USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1017 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 155 ASN : amide:sc= -0.0755 K(o=-0.53,f=-1.8) USER MOD Set 1.2: A 157 ASN : amide:sc= -0.456 K(o=-0.53,f=-2.9!) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.799 X(o=-0.8,f=-0.63) USER MOD Single : A 144 LYS NZ :NH3+ -168:sc= 0.985 (180deg=0.689) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 158 MET CE :methyl -158:sc= -0.178 (180deg=-0.726) USER MOD Single : A 159 THR OG1 : rot -168:sc= 1.23 USER MOD Single : A 160 THR OG1 : rot 180:sc= -0.325 USER MOD Single : A 163 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 164 MET CE :methyl -164:sc= -0.0873 (180deg=-0.493) USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 167 SER OG : rot 80:sc= 1.03 USER MOD Single : A 171 LYS NZ :NH3+ 166:sc= 0.627 (180deg=-0.0935) USER MOD Single : A 172 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0606) USER MOD Single : A 174 LYS NZ :NH3+ 173:sc= -0.0314 (180deg=-0.0963) USER MOD Single : A 177 GLN : amide:sc= -3.12! C(o=-3.1!,f=-2.7!) USER MOD Single : A 179 LYS NZ :NH3+ 164:sc=-0.00222 (180deg=-0.179) USER MOD Single : A 182 GLN : amide:sc= -3.48! C(o=-3.5!,f=-3!) USER MOD Single : A 183 LYS NZ :NH3+ -171:sc=-0.00503 (180deg=-0.0804) USER MOD Single : A 185 GLN : amide:sc= -2.65! C(o=-2.7!,f=-4.4!) USER MOD Single : A 188 THR OG1 : rot 42:sc= -0.232 USER MOD Single : A 191 HIS : no HD1:sc= 0.9 K(o=0.9,f=-6.9!) USER MOD Single : A 197 SER OG : rot 91:sc= 1.29 USER MOD Single : A 202 CYS SG : rot 60:sc= -0.63 USER MOD Single : A 204 GLN : amide:sc= -1.49 K(o=-1.5,f=-6.8!) USER MOD Single : A 206 SER OG : rot -118:sc= -1.14 USER MOD Single : A 209 THR OG1 : rot 73:sc= 0.711 USER MOD Single : A 215 THR OG1 : rot 180:sc= 0 USER MOD Single : A 216 ASN : amide:sc= -0.313 K(o=-0.31,f=-2.9!) USER MOD Single : A 219 CYS SG : rot 178:sc= 0.47 USER MOD Single : A 220 LYS NZ :NH3+ -171:sc= 0.069 (180deg=0.0568) USER MOD Single : B 633 THR OG1 : rot 84:sc= 0.666 USER MOD Single : B 640 SER OG : rot 180:sc= 0 USER MOD Single : B 644 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 646 GLN :FLIP amide:sc=-0.00565 F(o=-0.91,f=-0.0056) USER MOD Single : B 647 TYR OH : rot 165:sc= 0 USER MOD Single : B 656 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : B 657 LYS NZ :NH3+ -160:sc= 0.307 (180deg=0.171) USER MOD Single : B 660 ASN : amide:sc= 1.17 K(o=1.2,f=-0.29) USER