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Nirmatrelvir_REAC.pdb
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REMARK Accelrys Discovery Studio PDB file
REMARK Created: Fri Feb 24 10:05:02 Kaliningrad Standard Time 2023
CRYST1 57.148 40.610 49.562 90.00 90.00 90.00 PM
HETATM 1 NK UNK 401 -13.868 -1.445 7.177 0.00 0.00 N
HETATM 2 HK UNK 401 -14.040 -1.989 6.333 0.00 0.00 H
HETATM 3 CK1 UNK 401 -12.650 -1.077 7.589 0.00 0.00 C
HETATM 4 OK1 UNK 401 -11.591 -1.333 7.018 0.00 0.00 O
HETATM 5 CK2 UNK 401 -12.803 -0.327 8.911 0.00 0.00 C
HETATM 6 HK2 UNK 401 -12.609 0.738 8.737 0.00 0.00 H
HETATM 7 CK3 UNK 401 -14.279 -0.534 9.276 0.00 0.00 C
HETATM 8 2HK3 UNK 401 -14.375 -1.374 9.972 0.00 0.00 H
HETATM 9 3HK3 UNK 401 -14.722 0.344 9.749 0.00 0.00 H
HETATM 10 CK4 UNK 401 -14.963 -0.921 7.964 0.00 0.00 C
HETATM 11 2HK4 UNK 401 -15.425 -0.059 7.468 0.00 0.00 H
HETATM 12 3HK4 UNK 401 -15.731 -1.684 8.102 0.00 0.00 H
HETATM 13 CK5 UNK 401 -11.797 -0.893 9.916 0.00 0.00 C
HETATM 14 2HK5 UNK 401 -10.778 -0.567 9.675 0.00 0.00 H
HETATM 15 3HK5 UNK 401 -11.800 -1.986 9.850 0.00 0.00 H
HETATM 16 CK6 UNK 401 -12.123 -0.480 11.359 0.00 0.00 C
HETATM 17 HK6 UNK 401 -13.188 -0.648 11.569 0.00 0.00 H
HETATM 18 CK7 UNK 401 -11.438 -1.402 12.280 0.00 0.00 C
HETATM 19 NK7 UNK 401 -11.117 -2.349 12.871 0.00 0.00 N
HETATM 20 NK8 UNK 401 -11.903 0.910 11.605 0.00 0.00 N
HETATM 21 HK8 UNK 401 -10.981 1.310 11.426 0.00 0.00 H
HETATM 22 CK8 UNK 401 -12.936 1.738 11.836 0.00 0.00 C
HETATM 23 OK8 UNK 401 -14.102 1.368 11.962 0.00 0.00 O
HETATM 24 CK9 UNK 401 -12.543 3.197 11.954 0.00 0.00 C
HETATM 25 HK9 UNK 401 -11.655 3.378 11.342 0.00 0.00 H
HETATM 26 NL1 UNK 401 -13.641 4.031 11.503 0.00 0.00 N
HETATM 27 CL2 UNK 401 -14.282 4.793 12.581 0.00 0.00 C
HETATM 28 2HL2 UNK 401 -14.375 5.844 12.283 0.00 0.00 H
HETATM 29 3HL2 UNK 401 -15.281 4.388 12.787 0.00 0.00 H
HETATM 30 CL3 UNK 401 -13.366 4.591 13.771 0.00 0.00 C
HETATM 31 HL3 UNK 401 -13.814 4.519 14.761 0.00 0.00 H
HETATM 32 CL4 UNK 401 -12.309 3.587 13.393 0.00 0.00 C
HETATM 33 HL4 UNK 401 -11.997 2.813 14.090 0.00 0.00 H
HETATM 34 CL5 UNK 401 -11.919 5.016 13.664 0.00 0.00 C
HETATM 35 CL6 UNK 401 -11.455 5.929 12.554 0.00 0.00 C
HETATM 36 2HL6 UNK 401 -11.997 5.800 11.614 0.00 0.00 H
HETATM 37 3HL6 UNK 401 -10.390 5.759 12.356 0.00 0.00 H
HETATM 38 4HL6 UNK 401 -11.583 6.972 12.847 0.00 0.00 H
HETATM 39 CL7 UNK 401 -11.189 5.237 14.968 0.00 0.00 C
HETATM 40 2HL7 UNK 401 -10.109 5.152 14.807 0.00 0.00 H
HETATM 41 3HL7 UNK 401 -11.395 6.234 15.370 0.00 0.00 H
HETATM 42 4HL7 UNK 401 -11.468 4.484 15.713 0.00 0.00 H
HETATM 43 CM1 UNK 401 -14.024 3.914 10.219 0.00 0.00 C
HETATM 44 OM1 UNK 401 -13.423 3.154 9.448 0.00 0.00 O
HETATM 45 CM2 UNK 401 -15.198 4.756 9.735 0.00 0.00 C
HETATM 46 HM2 UNK 401 -15.562 5.389 10.545 0.00 0.00 H
HETATM 47 NM3 UNK 401 -14.699 5.670 8.726 0.00 0.00 N
HETATM 48 HM3 UNK 401 -14.413 5.300 7.815 0.00 0.00 H
HETATM 49 CM4 UNK 401 -14.503 6.971 8.985 0.00 0.00 C
HETATM 50 OM4 UNK 401 -14.810 7.575 10.005 0.00 0.00 O
HETATM 51 CM5 UNK 401 -13.763 7.700 7.850 0.00 0.00 C
HETATM 52 2FM5 UNK 401 -12.560 7.144 7.679 0.00 0.00 F
HETATM 53 3FM5 UNK 401 -13.593 8.984 8.106 0.00 0.00 F
HETATM 54 4FM5 UNK 401 -14.445 7.598 6.698 0.00 0.00 F
HETATM 55 CN1 UNK 401 -16.396 3.881 9.282 0.00 0.00 C
HETATM 56 CN2 UNK 401 -17.517 4.823 8.863 0.00 0.00 C
HETATM 57 2HN2 UNK 401 -18.418 4.250 8.627 0.00 0.00 H
HETATM 58 3HN2 UNK 401 -17.225 5.392 7.981 0.00 0.00 H
HETATM 59 4HN2 UNK 401 -17.751 5.535 9.657 0.00 0.00 H
HETATM 60 CN3 UNK 401 -16.841 3.058 10.491 0.00 0.00 C
HETATM 61 2HN3 UNK 401 -16.048 2.401 10.867 0.00 0.00 H
HETATM 62 3HN3 UNK 401 -17.167 3.703 11.317 0.00 0.00 H
HETATM 63 4HN3 UNK 401 -17.689 2.430 10.199 0.00 0.00 H
HETATM 64 CN4 UNK 401 -16.085 2.948 8.111 0.00 0.00 C
HETATM 65 2HN4 UNK 401 -15.261 2.269 8.339 0.00 0.00 H
HETATM 66 3HN4 UNK 401 -15.843 3.503 7.201 0.00 0.00 H
HETATM 67 4HN4 UNK 401 -16.978 2.354 7.884 0.00 0.00 H
ATOM 68 N SER 1 7.716 -16.295 -17.040 0.00 0.18 N
ATOM 69 H2 SER 1 7.689 -16.968 -16.283 0.00 0.19 H
ATOM 70 H3 SER 1 7.925 -15.378 -16.663 0.00 0.19 H
ATOM 71 H4 SER 1 8.446 -16.562 -17.688 0.00 0.19 H
ATOM 72 CA SER 1 6.415 -16.267 -17.735 0.00 0.06 C
ATOM 73 HA SER 1 6.422 -15.448 -18.453 0.00 0.08 H
ATOM 74 CB SER 1 6.181 -17.573 -18.494 0.00 0.26 C
ATOM 75 HB2 SER 1 5.183 -17.577 -18.935 0.00 0.03 H
ATOM 76 HB3 SER 1 6.914 -17.665 -19.295 0.00 0.03 H
ATOM 77 OG SER 1 6.317 -18.669 -17.614 0.00 -0.67 O
ATOM 78 HG SER 1 6.199 -19.486 -18.110 0.00 0.42 H
ATOM 79 C SER 1 5.286 -16.009 -16.748 0.00 0.62 C
ATOM 80 O SER 1 5.496 -16.107 -15.537 0.00 -0.57 O
ATOM 81 N GLY 2 4.089 -15.691 -17.254 0.00 -0.42 N
ATOM 82 H GLY 2 3.998 -15.599 -18.261 0.00 0.27 H
ATOM 83 CA GLY 2 2.902 -15.357 -16.460 0.00 -0.03 C
ATOM 84 HA2 GLY 2 2.751 -16.111 -15.686 0.00 0.07 H
ATOM 85 HA3 GLY 2 2.032 -15.367 -17.114 0.00 0.07 H
ATOM 86 C GLY 2 2.976 -13.984 -15.784 0.00 0.60 C
ATOM 87 O GLY 2 4.058 -13.455 -15.519 0.00 -0.57 O
ATOM 88 N PHE 3 1.820 -13.393 -15.477 0.00 -0.42 N
ATOM 89 H PHE 3 0.950 -13.882 -15.658 0.00 0.27 H
ATOM 90 CA PHE 3 1.764 -12.111 -14.771 0.00 0.00 C
ATOM 91 HA PHE 3 2.525 -12.116 -13.994 0.00 0.10 H
ATOM 92 CB PHE 3 2.085 -10.968 -15.744 0.00 -0.03 C
ATOM 93 HB2 PHE 3 2.799 -11.302 -16.496 0.00 0.03 H
ATOM 94 HB3 PHE 3 1.180 -10.677 -16.271 0.00 0.03 H
ATOM 95 CG PHE 3 2.678 -9.769 -15.041 0.00 0.01 C
ATOM 96 CD1 PHE 3 1.850 -8.756 -14.525 0.00 -0.13 C
ATOM 97 HD1 PHE 3 0.777 -8.815 -14.634 0.00 0.13 H
ATOM 98 CE1 PHE 3 2.419 -7.660 -13.858 0.00 -0.17 C
ATOM 99 HE1 PHE 3 1.783 -6.872 -13.486 0.00 0.14 H
ATOM 100 CZ PHE 3 3.809 -7.589 -13.672 0.00 -0.11 C
ATOM 101 HZ PHE 3 4.237 -6.758 -13.130 0.00 0.13 H
ATOM 102 CE2 PHE 3 4.636 -8.596 -14.196 0.00 -0.17 C
ATOM 103 HE2 PHE 3 5.706 -8.533 -14.088 0.00 0.14 H
ATOM 104 CD2 PHE 3 4.072 -9.689 -14.873 0.00 -0.13 C
ATOM 105 HD2 PHE 3 4.710 -10.470 -15.262 0.00 0.13 H
ATOM 106 C PHE 3 0.412 -11.862 -14.098 0.00 0.60 C
ATOM 107 O PHE 3 -0.634 -11.997 -14.731 0.00 -0.57 O
ATOM 108 N ARG 4 0.447 -11.464 -12.823 0.00 -0.35 N
ATOM 109 H ARG 4 1.367 -11.394 -12.399 0.00 0.27 H
ATOM 110 CA ARG 4 -0.697 -11.037 -11.995 0.00 -0.26 C
ATOM 111 HA ARG 4 -1.328 -10.363 -12.578 0.00 0.16 H
ATOM 112 CB ARG 4 -1.539 -12.263 -11.581 0.00 0.00 C
ATOM 113 HB2 ARG 4 -2.391 -11.915 -11.000 0.00 0.03 H
ATOM 114 HB3 ARG 4 -1.933 -12.739 -12.479 0.00 0.03 H
ATOM 115 CG ARG 4 -0.772 -13.322 -10.768 0.00 0.04 C
ATOM 116 HG2 ARG 4 -0.002 -13.760 -11.400 0.00 0.03 H
ATOM 117 HG3 ARG 4 -0.282 -12.866 -9.909 0.00 0.03 H
