USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 THR OG1 : rot -78:sc= 0.582 USER MOD Set 1.2: A 64 SER OG : rot -155:sc= 0.341 USER MOD Single : A 11 THR OG1 : rot -35:sc= 0.717 USER MOD Single : A 13 GLN : amide:sc= -3.97! C(o=-4!,f=-5.2!) USER MOD Single : A 14 THR OG1 : rot 89:sc= 1.3 USER MOD Single : A 18 GLN : amide:sc= 0.959 K(o=0.96,f=0) USER MOD Single : A 20 ASN : amide:sc= -0.655 X(o=-0.66,f=-0.72) USER MOD Single : A 25 LYS NZ :NH3+ -176:sc= 1.21 (180deg=1.08) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -171:sc= 1.19 (180deg=1.12) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 121:sc= 1.18 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -165:sc= 1.24 (180deg=1.17) USER MOD Single : A 55 LYS NZ :NH3+ -172:sc= 2.38 (180deg=2.26) USER MOD Single : A 62 ASN : amide:sc= -0.4 K(o=-0.4,f=-2!) USER MOD Single : A 65 SER OG : rot 180:sc= 0.0959 USER MOD Single : A 67 ASN : amide:sc=-0.00499 X(o=-0.005,f=-0.16) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.585! X(o=-0.59!,f=-0.13) USER MOD Single : A 80 MET CE :methyl 148:sc= -2.81 (180deg=-3.09!) USER MOD Single : A 81 ASN : amide:sc= -0.252 K(o=-0.25,f=-0.81) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot -133:sc= 0.0553 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -171:sc= 0.967 (180deg=0.915) USER MOD Single : A 93 MET CE :methyl -150:sc= -0.269 (180deg=-2.53) USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 9 6.672 1.650 -7.024 1.00 0.00 N ATOM 94 CA GLU A 9 5.268 1.450 -7.321 1.00 0.00 C ATOM 95 C GLU A 9 5.021 -0.024 -7.678 1.00 0.00 C ATOM 96 O GLU A 9 4.002 -0.618 -7.282 1.00 0.00 O ATOM 97 CB GLU A 9 4.858 2.391 -8.454 1.00 0.00 C ATOM 98 CG GLU A 9 3.363 2.468 -8.710 1.00 0.00 C ATOM 99 CD GLU A 9 3.024 3.336 -9.900 1.00 0.00 C ATOM 100 OE1 GLU A 9 3.099 4.585 -9.796 1.00 0.00 O ATOM 101 OE2 GLU A 9 2.658 2.794 -10.960 1.00 0.00 O ATOM 0 HA GLU A 9 4.656 1.683 -6.450 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.225 3.392 -8.227 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.353 2.070 -9.371 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.973 1.463 -8.874 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.866 2.862 -7.824 1.00 0.00 H new ATOM 108 N TRP A 10 5.991 -0.617 -8.375 1.00 0.00 N ATOM 109 CA TRP A 10 5.958 -2.029 -8.721 1.00 0.00 C ATOM 110 C TRP A 10 5.894 -2.906 -7.471 1.00 0.00 C ATOM 111 O TRP A 10 5.137 -3.859 -7.423 1.00 0.00 O ATOM 112 CB TRP A 10 7.181 -2.431 -9.585 1.00 0.00 C ATOM 113 CG TRP A 10 7.356 -3.927 -9.755 1.00 0.00 C ATOM 114 CD1 TRP A 10 6.793 -4.730 -10.697 1.00 0.00 C ATOM 115 CD2 TRP A 10 8.146 -4.790 -8.923 1.00 0.00 C ATOM 116 NE1 TRP A 10 7.177 -6.033 -10.498 1.00 0.00 N ATOM 117 CE2 TRP A 10 8.008 -6.095 -9.412 1.00 0.00 C ATOM 118 CE3 TRP A 10 8.944 -4.571 -7.814 1.00 0.00 C ATOM 119 CZ2 TRP A 10 8.649 -7.184 -8.816 1.00 0.00 C ATOM 120 CZ3 TRP A 10 9.570 -5.631 -7.224 1.00 0.00 C ATOM 121 CH2 TRP A 10 9.428 -6.926 -7.715 1.00 0.00 C ATOM 0 H TRP A 10 6.820 -0.128 -8.713 1.00 0.00 H new ATOM 0 HA TRP A 10 5.053 -2.191 -9.307 1.00 0.00 H new ATOM 0 HB2 TRP A 10 7.082 -1.974 -10.570 1.00 0.00 H new ATOM 0 HB3 TRP A 10 8.083 -2.020 -9.132 1.00 0.00 H new ATOM 0 HD1 TRP A 10 6.139 -4.392 -11.487 1.00 0.00 H new ATOM 0 HE1 TRP A 10 6.889 -6.828 -11.068 1.00 0.00 H new ATOM 0 HE3 TRP A 10 9.070 -3.573 -7.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 8.537 -8.185 -9.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 10.190 -5.461 -6.356 1.00 0.00 H new ATOM 0 HH2 TRP A 10 9.938 -7.740 -7.222 1.00 0.00 H new ATOM 132 N THR A 11 6.669 -2.590 -6.464 1.00 0.00 N ATOM 133 CA THR A 11 6.689 -3.430 -5.296 1.00 0.00 C ATOM 134 C THR A 11 5.345 -3.392 -4.589 1.00 0.00 C ATOM 135 O THR A 11 4.825 -4.435 -4.160 1.00 0.00 O ATOM 136 CB THR A 11 7.812 -3.071 -4.323 1.00 0.00 C ATOM 137 OG1 THR A 11 9.074 -3.033 -5.019 1.00 0.00 O ATOM 138 CG2 THR A 11 7.880 -4.127 -3.249 1.00 0.00 C ATOM 0 H THR A 11 7.282 -1.775 -6.429 1.00 0.00 H new ATOM 0 HA THR A 11 6.886 -4.444 -5.645 1.00 0.00 H new ATOM 0 HB THR A 11 7.612 -2.093 -3.885 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.086 -3.726 -5.712 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.678 -3.882 -2.548 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.929 -4.167 -2.717 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.082 -5.097 -3.704 1.00 0.00 H new ATOM 146 N LEU A 12 4.773 -2.209 -4.533 1.00 0.00 N ATOM 147 CA LEU A 12 3.478 -2.013 -3.938 1.00 0.00 C ATOM 148 C LEU A 12 2.431 -2.857 -4.659 1.00 0.00 C ATOM 149 O LEU A 12 1.702 -3.633 -4.029 1.00 0.00 O ATOM 150 CB LEU A 12 3.071 -0.558 -4.045 1.00 0.00 C ATOM 151 CG LEU A 12 3.840 0.432 -3.205 1.00 0.00 C ATOM 152 CD1 LEU A 12 3.363 1.844 -3.507 1.00 0.00 C ATOM 153 CD2 LEU A 12 3.645 0.108 -1.738 1.00 0.00 C ATOM 0 H LEU A 12 5.197 -1.357 -4.901 1.00 0.00 H new ATOM 0 HA LEU A 12 3.538 -2.310 -2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.160 -0.257 -5.089 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.017 -0.481 -3.779 1.00 0.00 H new ATOM 0 HG LEU A 12 4.902 0.367 -3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.921 2.555 -2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.525 2.065 -4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.301 1.926 -3.278 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.200 0.823 -1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.585 0.167 -1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.009 -0.899 -1.536 1.00 0.00 H new ATOM 165 N GLN A 13 2.386 -2.721 -5.999 1.00 0.00 N ATOM 166 CA GLN A 13 1.408 -3.438 -6.802 1.00 0.00 C ATOM 167 C GLN A 13 1.575 -4.940 -6.640 1.00 0.00 C ATOM 168 O GLN A 13 0.625 -5.612 -6.391 1.00 0.00 O ATOM 169 CB GLN A 13 1.440 -3.035 -8.303 1.00 0.00 C ATOM 170 CG GLN A 13 2.698 -3.434 -9.035 1.00 0.00 C ATOM 171 CD GLN A 13 2.699 -3.123 -10.515 1.00 0.00 C ATOM 172 OE1 GLN A 13 3.748 -2.836 -11.093 1.00 0.00 O ATOM 173 NE2 GLN A 13 1.578 -3.273 -11.158 1.00 0.00 N ATOM 0 H GLN A 13 3.016 -2.123 -6.534 1.00 0.00 H new ATOM 0 HA GLN A 13 0.426 -3.149 -6.427 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.585 -3.487 -8.805 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.319 -1.954 -8.378 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.546 -2.929 -8.572 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.854 -4.505 -8.903 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.726 -3.511 -10.650 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.551 -3.153 -12.171 1.00 0.00 H new ATOM 182 N THR A 14 2.812 -5.422 -6.681 1.00 0.00 N ATOM 183 CA THR A 14 3.117 -6.848 -6.599 1.00 0.00 C ATOM 184 C THR A 14 2.570 -7.484 -5.303 1.00 0.00 C ATOM 185 O THR A 14 2.125 -8.632 -5.297 1.00 0.00 O ATOM 186 CB THR A 14 4.637 -7.057 -6.727 1.00 0.00 C ATOM 187 OG1 THR A 14 5.063 -6.410 -7.934 1.00 0.00 O ATOM 188 CG2 THR A 14 4.999 -8.527 -6.834 1.00 0.00 C ATOM 0 H THR A 14 3.638 -4.831 -6.773 1.00 0.00 H new ATOM 0 HA THR A 14 2.617 -7.354 -7.425 1.00 0.00 H new ATOM 0 HB THR A 14 5.121 -6.648 -5.840 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.289 -5.476 -7.742 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.081 -8.630 -6.923 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.656 -9.052 -5.942 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.520 -8.956 -7.714 1.00 0.00 H new ATOM 196 N LEU A 15 2.560 -6.726 -4.232 1.00 0.00 N ATOM 197 CA LEU A 15 1.999 -7.195 -2.978 1.00 0.00 C ATOM 198 C LEU A 15 0.480 -7.235 -3.081 1.00 0.00 C ATOM 199 O LEU A 15 -0.155 -8.235 -2.761 1.00 0.00 O ATOM 200 CB LEU A 15 2.421 -6.272 -1.840 1.00 0.00 C ATOM 201 CG LEU A 15 3.922 -6.217 -1.548 1.00 0.00 C ATOM 202 CD1 LEU A 15 4.232 -5.036 -0.656 1.00 0.00 C ATOM 203 CD2 LEU A 15 4.376 -7.502 -0.860 1.00 0.00 C ATOM 0 H LEU A 15 2.934 -5.778 -4.200 1.00 0.00 H new ATOM 0 HA LEU A 15 2.371 -8.199 -2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.078 -5.263 -2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.905 -6.586 -0.933 1.00 0.00 H new ATOM 0 HG LEU A 15 4.454 -6.110 -2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.302 -5.004 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.930 -4.115 -1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.688 -5.136 0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.446 -7.448 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.836 -7.623 0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.171 -8.354 -1.508 1.00 0.00 H new ATOM 215 N LEU A 16 -0.079 -6.176 -3.611 1.00 0.00 N ATOM 216 CA LEU A 16 -1.519 -6.017 -3.726 1.00 0.00 C ATOM 217 C LEU A 16 -2.109 -6.868 -4.872 1.00 0.00 C ATOM 218 O LEU A 16 -3.318 -7.021 -4.998 1.00 0.00 O ATOM 219 CB LEU A 16 -1.850 -4.541 -3.904 1.00 0.00 C ATOM 220 CG LEU A 16 -1.396 -3.611 -2.761 1.00 0.00 C ATOM 221 CD1 LEU A 16 -1.600 -2.159 -3.129 1.00 0.00 C ATOM 222 CD2 LEU A 16 -2.149 -3.923 -1.487 1.00 0.00 C ATOM 0 H LEU A 16 0.453 -5.388 -3.981 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.980 -6.381 -2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.395 -4.195 -4.832 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.929 -4.441 -4.022 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.332 -3.784 -2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.272 -1.525 -2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.019 -1.925 -4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.657 -1.979 -3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.813 -3.256 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.217 -3.782 -1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.960 -4.956 -1.196 1.00 0.00 H new ATOM 234 N GLU A 17 -1.262 -7.366 -5.728 1.00 0.00 N ATOM 235 CA GLU A 17 -1.680 -8.281 -6.765 1.00 0.00 C ATOM 236 C GLU A 17 -1.691 -9.701 -6.206 1.00 0.00 C ATOM 237 O GLU A 17 -2.337 -10.593 -6.744 1.00 0.00 O ATOM 238 CB GLU A 17 -0.785 -8.163 -8.009 1.00 0.00 C ATOM 239 CG GLU A 17 -0.886 -6.805 -8.725 1.00 0.00 C ATOM 240 CD GLU A 17 0.036 -6.709 -9.926 1.00 0.00 C ATOM 241 OE1 GLU A 17 1.210 -6.364 -9.751 1.00 0.00 O ATOM 242 OE2 GLU A 17 -0.405 -6.968 -11.067 1.00 0.00 O ATOM 0 H GLU A 17 -0.264 -7.153 -5.731 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.689 -8.024 -7.086 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.251 -8.332 -7.716 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.050 -8.953 -8.711 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.915 -6.644 -9.047 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.644 -6.008 -8.021 1.00 0.00 H new ATOM 249 N GLN A 18 -0.988 -9.889 -5.100 1.00 0.00 N ATOM 250 CA GLN A 18 -0.957 -11.163 -4.400 1.00 0.00 C ATOM 251 C GLN A 18 -2.063 -11.223 -3.363 1.00 0.00 C ATOM 252 O GLN A 18 -2.714 -12.255 -3.197 1.00 0.00 O ATOM 253 CB GLN A 18 0.394 -11.392 -3.732 1.00 0.00 C ATOM 254 CG GLN A 18 1.512 -11.743 -4.683 1.00 0.00 C ATOM 255 CD GLN A 18 2.847 -11.816 -3.986 1.00 0.00 C ATOM 256 OE1 GLN A 18 3.240 -12.866 -3.466 1.00 0.00 O ATOM 257 NE2 GLN A 18 3.560 -10.723 -3.991 1.00 0.00 N ATOM 0 H GLN A 18 -0.422 -9.162 -4.662 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.113 -11.952 -5.136 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.671 -10.492 -3.183 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.292 -12.193 -3.000 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.298 -12.701 -5.156 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.559 -10.998 -5.478 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.196 -9.879 -4.432 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.481 -10.713 -3.554 1.00 0.00 H new ATOM 266 N LEU A 19 -2.271 -10.128 -2.661 1.00 0.00 N ATOM 267 CA LEU A 19 -3.318 -10.041 -1.659 1.00 0.00 C ATOM 268 C LEU A 19 -4.409 -9.164 -2.251 1.00 0.00 C ATOM 269 O LEU A 19 -4.126 -8.067 -2.678 1.00 0.00 O ATOM 270 CB LEU A 19 -2.749 -9.403 -0.350 1.00 0.00 C ATOM 271 CG LEU A 19 -2.621 -7.865 -0.328 1.00 0.00 C ATOM 272 CD1 LEU A 19 -3.811 -7.210 0.352 1.00 0.00 C ATOM 273 CD2 LEU A 19 -1.313 -7.379 0.225 1.00 0.00 C ATOM 0 H LEU A 19 -1.722 -9.275 -2.767 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.709 -11.025 -1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.388 -9.703 0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.763 -9.829 -0.164 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.628 -7.551 -1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.683 -6.128 0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.724 -7.470 -0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.881 -7.562 1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.294 -6.289 0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.199 -7.730 1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.495 -7.765 -0.383 1.00 0.00 H new ATOM 285 N ASN A 20 -5.627 -9.644 -2.347 1.00 0.00 N ATOM 286 CA ASN A 20 -6.694 -8.804 -2.916 1.00 0.00 C ATOM 287 C ASN A 20 -8.080 -9.356 -2.713 1.00 0.00 C ATOM 288 O ASN A 20 -8.846 -8.767 -1.970 1.00 0.00 O ATOM 289 CB ASN A 20 -6.436 -8.428 -4.405 1.00 0.00 C ATOM 290 CG ASN A 20 -6.186 -9.622 -5.297 1.00 0.00 C ATOM 291 OD1 ASN A 20 -7.092 -10.164 -5.921 1.00 0.00 O ATOM 292 ND2 ASN A 20 -4.973 -10.080 -5.285 1.00 0.00 N ATOM 0 H ASN A 20 -5.914 -10.578 -2.054 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.654 -7.880 -2.339 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.295 -7.875 -4.785 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -5.577 -7.759 -4.458 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.741 -10.924 -5.809 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.251 -9.596 -4.752 1.00 0.00 H new ATOM 299 N GLU A 21 -8.347 -10.527 -3.295 1.00 0.00 N ATOM 300 CA GLU A 21 -9.674 -11.162 -3.343 1.00 0.00 C ATOM 301 C GLU A 21 -10.531 -10.942 -2.093 1.00 0.00 C ATOM 302 O GLU A 21 -11.498 -10.187 -2.127 1.00 0.00 O ATOM 303 CB GLU A 21 -9.521 -12.633 -3.651 1.00 0.00 C ATOM 304 CG GLU A 21 -10.829 -13.278 -3.937 1.00 0.00 C ATOM 305 CD GLU A 21 -11.551 -12.613 -5.071 1.00 0.00 C ATOM 306 OE1 GLU A 21 -10.994 -12.512 -6.182 1.00 0.00 O ATOM 307 OE2 GLU A 21 -12.694 -12.188 -4.874 1.00 0.00 O ATOM 0 H GLU A 21 -7.627 -11.079 -3.761 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.224 -10.667 -4.143 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.860 -12.758 -4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.046 -13.133 -2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.669 -14.329 -4.176 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.452 -13.246 -3.043 1.00 0.00 H new ATOM 314 N ASP A 22 -10.175 -11.553 -1.007 1.00 0.00 N ATOM 315 CA ASP A 22 -10.931 -11.355 0.221 1.00 0.00 C ATOM 316 C ASP A 22 -10.057 -10.633 1.230 1.00 0.00 C ATOM 317 O ASP A 22 -10.458 -10.313 2.337 1.00 0.00 O ATOM 318 CB ASP A 22 -11.405 -12.715 0.743 1.00 0.00 C ATOM 319 CG ASP A 22 -12.332 -12.629 1.924 1.00 0.00 C ATOM 320 OD1 ASP A 22 -13.537 -12.332 1.719 1.00 0.00 O ATOM 321 OD2 ASP A 22 -11.882 -12.870 3.072 1.00 0.00 O ATOM 0 H ASP A 22 -9.380 -12.187 -0.930 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.813 -10.740 0.039 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.910 -13.246 -0.064 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.534 -13.309 1.020 1.00 0.00 H new ATOM 326 N GLU A 23 -8.897 -10.290 0.767 1.00 0.00 N ATOM 327 CA GLU A 23 -7.842 -9.748 1.600 1.00 0.00 C ATOM 328 C GLU A 23 -7.923 -8.229 1.639 1.00 0.00 C ATOM 329 O GLU A 23 -7.729 -7.600 2.680 1.00 0.00 O ATOM 330 CB GLU A 23 -6.503 -10.130 0.983 1.00 0.00 C ATOM 331 CG GLU A 23 -6.475 -11.529 0.393 1.00 0.00 C ATOM 332 CD GLU A 23 -6.587 -12.646 1.412 1.00 0.00 C ATOM 333 OE1 GLU A 23 -7.720 -12.996 1.806 1.00 0.00 O ATOM 334 OE2 GLU A 23 -5.553 -13.236 1.777 1.00 0.00 O ATOM 0 H GLU A 23 -8.640 -10.376 -0.216 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.946 -10.143 2.610 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.256 -9.412 0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.727 -10.052 1.745 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.292 -11.624 -0.322 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.547 -11.655 -0.165 1.00 0.00 H new ATOM 341 N LEU A 24 -8.248 -7.639 0.499 1.00 0.00 N ATOM 342 CA LEU A 24 -8.224 -6.197 0.350 1.00 0.00 C ATOM 343 C LEU A 24 -9.372 -5.563 1.106 1.00 0.00 C ATOM 344 O LEU A 24 -9.323 -4.385 1.453 1.00 0.00 O ATOM 345 CB LEU A 24 -8.282 -5.819 -1.118 1.00 0.00 C ATOM 346 CG LEU A 24 -7.490 -4.587 -1.525 1.00 0.00 C ATOM 347 CD1 LEU A 24 -6.008 -4.804 -1.260 1.00 0.00 C ATOM 348 CD2 LEU A 24 -7.708 -4.292 -2.984 1.00 0.00 C ATOM 0 H LEU A 24 -8.533 -8.143 -0.341 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.290 -5.822 0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.924 -6.665 -1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.326 -5.661 -1.390 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.835 -3.739 -0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.451 -3.915 -1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.852 -4.993 -0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.657 -5.660 -1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.136 -3.408 -3.266 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.378 -5.143 -3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.768 -4.112 -3.164 1.00 0.00 H new ATOM 360 N LYS A 25 -10.377 -6.377 1.390 1.00 0.00 N ATOM 361 CA LYS A 25 -11.552 -5.976 2.157 1.00 0.00 C ATOM 362 C LYS A 25 -11.120 -5.475 3.536 1.00 0.00 C ATOM 363 O LYS A 25 -11.661 -4.498 4.065 1.00 0.00 O ATOM 364 CB LYS A 25 -12.470 -7.184 2.290 1.00 0.00 C ATOM 365 CG LYS A 25 -12.939 -7.720 0.945 1.00 0.00 C ATOM 366 CD LYS A 25 -13.613 -9.061 1.082 1.00 0.00 C ATOM 367 CE LYS A 25 -14.152 -9.544 -0.255 1.00 0.00 C ATOM 368 NZ LYS A 25 -14.832 -10.848 -0.143 1.00 0.00 N ATOM 0 H LYS A 25 -10.402 -7.352 1.090 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.081 -5.168 1.651 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.947 -7.974 2.828 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.338 -6.910 2.890 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.631 -7.010 0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.087 -7.809 0.272 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.904 -9.789 1.476 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.429 -8.989 1.802 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.849 -8.806 -0.652 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.332 -9.624 -0.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.123 -11.170 -1.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.182 -11.544 0.