MOD Single : B 663 ASN : amide:sc= -0.177 K(o=-0.18,f=-2.3!) USER MOD Single : B 665 GLN :FLIP amide:sc= -0.988 F(o=-2.9!,f=-0.99) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 141 -13.955 -0.513 3.679 1.00 0.92 N ATOM 45 CA LEU A 141 -13.566 -0.609 2.280 1.00 0.75 C ATOM 46 C LEU A 141 -14.766 -0.377 1.377 1.00 0.70 C ATOM 47 O LEU A 141 -14.733 0.481 0.512 1.00 0.64 O ATOM 48 CB LEU A 141 -12.942 -1.969 1.964 1.00 0.82 C ATOM 49 CG LEU A 141 -11.660 -2.298 2.726 1.00 0.94 C ATOM 50 CD1 LEU A 141 -11.064 -3.599 2.212 1.00 1.05 C ATOM 51 CD2 LEU A 141 -10.654 -1.161 2.601 1.00 0.88 C ATOM 0 HA LEU A 141 -12.819 0.163 2.095 1.00 0.75 H new ATOM 0 HB2 LEU A 141 -13.678 -2.745 2.175 1.00 0.82 H new ATOM 0 HB3 LEU A 141 -12.730 -2.012 0.896 1.00 0.82 H new ATOM 0 HG LEU A 141 -11.904 -2.420 3.781 1.00 0.94 H new ATOM 0 HD11 LEU A 141 -10.150 -3.823 2.763 1.00 1.05 H new ATOM 0 HD12 LEU A 141 -11.781 -4.408 2.353 1.00 1.05 H new ATOM 0 HD13 LEU A 141 -10.833 -3.499 1.151 1.00 1.05 H new ATOM 0 HD21 LEU A 141 -9.748 -1.415 3.151 1.00 0.88 H new ATOM 0 HD22 LEU A 141 -10.409 -1.005 1.550 1.00 0.88 H new ATOM 0 HD23 LEU A 141 -11.084 -0.248 3.012 1.00 0.88 H new ATOM 63 N SER A 142 -15.842 -1.112 1.615 1.00 0.90 N ATOM 64 CA SER A 142 -17.015 -1.065 0.743 1.00 0.97 C ATOM 65 C SER A 142 -17.611 0.347 0.639 1.00 0.95 C ATOM 66 O SER A 142 -18.388 0.633 -0.271 1.00 1.05 O ATOM 67 CB SER A 142 -18.058 -2.058 1.247 1.00 1.21 C ATOM 68 OG SER A 142 -17.485 -3.350 1.375 1.00 1.82 O ATOM 0 H SER A 142 -15.931 -1.751 2.405 1.00 0.90 H new ATOM 0 HA SER A 142 -16.699 -1.342 -0.263 1.00 0.97 H new ATOM 0 HB2 SER A 142 -18.448 -1.729 2.210 1.00 1.21 H new ATOM 0 HB3 SER A 142 -18.901 -2.093 0.556 1.00 1.21 H new ATOM 0 HG SER A 142 -18.163 -3.978 1.701 1.00 1.82 H new ATOM 74 N GLN A 143 -17.247 1.221 1.570 1.00 0.98 N ATOM 75 CA GLN A 143 -17.688 2.606 1.522 1.00 1.10 C ATOM 76 C GLN A 143 -16.641 3.468 0.816 1.00 0.95 C ATOM 77 O GLN A 143 -16.899 4.033 -0.246 1.00 1.02 O ATOM 78 CB GLN A 143 -17.927 3.124 2.950 1.00 1.41 C ATOM 79 CG GLN A 143 -18.820 4.358 3.054 1.00 1.32 C ATOM 80 CD GLN A 143 -18.184 5.634 2.522 1.00 1.79 C ATOM 81 OE1 GLN A 143 -17.497 6.350 3.252 1.00 2.41 O ATOM 82 NE2 GLN A 143 -18.431 5.944 1.259 1.00 2.29 N ATOM 0 H GLN A 143 -16.649 0.994 2.365 1.00 0.98 H new ATOM 0 HA GLN A 143 -18.621 2.664 0.962 1.00 1.10 H new ATOM 0 HB2 GLN A 143 -18.372 2.323 3.540 1.00 