ATOM 118 CD ARG 4 -1.702 -14.444 -10.287 0.00 0.05 C
ATOM 119 HD2 ARG 4 -2.333 -14.750 -11.122 0.00 0.07 H
ATOM 120 HD3 ARG 4 -1.092 -15.297 -9.983 0.00 0.07 H
ATOM 121 NE ARG 4 -2.538 -14.022 -9.146 0.00 -0.53 N
ATOM 122 HE ARG 4 -2.298 -13.148 -8.699 0.00 0.35 H
ATOM 123 CZ ARG 4 -3.610 -14.635 -8.669 0.00 0.81 C
ATOM 124 NH1 ARG 4 -4.125 -15.715 -9.176 0.00 -0.86 N
ATOM 125 2HH1 ARG 4 -4.970 -16.078 -8.765 0.00 0.45 H
ATOM 126 3HH1 ARG 4 -3.696 -16.162 -9.982 0.00 0.45 H
ATOM 127 NH2 ARG 4 -4.220 -14.161 -7.630 0.00 -0.86 N
ATOM 128 2HH2 ARG 4 -5.069 -14.616 -7.308 0.00 0.45 H
ATOM 129 3HH2 ARG 4 -3.820 -13.381 -7.130 0.00 0.45 H
ATOM 130 C ARG 4 -0.213 -10.274 -10.756 0.00 0.73 C
ATOM 131 O ARG 4 0.980 -10.310 -10.444 0.00 -0.59 O
ATOM 132 N LYS 5 -1.118 -9.650 -9.994 0.00 -0.35 N
ATOM 133 H LYS 5 -2.083 -9.639 -10.307 0.00 0.27 H
ATOM 134 CA LYS 5 -0.807 -9.177 -8.631 0.00 -0.24 C
ATOM 135 HA LYS 5 0.017 -8.463 -8.677 0.00 0.14 H
ATOM 136 CB LYS 5 -2.017 -8.472 -8.001 0.00 -0.01 C
ATOM 137 HB2 LYS 5 -2.913 -9.078 -8.127 0.00 0.04 H
ATOM 138 HB3 LYS 5 -1.836 -8.346 -6.933 0.00 0.04 H
ATOM 139 CG LYS 5 -2.217 -7.088 -8.633 0.00 0.02 C
ATOM 140 HG2 LYS 5 -1.275 -6.539 -8.583 0.00 0.01 H
ATOM 141 HG3 LYS 5 -2.496 -7.199 -9.681 0.00 0.01 H
ATOM 142 CD LYS 5 -3.282 -6.253 -7.921 0.00 -0.05 C
ATOM 143 HD2 LYS 5 -3.051 -6.203 -6.857 0.00 0.06 H
ATOM 144 HD3 LYS 5 -3.227 -5.246 -8.329 0.00 0.06 H
ATOM 145 CE LYS 5 -4.702 -6.790 -8.123 0.00 -0.01 C
ATOM 146 HE2 LYS 5 -4.921 -6.811 -9.194 0.00 0.11 H
ATOM 147 HE3 LYS 5 -4.769 -7.809 -7.734 0.00 0.11 H
ATOM 148 NZ LYS 5 -5.684 -5.926 -7.434 0.00 -0.39 N1+
ATOM 149 HZ2 LYS 5 -5.582 -6.006 -6.425 0.00 0.34 H
ATOM 150 HZ3 LYS 5 -5.553 -4.947 -7.690 0.00 0.34 H
ATOM 151 HZ4 LYS 5 -6.640 -6.184 -7.666 0.00 0.34 H
ATOM 152 C LYS 5 -0.320 -10.356 -7.789 0.00 0.73 C
ATOM 153 O LYS 5 -0.948 -11.419 -7.793 0.00 -0.59 O
ATOM 154 N MET 6 0.817 -10.195 -7.118 0.00 -0.42 N
ATOM 155 H MET 6 1.276 -9.289 -7.172 0.00 0.27 H
ATOM 156 CA MET 6 1.566 -11.303 -6.518 0.00 -0.02 C
ATOM 157 HA MET 6 0.879 -12.100 -6.240 0.00 0.09 H
ATOM 158 CB MET 6 2.545 -11.856 -7.569 0.00 0.03 C
ATOM 159 HB2 MET 6 1.990 -12.130 -8.467 0.00 0.02 H
ATOM 160 HB3 MET 6 3.249 -11.072 -7.849 0.00 0.02 H
ATOM 161 CG MET 6 3.336 -13.081 -7.093 0.00 0.00 C
ATOM 162 HG2 MET 6 3.975 -13.408 -7.913 0.00 0.04 H
ATOM 163 HG3 MET 6 3.985 -12.772 -6.275 0.00 0.04 H
ATOM 164 SD MET 6 2.380 -14.521 -6.529 0.00 -0.27 S
ATOM 165 CE MET 6 1.276 -14.791 -7.941 0.00 -0.05 C
ATOM 166 HE2 MET 6 1.857 -14.842 -8.862 0.00 0.07 H
ATOM 167 HE3 MET 6 0.735 -15.728 -7.806 0.00 0.07 H
ATOM 168 HE4 MET 6 0.559 -13.974 -8.007 0.00 0.07 H
ATOM 169 C MET 6 2.285 -10.828 -5.253 0.00 0.60 C
ATOM 170 O MET 6 3.273 -10.096 -5.331 0.00 -0.57 O
ATOM 171 N ALA 7 1.766 -11.190 -4.082 0.00 -0.42 N
ATOM 172 H ALA 7 0.986 -11.836 -4.076 0.00 0.27 H
ATOM 173 CA ALA 7 2.296 -10.732 -2.799 0.00 0.03 C
ATOM 174 HA ALA 7 2.345 -9.648 -2.831 0.00 0.08 H
ATOM 175 CB ALA 7 1.316 -11.132 -1.690 0.00 -0.18 C
ATOM 176 HB2 ALA 7 1.678 -10.766 -0.728 0.00 0.06 H
ATOM 177 HB3 ALA 7 0.336 -10.694 -1.884 0.00 0.06 H
ATOM 178 HB4 ALA 7 1.231 -12.217 -1.642 0.00 0.06 H
ATOM 179 C ALA 7 3.718 -11.252 -2.505 0.00 0.60 C
ATOM 180 O ALA 7 4.102 -12.333 -2.958 0.00 -0.57 O
ATOM 181 N PHE 8 4.475 -10.516 -1.689 0.00 -0.42 N
ATOM 182 H PHE 8 4.089 -9.641 -1.352 0.00 0.27 H
ATOM 183 CA PHE 8 5.664 -11.032 -1.004 0.00 0.00 C
ATOM 184 HA PHE 8 6.350 -11.431 -1.752 0.00 0.10 H
ATOM 185 CB PHE 8 6.356 -9.882 -0.251 0.00 -0.03 C
ATOM 186 HB2 PHE 8 5.633 -9.423 0.424 0.00 0.03 H
ATOM 187 HB3 PHE 8 7.153 -10.295 0.367 0.00 0.03 H
ATOM 188 CG PHE 8 6.964 -8.802 -1.127 0.00 0.01 C
ATOM 189 CD1 PHE 8 8.216 -9.002 -1.738 0.00 -0.13 C
ATOM 190 HD1 PHE 8 8.741 -9.938 -1.606 0.00 0.13 H
ATOM 191 CE1 PHE 8 8.787 -7.987 -2.527 0.00 -0.17 C
ATOM 192 HE1 PHE 8 9.743 -8.151 -3.006 0.00 0.14 H
ATOM 193 CZ PHE 8 8.108 -6.771 -2.717 0.00 -0.11 C
ATOM 194 HZ PHE 8 8.542 -5.997 -3.338 0.00 0.13 H
ATOM 195 CE2 PHE 8 6.849 -6.580 -2.127 0.00 -0.17 C
ATOM 196 HE2 PHE 8 6.300 -5.667 -2.296 0.00 0.14 H
ATOM 197 CD2 PHE 8 6.288 -7.583 -1.321 0.00 -0.13 C
ATOM 198 HD2 PHE 8 5.333 -7.410 -0.849 0.00 0.13 H
ATOM 199 C PHE 8 5.273 -12.155 -0.014 0.00 0.60 C
ATOM 200 O PHE 8 4.119 -12.207 0.433 0.00 -0.57 O
ATOM 201 N PRO 9 6.201 -13.052 0.372 0.00 -0.25 N
ATOM 202 CA PRO 9 5.977 -14.016 1.451 0.00 -0.03 C
ATOM 203 HA PRO 9 5.247 -14.746 1.107 0.00 0.06 H
ATOM 204 CB PRO 9 7.324 -14.718 1.661 0.00 -0.01 C
ATOM 205 HB2 PRO 9 7.193 -15.765 1.937 0.00 0.03 H
ATOM 206 HB3 PRO 9 7.905 -14.195 2.420 0.00 0.03 H
ATOM 207 CG PRO 9 8.025 -14.571 0.312 0.00 0.02 C
ATOM 208 HG2 PRO 9 7.681 -15.351 -0.368 0.00 0.02 H
ATOM 209 HG3 PRO 9 9.111 -14.597 0.412 0.00 0.02 H
ATOM 210 CD PRO 9 7.536 -13.212 -0.182 0.00 0.02 C
ATOM 211 HD2 PRO 9 8.190 -12.426 0.197 0.00 0.04 H
ATOM 212 HD3 PRO 9 7.522 -13.200 -1.272 0.00 0.04 H
ATOM 213 C PRO 9 5.483 -13.341 2.741 0.00 0.59 C
ATOM 214 O PRO 9 6.081 -12.362 3.190 0.00 -0.57 O
ATOM 215 N SER 10 4.423 -13.857 3.369 0.00 -0.42 N
ATOM 216 H SER 10 3.929 -14.633 2.939 0.00 0.27 H
ATOM 217 CA SER 10 3.846 -13.283 4.599 0.00 -0.02 C
ATOM 218 HA SER 10 4.069 -12.216 4.622 0.00 0.08 H
ATOM 219 CB SER 10 2.318 -13.411 4.572 0.00 0.21 C
ATOM 220 HB2 SER 10 1.901 -13.042 5.509 0.00 0.04 H
ATOM 221 HB3 SER 10 1.938 -12.792 3.762 0.00 0.04 H
ATOM 222 OG SER 10 1.893 -14.743 4.352 0.00 -0.65 O
ATOM 223 HG SER 10 2.021 -15.254 5.196 0.00 0.43 H
ATOM 224 C SER 10 4.404 -13.865 5.906 0.00 0.60 C
ATOM 225 O SER 10 4.177 -13.279 6.964 0.00 -0.57 O
ATOM 226 N GLY 11 5.145 -14.978 5.860 0.00 -0.42 N
ATOM 227 H GLY 11 5.248 -15.418 4.954 0.00 0.27 H
ATOM 228 CA GLY 11 5.588 -15.751 7.032 0.00 -0.03 C
ATOM 229 HA2 GLY 11 6.293 -16.508 6.691 0.00 0.07 H
ATOM 230 HA3 GLY 11 4.721 -16.266 7.448 0.00 0.07 H
ATOM 231 C GLY 11 6.262 -14.976 8.177 0.00 0.60 C
ATOM 232 O GLY 11 6.069 -15.328 9.343 0.00 -0.57 O
ATOM 233 N LYS 12 7.033 -13.916 7.899 0.00 -0.35 N
ATOM 234 H LYS 12 7.170 -13.660 6.922 0.00 0.27 H
ATOM 235 CA LYS 12 7.573 -13.024 8.944 0.00 -0.24 C
ATOM 236 HA LYS 12 7.966 -13.621 9.768 0.00 0.14 H
ATOM 237 CB LYS 12 8.692 -12.128 8.391 0.00 -0.01 C
ATOM 238 HB2 LYS 12 8.302 -11.516 7.576 0.00 0.04 H
ATOM 239 HB3 LYS 12 9.006 -11.453 9.187 0.00 0.04 H
ATOM 240 CG LYS 12 9.934 -12.871 7.887 0.00 0.02 C
ATOM 241 HG2 LYS 12 9.686 -13.417 6.978 0.00 0.01 H
ATOM 242 HG3 LYS 12 10.679 -12.117 7.642 0.00 0.01 H
ATOM 243 CD LYS 12 10.520 -13.850 8.915 0.00 -0.05 C
ATOM 244 HD2 LYS 12 10.521 -13.383 9.901 0.00 0.06 H
ATOM 245 HD3 LYS 12 9.886 -14.736 8.959 0.00 0.06 H