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.671 -10.751 0.464 1.00 0.00 H new ATOM 382 N SER A 26 -10.126 -6.140 4.083 1.00 0.00 N ATOM 383 CA SER A 26 -9.536 -5.798 5.312 1.00 0.00 C ATOM 384 C SER A 26 -8.685 -4.535 5.151 1.00 0.00 C ATOM 385 O SER A 26 -8.880 -3.534 5.845 1.00 0.00 O ATOM 386 CB SER A 26 -8.634 -6.946 5.655 1.00 0.00 C ATOM 387 OG SER A 26 -9.345 -8.174 5.699 1.00 0.00 O ATOM 0 H SER A 26 -9.707 -6.962 3.649 1.00 0.00 H new ATOM 0 HA SER A 26 -10.288 -5.610 6.078 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.834 -7.014 4.917 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.162 -6.763 6.621 1.00 0.00 H new ATOM 0 HG SER A 26 -8.728 -8.901 5.923 1.00 0.00 H new ATOM 393 N PHE A 27 -7.771 -4.609 4.194 1.00 0.00 N ATOM 394 CA PHE A 27 -6.776 -3.582 3.903 1.00 0.00 C ATOM 395 C PHE A 27 -7.409 -2.182 3.746 1.00 0.00 C ATOM 396 O PHE A 27 -6.925 -1.217 4.348 1.00 0.00 O ATOM 397 CB PHE A 27 -6.016 -4.000 2.630 1.00 0.00 C ATOM 398 CG PHE A 27 -4.824 -3.136 2.230 1.00 0.00 C ATOM 399 CD1 PHE A 27 -4.982 -1.833 1.771 1.00 0.00 C ATOM 400 CD2 PHE A 27 -3.540 -3.651 2.302 1.00 0.00 C ATOM 401 CE1 PHE A 27 -3.888 -1.068 1.412 1.00 0.00 C ATOM 402 CE2 PHE A 27 -2.444 -2.890 1.942 1.00 0.00 C ATOM 403 CZ PHE A 27 -2.618 -1.598 1.495 1.00 0.00 C ATOM 0 H PHE A 27 -7.698 -5.416 3.574 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.086 -3.503 4.743 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.665 -5.023 2.764 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.722 -4.011 1.800 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.974 -1.413 1.694 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.393 -4.664 2.645 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.028 -0.054 1.066 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.451 -3.308 2.011 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.763 -1.003 1.211 1.00 0.00 H new ATOM 413 N LYS A 28 -8.500 -2.092 2.972 1.00 0.00 N ATOM 414 CA LYS A 28 -9.187 -0.805 2.707 1.00 0.00 C ATOM 415 C LYS A 28 -9.689 -0.145 3.989 1.00 0.00 C ATOM 416 O LYS A 28 -9.751 1.067 4.094 1.00 0.00 O ATOM 417 CB LYS A 28 -10.339 -0.995 1.717 1.00 0.00 C ATOM 418 CG LYS A 28 -9.883 -1.469 0.351 1.00 0.00 C ATOM 419 CD LYS A 28 -11.052 -1.757 -0.568 1.00 0.00 C ATOM 420 CE LYS A 28 -10.556 -2.341 -1.876 1.00 0.00 C ATOM 421 NZ LYS A 28 -11.645 -2.747 -2.778 1.00 0.00 N ATOM 0 H LYS A 28 -8.932 -2.894 2.514 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.449 -0.137 2.263 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.046 -1.716 2.127 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.874 -0.052 1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.244 -0.711 -0.101 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.279 -2.369 0.463 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.739 -2.453 -0.087 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.609 -0.840 -0.759 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.930 -1.605 -2.381 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.926 -3.205 -1.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.251 -3.274 -3.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.315 -3.352 -2.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.140 -1.902 -3.127 1.00 0.00 H new ATOM 435 N SER A 29 -10.017 -0.940 4.947 1.00 0.00 N ATOM 436 CA SER A 29 -10.452 -0.466 6.199 1.00 0.00 C ATOM 437 C SER A 29 -9.268 -0.145 7.109 1.00 0.00 C ATOM 438 O SER A 29 -9.261 0.863 7.810 1.00 0.00 O ATOM 439 CB SER A 29 -11.313 -1.522 6.800 1.00 0.00 C ATOM 440 OG SER A 29 -12.645 -1.474 6.308 1.00 0.00 O ATOM 0 H SER A 29 -9.987 -1.957 4.873 1.00 0.00 H new ATOM 0 HA SER A 29 -11.013 0.461 6.077 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.885 -2.502 6.588 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.324 -1.406 7.884 1.00 0.00 H new ATOM 0 HG SER A 29 -13.174 -2.184 6.727 1.00 0.00 H new ATOM 446 N LEU A 30 -8.297 -1.010 7.092 1.00 0.00 N ATOM 447 CA LEU A 30 -7.076 -0.869 7.884 1.00 0.00 C ATOM 448 C LEU A 30 -6.293 0.405 7.586 1.00 0.00 C ATOM 449 O LEU A 30 -5.783 1.045 8.514 1.00 0.00 O ATOM 450 CB LEU A 30 -6.200 -2.081 7.707 1.00 0.00 C ATOM 451 CG LEU A 30 -6.751 -3.360 8.302 1.00 0.00 C ATOM 452 CD1 LEU A 30 -5.949 -4.523 7.806 1.00 0.00 C ATOM 453 CD2 LEU A 30 -6.674 -3.305 9.816 1.00 0.00 C ATOM 0 H LEU A 30 -8.316 -1.855 6.521 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.393 -0.789 8.924 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.031 -2.237 6.641 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.228 -1.878 8.157 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.793 -3.474 8.002 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.343 -5.445 8.233 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.011 -4.571 6.719 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.908 -4.401 8.105 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.073 -4.229 10.234 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.635 -3.186 10.123 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.259 -2.460 10.180 1.00 0.00 H new ATOM 465 N LEU A 31 -6.192 0.797 6.325 1.00 0.00 N ATOM 466 CA LEU A 31 -5.469 2.029 6.012 1.00 0.00 C ATOM 467 C LEU A 31 -6.354 3.255 6.279 1.00 0.00 C ATOM 468 O LEU A 31 -5.943 4.381 6.112 1.00 0.00 O ATOM 469 CB LEU A 31 -4.873 2.048 4.573 1.00 0.00 C ATOM 470 CG LEU A 31 -5.704 2.667 3.429 1.00 0.00 C ATOM 471 CD1 LEU A 31 -4.841 2.840 2.197 1.00 0.00 C ATOM 472 CD2 LEU A 31 -6.885 1.810 3.084 1.00 0.00 C ATOM 0 H LEU A 31 -6.585 0.303 5.524 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.610 2.069 6.681 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.924 2.582 4.617 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.647 1.018 4.296 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.066 3.637 3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.435 3.277 1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.004 3.499 2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.462 1.869 1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.448 2.275 2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.540 0.826 2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.526 1.705 3.959 1.00 0.00 H new ATOM 484 N TRP A 32 -7.559 3.007 6.710 1.00 0.00 N ATOM 485 CA TRP A 32 -8.453 4.066 7.076 1.00 0.00 C ATOM 486 C TRP A 32 -8.498 4.143 8.600 1.00 0.00 C ATOM 487 O TRP A 32 -9.108 5.043 9.181 1.00 0.00 O ATOM 488 CB TRP A 32 -9.844 3.749 6.558 1.00 0.00 C ATOM 489 CG TRP A 32 -10.520 4.915 5.950 1.00 0.00 C ATOM 490 CD1 TRP A 32 -11.572 5.633 6.438 1.00 0.00 C ATOM 491 CD2 TRP A 32 -10.169 5.496 4.718 1.00 0.00 C ATOM 492 NE1 TRP A 32 -11.904 6.626 5.548 1.00 0.00 N ATOM 493 CE2 TRP A 32 -11.050 6.557 4.479 1.00 0.00 C ATOM 494 CE3 TRP A 32 -9.184 5.200 3.785 1.00 0.00 C ATOM 495 CZ2 TRP A 32 -10.978 7.332 3.334 1.00 0.00 C ATOM 496 CZ3 TRP A 32 -9.104 5.969 2.644 1.00 0.00 C ATOM 497 CH2 TRP A 32 -10.001 7.023 2.425 1.00 0.00 C ATOM 0 H TRP A 32 -7.946 2.070 6.817 1.00 0.00 H new ATOM 0 HA TRP A 32 -8.113 5.011 6.653 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.776 2.951 5.819 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -10.453 3.372 7.379 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -12.068 5.449 7.380 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -12.660 7.301 5.664 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.495 4.385 3.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -11.665 8.148 3.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -8.341 5.757 1.910 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -9.920 7.605 1.519 1.00 0.00 H new ATOM 508 N ALA A 33 -7.850 3.168 9.233 1.00 0.00 N ATOM 509 CA ALA A 33 -7.878 3.007 10.675 1.00 0.00 C ATOM 510 C ALA A 33 -6.712 3.691 11.362 1.00 0.00 C ATOM 511 O ALA A 33 -6.777 3.978 12.557 1.00 0.00 O ATOM 512 CB ALA A 33 -7.913 1.534 11.042 1.00 0.00 C ATOM 0 H ALA A 33 -7.288 2.465 8.752 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.787 3.492 11.030 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -7.934 1.430 12.127 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.805 1.074 10.616 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.026 1.039 10.647 1.00 0.00 H new ATOM 518 N PHE A 34 -5.643 3.941 10.638 1.00 0.00 N ATOM 519 CA PHE A 34 -4.526 4.625 11.230 1.00 0.00 C ATOM 520 C PHE A 34 -4.820 6.130 11.173 1.00 0.00 C ATOM 521 O PHE A 34 -5.688 6.543 10.387 1.00 0.00 O ATOM 522 CB PHE A 34 -3.187 4.258 10.511 1.00 0.00 C ATOM 523 CG PHE A 34 -3.013 4.782 9.111 1.00 0.00 C ATOM 524 CD1 PHE A 34 -2.676 6.108 8.885 1.00 0.00 C ATOM 525 CD2 PHE A 34 -3.184 3.956 8.032 1.00 0.00 C ATOM 526 CE1 PHE A 34 -2.523 6.590 7.616 1.00 0.00 C ATOM 527 CE2 PHE A 34 -3.032 4.440 6.752 1.00 0.00 C ATOM 528 CZ PHE A 34 -2.708 5.757 6.543 1.00 0.00 C ATOM 0 H PHE A 34 -5.528 3.685 9.657 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.398 4.317 12.268 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.361 4.627 11.119 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.101 3.172 10.482 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.532 6.770 9.726 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.440 2.918 8.186 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.257 7.625 7.458 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.168 3.780 5.908 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.599 6.136 5.537 1.00 0.00 H new ATOM 672 N THR A 43 -8.036 11.565 0.429 1.00 0.00 N ATOM 673 CA THR A 43 -8.011 10.262 -0.196 1.00 0.00 C ATOM 674 C THR A 43 -9.327 9.902 -0.878 1.00 0.00 C ATOM 675 O THR A 43 -10.382 9.872 -0.238 1.00 0.00 O ATOM 676 CB THR A 43 -7.679 