1.41 H new ATOM 0 HB3 GLN A 143 -16.962 3.355 3.402 1.00 1.41 H new ATOM 0 HG2 GLN A 143 -19.744 4.171 2.508 1.00 1.32 H new ATOM 0 HG3 GLN A 143 -19.092 4.509 4.099 1.00 1.32 H new ATOM 0 HE21 GLN A 143 -19.005 5.326 0.685 1.00 2.29 H new ATOM 0 HE22 GLN A 143 -18.048 6.801 0.860 1.00 2.29 H new ATOM 91 N LYS A 144 -15.452 3.530 1.399 1.00 0.84 N ATOM 92 CA LYS A 144 -14.427 4.480 0.970 1.00 0.83 C ATOM 93 C LYS A 144 -13.546 3.918 -0.141 1.00 0.74 C ATOM 94 O LYS A 144 -13.115 4.650 -1.032 1.00 0.88 O ATOM 95 CB LYS A 144 -13.558 4.858 2.171 1.00 1.00 C ATOM 96 CG LYS A 144 -14.349 5.451 3.327 1.00 1.12 C ATOM 97 CD LYS A 144 -13.573 5.387 4.633 1.00 1.33 C ATOM 98 CE LYS A 144 -12.265 6.158 4.554 1.00 1.39 C ATOM 99 NZ LYS A 144 -12.471 7.629 4.486 1.00 1.56 N ATOM 0 H LYS A 144 -15.169 2.931 2.175 1.00 0.84 H new ATOM 0 HA LYS A 144 -14.934 5.359 0.571 1.00 0.83 H new ATOM 0 HB2 LYS A 144 -13.028 3.972 2.520 1.00 1.00 H new ATOM 0 HB3 LYS A 144 -12.802 5.576 1.852 1.00 1.00 H new ATOM 0 HG2 LYS A 144 -14.598 6.488 3.103 1.00 1.12 H new ATOM 0 HG3 LYS A 144 -15.291 4.913 3.437 1.00 1.12 H new ATOM 0 HD2 LYS A 144 -14.185 5.792 5.439 1.00 1.33 H new ATOM 0 HD3 LYS A 144 -13.366 4.346 4.882 1.00 1.33 H new ATOM 0 HE2 LYS A 144 -11.654 5.920 5.425 1.00 1.39 H new ATOM 0 HE3 LYS A 144 -11.708 5.832 3.676 1.00 1.39 H new ATOM 0 HZ1 LYS A 144 -11.576 8.093 4.231 1.00 1.56 H new ATOM 0 HZ2 LYS A 144 -13.191 7.846 3.767 1.00 1.56 H new ATOM 0 HZ3 LYS A 144 -12.790 7.978 5.412 1.00 1.56 H new ATOM 113 N PHE A 145 -13.286 2.624 -0.088 1.00 0.66 N ATOM 114 CA PHE A 145 -12.366 1.983 -1.022 1.00 0.65 C ATOM 115 C PHE A 145 -13.017 0.759 -1.683 1.00 0.80 C ATOM 116 O PHE A 145 -12.521 -0.358 -1.553 1.00 1.08 O ATOM 117 CB PHE A 145 -11.104 1.538 -0.281 1.00 0.54 C ATOM 118 CG PHE A 145 -10.391 2.630 0.462 1.00 0.45 C ATOM 119 CD1 PHE A 145 -9.675 3.604 -0.215 1.00 0.41 C ATOM 120 CD2 PHE A 145 -10.422 2.666 1.844 1.00 0.72 C ATOM 121 CE1 PHE A 145 -9.002 4.595 0.478 1.00 0.50 C ATOM 122 CE2 PHE A 145 -9.750 3.648 2.539 1.00 0.70 C ATOM 123 CZ PHE A 145 -9.038 4.615 1.859 1.00 0.51 C ATOM 0 H PHE A 145 -13.700 1.990 0.595 1.00 0.66 H new ATOM 0 HA PHE A 145 -12.110 2.706 -1.796 1.00 0.65 H new ATOM 0 HB2 PHE A 145 -11.373 0.753 0.426 1.00 0.54 H new ATOM 0 HB3 PHE A 145 -10.414 1.097 -1.000 1.00 0.54 H new ATOM 0 HD1 PHE A 145 -9.642 3.590 -1.294 1.00 0.41 H new ATOM 0 HD2 PHE A 145 -10.979 