ATOM 246 CE LYS 12 11.956 -14.278 8.595 0.00 -0.01 C
ATOM 247 HE2 LYS 12 12.626 -13.431 8.764 0.00 0.11 H
ATOM 248 HE3 LYS 12 12.240 -15.077 9.286 0.00 0.11 H
ATOM 249 NZ LYS 12 12.108 -14.745 7.199 0.00 -0.39 N1+
ATOM 250 HZ2 LYS 12 11.439 -15.472 6.969 0.00 0.34 H
ATOM 251 HZ3 LYS 12 11.985 -13.960 6.560 0.00 0.34 H
ATOM 252 HZ4 LYS 12 13.048 -15.095 7.047 0.00 0.34 H
ATOM 253 C LYS 12 6.493 -12.134 9.543 0.00 0.73 C
ATOM 254 O LYS 12 6.400 -12.032 10.762 0.00 -0.59 O
ATOM 255 N VAL 13 5.660 -11.519 8.706 0.00 -0.42 N
ATOM 256 H VAL 13 5.746 -11.737 7.722 0.00 0.27 H
ATOM 257 CA VAL 13 4.558 -10.635 9.125 0.00 -0.09 C
ATOM 258 HA VAL 13 4.976 -9.835 9.736 0.00 0.10 H
ATOM 259 CB VAL 13 3.861 -9.993 7.908 0.00 0.30 C
ATOM 260 HB VAL 13 3.270 -10.747 7.392 0.00 -0.03 H
ATOM 261 CG1 VAL 13 2.933 -8.853 8.346 0.00 -0.32 C
ATOM 262 2HG1 VAL 13 2.231 -9.197 9.102 0.00 0.08 H
ATOM 263 3HG1 VAL 13 3.508 -8.036 8.772 0.00 0.08 H
ATOM 264 4HG1 VAL 13 2.371 -8.485 7.487 0.00 0.08 H
ATOM 265 CG2 VAL 13 4.866 -9.415 6.903 0.00 -0.32 C
ATOM 266 2HG2 VAL 13 4.330 -8.868 6.130 0.00 0.08 H
ATOM 267 3HG2 VAL 13 5.560 -8.739 7.400 0.00 0.08 H
ATOM 268 4HG2 VAL 13 5.423 -10.214 6.414 0.00 0.08 H
ATOM 269 C VAL 13 3.550 -11.400 9.991 0.00 0.60 C
ATOM 270 O VAL 13 3.182 -10.929 11.062 0.00 -0.57 O
ATOM 271 N GLU 14 3.211 -12.634 9.609 0.00 -0.52 N
ATOM 272 H GLU 14 3.547 -12.953 8.703 0.00 0.29 H
ATOM 273 CA GLU 14 2.410 -13.581 10.406 0.00 0.04 C
ATOM 274 HA GLU 14 1.426 -13.149 10.590 0.00 0.11 H
ATOM 275 CB GLU 14 2.234 -14.889 9.622 0.00 0.06 C
ATOM 276 HB2 GLU 14 3.218 -15.262 9.333 0.00 -0.02 H
ATOM 277 HB3 GLU 14 1.765 -15.632 10.268 0.00 -0.02 H
ATOM 278 CG GLU 14 1.367 -14.729 8.370 0.00 0.01 C
ATOM 279 HG2 GLU 14 0.343 -14.508 8.662 0.00 -0.04 H
ATOM 280 HG3 GLU 14 1.729 -13.900 7.763 0.00 -0.04 H
ATOM 281 CD GLU 14 1.394 -16.013 7.549 0.00 0.81 C
ATOM 282 OE1 GLU 14 0.707 -16.992 7.919 0.00 -0.82 O
ATOM 283 OE2 GLU 14 2.118 -16.055 6.528 0.00 -0.82 O
ATOM 284 C GLU 14 3.021 -13.908 11.780 0.00 0.54 C
ATOM 285 O GLU 14 2.302 -14.286 12.703 0.00 -0.58 O
ATOM 286 N GLY 15 4.336 -13.737 11.941 0.00 -0.42 N
ATOM 287 H GLY 15 4.876 -13.444 11.137 0.00 0.27 H
ATOM 288 CA GLY 15 5.035 -13.838 13.222 0.00 -0.03 C
ATOM 289 HA2 GLY 15 6.049 -14.181 13.025 0.00 0.07 H
ATOM 290 HA3 GLY 15 4.531 -14.562 13.858 0.00 0.07 H
ATOM 291 C GLY 15 5.127 -12.514 13.985 0.00 0.60 C
ATOM 292 O GLY 15 5.277 -12.510 15.208 0.00 -0.57 O
ATOM 293 N CYS 16 4.996 -11.383 13.296 0.00 -0.42 N
ATOM 294 H CYS 16 4.864 -11.449 12.294 0.00 0.27 H
ATOM 295 CA CYS 16 4.987 -10.053 13.899 0.00 0.02 C
ATOM 296 HA CYS 16 5.666 -10.031 14.751 0.00 0.11 H
ATOM 297 CB CYS 16 5.509 -9.039 12.875 0.00 -0.12 C
ATOM 298 HB2 CYS 16 4.845 -9.012 12.010 0.00 0.11 H
ATOM 299 HB3 CYS 16 5.538 -8.052 13.338 0.00 0.11 H
ATOM 300 SG CYS 16 7.191 -9.480 12.354 0.00 -0.31 S
ATOM 301 HG CYS 16 6.912 -10.723 11.933 0.00 0.19 H
ATOM 302 C CYS 16 3.600 -9.646 14.427 0.00 0.60 C
ATOM 303 O CYS 16 3.533 -8.839 15.345 0.00 -0.57 O
ATOM 304 N MET 17 2.493 -10.183 13.899 0.00 -0.42 N
ATOM 305 H MET 17 2.583 -10.772 13.080 0.00 0.27 H
ATOM 306 CA MET 17 1.149 -9.800 14.364 0.00 -0.02 C
ATOM 307 HA MET 17 1.069 -8.716 14.281 0.00 0.09 H
ATOM 308 CB MET 17 0.043 -10.433 13.503 0.00 0.03 C
ATOM 309 HB2 MET 17 0.092 -11.518 13.596 0.00 0.02 H
ATOM 310 HB3 MET 17 -0.919 -10.111 13.900 0.00 0.02 H
ATOM 311 CG MET 17 0.088 -10.058 12.017 0.00 0.00 C
ATOM 312 HG2 MET 17 0.817 -10.700 11.528 0.00 0.04 H
ATOM 313 HG3 MET 17 -0.882 -10.284 11.575 0.00 0.04 H
ATOM 314 SD MET 17 0.516 -8.334 11.636 0.00 -0.27 S
ATOM 315 CE MET 17 -0.865 -7.442 12.409 0.00 -0.05 C
ATOM 316 HE2 MET 17 -1.799 -7.705 11.915 0.00 0.07 H
ATOM 317 HE3 MET 17 -0.937 -7.700 13.464 0.00 0.07 H
ATOM 318 HE4 MET 17 -0.701 -6.368 12.316 0.00 0.07 H
ATOM 319 C MET 17 0.884 -10.156 15.835 0.00 0.60 C
ATOM 320 O MET 17 1.293 -11.220 16.315 0.00 -0.57 O
ATOM 321 N VAL 18 0.105 -9.312 16.513 0.00 -0.42 N
ATOM 322 H VAL 18 -0.144 -8.443 16.046 0.00 0.27 H
ATOM 323 CA VAL 18 -0.448 -9.495 17.870 0.00 -0.09 C
ATOM 324 HA VAL 18 -0.587 -10.559 18.059 0.00 0.10 H
ATOM 325 CB VAL 18 0.502 -8.934 18.956 0.00 0.30 C
ATOM 326 HB VAL 18 0.038 -9.073 19.930 0.00 -0.03 H
ATOM 327 CG1 VAL 18 1.820 -9.704 18.987 0.00 -0.32 C
ATOM 328 2HG1 VAL 18 2.412 -9.471 18.104 0.00 0.08 H
ATOM 329 3HG1 VAL 18 2.384 -9.437 19.882 0.00 0.08 H
ATOM 330 4HG1 VAL 18 1.617 -10.771 18.993 0.00 0.08 H
ATOM 331 CG2 VAL 18 0.814 -7.441 18.805 0.00 -0.32 C
ATOM 332 2HG2 VAL 18 1.365 -7.261 17.882 0.00 0.08 H
ATOM 333 3HG2 VAL 18 -0.107 -6.858 18.801 0.00 0.08 H
ATOM 334 4HG2 VAL 18 1.423 -7.122 19.649 0.00 0.08 H
ATOM 335 C VAL 18 -1.830 -8.834 17.988 0.00 0.60 C
ATOM 336 O VAL 18 -2.302 -8.197 17.049 0.00 -0.57 O
ATOM 337 N GLN 19 -2.469 -8.957 19.152 0.00 -0.42 N
ATOM 338 H GLN 19 -2.008 -9.489 19.881 0.00 0.27 H
ATOM 339 CA GLN 19 -3.698 -8.265 19.551 0.00 0.00 C
ATOM 340 HA GLN 19 -4.111 -7.718 18.704 0.00 0.09 H
ATOM 341 CB GLN 19 -4.712 -9.316 20.028 0.00 0.00 C
ATOM 342 HB2 GLN 19 -4.757 -10.125 19.305 0.00 0.02 H
ATOM 343 HB3 GLN 19 -4.356 -9.737 20.970 0.00 0.02 H
ATOM 344 CG GLN 19 -6.140 -8.779 20.219 0.00 -0.06 C
ATOM 345 HG2 GLN 19 -6.141 -7.993 20.972 0.00 0.04 H
ATOM 346 HG3 GLN 19 -6.493 -8.361 19.276 0.00 0.04 H
ATOM 347 CD GLN 19 -7.099 -9.880 20.672 0.00 0.70 C
ATOM 348 OE1 GLN 19 -6.716 -10.821 21.358 0.00 -0.61 O
ATOM 349 NE2 GLN 19 -8.359 -9.834 20.303 0.00 -0.94 N
ATOM 350 2HE2 GLN 19 -8.975 -10.586 20.602 0.00 0.43 H
ATOM 351 3HE2 GLN 19 -8.751 -9.043 19.798 0.00 0.43 H
ATOM 352 C GLN 19 -3.374 -7.290 20.693 0.00 0.60 C
ATOM 353 O GLN 19 -2.518 -7.598 21.522 0.00 -0.57 O
ATOM 354 N VAL 20 -4.066 -6.151 20.763 0.00 -0.42 N
ATOM 355 H VAL 20 -4.751 -5.976 20.033 0.00 0.27 H
ATOM 356 CA VAL 20 -3.858 -5.065 21.734 0.00 -0.09 C
ATOM 357 HA VAL 20 -3.361 -5.471 22.612 0.00 0.10 H
ATOM 358 CB VAL 20 -2.965 -3.948 21.141 0.00 0.30 C
ATOM 359 HB VAL 20 -3.510 -3.436 20.352 0.00 -0.03 H
ATOM 360 CG1 VAL 20 -2.596 -2.911 22.210 0.00 -0.32 C
ATOM 361 2HG1 VAL 20 -1.870 -2.207 21.809 0.00 0.08 H
ATOM 362 3HG1 VAL 20 -3.471 -2.341 22.511 0.00 0.08 H
ATOM 363 4HG1 VAL 20 -2.175 -3.399 23.087 0.00 0.08 H
ATOM 364 CG2 VAL 20 -1.661 -4.475 20.524 0.00 -0.32 C
ATOM 365 2HG2 VAL 20 -1.881 -5.084 19.648 0.00 0.08 H
ATOM 366 3HG2 VAL 20 -1.036 -3.641 20.203 0.00 0.08 H
ATOM 367 4HG2 VAL 20 -1.118 -5.071 21.253 0.00 0.08 H
ATOM 368 C VAL 20 -5.204 -4.462 22.162 0.00 0.60 C
ATOM 369 O VAL 20 -6.120 -4.310 21.351 0.00 -0.57 O
ATOM 370 N THR 21 -5.320 -4.072 23.431 0.00 -0.42 N
ATOM 371 H THR 21 -4.541 -4.259 24.059 0.00 0.27 H