9.215 0.860 1.00 0.00 C ATOM 677 OG1 THR A 43 -8.286 9.614 2.108 1.00 0.00 O ATOM 678 CG2 THR A 43 -6.180 9.058 1.023 1.00 0.00 C ATOM 0 HA THR A 43 -7.250 10.287 -0.976 1.00 0.00 H new ATOM 0 HB THR A 43 -8.073 8.248 0.547 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.899 8.913 2.413 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.974 8.304 1.783 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.742 8.747 0.075 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.746 10.010 1.329 1.00 0.00 H new ATOM 686 N PRO A 44 -9.301 9.682 -2.187 1.00 0.00 N ATOM 687 CA PRO A 44 -10.475 9.266 -2.908 1.00 0.00 C ATOM 688 C PRO A 44 -10.836 7.798 -2.622 1.00 0.00 C ATOM 689 O PRO A 44 -10.311 6.877 -3.256 1.00 0.00 O ATOM 690 CB PRO A 44 -10.108 9.474 -4.383 1.00 0.00 C ATOM 691 CG PRO A 44 -8.614 9.415 -4.422 1.00 0.00 C ATOM 692 CD PRO A 44 -8.133 9.887 -3.075 1.00 0.00 C ATOM 0 HA PRO A 44 -11.357 9.835 -2.613 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.550 8.702 -5.012 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.475 10.433 -4.750 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.271 8.400 -4.623 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.221 10.048 -5.218 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.269 9.315 -2.737 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.831 10.934 -3.103 1.00 0.00 H new ATOM 700 N TRP A 45 -11.686 7.582 -1.621 1.00 0.00 N ATOM 701 CA TRP A 45 -12.164 6.243 -1.279 1.00 0.00 C ATOM 702 C TRP A 45 -12.947 5.664 -2.451 1.00 0.00 C ATOM 703 O TRP A 45 -12.911 4.478 -2.678 1.00 0.00 O ATOM 704 CB TRP A 45 -13.025 6.262 0.015 1.00 0.00 C ATOM 705 CG TRP A 45 -13.670 4.932 0.382 1.00 0.00 C ATOM 706 CD1 TRP A 45 -14.781 4.388 -0.188 1.00 0.00 C ATOM 707 CD2 TRP A 45 -13.265 4.004 1.404 1.00 0.00 C ATOM 708 NE1 TRP A 45 -15.077 3.190 0.388 1.00 0.00 N ATOM 709 CE2 TRP A 45 -14.173 2.928 1.372 1.00 0.00 C ATOM 710 CE3 TRP A 45 -12.234 3.973 2.331 1.00 0.00 C ATOM 711 CZ2 TRP A 45 -14.072 1.835 2.232 1.00 0.00 C ATOM 712 CZ3 TRP A 45 -12.135 2.892 3.186 1.00 0.00 C ATOM 713 CH2 TRP A 45 -13.046 1.836 3.134 1.00 0.00 C ATOM 0 H TRP A 45 -12.061 8.323 -1.028 1.00 0.00 H new ATOM 0 HA TRP A 45 -11.302 5.606 -1.081 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -12.397 6.585 0.846 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -13.810 7.009 -0.101 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -15.348 4.844 -0.986 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -15.854 2.584 0.124 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -11.520 4.781 2.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -14.778 1.019 2.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -11.335 2.864 3.911 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -12.938 1.007 3.817 1.00 0.00 H new ATOM 724 N SER A 46 -13.629 6.517 -3.206 1.00 0.00 N ATOM 725 CA SER A 46 -14.361 6.078 -4.388 1.00 0.00 C ATOM 726 C SER A 46 -13.423 5.327 -5.361 1.00 0.00 C ATOM 727 O SER A 46 -13.821 4.361 -6.008 1.00 0.00 O ATOM 728 CB SER A 46 -15.022 7.278 -5.051 1.00 0.00 C ATOM 729 OG SER A 46 -15.902 7.926 -4.127 1.00 0.00 O ATOM 0 H SER A 46 -13.690 7.518 -3.020 1.00 0.00 H new ATOM 0 HA SER A 46 -15.143 5.378 -4.093 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.261 7.979 -5.394 1.00 0.00 H new ATOM 0 HB3 SER A 46 -15.579 6.956 -5.931 1.00 0.00 H new ATOM 0 HG SER A 46 -16.322 8.698 -4.561 1.00 0.00 H new ATOM 735 N GLU A 47 -12.167 5.761 -5.415 1.00 0.00 N ATOM 736 CA GLU A 47 -11.148 5.069 -6.172 1.00 0.00 C ATOM 737 C GLU A 47 -10.787 3.766 -5.470 1.00 0.00 C ATOM 738 O GLU A 47 -10.900 2.695 -6.055 1.00 0.00 O ATOM 739 CB GLU A 47 -9.890 5.935 -6.324 1.00 0.00 C ATOM 740 CG GLU A 47 -9.977 7.038 -7.361 1.00 0.00 C ATOM 741 CD GLU A 47 -10.016 6.491 -8.768 1.00 0.00 C ATOM 742 OE1 GLU A 47 -8.979 5.996 -9.266 1.00 0.00 O ATOM 743 OE2 GLU A 47 -11.078 6.549 -9.424 1.00 0.00 O ATOM 0 H GLU A 47 -11.836 6.598 -4.936 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.543 4.858 -7.166 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.662 6.386 -5.358 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.052 5.286 -6.579 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.870 7.636 -7.180 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.121 7.704 -7.255 1.00 0.00 H new ATOM 750 N VAL A 48 -10.429 3.867 -4.175 1.00 0.00 N ATOM 751 CA VAL A 48 -9.935 2.712 -3.385 1.00 0.00 C ATOM 752 C VAL A 48 -10.968 1.575 -3.325 1.00 0.00 C ATOM 753 O VAL A 48 -10.609 0.408 -3.280 1.00 0.00 O ATOM 754 CB VAL A 48 -9.508 3.099 -1.907 1.00 0.00 C ATOM 755 CG1 VAL A 48 -8.751 4.395 -1.832 1.00 0.00 C ATOM 756 CG2 VAL A 48 -10.643 3.038 -0.892 1.00 0.00 C ATOM 0 H VAL A 48 -10.472 4.739 -3.648 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.046 2.370 -3.915 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.814 2.312 -1.613 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.488 4.603 -0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.842 4.321 -2.429 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.373 5.203 -2.218 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.266 3.317 0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.433 3.729 -1.187 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.043 2.025 -0.854 1.00 0.00 H new ATOM 766 N GLU A 49 -12.239 1.951 -3.346 1.00 0.00 N ATOM 767 CA GLU A 49 -13.348 1.048 -3.238 1.00 0.00 C ATOM 768 C GLU A 49 -13.333 0.039 -4.367 1.00 0.00 C ATOM 769 O GLU A 49 -13.398 -1.164 -4.136 1.00 0.00 O ATOM 770 CB GLU A 49 -14.622 1.857 -3.268 1.00 0.00 C ATOM 771 CG GLU A 49 -15.742 1.227 -2.481 1.00 0.00 C ATOM 772 CD GLU A 49 -16.375 0.032 -3.125 1.00 0.00 C ATOM 773 OE1 GLU A 49 -17.200 0.212 -4.046 1.00 0.00 O ATOM 774 OE2 GLU A 49 -16.095 -1.101 -2.698 1.00 0.00 O ATOM 0 H GLU A 49 -12.523 2.926 -3.442 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.280 0.493 -2.303 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.422 2.852 -2.871 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.940 1.984 -4.303 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.359 0.934 -1.504 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.512 1.979 -2.309 1.00 0.00 H new ATOM 781 N GLU A 50 -13.173 0.520 -5.578 1.00 0.00 N ATOM 782 CA GLU A 50 -13.207 -0.360 -6.730 1.00 0.00 C ATOM 783 C GLU A 50 -11.811 -0.824 -7.104 1.00 0.00 C ATOM 784 O GLU A 50 -11.638 -1.696 -7.968 1.00 0.00 O ATOM 785 CB GLU A 50 -13.839 0.325 -7.927 1.00 0.00 C ATOM 786 CG GLU A 50 -15.208 0.897 -7.660 1.00 0.00 C ATOM 787 CD GLU A 50 -15.889 1.316 -8.922 1.00 0.00 C ATOM 788 OE1 GLU A 50 -15.504 2.343 -9.512 1.00 0.00 O ATOM 789 OE2 GLU A 50 -16.822 0.612 -9.356 1.00 0.00 O ATOM 0 H GLU A 50 -13.019 1.505 -5.793 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.811 -1.224 -6.453 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.181 1.127 -8.261 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.910 -0.391 -8.746 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.819 0.154 -7.147 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.120 1.754 -6.992 1.00 0.00 H new ATOM 796 N ALA A 51 -10.834 -0.240 -6.466 1.00 0.00 N ATOM 797 CA ALA A 51 -9.458 -0.525 -6.743 1.00 0.00 C ATOM 798 C ALA A 51 -9.009 -1.796 -6.103 1.00 0.00 C ATOM 799 O ALA A 51 -9.404 -2.130 -4.976 1.00 0.00 O ATOM 800 CB ALA A 51 -8.576 0.607 -6.287 1.00 0.00 C ATOM 0 H ALA A 51 -10.975 0.454 -5.732 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.371 -0.641 -7.823 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.535 0.369 -6.507 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.858 1.521 -6.810 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.696 0.752 -5.213 1.00 0.00 H new ATOM 806 N ASP A 52 -8.205 -2.505 -6.826 1.00 0.00 N ATOM 807 CA ASP A 52 -7.588 -3.687 -6.351 1.00 0.00 C ATOM 808 C ASP A 52 -6.193 -3.699 -6.888 1.00 0.00 C ATOM 809 O ASP A 52 -5.927 -3.046 -7.911 1.00 0.00 O ATOM 810 CB ASP A 52 -8.324 -4.952 -6.812 1.00 0.00 C ATOM 811 CG ASP A 52 -8.049 -5.335 -8.257 1.00 0.00 C ATOM 812 OD1 ASP A 52 -8.705 -4.815 -9.161 1.00 0.00 O ATOM 813 OD2 ASP A 52 -7.150 -6.176 -8.498 1.00 0.00 O ATOM 0 H ASP A 52 -7.957 -2.267 -7.786 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.607 -3.690 -5.261 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.038 -5.782 -6.166 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.396 -4.803 -6.684 1.00 0.00 H new ATOM 818 N GLY A 53 -5.303 -4.356 -6.173 1.00 0.00 N ATOM 819 CA GLY A 53 -3.937 -4.557 -6.609 1.00 0.00 C ATOM 820 C GLY A 53 -3.220 -3.303 -7.060 1.00 0.00 C ATOM 821 O GLY A 53 -2.918 -2.420 -6.246 1.00 0.00 O ATOM 0 H GLY A 53 -5.510 -4.769 -5.264 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.373 -5.006 -5.792 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.935 -5.274 -7.430 1.00 0.00 H new ATOM 825 N LYS A 54 -3.013 -3.197 -8.372 1.00 0.00 N ATOM 826 CA LYS A 54 -2.253 -2.099 -8.946 1.00 0.00 C ATOM 827 C LYS A 54 -2.967 -0.809 -8.717 1.00 0.00 C ATOM 828 O LYS A 54 -2.356 0.193 -8.344 1.00 0.00 O ATOM 829 CB LYS A 54 -2.056 -2.265 -10.450 1.00 0.00 C ATOM 830 CG LYS A 54 -0.943 -1.380 -11.007 1.00 0.00 C ATOM 831 CD LYS A 54 -1.367 -0.361 -12.082 1.00 0.00 C ATOM 832 CE LYS A 54 -2.180 0.786 -11.522 1.00 0.00 C ATOM 833 NZ LYS A 54 -2.377 1.875 -12.507 1.00 0.00 N ATOM 0 H LYS A 54 -3.366 -3.865 -9.057 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.279 -2.099 -8.458 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.827 -3.308 -10.668 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.990 -2.030 -10.961 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.488 -0.837 -10.179 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.171 -2.023 -11.428 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.477 0.036 -12.570 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.949 -0.871 -12.849 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.152 0.414 -11.197 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.680 1.185 -10.