1.916 2.385 1.00 0.72 H new ATOM 0 HE1 PHE A 145 -8.450 5.351 -0.060 1.00 0.50 H new ATOM 0 HE2 PHE A 145 -9.781 3.661 3.618 1.00 0.70 H new ATOM 0 HZ PHE A 145 -8.511 5.384 2.404 1.00 0.51 H new ATOM 133 N PRO A 146 -14.128 0.947 -2.414 1.00 0.95 N ATOM 134 CA PRO A 146 -14.927 -0.168 -2.924 1.00 1.20 C ATOM 135 C PRO A 146 -14.409 -0.726 -4.243 1.00 1.16 C ATOM 136 O PRO A 146 -14.997 -1.644 -4.813 1.00 1.34 O ATOM 137 CB PRO A 146 -16.290 0.478 -3.129 1.00 1.61 C ATOM 138 CG PRO A 146 -15.975 1.879 -3.528 1.00 1.75 C ATOM 139 CD PRO A 146 -14.694 2.250 -2.820 1.00 1.23 C ATOM 0 HA PRO A 146 -14.917 -1.021 -2.245 1.00 1.20 H new ATOM 0 HB2 PRO A 146 -16.862 -0.037 -3.901 1.00 1.61 H new ATOM 0 HB3 PRO A 146 -16.886 0.448 -2.217 1.00 1.61 H new ATOM 0 HG2 PRO A 146 -15.857 1.957 -4.609 1.00 1.75 H new ATOM 0 HG3 PRO A 146 -16.783 2.554 -3.246 1.00 1.75 H new ATOM 0 HD2 PRO A 146 -14.016 2.794 -3.478 1.00 1.23 H new ATOM 0 HD3 PRO A 146 -14.884 2.890 -1.958 1.00 1.23 H new ATOM 147 N GLU A 147 -13.316 -0.162 -4.726 1.00 1.10 N ATOM 148 CA GLU A 147 -12.746 -0.577 -5.996 1.00 1.30 C ATOM 149 C GLU A 147 -11.318 -1.075 -5.824 1.00 1.02 C ATOM 150 O GLU A 147 -10.508 -0.994 -6.749 1.00 1.03 O ATOM 151 CB GLU A 147 -12.778 0.577 -6.997 1.00 1.64 C ATOM 152 CG GLU A 147 -12.129 1.858 -6.493 1.00 1.61 C ATOM 153 CD GLU A 147 -12.009 2.897 -7.587 1.00 1.74 C ATOM 154 OE1 GLU A 147 -11.122 2.758 -8.452 1.00 2.18 O ATOM 155 OE2 GLU A 147 -12.802 3.863 -7.573 1.00 1.73 O ATOM 0 H GLU A 147 -12.805 0.586 -4.257 1.00 1.10 H new ATOM 0 HA GLU A 147 -13.351 -1.399 -6.379 1.00 1.30 H new ATOM 0 HB2 GLU A 147 -12.275 0.264 -7.912 1.00 1.64 H new ATOM 0 HB3 GLU A 147 -13.815 0.787 -7.259 1.00 1.64 H new ATOM 0 HG2 GLU A 147 -12.717 2.264 -5.670 1.00 1.61 H new ATOM 0 HG3 GLU A 147 -11.139 1.632 -6.096 1.00 1.61 H new ATOM 162 N LEU A 148 -11.015 -1.586 -4.639 1.00 0.87 N ATOM 163 CA LEU A 148 -9.685 -2.102 -4.353 1.00 0.76 C ATOM 164 C LEU A 148 -9.391 -3.359 -5.153 1.00 0.97 C ATOM 165 O LEU A 148 -10.091 -4.366 -5.037 1.00 1.22 O ATOM 166 CB LEU A 148 -9.519 -2.413 -2.868 1.00 0.71 C ATOM 167 CG LEU A 148 -9.557 -1.211 -1.934 1.00 0.56 C ATOM 168 CD1 LEU A 148 -9.279 -1.655 -0.514 1.00 0.62 C ATOM 169 CD2 LEU A 148 -8.544 -0.168 -2.370 1.00 0.54 C ATOM 0 H LEU A 148 -11.672 -1.654 -3.861 1.00 0.87 H new ATOM 0 HA LEU A 148 -8.980 -1.322 -4.641 1.00 0.76 H new ATOM 0 HB2 LEU A 148 -10.306 -3.106 -2.571 