ATOM 372 CA THR 21 -6.458 -3.319 23.985 0.00 -0.04 C
ATOM 373 HA THR 21 -6.895 -2.717 23.195 0.00 0.10 H
ATOM 374 CB THR 21 -7.570 -4.265 24.467 0.00 0.37 C
ATOM 375 HB THR 21 -7.840 -4.917 23.647 0.00 0.00 H
ATOM 376 CG2 THR 21 -7.142 -5.128 25.649 0.00 -0.24 C
ATOM 377 2HG2 THR 21 -6.964 -4.508 26.528 0.00 0.06 H
ATOM 378 3HG2 THR 21 -7.917 -5.853 25.879 0.00 0.06 H
ATOM 379 4HG2 THR 21 -6.235 -5.673 25.391 0.00 0.06 H
ATOM 380 OG1 THR 21 -8.725 -3.543 24.834 0.00 -0.68 O
ATOM 381 HG1 THR 21 -9.172 -3.243 24.011 0.00 0.41 H
ATOM 382 C THR 21 -6.020 -2.376 25.113 0.00 0.60 C
ATOM 383 O THR 21 -4.922 -2.484 25.661 0.00 -0.57 O
ATOM 384 N CYS 22 -6.920 -1.465 25.477 0.00 -0.42 N
ATOM 385 H CYS 22 -7.783 -1.459 24.951 0.00 0.27 H
ATOM 386 CA CYS 22 -6.889 -0.665 26.700 0.00 0.02 C
ATOM 387 HA CYS 22 -6.292 -1.193 27.445 0.00 0.11 H
ATOM 388 CB CYS 22 -6.195 0.667 26.365 0.00 -0.12 C
ATOM 389 HB2 CYS 22 -5.339 0.465 25.720 0.00 0.11 H
ATOM 390 HB3 CYS 22 -6.879 1.326 25.829 0.00 0.11 H
ATOM 391 SG CYS 22 -5.572 1.480 27.865 0.00 -0.31 S
ATOM 392 HG CYS 22 -6.753 1.845 28.384 0.00 0.19 H
ATOM 393 C CYS 22 -8.322 -0.529 27.275 0.00 0.60 C
ATOM 394 O CYS 22 -8.666 0.484 27.896 0.00 -0.57 O
ATOM 395 N GLY 23 -9.198 -1.501 26.983 0.00 -0.42 N
ATOM 396 H GLY 23 -8.863 -2.317 26.479 0.00 0.27 H
ATOM 397 CA GLY 23 -10.598 -1.533 27.408 0.00 -0.03 C
ATOM 398 HA2 GLY 23 -11.030 -0.547 27.298 0.00 0.07 H
ATOM 399 HA3 GLY 23 -10.652 -1.818 28.459 0.00 0.07 H
ATOM 400 C GLY 23 -11.443 -2.518 26.598 0.00 0.60 C
ATOM 401 O GLY 23 -11.263 -3.732 26.709 0.00 -0.57 O
ATOM 402 N THR 24 -12.363 -2.002 25.774 0.00 -0.42 N
ATOM 403 H THR 24 -12.515 -1.000 25.830 0.00 0.27 H
ATOM 404 CA THR 24 -13.390 -2.819 25.081 0.00 -0.04 C
ATOM 405 HA THR 24 -13.254 -3.864 25.356 0.00 0.10 H
ATOM 406 CB THR 24 -14.804 -2.428 25.555 0.00 0.37 C
ATOM 407 HB THR 24 -15.122 -1.519 25.043 0.00 0.00 H
ATOM 408 CG2 THR 24 -15.829 -3.538 25.334 0.00 -0.24 C
ATOM 409 2HG2 THR 24 -15.559 -4.418 25.919 0.00 0.06 H
ATOM 410 3HG2 THR 24 -16.817 -3.193 25.640 0.00 0.06 H
ATOM 411 4HG2 THR 24 -15.870 -3.812 24.282 0.00 0.06 H
ATOM 412 OG1 THR 24 -14.787 -2.192 26.947 0.00 -0.68 O
ATOM 413 HG1 THR 24 -15.632 -1.768 27.192 0.00 0.41 H
ATOM 414 C THR 24 -13.270 -2.772 23.549 0.00 0.60 C
ATOM 415 O THR 24 -13.652 -3.723 22.864 0.00 -0.57 O
ATOM 416 N THR 25 -12.620 -1.728 23.001 0.00 -0.42 N
ATOM 417 H THR 25 -12.356 -0.980 23.639 0.00 0.27 H
ATOM 418 CA THR 25 -11.993 -1.750 21.794 0.00 0.00 C
ATOM 419 HA THR 25 -12.666 -2.186 21.050 0.00 0.00 H
ATOM 420 CB THR 25 -11.656 -0.319 21.311 0.00 0.00 C
ATOM 421 HB THR 25 -12.615 0.166 21.073 0.00 0.00 H
ATOM 422 CG2 THR 25 -10.897 0.540 22.307 0.00 0.00 C
ATOM 423 2HG2 THR 25 -10.635 1.500 21.855 0.00 0.00 H
ATOM 424 3HG2 THR 25 -11.527 0.756 23.178 0.00 0.00 H
ATOM 425 4HG2 THR 25 -9.987 0.033 22.635 0.00 0.00 H
ATOM 426 OG1 THR 25 -10.850 -0.368 20.130 0.00 0.00 O
ATOM 427 HG1 THR 25 -11.300 -1.006 19.496 0.00 0.00 H
ATOM 428 C THR 25 -10.737 -2.588 21.892 0.00 0.00 C
ATOM 429 O THR 25 -9.845 -2.388 22.724 0.00 0.00 O
ATOM 430 N THR 26 -10.656 -3.608 21.000 0.00 0.00 N
ATOM 431 H THR 26 -11.293 -3.638 20.209 0.00 0.00 H
ATOM 432 CA THR 26 -9.537 -4.495 20.976 0.00 0.00 C
ATOM 433 HA THR 26 -8.717 -4.050 21.539 0.00 0.00 H
ATOM 434 CB THR 26 -9.909 -5.906 21.708 0.00 0.37 C
ATOM 435 HB THR 26 -10.695 -6.385 21.133 0.00 0.00 H
ATOM 436 CG2 THR 26 -8.718 -6.861 21.761 0.00 -0.24 C
ATOM 437 2HG2 THR 26 -7.873 -6.415 22.274 0.00 0.06 H
ATOM 438 3HG2 THR 26 -9.013 -7.778 22.270 0.00 0.06 H
ATOM 439 4HG2 THR 26 -8.413 -7.096 20.746 0.00 0.06 H
ATOM 440 OG1 THR 26 -10.399 -5.715 23.019 0.00 -0.68 O
ATOM 441 HG1 THR 26 -11.352 -5.858 22.921 0.00 0.41 H
ATOM 442 C THR 26 -9.210 -4.741 19.510 0.00 0.00 C
ATOM 443 O THR 26 -10.088 -5.052 18.714 0.00 0.00 O
ATOM 444 N LEU 27 -7.933 -4.491 19.165 0.00 0.00 N
ATOM 445 H LEU 27 -7.228 -4.308 19.879 0.00 0.00 H
ATOM 446 CA LEU 27 -7.589 -4.413 17.780 0.00 0.00 C
ATOM 447 HA LEU 27 -8.338 -4.938 17.189 0.00 0.00 H
ATOM 448 CB LEU 27 -7.506 -2.979 17.300 0.00 -0.11 C
ATOM 449 HB2 LEU 27 -6.988 -2.955 16.340 0.00 0.05 H
ATOM 450 HB3 LEU 27 -8.533 -2.661 17.109 0.00 0.05 H
ATOM 451 CG LEU 27 -6.882 -1.901 18.210 0.00 0.35 C
ATOM 452 HG LEU 27 -7.422 -1.852 19.156 0.00 -0.04 H
ATOM 453 CD1 LEU 27 -5.408 -2.156 18.488 0.00 -0.41 C
ATOM 454 2HD1 LEU 27 -4.864 -2.195 17.550 0.00 0.10 H
ATOM 455 3HD1 LEU 27 -4.993 -1.359 19.101 0.00 0.10 H
ATOM 456 4HD1 LEU 27 -5.287 -3.097 19.017 0.00 0.10 H
ATOM 457 CD2 LEU 27 -7.020 -0.555 17.498 0.00 -0.41 C
ATOM 458 2HD2 LEU 27 -6.562 -0.601 16.510 0.00 0.10 H
ATOM 459 3HD2 LEU 27 -8.075 -0.305 17.395 0.00 0.10 H
ATOM 460 4HD2 LEU 27 -6.534 0.233 18.069 0.00 0.10 H
ATOM 461 C LEU 27 -6.155 -5.223 17.534 0.00 0.60 C
ATOM 462 O LEU 27 -5.546 -5.740 18.481 0.00 -0.57 O
ATOM 463 N ASN 28 -5.706 -5.325 16.277 0.00 -0.42 N
ATOM 464 H ASN 28 -6.219 -4.867 15.539 0.00 0.27 H
ATOM 465 CA ASN 28 -4.414 -5.923 15.964 0.00 0.01 C
ATOM 466 HA ASN 28 -4.278 -6.797 16.599 0.00 0.10 H
ATOM 467 CB ASN 28 -4.377 -6.389 14.501 0.00 -0.20 C
ATOM 468 HB2 ASN 28 -4.259 -5.524 13.853 0.00 0.08 H
ATOM 469 HB3 ASN 28 -3.511 -7.033 14.352 0.00 0.08 H
ATOM 470 CG ASN 28 -5.611 -7.157 14.077 0.00 0.71 C
ATOM 471 OD1 ASN 28 -5.810 -8.315 14.417 0.00 -0.59 O
ATOM 472 ND2 ASN 28 -6.452 -6.532 13.295 0.00 -0.92 N
ATOM 473 2HD2 ASN 28 -7.196 -7.078 12.872 0.00 0.42 H
ATOM 474 3HD2 ASN 28 -6.287 -5.559 13.077 0.00 0.42 H
ATOM 475 C ASN 28 -3.269 -4.935 16.241 0.00 0.60 C
ATOM 476 O ASN 28 -3.446 -3.718 16.280 0.00 -0.57 O
ATOM 477 N GLY 29 -2.056 -5.461 16.329 0.00 -0.42 N
ATOM 478 H GLY 29 -1.969 -6.472 16.297 0.00 0.27 H
ATOM 479 CA GLY 29 -0.828 -4.680 16.346 0.00 -0.03 C
ATOM 480 HA2 GLY 29 -0.598 -4.376 17.367 0.00 0.07 H
ATOM 481 HA3 GLY 29 -0.947 -3.784 15.736 0.00 0.07 H
ATOM 482 C GLY 29 0.341 -5.482 15.793 0.00 0.60 C
ATOM 483 O GLY 29 0.204 -6.658 15.451 0.00 -0.57 O
ATOM 484 N LEU 30 1.502 -4.843 15.739 0.00 -0.42 N
ATOM 485 H LEU 30 1.522 -3.880 16.060 0.00 0.27 H
ATOM 486 CA LEU 30 2.748 -5.412 15.236 0.00 -0.05 C
ATOM 487 HA LEU 30 2.573 -6.432 14.892 0.00 0.09 H
ATOM 488 CB LEU 30 3.208 -4.533 14.057 0.00 -0.11 C
ATOM 489 HB2 LEU 30 2.346 -4.273 13.439 0.00 0.05 H
ATOM 490 HB3 LEU 30 3.614 -3.603 14.459 0.00 0.05 H
ATOM 491 CG LEU 30 4.261 -5.196 13.158 0.00 0.35 C
ATOM 492 HG LEU 30 5.048 -5.633 13.772 0.00 -0.04 H
ATOM 493 CD1 LEU 30 3.632 -6.286 12.288 0.00 -0.41 C
ATOM 494 2HD1 LEU 30 2.790 -5.878 11.731 0.00 0.10 H
ATOM 495 3HD1 LEU 30 4.369 -6.670 11.585 0.00 0.10 H