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.708 2.730 -12.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.476 2.077 -12.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.085 1.583 -13.211 1.00 0.00 H new ATOM 847 N LYS A 55 -4.271 -0.831 -8.932 1.00 0.00 N ATOM 848 CA LYS A 55 -5.070 0.363 -8.806 1.00 0.00 C ATOM 849 C LYS A 55 -4.978 0.943 -7.416 1.00 0.00 C ATOM 850 O LYS A 55 -4.953 2.139 -7.252 1.00 0.00 O ATOM 851 CB LYS A 55 -6.537 0.135 -9.183 1.00 0.00 C ATOM 852 CG LYS A 55 -6.874 0.336 -10.646 1.00 0.00 C ATOM 853 CD LYS A 55 -6.807 1.814 -11.064 1.00 0.00 C ATOM 854 CE LYS A 55 -7.805 2.693 -10.288 1.00 0.00 C ATOM 855 NZ LYS A 55 -7.759 4.103 -10.734 1.00 0.00 N ATOM 0 H LYS A 55 -4.794 -1.666 -9.195 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.656 1.079 -9.516 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.813 -0.881 -8.901 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.155 0.809 -8.590 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.183 -0.244 -11.258 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.875 -0.049 -10.842 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.796 2.188 -10.902 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.010 1.896 -12.132 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.814 2.302 -10.422 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.582 2.642 -9.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.342 4.687 -10.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.776 4.443 -10.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.126 4.172 -11.705 1.00 0.00 H new ATOM 869 N LEU A 56 -4.889 0.085 -6.431 1.00 0.00 N ATOM 870 CA LEU A 56 -4.806 0.537 -5.076 1.00 0.00 C ATOM 871 C LEU A 56 -3.443 1.185 -4.807 1.00 0.00 C ATOM 872 O LEU A 56 -3.370 2.252 -4.204 1.00 0.00 O ATOM 873 CB LEU A 56 -5.084 -0.597 -4.105 1.00 0.00 C ATOM 874 CG LEU A 56 -5.191 -0.182 -2.635 1.00 0.00 C ATOM 875 CD1 LEU A 56 -6.345 0.792 -2.419 1.00 0.00 C ATOM 876 CD2 LEU A 56 -5.356 -1.389 -1.762 1.00 0.00 C ATOM 0 H LEU A 56 -4.873 -0.928 -6.548 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.574 1.295 -4.920 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.014 -1.085 -4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.291 -1.339 -4.200 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.266 0.326 -2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.396 1.068 -1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.184 1.686 -3.021 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.281 0.319 -2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.431 -1.077 -0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.263 -1.923 -2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.495 -2.046 -1.883 1.00 0.00 H new ATOM 888 N ALA A 57 -2.377 0.562 -5.317 1.00 0.00 N ATOM 889 CA ALA A 57 -0.999 1.085 -5.176 1.00 0.00 C ATOM 890 C ALA A 57 -0.900 2.484 -5.778 1.00 0.00 C ATOM 891 O ALA A 57 -0.207 3.361 -5.259 1.00 0.00 O ATOM 892 CB ALA A 57 -0.014 0.159 -5.874 1.00 0.00 C ATOM 0 H ALA A 57 -2.435 -0.314 -5.837 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.755 1.136 -4.115 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.996 0.553 -5.764 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.067 -0.833 -5.426 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.264 0.093 -6.933 1.00 0.00 H new ATOM 898 N GLU A 58 -1.646 2.671 -6.844 1.00 0.00 N ATOM 899 CA GLU A 58 -1.745 3.922 -7.580 1.00 0.00 C ATOM 900 C GLU A 58 -2.281 5.035 -6.676 1.00 0.00 C ATOM 901 O GLU A 58 -1.809 6.172 -6.718 1.00 0.00 O ATOM 902 CB GLU A 58 -2.698 3.682 -8.745 1.00 0.00 C ATOM 903 CG GLU A 58 -3.028 4.867 -9.615 1.00 0.00 C ATOM 904 CD GLU A 58 -4.152 4.526 -10.557 1.00 0.00 C ATOM 905 OE1 GLU A 58 -3.938 3.751 -11.502 1.00 0.00 O ATOM 906 OE2 GLU A 58 -5.292 4.980 -10.333 1.00 0.00 O ATOM 0 H GLU A 58 -2.224 1.931 -7.241 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.765 4.236 -7.939 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.269 2.906 -9.379 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.631 3.287 -8.343 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.311 5.716 -8.993 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.147 5.167 -10.182 1.00 0.00 H new ATOM 913 N ILE A 59 -3.228 4.685 -5.846 1.00 0.00 N ATOM 914 CA ILE A 59 -3.869 5.625 -4.952 1.00 0.00 C ATOM 915 C ILE A 59 -2.948 5.915 -3.759 1.00 0.00 C ATOM 916 O ILE A 59 -2.921 7.039 -3.217 1.00 0.00 O ATOM 917 CB ILE A 59 -5.233 5.064 -4.498 1.00 0.00 C ATOM 918 CG1 ILE A 59 -6.047 4.730 -5.752 1.00 0.00 C ATOM 919 CG2 ILE A 59 -5.973 6.105 -3.654 1.00 0.00 C ATOM 920 CD1 ILE A 59 -7.145 3.730 -5.553 1.00 0.00 C ATOM 0 H ILE A 59 -3.582 3.732 -5.767 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.051 6.567 -5.470 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.091 4.170 -3.890 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.482 5.651 -6.139 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.368 4.353 -6.517 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.935 5.700 -3.338 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.377 6.352 -2.775 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.135 7.005 -4.247 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.660 3.563 -6.499 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.721 2.790 -5.199 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.853 4.109 -4.816 1.00 0.00 H new ATOM 932 N LEU A 60 -2.162 4.915 -3.378 1.00 0.00 N ATOM 933 CA LEU A 60 -1.153 5.094 -2.336 1.00 0.00 C ATOM 934 C LEU A 60 -0.073 6.062 -2.796 1.00 0.00 C ATOM 935 O LEU A 60 0.249 7.010 -2.089 1.00 0.00 O ATOM 936 CB LEU A 60 -0.500 3.759 -1.886 1.00 0.00 C ATOM 937 CG LEU A 60 -1.200 2.938 -0.774 1.00 0.00 C ATOM 938 CD1 LEU A 60 -1.291 3.732 0.520 1.00 0.00 C ATOM 939 CD2 LEU A 60 -2.571 2.448 -1.196 1.00 0.00 C ATOM 0 H LEU A 60 -2.202 3.975 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.676 5.506 -1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.410 3.120 -2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.512 3.981 -1.548 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.581 2.058 -0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.787 3.130 1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.288 3.992 0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.863 4.643 0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.020 1.878 -0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.205 3.302 -1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.475 1.811 -2.075 1.00 0.00 H new ATOM 951 N VAL A 61 0.436 5.864 -4.014 1.00 0.00 N ATOM 952 CA VAL A 61 1.523 6.703 -4.527 1.00 0.00 C ATOM 953 C VAL A 61 0.983 8.083 -4.981 1.00 0.00 C ATOM 954 O VAL A 61 1.735 9.024 -5.235 1.00 0.00 O ATOM 955 CB VAL A 61 2.304 5.976 -5.673 1.00 0.00 C ATOM 956 CG1 VAL A 61 1.454 5.801 -6.913 1.00 0.00 C ATOM 957 CG2 VAL A 61 3.626 6.663 -5.996 1.00 0.00 C ATOM 0 H VAL A 61 0.118 5.139 -4.657 1.00 0.00 H new ATOM 0 HA VAL A 61 2.232 6.878 -3.718 1.00 0.00 H new ATOM 0 HB VAL A 61 2.545 4.980 -5.300 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.034 5.293 -7.683 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.574 5.206 -6.670 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.141 6.778 -7.281 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.131 6.122 -6.796 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.435 7.688 -6.314 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.258 6.671 -5.108 1.00 0.00 H new ATOM 967 N ASN A 62 -0.328 8.177 -5.072 1.00 0.00 N ATOM 968 CA ASN A 62 -1.013 9.428 -5.391 1.00 0.00 C ATOM 969 C ASN A 62 -0.907 10.365 -4.188 1.00 0.00 C ATOM 970 O ASN A 62 -0.588 11.556 -4.312 1.00 0.00 O ATOM 971 CB ASN A 62 -2.514 9.131 -5.685 1.00 0.00 C ATOM 972 CG ASN A 62 -3.398 10.352 -6.014 1.00 0.00 C ATOM 973 OD1 ASN A 62 -3.142 11.473 -5.609 1.00 0.00 O ATOM 974 ND2 ASN A 62 -4.480 10.113 -6.701 1.00 0.00 N ATOM 0 H ASN A 62 -0.958 7.388 -4.927 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.557 9.892 -6.266 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.568 8.434 -6.521 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.939 8.624 -4.819 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.130 10.871 -6.908 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.676 9.168 -7.031 1.00 0.00 H new ATOM 981 N THR A 63 -1.131 9.812 -3.028 1.00 0.00 N ATOM 982 CA THR A 63 -1.214 10.590 -1.834 1.00 0.00 C ATOM 983 C THR A 63 0.089 10.608 -1.034 1.00 0.00 C ATOM 984 O THR A 63 0.593 11.674 -0.684 1.00 0.00 O ATOM 985 CB THR A 63 -2.385 10.091 -0.961 1.00 0.00 C ATOM 986 OG1 THR A 63 -2.318 8.652 -0.853 1.00 0.00 O ATOM 987 CG2 THR A 63 -3.720 10.495 -1.572 1.00 0.00 C ATOM 0 H THR A 63 -1.260 8.810 -2.889 1.00 0.00 H new ATOM 0 HA THR A 63 -1.396 11.621 -2.138 