1.00 0.71 H new ATOM 0 HB3 LEU A 148 -8.569 -2.929 -2.728 1.00 0.71 H new ATOM 0 HG LEU A 148 -10.550 -0.763 -1.977 1.00 0.56 H new ATOM 0 HD11 LEU A 148 -9.307 -0.791 0.150 1.00 0.62 H new ATOM 0 HD12 LEU A 148 -10.035 -2.376 -0.204 1.00 0.62 H new ATOM 0 HD13 LEU A 148 -8.294 -2.118 -0.464 1.00 0.62 H new ATOM 0 HD21 LEU A 148 -8.584 0.684 -1.692 1.00 0.54 H new ATOM 0 HD22 LEU A 148 -7.544 -0.601 -2.349 1.00 0.54 H new ATOM 0 HD23 LEU A 148 -8.775 0.163 -3.383 1.00 0.54 H new ATOM 181 N PRO A 149 -8.352 -3.309 -5.985 1.00 0.92 N ATOM 182 CA PRO A 149 -7.866 -4.489 -6.686 1.00 1.11 C ATOM 183 C PRO A 149 -7.311 -5.512 -5.698 1.00 1.19 C ATOM 184 O PRO A 149 -6.813 -5.155 -4.622 1.00 1.14 O ATOM 185 CB PRO A 149 -6.768 -3.947 -7.601 1.00 1.17 C ATOM 186 CG PRO A 149 -6.359 -2.650 -6.992 1.00 0.92 C ATOM 187 CD PRO A 149 -7.580 -2.100 -6.318 1.00 0.74 C ATOM 0 HA PRO A 149 -8.649 -5.007 -7.241 1.00 1.11 H new ATOM 0 HB2 PRO A 149 -5.927 -4.638 -7.659 1.00 1.17 H new ATOM 0 HB3 PRO A 149 -7.136 -3.807 -8.617 1.00 1.17 H new ATOM 0 HG2 PRO A 149 -5.551 -2.794 -6.275 1.00 0.92 H new ATOM 0 HG3 PRO A 149 -5.991 -1.962 -7.753 1.00 0.92 H new ATOM 0 HD2 PRO A 149 -7.325 -1.527 -5.427 1.00 0.74 H new ATOM 0 HD3 PRO A 149 -8.138 -1.434 -6.976 1.00 0.74 H new ATOM 195 N SER A 150 -7.395 -6.778 -6.056 1.00 1.35 N ATOM 196 CA SER A 150 -7.029 -7.843 -5.141 1.00 1.45 C ATOM 197 C SER A 150 -5.670 -8.418 -5.483 1.00 1.42 C ATOM 198 O SER A 150 -5.139 -9.249 -4.742 1.00 1.56 O ATOM 199 CB SER A 150 -8.081 -8.945 -5.161 1.00 1.60 C ATOM 200 OG SER A 150 -9.355 -8.442 -4.789 1.00 2.32 O ATOM 0 H SER A 150 -7.713 -7.095 -6.972 1.00 1.35 H new ATOM 0 HA SER A 150 -6.977 -7.418 -4.139 1.00 1.45 H new ATOM 0 HB2 SER A 150 -8.136 -9.381 -6.158 1.00 1.60 H new ATOM 0 HB3 SER A 150 -7.789 -9.744 -4.479 1.00 1.60 H new ATOM 0 HG SER A 150 -10.013 -9.168 -4.811 1.00 2.32 H new ATOM 206 N GLY A 151 -5.102 -7.971 -6.592 1.00 1.29 N ATOM 207 CA GLY A 151 -3.809 -8.465 -6.992 1.00 1.28 C ATOM 208 C GLY A 151 -3.869 -9.403 -8.182 1.00 1.24 C ATOM 209 O GLY A 151 -4.949 -9.791 -8.631 1.00 1.36 O ATOM 0 H GLY A 151 -5.514 -7.278 -7.217 1.00 1.29 H new ATOM 0 HA2 GLY A 151 -3.164 -7.621 -7.236 1.00 1.28 H new ATOM 0 HA3 GLY A 151 -3.350 -8.985 -6.151 1.00 1.28 H new ATOM 213 N ILE A 152 -2.700 -9.760 -8.681 1.00 1.15 N ATOM 214 CA ILE A 152 -2.565 -10.690 -9.795 1.00 1.16 C ATOM 215 C ILE A 152 -2.548 -12.125 -9.293 1.00 1.24 C ATOM 216 O ILE A 152 -2.110 -12.392 -8.168 1.00 1.30 O ATOM 217 CB ILE A 152 -1.245 -10.455 -10.564 1.00 1.08 C ATOM 218 CG1 ILE A 152 -0.065 -10.599 -9.595 1.00 1.05 C ATOM 219 CG2 ILE A 152 -1.249 -9.091 -11.240 1.00 1.06 C ATOM 220 CD1 ILE A 152 1.303 -10.484 -10.223 1.00 1.00 C ATOM 0 H ILE A 152 -1.810 -9.412 -8.325 1.00 1.15 H new ATOM 0 HA ILE A 152 -3.417 -10.520 -10.453 1.00 1.16 H new ATOM 0 HB ILE A 152 -1.145 -11.202 -11.351 1.00 1.08 H new ATOM 0 HG12 ILE A 152 -0.157 -9.837 -8.821 1.00 1.05 H new ATOM 0 HG13 ILE A 152 -0.139 -11.567 -9.100 1.00 1.05 H new ATOM 0 HG21 ILE A 152 -0.310 -8.947 -11.775 1.00 1.06 H new ATOM 0 HG22 ILE A 152 -2.080 -9.036 -11.943 1.00 1.06 H new ATOM 0 HG23 ILE A 152 -1.360 -8.312 -10.486 1.00 1.06 H new ATOM 0 HD11 ILE A 152 2.067 -10.600 -9.454 1.00 1.00 H new ATOM 0 HD12 ILE A 152 1.424 -11.263 -10.976 1.00 1.00 H new ATOM 0 HD13 ILE A 152 1.407 -9.506 -10.693 1.00 1.00 H new ATOM 232 N ASP A 153 -3.017 -13.051 -10.115 1.00 1.33 N ATOM 233 CA ASP A 153 -2.853 -14.459 -9.809 1.00 1.40 C ATOM 234 C ASP A 153 -1.426 -14.850 -10.170 1.00 1.38 C ATOM 235 O ASP A 153 -0.887 -14.394 -11.178 1.00 1.40 O ATOM 236 CB ASP A 153 -3.888 -15.332 -10.543 1.00 1.56 C ATOM 237 CG ASP A 153 -3.444 -15.813 -11.914 1.00 2.38 C ATOM 238 OD1 ASP A 153 -3.606 -15.047 -12.887 1.00 2.83 O ATOM 239 OD2 ASP A 153 -2.903 -16.931 -12.018 1.00 3.20 O ATOM 0 H ASP A 153 -3.508 -12.855 -10.987 1.00 1.33 H new ATOM 0 HA ASP A 153 -3.028 -14.628 -8.746 1.00 1.40 H new ATOM 0 HB2 ASP A 153 -4.118 -16.199 -9.924 1.00 1.56 H new ATOM 0 HB3 ASP A 153 -4.812 -14.764 -10.652 1.00 1.56 H new ATOM 244 N VAL A 154 -0.801 -15.654 -9.333 1.00 1.41 N ATOM 245 CA VAL A 154 0.624 -15.911 -9.461 1.00 1.39 C ATOM 246 C VAL A 154 0.875 -17.395 -9.633 1.00 1.51 C ATOM 247 O VAL A 154 0.188 -18.221 -9.029 1.00 1.60 O ATOM 248 CB VAL A 154 1.396 -15.396 -8.222 1.00 1.31 C ATOM 249 CG1 VAL A 154 2.900 -15.448 -8.451 1.00 1.31 C ATOM 250 CG2 VAL A 154 0.962 -13.982 -7.869 1.00 1.18 C ATOM 0 H VAL A 154 -1.253 -16.140 -8.559 1.00 1.41 H new ATOM 0 HA VAL A 154 0.983 -15.377 -10.341 1.00 1.39 H new ATOM 0 HB VAL A 154 1.158 -16.052 -7.385 1.00 1.31 H new ATOM 0 HG11 VAL A 154 3.416 -15.080 -7.564 1.00 1.31 H new ATOM 0 HG12 VAL A 154 3.203 -16.477 -8.647 1.00 1.31 H new ATOM 0 HG13 VAL A 154 3.160 -14.824 -9.306 1.00 1.31 H new ATOM 0 HG21 VAL A 154 1.516 -13.639 -6.996 1.00 1.18 