ATOM 496 4HD1 LEU 30 3.267 -7.103 12.907 0.00 0.10 H
ATOM 497 CD2 LEU 30 4.886 -4.155 12.233 0.00 -0.41 C
ATOM 498 2HD2 LEU 30 5.339 -3.357 12.822 0.00 0.10 H
ATOM 499 3HD2 LEU 30 5.659 -4.626 11.630 0.00 0.10 H
ATOM 500 4HD2 LEU 30 4.137 -3.730 11.571 0.00 0.10 H
ATOM 501 C LEU 30 3.768 -5.437 16.379 0.00 0.60 C
ATOM 502 O LEU 30 3.915 -4.441 17.075 0.00 -0.57 O
ATOM 503 N TRP 31 4.465 -6.549 16.583 0.00 -0.42 N
ATOM 504 H TRP 31 4.264 -7.340 15.983 0.00 0.27 H
ATOM 505 CA TRP 31 5.377 -6.809 17.702 0.00 -0.03 C
ATOM 506 HA TRP 31 5.463 -5.925 18.334 0.00 0.11 H
ATOM 507 CB TRP 31 4.793 -7.955 18.540 0.00 -0.01 C
ATOM 508 HB2 TRP 31 3.814 -7.635 18.893 0.00 0.03 H
ATOM 509 HB3 TRP 31 4.641 -8.807 17.877 0.00 0.03 H
ATOM 510 CG TRP 31 5.552 -8.460 19.736 0.00 -0.14 C
ATOM 511 CD1 TRP 31 6.359 -7.744 20.556 0.00 -0.16 C
ATOM 512 HD1 TRP 31 6.593 -6.691 20.446 0.00 0.21 H
ATOM 513 NE1 TRP 31 6.840 -8.556 21.566 0.00 -0.34 N
ATOM 514 HE1 TRP 31 7.495 -8.249 22.278 0.00 0.34 H
ATOM 515 CE2 TRP 31 6.379 -9.845 21.443 0.00 0.14 C
ATOM 516 CZ2 TRP 31 6.600 -11.013 22.186 0.00 -0.26 C
ATOM 517 HZ2 TRP 31 7.225 -10.983 23.062 0.00 0.16 H
ATOM 518 CH2 TRP 31 6.017 -12.217 21.766 0.00 -0.11 C
ATOM 519 HH2 TRP 31 6.181 -13.126 22.329 0.00 0.14 H
ATOM 520 CZ3 TRP 31 5.214 -12.233 20.614 0.00 -0.20 C
ATOM 521 HZ3 TRP 31 4.755 -13.160 20.306 0.00 0.14 H
ATOM 522 CE3 TRP 31 4.990 -11.052 19.877 0.00 -0.24 C
ATOM 523 HE3 TRP 31 4.376 -11.082 18.990 0.00 0.17 H
ATOM 524 CD2 TRP 31 5.563 -9.823 20.274 0.00 0.12 C
ATOM 525 C TRP 31 6.753 -7.151 17.140 0.00 0.60 C
ATOM 526 O TRP 31 6.903 -8.104 16.372 0.00 -0.57 O
ATOM 527 N LEU 32 7.747 -6.332 17.472 0.00 -0.42 N
ATOM 528 H LEU 32 7.560 -5.597 18.151 0.00 0.27 H
ATOM 529 CA LEU 32 9.074 -6.345 16.864 0.00 -0.05 C
ATOM 530 HA LEU 32 9.280 -7.322 16.428 0.00 0.09 H
ATOM 531 CB LEU 32 9.145 -5.257 15.775 0.00 -0.11 C
ATOM 532 HB2 LEU 32 8.879 -4.303 16.230 0.00 0.05 H
ATOM 533 HB3 LEU 32 10.175 -5.182 15.431 0.00 0.05 H
ATOM 534 CG LEU 32 8.240 -5.480 14.552 0.00 0.35 C
ATOM 535 HG LEU 32 7.221 -5.695 14.869 0.00 -0.04 H
ATOM 536 CD1 LEU 32 8.203 -4.209 13.712 0.00 -0.41 C
ATOM 537 2HD1 LEU 32 7.752 -3.401 14.288 0.00 0.10 H
ATOM 538 3HD1 LEU 32 9.211 -3.924 13.425 0.00 0.10 H
ATOM 539 4HD1 LEU 32 7.618 -4.376 12.813 0.00 0.10 H
ATOM 540 CD2 LEU 32 8.745 -6.623 13.675 0.00 -0.41 C
ATOM 541 2HD2 LEU 32 8.706 -7.558 14.232 0.00 0.10 H
ATOM 542 3HD2 LEU 32 8.099 -6.719 12.804 0.00 0.10 H
ATOM 543 4HD2 LEU 32 9.767 -6.424 13.350 0.00 0.10 H
ATOM 544 C LEU 32 10.101 -6.074 17.959 0.00 0.60 C
ATOM 545 O LEU 32 10.068 -5.012 18.585 0.00 -0.57 O
ATOM 546 N ASP 33 10.990 -7.036 18.207 0.00 -0.52 N
ATOM 547 H ASP 33 10.965 -7.871 17.633 0.00 0.29 H
ATOM 548 CA ASP 33 11.721 -7.122 19.477 0.00 0.04 C
ATOM 549 HA ASP 33 12.151 -8.122 19.547 0.00 0.09 H
ATOM 550 CB ASP 33 12.900 -6.130 19.484 0.00 -0.03 C
ATOM 551 HB2 ASP 33 12.520 -5.109 19.517 0.00 -0.01 H
ATOM 552 HB3 ASP 33 13.499 -6.293 20.381 0.00 -0.01 H
ATOM 553 CG ASP 33 13.797 -6.301 18.256 0.00 0.80 C
ATOM 554 OD1 ASP 33 14.303 -7.429 18.038 0.00 -0.80 O
ATOM 555 OD2 ASP 33 14.001 -5.305 17.519 0.00 -0.80 O
ATOM 556 C ASP 33 10.736 -6.998 20.662 0.00 0.54 C
ATOM 557 O ASP 33 9.683 -7.633 20.640 0.00 -0.58 O
ATOM 558 N ASP 34 11.038 -6.228 21.706 0.00 -0.52 N
ATOM 559 H ASP 34 11.911 -5.710 21.697 0.00 0.29 H
ATOM 560 CA ASP 34 10.198 -6.065 22.904 0.00 0.04 C
ATOM 561 HA ASP 34 9.513 -6.909 22.967 0.00 0.09 H
ATOM 562 CB ASP 34 11.090 -6.132 24.151 0.00 -0.03 C
ATOM 563 HB2 ASP 34 10.450 -6.181 25.029 0.00 -0.01 H
ATOM 564 HB3 ASP 34 11.674 -7.051 24.126 0.00 -0.01 H
ATOM 565 CG ASP 34 12.048 -4.949 24.275 0.00 0.80 C
ATOM 566 OD1 ASP 34 12.145 -4.344 25.368 0.00 -0.80 O
ATOM 567 OD2 ASP 34 12.769 -4.631 23.303 0.00 -0.80 O
ATOM 568 C ASP 34 9.293 -4.815 22.872 0.00 0.54 C
ATOM 569 O ASP 34 8.920 -4.286 23.922 0.00 -0.58 O
ATOM 570 N VAL 35 8.917 -4.343 21.677 0.00 -0.42 N
ATOM 571 H VAL 35 9.256 -4.820 20.848 0.00 0.27 H
ATOM 572 CA VAL 35 7.988 -3.214 21.480 0.00 -0.09 C
ATOM 573 HA VAL 35 7.515 -2.974 22.430 0.00 0.10 H
ATOM 574 CB VAL 35 8.724 -1.942 20.998 0.00 0.30 C
ATOM 575 HB VAL 35 9.219 -2.157 20.051 0.00 -0.03 H
ATOM 576 CG1 VAL 35 7.788 -0.738 20.801 0.00 -0.32 C
ATOM 577 2HG1 VAL 35 8.373 0.142 20.531 0.00 0.08 H
ATOM 578 3HG1 VAL 35 7.083 -0.926 19.993 0.00 0.08 H
ATOM 579 4HG1 VAL 35 7.241 -0.529 21.722 0.00 0.08 H
ATOM 580 CG2 VAL 35 9.779 -1.495 22.015 0.00 -0.32 C
ATOM 581 2HG2 VAL 35 10.328 -0.640 21.620 0.00 0.08 H
ATOM 582 3HG2 VAL 35 9.298 -1.206 22.949 0.00 0.08 H
ATOM 583 4HG2 VAL 35 10.488 -2.297 22.205 0.00 0.08 H
ATOM 584 C VAL 35 6.872 -3.607 20.514 0.00 0.60 C
ATOM 585 O VAL 35 7.071 -4.365 19.561 0.00 -0.57 O
ATOM 586 N VAL 36 5.679 -3.082 20.781 0.00 -0.42 N
ATOM 587 H VAL 36 5.598 -2.505 21.613 0.00 0.27 H
ATOM 588 CA VAL 36 4.433 -3.347 20.061 0.00 -0.09 C
ATOM 589 HA VAL 36 4.646 -4.000 19.224 0.00 0.10 H
ATOM 590 CB VAL 36 3.425 -4.053 20.990 0.00 0.30 C
ATOM 591 HB VAL 36 3.218 -3.410 21.841 0.00 -0.03 H
ATOM 592 CG1 VAL 36 2.093 -4.352 20.290 0.00 -0.32 C
ATOM 593 2HG1 VAL 36 2.274 -4.901 19.365 0.00 0.08 H
ATOM 594 3HG1 VAL 36 1.456 -4.942 20.947 0.00 0.08 H
ATOM 595 4HG1 VAL 36 1.572 -3.423 20.062 0.00 0.08 H
ATOM 596 CG2 VAL 36 3.985 -5.377 21.522 0.00 -0.32 C
ATOM 597 2HG2 VAL 36 4.944 -5.222 22.014 0.00 0.08 H
ATOM 598 3HG2 VAL 36 3.310 -5.784 22.267 0.00 0.08 H
ATOM 599 4HG2 VAL 36 4.103 -6.087 20.707 0.00 0.08 H
ATOM 600 C VAL 36 3.867 -2.028 19.539 0.00 0.60 C
ATOM 601 O VAL 36 3.949 -1.009 20.216 0.00 -0.57 O
ATOM 602 N TYR 37 3.266 -2.043 18.353 0.00 -0.42 N
ATOM 603 H TYR 37 3.260 -2.926 17.855 0.00 0.27 H
ATOM 604 CA TYR 37 2.803 -0.867 17.616 0.00 0.00 C
ATOM 605 HA TYR 37 2.853 0.018 18.250 0.00 0.09 H
ATOM 606 CB TYR 37 3.718 -0.652 16.392 0.00 -0.02 C
ATOM 607 HB2 TYR 37 3.589 -1.492 15.708 0.00 0.03 H
ATOM 608 HB3 TYR 37 3.381 0.242 15.865 0.00 0.03 H
ATOM 609 CG TYR 37 5.207 -0.515 16.691 0.00 0.00 C
ATOM 610 CD1 TYR 37 6.008 -1.662 16.874 0.00 -0.19 C
ATOM 611 HD1 TYR 37 5.567 -2.645 16.811 0.00 0.17 H
ATOM 612 CE1 TYR 37 7.382 -1.541 17.154 0.00 -0.23 C
ATOM 613 HE1 TYR 37 7.979 -2.424 17.320 0.00 0.17 H
ATOM 614 CZ TYR 37 7.976 -0.264 17.227 0.00 0.32 C
ATOM 615 OH TYR 37 9.307 -0.136 17.475 0.00 -0.56 O
ATOM 616 HH TYR 37 9.736 -1.008 17.566 0.00 0.40 H
ATOM 617 CE2 TYR 37 7.181 0.884 17.030 0.00 -0.23 C
ATOM 618 HE2 TYR 37 7.643 1.857 17.071 0.00 0.17 H
ATOM 619 CD2 TYR 37 5.802 0.759 16.762 0.00 -0.19 C
ATOM 620 HD2 TYR 37 5.205 1.645 16.601 0.00 0.17 H
ATOM 621 C TYR 37 1.348 -1.095 17.181 0.00 0.60 C
ATOM 622 O TYR 37 1.033 -2.150 16.627 0.00 -0.57 O