1.00 0.00 H new ATOM 0 HB THR A 63 -2.306 10.543 0.028 1.00 0.00 H new ATOM 0 HG1 THR A 63 -2.666 8.246 -1.674 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.533 10.134 -0.942 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.773 11.581 -1.645 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.811 10.059 -2.567 1.00 0.00 H new ATOM 995 N SER A 64 0.653 9.472 -0.801 1.00 0.00 N ATOM 996 CA SER A 64 1.776 9.384 0.075 1.00 0.00 C ATOM 997 C SER A 64 3.097 9.337 -0.681 1.00 0.00 C ATOM 998 O SER A 64 3.152 8.932 -1.842 1.00 0.00 O ATOM 999 CB SER A 64 1.610 8.162 0.932 1.00 0.00 C ATOM 1000 OG SER A 64 0.348 8.176 1.558 1.00 0.00 O ATOM 0 H SER A 64 0.354 8.585 -1.207 1.00 0.00 H new ATOM 0 HA SER A 64 1.810 10.281 0.693 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.712 7.264 0.322 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.397 8.127 1.685 1.00 0.00 H new ATOM 0 HG SER A 64 0.385 7.645 2.381 1.00 0.00 H new ATOM 1006 N SER A 65 4.143 9.766 -0.019 1.00 0.00 N ATOM 1007 CA SER A 65 5.465 9.745 -0.551 1.00 0.00 C ATOM 1008 C SER A 65 6.098 8.382 -0.284 1.00 0.00 C ATOM 1009 O SER A 65 5.710 7.691 0.671 1.00 0.00 O ATOM 1010 CB SER A 65 6.247 10.868 0.110 1.00 0.00 C ATOM 1011 OG SER A 65 5.993 10.873 1.510 1.00 0.00 O ATOM 0 H SER A 65 4.088 10.146 0.926 1.00 0.00 H new ATOM 0 HA SER A 65 5.463 9.898 -1.630 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.313 10.739 -0.075 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.962 11.826 -0.324 1.00 0.00 H new ATOM 0 HG SER A 65 6.501 11.597 1.932 1.00 0.00 H new ATOM 1017 N GLU A 66 7.062 7.999 -1.101 1.00 0.00 N ATOM 1018 CA GLU A 66 7.705 6.688 -0.994 1.00 0.00 C ATOM 1019 C GLU A 66 8.335 6.421 0.389 1.00 0.00 C ATOM 1020 O GLU A 66 8.279 5.299 0.906 1.00 0.00 O ATOM 1021 CB GLU A 66 8.664 6.456 -2.187 1.00 0.00 C ATOM 1022 CG GLU A 66 9.721 7.534 -2.450 1.00 0.00 C ATOM 1023 CD GLU A 66 10.953 7.422 -1.583 1.00 0.00 C ATOM 1024 OE1 GLU A 66 11.862 6.652 -1.939 1.00 0.00 O ATOM 1025 OE2 GLU A 66 11.050 8.118 -0.565 1.00 0.00 O ATOM 0 H GLU A 66 7.425 8.580 -1.857 1.00 0.00 H new ATOM 0 HA GLU A 66 6.925 5.930 -1.064 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.179 5.508 -2.028 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.062 6.345 -3.089 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.022 7.484 -3.496 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.270 8.514 -2.295 1.00 0.00 H new ATOM 1032 N ASN A 67 8.840 7.472 0.999 1.00 0.00 N ATOM 1033 CA ASN A 67 9.461 7.426 2.336 1.00 0.00 C ATOM 1034 C ASN A 67 8.427 7.096 3.408 1.00 0.00 C ATOM 1035 O ASN A 67 8.742 6.513 4.439 1.00 0.00 O ATOM 1036 CB ASN A 67 10.136 8.787 2.635 1.00 0.00 C ATOM 1037 CG ASN A 67 10.739 8.907 4.039 1.00 0.00 C ATOM 1038 OD1 ASN A 67 11.898 8.563 4.269 1.00 0.00 O ATOM 1039 ND2 ASN A 67 9.988 9.447 4.967 1.00 0.00 N ATOM 0 H ASN A 67 8.838 8.405 0.586 1.00 0.00 H new ATOM 0 HA ASN A 67 10.214 6.638 2.348 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.923 8.956 1.900 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.400 9.580 2.501 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.361 9.591 5.905 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.030 9.724 4.751 1.00 0.00 H new ATOM 1046 N TRP A 68 7.200 7.445 3.140 1.00 0.00 N ATOM 1047 CA TRP A 68 6.125 7.216 4.063 1.00 0.00 C ATOM 1048 C TRP A 68 5.497 5.848 3.772 1.00 0.00 C ATOM 1049 O TRP A 68 5.276 5.033 4.688 1.00 0.00 O ATOM 1050 CB TRP A 68 5.088 8.341 3.896 1.00 0.00 C ATOM 1051 CG TRP A 68 3.989 8.341 4.904 1.00 0.00 C ATOM 1052 CD1 TRP A 68 3.942 9.066 6.049 1.00 0.00 C ATOM 1053 CD2 TRP A 68 2.775 7.595 4.857 1.00 0.00 C ATOM 1054 NE1 TRP A 68 2.778 8.810 6.718 1.00 0.00 N ATOM 1055 CE2 TRP A 68 2.050 7.913 6.009 1.00 0.00 C ATOM 1056 CE3 TRP A 68 2.232 6.690 3.955 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 0.822 7.358 6.283 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 1.009 6.142 4.226 1.00 0.00 C ATOM 1059 CH2 TRP A 68 0.318 6.475 5.377 1.00 0.00 C ATOM 0 H TRP A 68 6.917 7.898 2.271 1.00 0.00 H new ATOM 0 HA TRP A 68 6.490 7.218 5.090 1.00 0.00 H new ATOM 0 HB2 TRP A 68 5.604 9.300 3.943 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.648 8.264 2.902 1.00 0.00 H new ATOM 0 HD1 TRP A 68 4.712 9.746 6.383 1.00 0.00 H new ATOM 0 HE1 TRP A 68 2.502 9.227 7.607 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.766 6.424 3.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 0.279 7.612 7.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 0.576 5.438 3.531 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -0.645 6.023 5.562 1.00 0.00 H new ATOM 1070 N ILE A 69 5.253 5.579 2.482 1.00 0.00 N ATOM 1071 CA ILE A 69 4.594 4.343 2.043 1.00 0.00 C ATOM 1072 C ILE A 69 5.381 3.104 2.466 1.00 0.00 C ATOM 1073 O ILE A 69 4.779 2.078 2.811 1.00 0.00 O ATOM 1074 CB ILE A 69 4.373 4.287 0.499 1.00 0.00 C ATOM 1075 CG1 ILE A 69 3.603 5.501 0.012 1.00 0.00 C ATOM 1076 CG2 ILE A 69 3.587 3.036 0.138 1.00 0.00 C ATOM 1077 CD1 ILE A 69 3.458 5.573 -1.494 1.00 0.00 C ATOM 0 H ILE A 69 5.505 6.207 1.719 1.00 0.00 H new ATOM 0 HA ILE A 69 3.620 4.349 2.532 1.00 0.00 H new ATOM 0 HB ILE A 69 5.352 4.272 0.021 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.611 5.494 0.463 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.106 6.402 0.362 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.435 3.001 -0.941 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.142 2.153 0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.620 3.056 0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.897 6.468 -1.763 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.446 5.613 -1.953 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.927 4.690 -1.851 1.00 0.00 H new ATOM 1089 N ARG A 70 6.717 3.220 2.467 1.00 0.00 N ATOM 1090 CA ARG A 70 7.611 2.103 2.816 1.00 0.00 C ATOM 1091 C ARG A 70 7.238 1.480 4.170 1.00 0.00 C ATOM 1092 O ARG A 70 7.247 0.268 4.323 1.00 0.00 O ATOM 1093 CB ARG A 70 9.102 2.536 2.798 1.00 0.00 C ATOM 1094 CG ARG A 70 9.492 3.555 3.856 1.00 0.00 C ATOM 1095 CD ARG A 70 10.979 3.871 3.814 1.00 0.00 C ATOM 1096 NE ARG A 70 11.342 4.899 4.800 1.00 0.00 N ATOM 1097 CZ ARG A 70 12.598 5.289 5.098 1.00 0.00 C ATOM 1098 NH1 ARG A 70 13.648 4.665 4.570 1.00 0.00 N ATOM 1099 NH2 ARG A 70 12.794 6.274 5.956 1.00 0.00 N ATOM 0 H ARG A 70 7.206 4.083 2.228 1.00 0.00 H new ATOM 0 HA ARG A 70 7.477 1.339 2.051 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.723 1.649 2.924 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.332 2.949 1.816 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.921 4.471 3.706 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.229 3.174 4.843 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.550 2.963 4.007 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.251 4.212 2.815 1.00 0.00 H new ATOM 0 HE ARG A 70 10.580 5.356 5.301 1.00 0.00 H new ATOM 0 HH11 ARG A 70 13.508 3.882 3.932 1.00 0.00 H new ATOM 0 HH12 ARG A 70 14.593 4.970 4.804 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.996 6.737 6.391 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.743 6.571 6.183 1.00 0.00 H new ATOM 1113 N ASN A 71 6.849 2.319 5.114 1.00 0.00 N ATOM 1114 CA ASN A 71 6.467 1.851 6.433 1.00 0.00 C ATOM 1115 C ASN A 71 4.999 1.475 6.446 1.00 0.00 C ATOM 1116 O ASN A 71 4.605 0.453 7.015 1.00 0.00 O ATOM 1117 CB ASN A 71 6.749 2.936 7.489 1.00 0.00 C ATOM 1118 CG ASN A 71 6.362 2.513 8.907 1.00 0.00 C ATOM 1119 OD1 ASN A 71 7.125 1.837 9.595 1.00 0.00 O ATOM 1120 ND2 ASN A 71 5.216 2.969 9.379 1.00 0.00 N ATOM 0 H ASN A 71 6.790 3.330 4.990 1.00 0.00 H new ATOM 0 HA ASN A 71 7.059 0.969 6.676 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.810 3.187 7.468 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.202 3.841 7.225 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.942 2.763 10.340 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.605 3.527 8.783 1.00 0.00 H new ATOM 1127 N ALA A 72 4.207 2.286 5.767 1.00 0.00 N ATOM 1128 CA ALA A 72 2.761 2.142 5.719 1.00 0.00 C ATOM 1129 C ALA A 72 2.307 0.796 5.188 1.00 0.00 C ATOM 1130 O ALA A 72 1.530 0.105 5.843 1.00 0.00 O ATOM 1131 CB ALA A 72 2.171 3.218 4.871 1.00 0.00 C ATOM 0 H ALA A 72 4.555 3.076 5.224 1.00 0.00 H new ATOM 0 HA ALA A 72 2.413 2.220 6.749 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.087 3.104 4.840 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.421 4.192 5.292 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.573 3.146 3.860 1.00 0.00 H new ATOM 1137 N THR A 73 2.797 0.423 4.013 1.00 0.00 N ATOM 1138 CA THR A 73 2.371 -0.808 3.377 1.00 0.00 C ATOM 1139 C THR A 73 2.737 -2.013 4.236 1.00 0.00 C ATOM 1140 O THR A 73 1.914 -2.912 4.412 1.00 0.00 O ATOM 1141 CB THR A 73 2.906 -0.947 1.903 1.00 0.00 C ATOM 1142 OG1 THR A 73 2.386 -2.127 1.281 1.00 0.00 O ATOM 1143 CG2 THR A 73 4.435 -0.981 1.842 1.00 0.00 C ATOM 0 H THR A 73 3.488 0.956 3.485 1.00 0.00 H new ATOM 0 HA THR A 73 1.285 -0.771 3.295 1.00 0.00 H new ATOM 0 HB THR A 73 2.561 -0.064 1.365 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.730 -2.193 0.366 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.756 -1.078 0.805 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.836 -0.058 2.261 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.803 -1.831 2.416 1.00 0.00 H new ATOM 1151 N VAL A 74 3.932 -1.987 4.822 1.00 0.00 N ATOM 1152 CA VAL A 74 