ATOM 623 N CYS 38 0.448 -0.141 17.439 0.00 -0.42 N
ATOM 624 H CYS 38 0.746 0.689 17.937 0.00 0.27 H
ATOM 625 CA CYS 38 -0.988 -0.280 17.143 0.00 0.02 C
ATOM 626 HA CYS 38 -1.094 -0.863 16.229 0.00 0.11 H
ATOM 627 CB CYS 38 -1.634 -1.066 18.298 0.00 -0.12 C
ATOM 628 HB2 CYS 38 -2.691 -1.230 18.085 0.00 0.11 H
ATOM 629 HB3 CYS 38 -1.151 -2.040 18.381 0.00 0.11 H
ATOM 630 SG CYS 38 -1.468 -0.170 19.874 0.00 -0.31 S
ATOM 631 HG CYS 38 -0.150 0.082 19.813 0.00 0.19 H
ATOM 632 C CYS 38 -1.698 1.080 16.933 0.00 0.60 C
ATOM 633 O CYS 38 -1.197 2.094 17.420 0.00 -0.57 O
ATOM 634 N PRO 39 -2.854 1.142 16.236 0.00 -0.25 N
ATOM 635 CA PRO 39 -3.662 2.361 16.100 0.00 -0.03 C
ATOM 636 HA PRO 39 -3.098 3.090 15.517 0.00 0.06 H
ATOM 637 CB PRO 39 -4.906 1.944 15.308 0.00 -0.01 C
ATOM 638 HB2 PRO 39 -5.253 2.736 14.649 0.00 0.03 H
ATOM 639 HB3 PRO 39 -5.707 1.646 15.984 0.00 0.03 H
ATOM 640 CG PRO 39 -4.440 0.727 14.521 0.00 0.02 C
ATOM 641 HG2 PRO 39 -3.902 1.048 13.628 0.00 0.02 H
ATOM 642 HG3 PRO 39 -5.272 0.077 14.259 0.00 0.02 H
ATOM 643 CD PRO 39 -3.476 0.054 15.495 0.00 0.02 C
ATOM 644 HD2 PRO 39 -4.032 -0.582 16.183 0.00 0.04 H
ATOM 645 HD3 PRO 39 -2.746 -0.537 14.944 0.00 0.04 H
ATOM 646 C PRO 39 -4.057 2.982 17.450 0.00 0.59 C
ATOM 647 O PRO 39 -4.633 2.309 18.311 0.00 -0.57 O
ATOM 648 N ARG 40 -3.803 4.284 17.639 0.00 -0.35 N
ATOM 649 H ARG 40 -3.386 4.812 16.875 0.00 0.27 H
ATOM 650 CA ARG 40 -4.072 4.981 18.913 0.00 -0.26 C
ATOM 651 HA ARG 40 -3.508 4.462 19.690 0.00 0.16 H
ATOM 652 CB ARG 40 -3.553 6.425 18.864 0.00 0.00 C
ATOM 653 HB2 ARG 40 -3.638 6.856 19.861 0.00 0.03 H
ATOM 654 HB3 ARG 40 -2.497 6.415 18.585 0.00 0.03 H
ATOM 655 CG ARG 40 -4.328 7.318 17.891 0.00 0.04 C
ATOM 656 HG2 ARG 40 -4.218 6.939 16.880 0.00 0.03 H
ATOM 657 HG3 ARG 40 -5.386 7.336 18.144 0.00 0.03 H
ATOM 658 CD ARG 40 -3.790 8.740 17.942 0.00 0.05 C
ATOM 659 HD2 ARG 40 -3.991 9.162 18.919 0.00 0.07 H
ATOM 660 HD3 ARG 40 -2.709 8.711 17.829 0.00 0.07 H
ATOM 661 NE ARG 40 -4.404 9.565 16.889 0.00 -0.53 N
ATOM 662 HE ARG 40 -5.136 9.128 16.326 0.00 0.35 H
ATOM 663 CZ ARG 40 -4.062 10.795 16.567 0.00 0.81 C
ATOM 664 NH1 ARG 40 -3.151 11.451 17.218 0.00 -0.86 N
ATOM 665 2HH1 ARG 40 -2.957 12.416 16.995 0.00 0.45 H
ATOM 666 3HH1 ARG 40 -2.689 11.016 18.012 0.00 0.45 H
ATOM 667 NH2 ARG 40 -4.624 11.394 15.565 0.00 -0.86 N
ATOM 668 2HH2 ARG 40 -4.204 12.228 15.191 0.00 0.45 H
ATOM 669 3HH2 ARG 40 -5.309 10.869 15.020 0.00 0.45 H
ATOM 670 C ARG 40 -5.532 4.942 19.374 0.00 0.73 C
ATOM 671 O ARG 40 -5.767 5.030 20.577 0.00 -0.59 O
HETATM 672 N UNK 41 -6.510 4.771 18.461 0.00 -0.35 N
HETATM 673 H UNK 41 -6.224 4.756 17.478 0.00 0.27 H
HETATM 674 CA UNK 41 -7.864 4.714 18.772 0.00 0.00 C
HETATM 675 HA UNK 41 -8.144 5.610 19.322 0.00 0.00 H
HETATM 676 CB UNK 41 -8.767 4.616 17.536 0.00 0.00 C
HETATM 677 HB2 UNK 41 -9.804 4.802 17.843 0.00 0.00 H
HETATM 678 HB3 UNK 41 -8.501 5.482 16.915 0.00 0.00 H
HETATM 679 CG UNK 41 -8.764 3.394 16.671 0.00 0.00 C
HETATM 680 ND1 UNK 41 -9.622 2.347 16.922 0.00 0.00 N
HETATM 681 HD1 UNK 41 -10.236 2.242 17.737 0.00 0.00 H
HETATM 682 CE1 UNK 41 -9.568 1.493 15.885 0.00 0.00 C
HETATM 683 HE1 UNK 41 -10.194 0.606 15.825 0.00 0.00 H
HETATM 684 NE2 UNK 41 -8.706 1.916 14.978 0.00 0.00 N
HETATM 685 H14 UNK 41 -8.799 1.019 13.473 0.00 0.00 H
HETATM 686 CD2 UNK 41 -8.204 3.102 15.449 0.00 0.00 C
HETATM 687 HD2 UNK 41 -7.500 3.680 14.868 0.00 0.00 H
HETATM 688 C UNK 41 -8.191 3.444 19.863 0.00 0.73 C
HETATM 689 O UNK 41 -9.287 3.392 20.469 0.00 -0.59 O
ATOM 690 N VAL 42 -7.226 2.540 20.122 0.00 -0.42 N
ATOM 691 H VAL 42 -6.391 2.583 19.554 0.00 0.27 H
ATOM 692 CA VAL 42 -7.251 1.589 21.242 0.00 -0.09 C
ATOM 693 HA VAL 42 -8.114 0.940 21.088 0.00 0.10 H
ATOM 694 CB VAL 42 -5.990 0.709 21.185 0.00 0.30 C
ATOM 695 HB VAL 42 -5.831 0.430 20.149 0.00 -0.03 H
ATOM 696 CG1 VAL 42 -4.709 1.395 21.672 0.00 -0.32 C
ATOM 697 2HG1 VAL 42 -4.567 2.339 21.145 0.00 0.08 H
ATOM 698 3HG1 VAL 42 -4.752 1.571 22.745 0.00 0.08 H
ATOM 699 4HG1 VAL 42 -3.855 0.752 21.457 0.00 0.08 H
ATOM 700 CG2 VAL 42 -6.196 -0.581 21.967 0.00 -0.32 C
ATOM 701 2HG2 VAL 42 -7.106 -1.075 21.624 0.00 0.08 H
ATOM 702 3HG2 VAL 42 -5.352 -1.247 21.793 0.00 0.08 H
ATOM 703 4HG2 VAL 42 -6.277 -0.359 23.029 0.00 0.08 H
ATOM 704 C VAL 42 -7.431 2.247 22.624 0.00 0.60 C
ATOM 705 O VAL 42 -8.072 1.658 23.496 0.00 -0.57 O
ATOM 706 N ILE 43 -6.946 3.483 22.832 0.00 -0.42 N
ATOM 707 H ILE 43 -6.450 3.939 22.071 0.00 0.27 H
ATOM 708 CA ILE 43 -7.138 4.238 24.094 0.00 -0.06 C
ATOM 709 HA ILE 43 -7.350 3.511 24.872 0.00 0.09 H
ATOM 710 CB ILE 43 -5.867 4.978 24.563 0.00 0.13 C
ATOM 711 HB ILE 43 -6.073 5.307 25.578 0.00 0.02 H
ATOM 712 CG2 ILE 43 -4.693 3.997 24.655 0.00 -0.32 C
ATOM 713 2HG2 ILE 43 -4.366 3.711 23.656 0.00 0.09 H
ATOM 714 3HG2 ILE 43 -3.858 4.452 25.185 0.00 0.09 H
ATOM 715 4HG2 ILE 43 -5.006 3.111 25.205 0.00 0.09 H
ATOM 716 CG1 ILE 43 -5.490 6.239 23.759 0.00 -0.04 C
ATOM 717 2HG1 ILE 43 -5.027 5.960 22.814 0.00 0.02 H
ATOM 718 3HG1 ILE 43 -6.380 6.831 23.549 0.00 0.02 H
ATOM 719 CD ILE 43 -4.525 7.122 24.557 0.00 -0.07 C
ATOM 720 HD2 ILE 43 -4.380 8.077 24.057 0.00 0.02 H
ATOM 721 HD3 ILE 43 -4.930 7.307 25.551 0.00 0.02 H
ATOM 722 HD4 ILE 43 -3.562 6.630 24.652 0.00 0.02 H
ATOM 723 C ILE 43 -8.357 5.172 24.069 0.00 0.60 C
ATOM 724 O ILE 43 -8.543 6.001 24.962 0.00 -0.57 O
ATOM 725 N CYS 44 -9.182 5.053 23.032 0.00 -0.42 N
ATOM 726 H CYS 44 -8.995 4.321 22.358 0.00 0.27 H
ATOM 727 CA CYS 44 -10.305 5.932 22.740 0.00 0.02 C
ATOM 728 HA CYS 44 -10.314 6.773 23.438 0.00 0.11 H
ATOM 729 CB CYS 44 -10.070 6.466 21.322 0.00 -0.12 C
ATOM 730 HB2 CYS 44 -8.998 6.530 21.140 0.00 0.11 H
ATOM 731 HB3 CYS 44 -10.509 5.796 20.580 0.00 0.11 H
ATOM 732 SG CYS 44 -10.740 8.130 21.144 0.00 -0.31 S
ATOM 733 HG CYS 44 -10.060 8.431 20.026 0.00 0.19 H
ATOM 734 C CYS 44 -11.632 5.172 22.883 0.00 0.60 C
ATOM 735 O CYS 44 -11.648 3.939 22.971 0.00 -0.57 O
ATOM 736 N THR 45 -12.753 5.888 22.888 0.00 -0.42 N
ATOM 737 H THR 45 -12.680 6.889 22.764 0.00 0.27 H
ATOM 738 CA THR 45 -14.103 5.338 23.112 0.00 -0.04 C
ATOM 739 HA THR 45 -14.095 4.261 22.953 0.00 0.10 H
ATOM 740 CB THR 45 -14.579 5.585 24.558 0.00 0.37 C
ATOM 741 HB THR 45 -15.513 5.049 24.712 0.00 0.00 H
ATOM 742 CG2 THR 45 -13.571 5.096 25.602 0.00 -0.24 C
ATOM 743 2HG2 THR 45 -13.987 5.194 26.601 0.00 0.06 H
ATOM 744 3HG2 THR 45 -13.335 4.048 25.421 0.00 0.06 H
ATOM 745 4HG2 THR 45 -12.653 5.681 25.555 0.00 0.06 H
ATOM 746 OG1 THR 45 -14.844 6.949 24.795 0.00 -0.68 O
ATOM 747 HG1 THR 45 -13.984 7.395 24.997 0.00 0.41 H
ATOM 748 C THR 45 -15.096 5.932 22.113 0.00 0.60 C
ATOM 749 O THR 45 -14.793 6.947 21.482 0.00 -0.57 O
ATOM 750 N SER 46 -16.283 5.337 21.949 0.00 -0.42 N
ATOM 751 H SER 46 -16.473 4.472 22.445 0.00 0.27 H
ATOM 752 CA SER 46 -17.305 5.860 21.018 0.00 -0.02 C
ATOM 753 HA SER 46 -16.890 5.831 20.013 0.00 0.08 H
ATOM 754 CB SER 46 -18.591 5.023 21.014 0.00 0.21 C
ATOM 755 HB2 SER 46 -19.246 5.377 21.809 0.00 0.04 H
ATOM 756 HB3 SER 46 -19.110 5.175 20.067 0.00 0.04 H
ATOM 757 OG SER 46 -18.365 3.635 21.209 0.00 -0.65 O
ATOM 758 HG SER 46 -17.807 3.297 20.463 0.00 0.43 H
ATOM 759 C SER 46 -17.688 7.319 21.309 0.00 0.60 C
ATOM 760 O SER 46 -18.050 8.052 20.390 0.00 -0.57 O
ATOM 761 N GLU 47 -17.589 7.734 22.574 0.00 -0.52 N
ATOM 762 H GLU 47 -17.330 7.047 23.268 0.00 0.29 H
ATOM 763 CA GLU 47 -17.816 9.106 23.031 0.00 0.04 C
ATOM 764 HA GLU 47 -18.691 9.517 22.525 0.00 0.11 H
ATOM 765 CB GLU 47 -18.072 9.115 24.552 0.00 0.06 C
ATOM 766 HB2 GLU 47 -17.174 8.789 25.079 0.00 -0.02 H
ATOM 767 HB3 GLU 47 -18.268 10.147 24.844 0.00 -0.02 H
ATOM 768 CG GLU 47 -19.266 8.262 25.022 0.00 0.01 C
ATOM 769 HG2 GLU 47 -19.581 8.629 26.000 0.00 -0.04 H
ATOM 770 HG3 GLU 47 -20.103 8.403 24.334 0.00 -0.04 H
ATOM 771 CD GLU 47 -18.927 6.769 25.151 0.00 0.81 C
ATOM 772 OE1 GLU 47 -19.306 5.973 24.260 0.00 -0.82 O
ATOM 773 OE2 GLU 47 -18.266 6.366 26.134 0.00 -0.82 O
ATOM 774 C GLU 47 -16.622 10.023 22.712 0.00 0.54 C
ATOM 775 O GLU 47 -16.811 11.148 22.250 0.00 -0.58 O
ATOM 776 N ASP 48 -15.389 9.554 22.934 0.00 -0.52 N
ATOM 777 H ASP 48 -15.295 8.613 23.295 0.00 0.29 H
ATOM 778 CA ASP 48 -14.168 10.332 22.684 0.00 0.04 C
ATOM 779 HA ASP 48 -14.248 11.305 23.172 0.00 0.09 H
ATOM 780 CB ASP 48 -12.942 9.598 23.237 0.00 -0.03 C
ATOM 781 HB2 ASP 48 -12.924 8.595 22.816 0.00 -0.01 H
ATOM 782 HB3 ASP 48 -12.042 10.123 22.915 0.00 -0.01 H
ATOM 783 CG ASP 48 -12.893 9.500 24.752 0.00 0.80 C
ATOM 784 OD1 ASP 48 -12.970 10.551 25.425 0.00 -0.80 O
ATOM 785 OD2 ASP 48 -12.743 8.362 25.251 0.00 -0.80 O
ATOM 786 C ASP 48 -13.916 10.577 21.192 0.00 0.54 C
ATOM 787 O ASP 48 -13.613 11.702 20.799 0.00 -0.58 O
ATOM 788 N MET 49 -14.054 9.538 20.354 0.00 -0.42 N
ATOM 789 H MET 49 -14.349 8.654 20.760 0.00 0.27 H
ATOM 790 CA MET 49 -13.637 9.540 18.941 0.00 -0.02 C
ATOM 791 HA MET 49 -12.561 9.717 18.911 0.00 0.09 H
ATOM 792 CB MET 49 -13.909 8.171 18.295 0.00 0.03 C
ATOM 793 HB2 MET 49 -14.922 7.849 18.540 0.00 0.02 H
ATOM 794 HB3 MET 49 -13.832 8.268 17.213 0.00 0.02 H
ATOM 795 CG MET 49 -12.891 7.110 18.728 0.00 0.00 C
ATOM 796 HG2 MET 49 -11.893 7.492 18.510 0.00 0.04 H
ATOM 797 HG3 MET 49 -12.966 6.954 19.802 0.00 0.04 H
ATOM 798 SD MET 49 -13.048 5.503 17.902 0.00 -0.27 S
ATOM 799 CE MET 49 -14.636 4.947 18.565 0.00 -0.05 C
ATOM 800 HE2 MET 49 -15.415 5.663 18.311 0.00 0.07 H
ATOM 801 HE3 MET 49 -14.894 3.981 18.136 0.00 0.07 H
ATOM 802 HE4 MET 49 -14.567 4.847 19.647 0.00 0.07 H
ATOM 803 C MET 49 -14.267 10.648 18.084 0.00 0.60 C
ATOM 804 O MET 49 -13.744 10.950 17.014 0.00 -0.57 O
ATOM 805 N LEU 50 -15.350 11.277 18.545 0.00 -0.42 N
ATOM 806 H LEU 50 -15.691 10.994 19.454 0.00 0.27 H
ATOM 807 CA LEU 50 -15.975 12.439 17.910 0.00 -0.05 C
ATOM 808 HA LEU 50 -16.198 12.190 16.871 0.00 0.09 H
ATOM 809 CB LEU 50 -17.299 12.746 18.638 0.00 -0.11 C
ATOM 810 HB2 LEU 50 -17.060 13.148 19.623 0.00 0.05 H
ATOM 811 HB3 LEU 50 -17.826 13.521 18.080 0.00 0.05 H
ATOM 812 CG LEU 50 -18.249 11.546 18.846 0.00 0.35 C
ATOM 813 HG LEU 50 -17.766 10.813 19.492 0.00 -0.04 H
ATOM 814 CD1 LEU 50 -19.525 12.013 19.544 0.00 -0.41 C
ATOM 815 2HD1 LEU 50 -20.054 12.734 18.920 0.00 0.10 H
ATOM 816 3HD1 LEU 50 -20.171 11.156 19.737 0.00 0.10 H
ATOM 817 4HD1 LEU 50 -19.269 12.477 20.497 0.00 0.10 H
ATOM 818 CD2 LEU 50 -18.641 10.852 17.540 0.00 -0.41 C
ATOM 819 2HD2 LEU 50 -19.132 11.561 16.876 0.00 0.10 H
ATOM 820 3HD2 LEU 50 -17.755 10.448 17.053 0.00 0.10 H
ATOM 821 4HD2 LEU 50 -19.322 10.030 17.755 0.00 0.10 H
ATOM 822 C LEU 50 -15.048 13.677 17.886 0.00 0.60 C
ATOM 823 O LEU 50 -15.067 14.437 16.916 0.00 -0.57 O
ATOM 824 N ASN 51 -14.213 13.871 18.916 0.00 -0.42 N
ATOM 825 H ASN 51 -14.241 13.182 19.663 0.00 0.27 H
ATOM 826 CA ASN 51 -13.132 14.869 18.981 0.00 0.01 C
ATOM 827 HA ASN 51 -12.563 14.813 18.055 0.00 0.10 H
ATOM 828 CB ASN 51 -13.692 16.304 19.093 0.00 -0.20 C
ATOM 829 HB2 ASN 51 -14.347 16.527 18.256 0.00 0.08 H
ATOM 830 HB3 ASN 51 -14.275 16.391 20.009 0.00 0.08 H
ATOM 831 CG ASN 51 -12.583 17.348 19.098 0.00 0.71 C
ATOM 832 OD1 ASN 51 -11.609 17.265 18.361 0.00 -0.59 O
ATOM 833 ND2 ASN 51 -12.659 18.340 19.949 0.00 -0.92 N
ATOM 834 2HD2 ASN 51 -11.917 19.015 19.968 0.00 0.42 H
ATOM 835 3HD2 ASN 51 -13.399 18.353 20.648 0.00 0.42 H
ATOM 836 C ASN 51 -12.147 14.549 20.131 0.00 0.60 C
ATOM 837 O ASN 51 -12.154 15.238 21.160 0.00 -0.57 O
ATOM 838 N PRO 52 -11.313 13.505 20.007 0.00 -0.25 N
ATOM 839 CA PRO 52 -10.371 13.119 21.054 0.00 -0.03 C
ATOM 840 HA PRO 52 -10.845 13.151 22.034 0.00 0.06 H
ATOM 841 CB PRO 52 -9.995 11.678 20.714 0.00 -0.01 C
ATOM 842 HB2 PRO 52 -10.750 11.011 21.127 0.00 0.03 H
ATOM 843 HB3 PRO 52 -9.002 11.405 21.075 0.00 0.03 H
ATOM 844 CG PRO 52 -10.071 11.646 19.190 0.00 0.02 C
ATOM 845 HG2 PRO 52 -10.292 10.644 18.832 0.00 0.02 H
ATOM 846 HG3 PRO 52 -9.140 12.022 18.765 0.00 0.02 H
ATOM 847 CD PRO 52 -11.200 12.617 18.860 0.00 0.02 C
ATOM 848 HD2 PRO 52 -10.963 13.169 17.951 0.00 0.04 H
ATOM 849 HD3 PRO 52 -12.126 12.065 18.732 0.00 0.04 H
ATOM 850 C PRO 52 -9.135 14.024 21.052 0.00 0.59 C
ATOM 851 O PRO 52 -8.806 14.637 20.033 0.00 -0.57 O
ATOM 852 N ASN 53 -8.405 14.063 22.164 0.00 -0.42 N
ATOM 853 H ASN 53 -8.783 13.646 23.012 0.00 0.27 H
ATOM 854 CA ASN 53 -7.097 14.703 22.264 0.00 0.01 C
ATOM 855 HA ASN 53 -6.732 14.933 21.262 0.00 0.10 H
ATOM 856 CB ASN 53 -7.231 16.023 23.042 0.00 -0.20 C
ATOM 857 HB2 ASN 53 -8.050 16.610 22.635 0.00 0.08 H
ATOM 858 HB3 ASN 53 -7.450 15.804 24.086 0.00 0.08 H
ATOM 859 CG ASN 53 -5.984 16.880 22.961 0.00 0.71 C
ATOM 860 OD1 ASN 53 -5.235 16.833 21.994 0.00 -0.59 O
ATOM 861 ND2 ASN 53 -5.722 17.697 23.948 0.00 -0.92 N
ATOM 862 2HD2 ASN 53 -6.381 17.773 24.726 0.00 0.42 H
ATOM 863 3HD2 ASN 53 -4.909 18.278 23.889 0.00 0.42 H
ATOM 864 C ASN 53 -6.114 13.711 22.899 0.00 0.60 C
ATOM 865 O ASN 53 -6.085 13.522 24.112 0.00 -0.57 O
ATOM 866 N TYR 54 -5.360 12.990 22.073 0.00 -0.42 N
ATOM 867 H TYR 54 -5.410 13.179 21.076 0.00 0.27 H
ATOM 868 CA TYR 54 -4.585 11.831 22.520 0.00 0.00 C
ATOM 869 HA TYR 54 -5.265 11.187 23.072 0.00 0.09 H
ATOM 870 CB TYR 54 -4.118 11.035 21.307 0.00 -0.02 C
ATOM 871 HB2 TYR 54 -3.683 11.706 20.565 0.00 0.03 H