4.379 -3.047 5.696 1.00 0.00 C ATOM 1153 C VAL A 74 3.444 -3.144 6.888 1.00 0.00 C ATOM 1154 O VAL A 74 2.933 -4.203 7.182 1.00 0.00 O ATOM 1155 CB VAL A 74 5.852 -2.822 6.172 1.00 0.00 C ATOM 1156 CG1 VAL A 74 6.248 -3.827 7.243 1.00 0.00 C ATOM 1157 CG2 VAL A 74 6.809 -2.940 4.999 1.00 0.00 C ATOM 0 H VAL A 74 4.607 -1.232 4.700 1.00 0.00 H new ATOM 0 HA VAL A 74 4.360 -3.983 5.138 1.00 0.00 H new ATOM 0 HB VAL A 74 5.910 -1.819 6.596 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.277 -3.643 7.552 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.587 -3.722 8.103 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.164 -4.837 6.843 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.830 -2.781 5.345 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.725 -3.934 4.560 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.559 -2.190 4.249 1.00 0.00 H new ATOM 1167 N ASN A 75 3.165 -2.002 7.500 1.00 0.00 N ATOM 1168 CA ASN A 75 2.307 -1.911 8.689 1.00 0.00 C ATOM 1169 C ASN A 75 0.917 -2.509 8.414 1.00 0.00 C ATOM 1170 O ASN A 75 0.360 -3.189 9.271 1.00 0.00 O ATOM 1171 CB ASN A 75 2.169 -0.436 9.127 1.00 0.00 C ATOM 1172 CG ASN A 75 1.571 -0.199 10.538 1.00 0.00 C ATOM 1173 OD1 ASN A 75 1.886 0.810 11.177 1.00 0.00 O ATOM 1174 ND2 ASN A 75 0.742 -1.085 11.035 1.00 0.00 N ATOM 0 H ASN A 75 3.527 -1.101 7.188 1.00 0.00 H new ATOM 0 HA ASN A 75 2.772 -2.484 9.491 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.155 0.027 9.089 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.546 0.082 8.398 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.345 -0.947 11.965 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.494 -1.912 10.492 1.00 0.00 H new ATOM 1181 N ILE A 76 0.362 -2.270 7.235 1.00 0.00 N ATOM 1182 CA ILE A 76 -0.963 -2.816 6.927 1.00 0.00 C ATOM 1183 C ILE A 76 -0.882 -4.347 6.802 1.00 0.00 C ATOM 1184 O ILE A 76 -1.750 -5.069 7.301 1.00 0.00 O ATOM 1185 CB ILE A 76 -1.597 -2.230 5.633 1.00 0.00 C ATOM 1186 CG1 ILE A 76 -1.542 -0.689 5.620 1.00 0.00 C ATOM 1187 CG2 ILE A 76 -3.054 -2.691 5.527 1.00 0.00 C ATOM 1188 CD1 ILE A 76 -2.340 -0.003 6.715 1.00 0.00 C ATOM 0 H ILE A 76 0.789 -1.718 6.491 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.610 -2.526 7.755 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.023 -2.594 4.781 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.501 -0.378 5.703 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.904 -0.337 4.654 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.500 -2.281 4.621 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.089 -3.780 5.489 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.611 -2.340 6.396 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.236 1.078 6.618 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.391 -0.276 6.624 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.966 -0.318 7.689 1.00 0.00 H new ATOM 1200 N LEU A 77 0.177 -4.834 6.166 1.00 0.00 N ATOM 1201 CA LEU A 77 0.388 -6.272 6.040 1.00 0.00 C ATOM 1202 C LEU A 77 0.683 -6.906 7.393 1.00 0.00 C ATOM 1203 O LEU A 77 0.245 -8.027 7.665 1.00 0.00 O ATOM 1204 CB LEU A 77 1.476 -6.619 5.027 1.00 0.00 C ATOM 1205 CG LEU A 77 1.098 -6.512 3.548 1.00 0.00 C ATOM 1206 CD1 LEU A 77 1.992 -5.529 2.822 1.00 0.00 C ATOM 1207 CD2 LEU A 77 1.220 -7.867 2.898 1.00 0.00 C ATOM 0 H LEU A 77 0.899 -4.259 5.732 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.544 -6.690 5.659 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.330 -5.966 5.208 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.808 -7.639 5.220 1.00 0.00 H new ATOM 0 HG LEU A 77 0.070 -6.155 3.485 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.698 -5.476 1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.894 -4.543 3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.028 -5.859 2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.951 -7.791 1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.247 -8.221 2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.550 -8.570 3.394 1.00 0.00 H new ATOM 1219 N GLU A 78 1.406 -6.179 8.236 1.00 0.00 N ATOM 1220 CA GLU A 78 1.687 -6.597 9.610 1.00 0.00 C ATOM 1221 C GLU A 78 0.388 -6.752 10.368 1.00 0.00 C ATOM 1222 O GLU A 78 0.167 -7.749 11.043 1.00 0.00 O ATOM 1223 CB GLU A 78 2.574 -5.563 10.329 1.00 0.00 C ATOM 1224 CG GLU A 78 3.977 -5.420 9.767 1.00 0.00 C ATOM 1225 CD GLU A 78 4.833 -6.645 9.951 1.00 0.00 C ATOM 1226 OE1 GLU A 78 4.583 -7.677 9.299 1.00 0.00 O ATOM 1227 OE2 GLU A 78 5.821 -6.573 10.718 1.00 0.00 O ATOM 0 H GLU A 78 1.817 -5.279 7.988 1.00 0.00 H new ATOM 0 HA GLU A 78 2.217 -7.549 9.577 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.081 -4.592 10.287 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.647 -5.838 11.381 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.911 -5.191 8.703 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.466 -4.571 10.246 1.00 0.00 H new ATOM 1234 N GLU A 79 -0.498 -5.792 10.174 1.00 0.00 N ATOM 1235 CA GLU A 79 -1.788 -5.747 10.841 1.00 0.00 C ATOM 1236 C GLU A 79 -2.692 -6.912 10.359 1.00 0.00 C ATOM 1237 O GLU A 79 -3.705 -7.236 10.992 1.00 0.00 O ATOM 1238 CB GLU A 79 -2.453 -4.386 10.551 1.00 0.00 C ATOM 1239 CG GLU A 79 -3.514 -3.965 11.544 1.00 0.00 C ATOM 1240 CD GLU A 79 -2.957 -3.767 12.928 1.00 0.00 C ATOM 1241 OE1 GLU A 79 -2.230 -2.778 13.153 1.00 0.00 O ATOM 1242 OE2 GLU A 79 -3.261 -4.573 13.824 1.00 0.00 O ATOM 0 H GLU A 79 -0.340 -5.010 9.539 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.647 -5.860 11.916 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.679 -3.619 10.524 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.901 -4.422 9.558 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.977 -3.038 11.206 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.299 -4.721 11.576 1.00 0.00 H new ATOM 1249 N MET A 80 -2.315 -7.534 9.240 1.00 0.00 N ATOM 1250 CA MET A 80 -3.048 -8.669 8.704 1.00 0.00 C ATOM 1251 C MET A 80 -2.268 -9.964 8.904 1.00 0.00 C ATOM 1252 O MET A 80 -2.700 -11.027 8.463 1.00 0.00 O ATOM 1253 CB MET A 80 -3.367 -8.471 7.213 1.00 0.00 C ATOM 1254 CG MET A 80 -4.350 -7.354 6.937 1.00 0.00 C ATOM 1255 SD MET A 80 -4.793 -7.182 5.189 1.00 0.00 S ATOM 1256 CE MET A 80 -3.233 -6.658 4.493 1.00 0.00 C ATOM 0 H MET A 80 -1.500 -7.264 8.689 1.00 0.00 H new ATOM 0 HA MET A 80 -3.988 -8.739 9.251 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.440 -8.266 6.678 1.00 0.00 H new ATOM 0 HB3 MET A 80 -3.768 -9.402 6.811 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.257 -7.530 7.516 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.925 -6.414 7.288 1.00 0.00 H new ATOM 0 HE1 MET A 80 -3.143 -7.037 3.475 1.00 0.00 H new ATOM 0 HE2 MET A 80 -3.188 -5.569 4.481 1.00 0.00 H new ATOM 0 HE3 MET A 80 -2.415 -7.048 5.099 1.00 0.00 H new ATOM 1266 N ASN A 81 -1.110 -9.856 9.564 1.00 0.00 N ATOM 1267 CA ASN A 81 -0.208 -11.001 9.847 1.00 0.00 C ATOM 1268 C ASN A 81 0.215 -11.690 8.524 1.00 0.00 C ATOM 1269 O ASN A 81 0.500 -12.895 8.463 1.00 0.00 O ATOM 1270 CB ASN A 81 -0.894 -12.003 10.813 1.00 0.00 C ATOM 1271 CG ASN A 81 0.044 -13.090 11.336 1.00 0.00 C ATOM 1272 OD1 ASN A 81 1.247 -12.881 11.495 1.00 0.00 O ATOM 1273 ND2 ASN A 81 -0.489 -14.244 11.611 1.00 0.00 N ATOM 0 H ASN A 81 -0.760 -8.968 9.924 1.00 0.00 H new ATOM 0 HA ASN A 81 0.693 -10.631 10.336 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.307 -11.454 11.659 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.732 -12.474 10.299 1.00 0.00 H new ATOM 0 HD21 ASN A 81 0.092 -15.002 11.968 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.489 -14.391 11.470 1.00 0.00 H new ATOM 1280 N LEU A 82 0.315 -10.897 7.476 1.00 0.00 N ATOM 1281 CA LEU A 82 0.638 -11.401 6.150 1.00 0.00 C ATOM 1282 C LEU A 82 2.127 -11.542 5.939 1.00 0.00 C ATOM 1283 O LEU A 82 2.676 -11.045 4.951 1.00 0.00 O ATOM 1284 CB LEU A 82 0.012 -10.533 5.065 1.00 0.00 C ATOM 1285 CG LEU A 82 -1.495 -10.636 4.905 1.00 0.00 C ATOM 1286 CD1 LEU A 82 -1.950 -9.883 3.671 1.00 0.00 C ATOM 1287 CD2 LEU A 82 -1.909 -12.082 4.817 1.00 0.00 C ATOM 0 H LEU A 82 0.176 -9.887 7.516 1.00 0.00 H new ATOM 0 HA LEU A 82 0.209 -12.400 6.077 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.264 -9.493 5.272 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.475 -10.790 4.112 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.969 -10.187 5.778 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.032 -9.967 3.572 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.675 -8.832 3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.471 -10.307 2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.991 -12.144 4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.426 -12.547 3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.610 -12.602 5.727 1.00 0.00 H new ATOM 1299 N THR A 83 2.726 -12.317 6.812 1.00 0.00 N ATOM 1300 CA THR A 83 4.167 -12.536 6.889 1.00 0.00 C ATOM 1301 C THR A 83 4.814 -12.819 5.547 1.00 0.00 C ATOM 1302 O THR A 83 5.669 -12.067 5.123 1.00 0.00 O ATOM 1303 CB THR A 83 4.499 -13.676 7.858 1.00 0.00 C ATOM 1304 OG1 THR A 83 3.590 -14.773 7.642 1.00 0.00 O ATOM 1305 CG2 THR A 83 4.451 -13.216 9.299 1.00 0.00 C ATOM 0 H THR A 83 2.209 -12.837 7.521 1.00 0.00 H new ATOM 0 HA THR A 83 4.581 -11.597 7.257 1.00 0.00 H new ATOM 0 HB THR A 83 5.518 -14.008 7.661 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.804 -15.502 8.261 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.692 -14.052 9.956 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.175 -12.416 9.450 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.451 -12.849 9.531 1.00 0.00 H new ATOM 1313 N GLU A 84 4.353 -13.867 4.881 1.00 0.00 N ATOM 1314 CA GLU A 84 4.911 -14.347 3.607 1.00 0.00 C ATOM 1315 C GLU A 84 5.312 -13.231 2.628 1.00 0.00 C ATOM 1316 O GLU A 84 6.476 -13.140 2.225 1.00 0.00 O ATOM 1317 CB GLU A 84 3.951 -15.331 2.934 1.00 0.00 C ATOM 1318 CG GLU A 84 2.503 -14.860 2.864 1.00 0.00 C ATOM 1319 CD GLU A 84 1.641 -15.748 2.015 1.00 0.00 C ATOM 1320 OE1 GLU A 84 1.049 -16.715 2.543 1.00 0.00 O ATOM 1321 OE2 GLU A 84 1.521 -15.484 0.801 1.00 0.00 O ATOM 0 H GLU A 84 3.565 -14.425 5.210 1.00 0.00 H new ATOM 0 HA GLU A 84 5.839 -14.856 3.869 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.304 -15.528 1.922 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.985 -16.278 3.473 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.091 -14.818 3.872 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.475 -13.846 2.465 1.00 0.00 H new ATOM 1328 N LEU A 85 4.379 -12.383 2.287 1.00 0.00 N ATOM 1329 CA LEU A 85 4.652 -11.316 1.357 1.00 0.00 C ATOM 1330 C LEU A 85 5.072 -10.025 2.061 1.00 0.00 C ATOM 1331 O LEU A 85 5.781 -9.222 1.485 1.00 0.00 O ATOM 1332 CB LEU A 85 3.506 -11.079 0.332 1.00 0.00 C ATOM 1333 CG LEU A 85 2.137 -10.565 0.833 1.00 0.00 C ATOM 1334 CD1 LEU A 85 1.276 -10.186 -0.349 1.00 0.00 C ATOM 1335 CD2 LEU A 85 1.398 -11.602 1.667 1.00 0.00 C ATOM 0 H LEU A 85 3.422 -12.409 2.639 1.00 0.00 H new ATOM 0 HA LEU A 85 5.507 -11.652 0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.871 -10.368 -0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.332 -12.021 -0.188 1.00 0.00 H new ATOM 0 HG LEU A 85 2.330 -9.699 1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.311 -9.824 0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.770 -9.401 -0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.125 -11.059 -0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.443 -11.192 1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.223 -12.494 1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.999 -11.863 2.538 1.00 0.00 H new ATOM 1347 N CYS A 86 4.682 -9.848 3.317 1.00 0.00 N ATOM 1348 CA CYS A 86 5.084 -8.658 4.079 1.00 0.00 C ATOM 1349 C CYS A 86 6.592 -8.675 4.287 1.00 0.00 C ATOM 1350 O CYS A 86 7.255 -7.651 4.235 1.00 0.00 O ATOM 1351 CB CYS A 86 4.397 -8.628 5.426 1.00 0.00 C ATOM 1352 SG CYS A 86 4.733 -7.162 6.421 1.00 0.00 S ATOM 0 H CYS A 86 4.093 -10.503 3.832 1.00 0.00 H new ATOM 0 HA CYS A 86 4.793 -7.771 3.516 1.00 0.00 H new ATOM 0 HB2 CYS A 86 3.321 -8.704 5.270 1.00 0.00 H new ATOM 0 HB3 CYS A 86 4.700 -9.509 5.991 1.00 0.00 H new ATOM 0 HG CYS A 86 5.024 -7.520 7.636 1.00 0.00 H new ATOM 1358 N LYS A 87 7.125 -9.862 4.478 1.00 0.00 N ATOM 1359 CA LYS A 87 8.548 -10.073 4.618 1.00 0.00 C ATOM 1360 C LYS A 87 9.266 -9.752 3.324 1.00 0.00 C ATOM 1361 O LYS A 87 10.440 -9.407 3.326 1.00 0.00 O ATOM 1362 CB LYS A 87 8.816 -11.498 5.069 1.00 0.00 C ATOM 1363 CG LYS A 87 8.419 -11.752 6.523 1.00 0.00 C ATOM 1364 CD LYS A 87 8.342 -13.239 6.850 1.00 0.00 C ATOM 1365 CE LYS A 87 9.593 -13.968 6.430 1.00 0.00 C ATOM 1366 NZ LYS A 87 9.593 -15.375 6.861 1.00 0.00 N ATOM 0 H LYS A 87 6.575 -10.718 4.541 1.00 0.00 H new ATOM 0 HA LYS A 87 8.937 -9.397 5.380 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.269 -12.186 4.424 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.876 -11.719 4.944 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.142 -11.274 7.184 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.452 -11.288 6.720 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.188 -13.368 7.921 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.479 -13.678 6.348 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.690 -13.923 5.345 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.463 -13.462 6.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.473 -15.834 6.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.528 -15.420 7.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.779 -15.867 6.441 1.00 0.00 H new ATOM 1380 N MET A 88 8.545 -9.825 2.225 1.00 0.00 N ATOM 1381 CA MET A 88 9.101 -9.465 0.951 1.00 0.00 C ATOM 1382 C MET A 88 9.024 -7.975 0.809 1.00 0.00 C ATOM 1383 O MET A 88 9.932 -7.362 0.335 1.00 0.00 O ATOM 1384 CB MET A 88 8.409 -10.175 -0.206 1.00 0.00 C ATOM 1385 CG MET A 88 8.594 -11.680 -0.190 1.00 0.00 C ATOM 1386 SD MET A 88 10.331 -12.172 -0.228 1.00 0.00 S ATOM 1387 CE MET A 88 10.172 -13.959 -0.246 1.00 0.00 C ATOM 0 H MET A 88 7.573 -10.131 2.195 1.00 0.00 H new ATOM 0 HA MET A 88 10.141 -9.788 0.912 1.00 0.00 H new ATOM 0 HB2 MET A 88 7.343 -9.948 -0.176 1.00 0.00 H new ATOM 0 HB3 MET A 88 8.793 -9.780 -1.146 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.125 -12.090 0.704 1.00 0.00 H new ATOM 0 HG3 MET A 88 8.079 -12.114 -1.047 1.00 0.00 H new ATOM 0 HE1 MET A 88 11.163 -14.412 -0.270 1.00 0.00 H new ATOM 0 HE2 MET A 88 9.645 -14.286 0.650 1.00 0.00 H new ATOM 0 HE3 MET A 88 9.612 -14.266 -1.129 1.00 0.00 H new ATOM 1397 N ALA A 89 7.940 -7.391 1.303 1.00 0.00 N ATOM 1398 CA ALA A 89 7.787 -5.940 1.341 1.00 0.00 C ATOM 1399 C ALA A 89 8.928 -5.329 2.148 1.00 0.00 C ATOM 1400 O ALA A 89 9.531 -4.355 1.744 1.00 0.00 O ATOM 1401 CB ALA A 89 6.452 -5.557 1.956 1.00 0.00 C ATOM 0 H ALA A 89 7.146 -7.904 1.686 1.00 0.00 H new ATOM 0 HA ALA A 89 7.816 -5.556 0.321 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.358 -4.471 1.975 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.643 -5.981 1.362 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.396 -5.944 2.974 1.00 0.00 H new ATOM 1407 N LYS A 90 9.254 -5.970 3.253 1.00 0.00 N ATOM 1408 CA LYS A 90 10.360 -5.573 4.133 1.00 0.00 C ATOM 1409 C LYS A 90 11.727 -5.775 3.464 1.00 0.00 C ATOM 1410 O LYS A 90 12.754 -5.375 4.004 1.00 0.00 O ATOM 1411 CB LYS A 90 10.323 -6.405 5.409 1.00 0.00 C ATOM 1412 CG LYS A 90 9.132 -6.164 6.305 1.00 0.00 C ATOM 1413 CD LYS A 90 9.064 -7.229 7.385 1.00 0.00 C ATOM 1414 CE LYS A 90 7.914 -6.997 8.333 1.00 0.00 C ATOM 1415 NZ LYS A 90 8.205 -5.962 9.357 1.00 0.00 N ATOM 0 H LYS A 90 8.755 -6.798 3.579 1.00 0.00 H new ATOM 0 HA LYS A 90 10.234 -4.513 4.354 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.343 -7.460 5.135 1.00 0.00 H new ATOM 0 HB3 LYS A 90 11.231 -6.206 5.979 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.205 -5.177 6.762 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.216 -6.175 5.715 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.960 -8.210 6.921 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.999 -7.239 7.945 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.035 -6.698 7.762 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.667 -7.934 8.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.446 -5.953 10.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.111 -6.177 9.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.263 -5.029 8.901 1.00 0.00 H new ATOM 1429 N ALA A 91 11.734 -6.416 2.320 1.00 0.00 N ATOM 1430 CA ALA A 91 12.955 -6.688 1.608 1.00 0.00 C ATOM 1431 C ALA A 91 12.964 -5.990 0.237 1.00 0.00 C ATOM 1432 O ALA A 91 13.981 -5.951 -0.452 1.00 0.00 O ATOM 1433 CB ALA A 91 13.115 -8.203 1.458 1.00 0.00 C ATOM 0 H ALA A 91 10.893 -6.763 1.858 1.00 0.00 H new ATOM 0 HA ALA A 91 13.798 -6.291 2.173 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.038 -8.420 0.920 1.00 0.00 H new ATOM 0 HB2 ALA A 91 13.154 -8.664 2.445 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.268 -8.605 0.903 1.00 0.00 H new ATOM 1439 N GLU A 92 11.834 -5.421 -0.130 1.00 0.00 N ATOM 1440 CA GLU A 92 11.661 -4.806 -1.440 1.00 0.00 C ATOM 1441 C GLU A 92 11.254 -3.348 -1.331 1.00 0.00 C ATOM 1442 O GLU A 92 11.828 -2.485 -1.978 1.00 0.00 O ATOM 1443 CB GLU A 92 10.616 -5.558 -2.220 1.00 0.00 C ATOM 1444 CG GLU A 92 10.992 -6.966 -2.598 1.00 0.00 C ATOM 1445 CD GLU A 92 10.012 -7.579 -3.531 1.00 0.00 C ATOM 1446 OE1 GLU A 92 8.942 -8.037 -3.081 1.00 0.00 O ATOM 1447 OE2 GLU A 92 10.313 -7.636 -4.726 1.00 0.00 O ATOM 0 H GLU A 92 11.008 -5.369 0.467 1.00 0.00 H new ATOM 0 HA GLU A 92 12.621 -4.851 -1.955 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.698 -5.589 -1.633 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.393 -5.001 -3.130 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.979 -6.965 -3.060 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.063 -7.575 -1.697 1.00 0.00 H new ATOM 1454 N MET A 93 10.240 -3.087 -0.527 1.00 0.00 N ATOM 1455 CA MET A 93 9.790 -1.723 -0.255 1.00 0.00 C ATOM 1456 C MET A 93 10.660 -1.115 0.818 1.00 0.00 C ATOM 1457 O MET A 93 10.541 0.055 1.154 1.00 0.00 O ATOM 1458 CB MET A 93 8.288 -1.671 0.125 1.00 0.00 C ATOM 1459 CG MET A 93 7.359 -1.623 -1.053 1.00 0.00 C ATOM 1460 SD MET A 93 7.472 -0.094 -1.992 1.00 0.00 S ATOM 1461 CE MET A 93 7.069 1.121 -0.733 1.00 0.00 C ATOM 0 H MET A 93 9.703 -3.807 -0.043 1.00 0.00 H new ATOM 0 HA MET A 93 9.890 -1.135 -1.167 1.00 0.00 H new ATOM 0 HB2 MET A 93 8.047 -2.546 0.729 1.00 0.00 H new ATOM 0 HB3 MET A 93 8.112 -0.795 0.749 1.00 0.00 H new ATOM 0 HG2 MET A 93 7.578 -2.463 -1.713 1.00 0.00 H new ATOM 0 HG3 MET A 93 6.335 -1.751 -0.703 1.00 0.00 H new ATOM 0 HE1 MET A 93 6.587 1.981 -1.198 1.00 0.00 H new ATOM 0 HE2 MET A 93 6.393 0.677 -0.002 1.00 0.00 H new ATOM 0 HE3 MET A 93 7.982 1.444 -0.233 1.00 0.00 H new