ATOM 872 HB3 TYR 54 -3.342 10.334 21.614 0.00 0.03 H
ATOM 873 CG TYR 54 -5.262 10.250 20.701 0.00 0.00 C
ATOM 874 CD1 TYR 54 -5.587 8.982 21.216 0.00 -0.19 C
ATOM 875 HD1 TYR 54 -5.020 8.579 22.037 0.00 0.17 H
ATOM 876 CE1 TYR 54 -6.638 8.234 20.655 0.00 -0.23 C
ATOM 877 HE1 TYR 54 -6.886 7.263 21.050 0.00 0.17 H
ATOM 878 CZ TYR 54 -7.355 8.746 19.556 0.00 0.32 C
ATOM 879 OH TYR 54 -8.339 8.008 18.981 0.00 -0.56 O
ATOM 880 HH TYR 54 -8.721 8.456 18.195 0.00 0.40 H
ATOM 881 CE2 TYR 54 -7.028 10.017 19.045 0.00 -0.23 C
ATOM 882 HE2 TYR 54 -7.564 10.401 18.199 0.00 0.17 H
ATOM 883 CD2 TYR 54 -5.995 10.775 19.622 0.00 -0.19 C
ATOM 884 HD2 TYR 54 -5.745 11.742 19.210 0.00 0.17 H
ATOM 885 C TYR 54 -3.444 12.143 23.496 0.00 0.60 C
ATOM 886 O TYR 54 -3.174 11.313 24.364 0.00 -0.57 O
ATOM 887 N GLU 55 -2.866 13.349 23.463 0.00 -0.52 N
ATOM 888 H GLU 55 -3.099 13.983 22.708 0.00 0.29 H
ATOM 889 CA GLU 55 -1.964 13.832 24.526 0.00 0.04 C
ATOM 890 HA GLU 55 -1.182 13.087 24.666 0.00 0.11 H
ATOM 891 CB GLU 55 -1.326 15.177 24.125 0.00 0.06 C
ATOM 892 HB2 GLU 55 -2.122 15.868 23.841 0.00 -0.02 H
ATOM 893 HB3 GLU 55 -0.815 15.608 24.987 0.00 -0.02 H
ATOM 894 CG GLU 55 -0.313 15.091 22.973 0.00 0.01 C
ATOM 895 HG2 GLU 55 -0.791 14.633 22.108 0.00 -0.04 H
ATOM 896 HG3 GLU 55 -0.033 16.110 22.695 0.00 -0.04 H
ATOM 897 CD GLU 55 0.967 14.312 23.308 0.00 0.81 C
ATOM 898 OE1 GLU 55 1.844 14.223 22.422 0.00 -0.82 O
ATOM 899 OE2 GLU 55 1.084 13.725 24.410 0.00 -0.82 O
ATOM 900 C GLU 55 -2.645 13.990 25.900 0.00 0.54 C
ATOM 901 O GLU 55 -1.965 14.153 26.915 0.00 -0.58 O
ATOM 902 N ASP 56 -3.974 13.921 25.956 0.00 -0.52 N
ATOM 903 H ASP 56 -4.476 13.820 25.082 0.00 0.29 H
ATOM 904 CA ASP 56 -4.797 14.063 27.160 0.00 0.04 C
ATOM 905 HA ASP 56 -4.157 14.336 27.996 0.00 0.09 H
ATOM 906 CB ASP 56 -5.804 15.200 26.914 0.00 -0.03 C
ATOM 907 HB2 ASP 56 -5.393 15.891 26.176 0.00 -0.01 H
ATOM 908 HB3 ASP 56 -6.727 14.788 26.502 0.00 -0.01 H
ATOM 909 CG ASP 56 -6.114 16.024 28.160 0.00 0.80 C
ATOM 910 OD1 ASP 56 -7.275 16.478 28.293 0.00 -0.80 O
ATOM 911 OD2 ASP 56 -5.177 16.306 28.942 0.00 -0.80 O
ATOM 912 C ASP 56 -5.487 12.741 27.543 0.00 0.54 C
ATOM 913 O ASP 56 -5.692 12.471 28.725 0.00 -0.58 O
ATOM 914 N LEU 57 -5.751 11.861 26.569 0.00 -0.42 N
ATOM 915 H LEU 57 -5.652 12.185 25.614 0.00 0.27 H
ATOM 916 CA LEU 57 -6.137 10.466 26.812 0.00 -0.05 C
ATOM 917 HA LEU 57 -6.907 10.442 27.583 0.00 0.09 H
ATOM 918 CB LEU 57 -6.699 9.845 25.517 0.00 -0.11 C
ATOM 919 HB2 LEU 57 -5.965 9.979 24.725 0.00 0.05 H
ATOM 920 HB3 LEU 57 -6.820 8.772 25.671 0.00 0.05 H
ATOM 921 CG LEU 57 -8.055 10.407 25.051 0.00 0.35 C
ATOM 922 HG LEU 57 -8.024 11.495 25.036 0.00 -0.04 H
ATOM 923 CD1 LEU 57 -8.361 9.907 23.638 0.00 -0.41 C
ATOM 924 2HD1 LEU 57 -8.372 8.818 23.615 0.00 0.10 H
ATOM 925 3HD1 LEU 57 -9.337 10.279 23.327 0.00 0.10 H
ATOM 926 4HD1 LEU 57 -7.609 10.279 22.943 0.00 0.10 H
ATOM 927 CD2 LEU 57 -9.191 9.936 25.959 0.00 -0.41 C
ATOM 928 2HD2 LEU 57 -9.251 8.849 25.966 0.00 0.10 H
ATOM 929 3HD2 LEU 57 -9.039 10.300 26.974 0.00 0.10 H
ATOM 930 4HD2 LEU 57 -10.136 10.344 25.601 0.00 0.10 H
ATOM 931 C LEU 57 -4.960 9.617 27.327 0.00 0.60 C
ATOM 932 O LEU 57 -5.123 8.869 28.289 0.00 -0.57 O
ATOM 933 N LEU 58 -3.772 9.702 26.712 0.00 -0.42 N
ATOM 934 H LEU 58 -3.675 10.347 25.932 0.00 0.27 H
ATOM 935 CA LEU 58 -2.640 8.807 27.015 0.00 -0.05 C
ATOM 936 HA LEU 58 -3.009 7.783 26.964 0.00 0.09 H
ATOM 937 CB LEU 58 -1.564 8.984 25.921 0.00 -0.11 C
ATOM 938 HB2 LEU 58 -2.063 8.880 24.957 0.00 0.05 H
ATOM 939 HB3 LEU 58 -1.180 10.005 25.960 0.00 0.05 H
ATOM 940 CG LEU 58 -0.366 8.009 25.895 0.00 0.35 C
ATOM 941 HG LEU 58 0.101 8.110 24.917 0.00 -0.04 H
ATOM 942 CD1 LEU 58 0.709 8.339 26.924 0.00 -0.41 C
ATOM 943 2HD1 LEU 58 1.606 7.764 26.700 0.00 0.10 H
ATOM 944 3HD1 LEU 58 0.954 9.399 26.871 0.00 0.10 H
ATOM 945 4HD1 LEU 58 0.385 8.098 27.930 0.00 0.10 H
ATOM 946 CD2 LEU 58 -0.742 6.534 26.070 0.00 -0.41 C
ATOM 947 2HD2 LEU 58 -1.149 6.359 27.065 0.00 0.10 H
ATOM 948 3HD2 LEU 58 -1.472 6.245 25.319 0.00 0.10 H
ATOM 949 4HD2 LEU 58 0.147 5.919 25.935 0.00 0.10 H
ATOM 950 C LEU 58 -2.105 9.008 28.442 0.00 0.60 C
ATOM 951 O LEU 58 -1.823 8.033 29.143 0.00 -0.57 O
ATOM 952 N ILE 59 -2.044 10.253 28.923 0.00 -0.42 N
ATOM 953 H ILE 59 -2.290 11.015 28.306 0.00 0.27 H
ATOM 954 CA ILE 59 -1.674 10.572 30.313 0.00 -0.06 C
ATOM 955 HA ILE 59 -0.696 10.126 30.486 0.00 0.09 H
ATOM 956 CB ILE 59 -1.510 12.101 30.490 0.00 0.13 C
ATOM 957 HB ILE 59 -0.776 12.438 29.755 0.00 0.02 H
ATOM 958 CG2 ILE 59 -2.818 12.846 30.191 0.00 -0.32 C
ATOM 959 2HG2 ILE 59 -3.116 12.669 29.162 0.00 0.09 H
ATOM 960 3HG2 ILE 59 -3.616 12.530 30.860 0.00 0.09 H
ATOM 961 4HG2 ILE 59 -2.669 13.919 30.309 0.00 0.09 H
ATOM 962 CG1 ILE 59 -0.984 12.522 31.879 0.00 -0.04 C
ATOM 963 2HG1 ILE 59 -0.883 13.606 31.899 0.00 0.02 H
ATOM 964 3HG1 ILE 59 -1.701 12.249 32.653 0.00 0.02 H
ATOM 965 CD ILE 59 0.387 11.927 32.229 0.00 -0.07 C
ATOM 966 HD2 ILE 59 1.105 12.165 31.443 0.00 0.02 H
ATOM 967 HD3 ILE 59 0.735 12.358 33.168 0.00 0.02 H
ATOM 968 HD4 ILE 59 0.319 10.847 32.348 0.00 0.02 H
ATOM 969 C ILE 59 -2.624 9.945 31.355 0.00 0.60 C
ATOM 970 O ILE 59 -2.204 9.674 32.478 0.00 -0.57 O
ATOM 971 N ARG 60 -3.879 9.631 30.994 0.00 -0.35 N
ATOM 972 H ARG 60 -4.169 9.846 30.046 0.00 0.27 H
ATOM 973 CA ARG 60 -4.842 8.913 31.857 0.00 -0.26 C
ATOM 974 HA ARG 60 -4.670 9.198 32.895 0.00 0.16 H
ATOM 975 CB ARG 60 -6.283 9.297 31.464 0.00 0.00 C
ATOM 976 HB2 ARG 60 -6.454 9.053 30.417 0.00 0.03 H
ATOM 977 HB3 ARG 60 -6.988 8.703 32.045 0.00 0.03 H
ATOM 978 CG ARG 60 -6.625 10.778 31.682 0.00 0.04 C
ATOM 979 HG2 ARG 60 -5.941 11.402 31.110 0.00 0.03 H
ATOM 980 HG3 ARG 60 -7.634 10.948 31.309 0.00 0.03 H
ATOM 981 CD ARG 60 -6.572 11.188 33.160 0.00 0.05 C
ATOM 982 HD2 ARG 60 -7.192 10.501 33.739 0.00 0.07 H
ATOM 983 HD3 ARG 60 -5.549 11.118 33.531 0.00 0.07 H
ATOM 984 NE ARG 60 -7.086 12.554 33.349 0.00 -0.53 N
ATOM 985 HE ARG 60 -8.083 12.657 33.509 0.00 0.35 H
ATOM 986 CZ ARG 60 -6.435 13.695 33.237 0.00 0.81 C
ATOM 987 NH1 ARG 60 -5.155 13.748 33.001 0.00 -0.86 N
ATOM 988 2HH1 ARG 60 -4.675 14.639 32.882 0.00 0.45 H
ATOM 989 3HH1 ARG 60 -4.650 12.903 32.854 0.00 0.45 H
ATOM 990 NH2 ARG 60 -7.098 14.800 33.378 0.00 -0.86 N
ATOM 991 2HH2 ARG 60 -6.654 15.696 33.187 0.00 0.45 H
ATOM 992 3HH2 ARG 60 -8.104 14.742 33.464 0.00 0.45 H
ATOM 993 C ARG 60 -4.682 7.386 31.843 0.00 0.73 C
ATOM 994 O ARG 60 -5.386 6.706 32.598 0.00 -0.59 O
ATOM 995 N LYS 61 -3.785 6.830 31.019 0.00 -0.35 N
ATOM 996 H LYS 61 -3.229 7.449 30.441 0.00 0.27 H
ATOM 997 CA LYS 61 -3.534 5.380 30.915 0.00 -0.24 C