H new ATOM 0 HG22 VAL A 154 1.163 -13.319 -8.710 1.00 1.18 H new ATOM 0 HG23 VAL A 154 -0.105 -13.974 -7.648 1.00 1.18 H new ATOM 260 N ASN A 155 1.851 -17.735 -10.455 1.00 1.59 N ATOM 261 CA ASN A 155 2.183 -19.123 -10.689 1.00 1.69 C ATOM 262 C ASN A 155 3.270 -19.554 -9.705 1.00 1.65 C ATOM 263 O ASN A 155 4.460 -19.581 -10.012 1.00 1.66 O ATOM 264 CB ASN A 155 2.573 -19.335 -12.162 1.00 1.79 C ATOM 265 CG ASN A 155 3.825 -18.587 -12.598 1.00 2.07 C ATOM 266 OD1 ASN A 155 3.791 -17.378 -12.830 1.00 2.69 O ATOM 267 ND2 ASN A 155 4.924 -19.309 -12.757 1.00 2.17 N ATOM 0 H ASN A 155 2.425 -17.068 -10.970 1.00 1.59 H new ATOM 0 HA ASN A 155 1.316 -19.759 -10.510 1.00 1.69 H new ATOM 0 HB2 ASN A 155 2.723 -20.401 -12.335 1.00 1.79 H new ATOM 0 HB3 ASN A 155 1.741 -19.024 -12.793 1.00 1.79 H new ATOM 0 HD21 ASN A 155 5.783 -18.865 -13.082 1.00 2.17 H new ATOM 0 HD22 ASN A 155 4.911 -20.309 -12.554 1.00 2.17 H new ATOM 274 N ILE A 156 2.832 -19.884 -8.496 1.00 1.64 N ATOM 275 CA ILE A 156 3.738 -20.214 -7.400 1.00 1.62 C ATOM 276 C ILE A 156 4.280 -21.636 -7.522 1.00 1.69 C ATOM 277 O ILE A 156 4.635 -22.271 -6.532 1.00 1.73 O ATOM 278 CB ILE A 156 3.053 -20.016 -6.028 1.00 1.63 C ATOM 279 CG1 ILE A 156 1.687 -20.712 -6.004 1.00 1.74 C ATOM 280 CG2 ILE A 156 2.907 -18.527 -5.721 1.00 1.51 C ATOM 281 CD1 ILE A 156 0.918 -20.520 -4.712 1.00 1.80 C ATOM 0 H ILE A 156 1.844 -19.931 -8.247 1.00 1.64 H new ATOM 0 HA ILE A 156 4.581 -19.527 -7.467 1.00 1.62 H new ATOM 0 HB ILE A 156 3.678 -20.468 -5.257 1.00 1.63 H new ATOM 0 HG12 ILE A 156 1.085 -20.337 -6.832 1.00 1.74 H new ATOM 0 HG13 ILE A 156 1.832 -21.779 -6.173 1.00 1.74 H new ATOM 0 HG21 ILE A 156 2.423 -18.401 -4.752 1.00 1.51 H new ATOM 0 HG22 ILE A 156 3.893 -18.062 -5.698 1.00 1.51 H new ATOM 0 HG23 ILE A 156 2.301 -18.054 -6.494 1.00 1.51 H new ATOM 0 HD11 ILE A 156 -0.036 -21.043 -4.775 1.00 1.80 H new ATOM 0 HD12 ILE A 156 1.497 -20.922 -3.881 1.00 1.80 H new ATOM 0 HD13 ILE A 156 0.739 -19.457 -4.549 1.00 1.80 H new ATOM 293 N ASN A 157 4.343 -22.120 -8.755 1.00 1.73 N ATOM 294 CA ASN A 157 4.956 -23.403 -9.065 1.00 1.77 C ATOM 295 C ASN A 157 6.468 -23.232 -9.132 1.00 1.79 C ATOM 296 O ASN A 157 7.222 -24.205 -9.172 1.00 1.77 O ATOM 297 CB ASN A 157 4.432 -23.928 -10.406 1.00 1.92 C ATOM 298 CG ASN A 157 4.849 -23.057 -11.581 1.00 2.12 C ATOM 299 OD1 ASN A 157 4.195 -22.065 -11.899 1.00 2.43 O ATOM 300 ND2 ASN A 157 5.944 -23.418 -12.233 1.00 2.67 N ATOM 0 H ASN A 157 3.970 -21.633 -9.569 1.00 1.73 H new ATOM 0 HA ASN A 157 4.703 -24.122 -8.286 1.00 1.77 H new ATOM 0 HB2 ASN A 157 4.799 -24.942 -10.563 1.00 1.92 H new ATOM 0 HB3 ASN A 157 3.344 -23.985 -10.369 1.00 1.92 H new ATOM 0 HD21 ASN A 157 6.270 -22.867 -13.027 1.00 2.67 H new ATOM 0 HD22 ASN A 157 6.461 -24.247 -11.941 1.00 2.67 H new ATOM 307 N MET A 158 6.887 -21.974 -9.155 1.00 1.90 N ATOM 308 CA MET A 158 8.297 -21.625 -9.243 1.00 2.03 C ATOM 309 C MET A 158 8.586 -20.329 -8.493 1.00 2.06 C ATOM 310 O MET A 158 9.322 -20.329 -7.510 1.00 2.54 O ATOM 311 CB MET A 158 8.733 -21.517 -10.712 1.00 2.22 C ATOM 312 CG MET A 158 7.840 -20.621 -11.562 1.00 2.49 C ATOM 313 SD MET A 158 8.380 -20.507 -13.276 1.00 2.73 S ATOM 314 CE MET A 158 10.035 -19.853 -13.072 1.00 3.33 C ATOM 0 H MET A 158 6.261 -21.170 -9.113 1.00 1.90 H new ATOM 0 HA MET A 158 8.876 -22.419 -8.771 1.00 2.03 H new ATOM 0 HB2 MET A 158 9.753 -21.136 -10.750 1.00 2.22 H new ATOM 0 HB3 MET A 158 8.749 -22.515 -11.149 1.00 2.22 H new ATOM 0 HG2 MET A 158 6.820 -21.003 -11.533 1.00 2.49 H new ATOM 0 HG3 MET A 158 7.818 -19.622 -11.127 1.00 2.49 H new ATOM 0 HE1 MET A 158 10.351 -19.368 -13.996 1.00 3.33 H new ATOM 0 HE2 MET A 158 10.041 -19.126 -12.260 1.00 3.33 H new ATOM 0 HE3 MET A 158 10.721 -20.666 -12.836 1.00 3.33 H new ATOM 324 N THR A 159 8.007 -19.231 -8.959 1.00 1.70 N ATOM 325 CA THR A 159 8.197 -17.936 -8.328 1.00 1.67 C ATOM 326 C THR A 159 7.339 -17.814 -7.073 1.00 1.55 C ATOM 327 O THR A 159 6.293 -18.454 -6.958 1.00 1.48 O ATOM 328 CB THR A 159 7.865 -16.795 -9.315 1.00 1.68 C ATOM 329 OG1 THR A 159 8.048 -15.518 -8.686 1.00 1.80 O ATOM 330 CG2 THR A 159 6.439 -16.918 -9.833 1.00 1.69 C ATOM 0 H THR A 159 7.398 -19.214 -9.777 1.00 1.70 H new ATOM 0 HA THR A 159 9.245 -17.852 -8.039 1.00 1.67 H new ATOM 0 HB THR A 159 8.547 -16.876 -10.161 1.00 1.68 H new ATOM 0 HG1 THR A 159 7.660 -14.817 -9.250 1.00 1.80 H new ATOM 0 HG21 THR A 159 6.232 -16.102 -10.526 1.00 1.69 H new ATOM 0 HG22 THR A 159 6.320 -17.871 -10.349 1.00 1.69 H new ATOM 0 HG23 THR A 159 5.742 -16.869 -8.996 1.00 1.69 H new ATOM 338 N THR A 160 7.794 -16.998 -6.137 1.00 1.57 N ATOM 339 CA THR A 160 7.080 -16.793 -4.893 1.00 1.48 C ATOM 340 C THR A 160 6.430 -15.412 -4.869 1.00 1.30 C ATOM 341 O THR A 160 6.848 -14.520 -5.613 1.00 1.25 O ATOM 342 CB THR A 160 8.023 -16.947 -3.681 1.00 1.57 C ATOM 343 OG1 THR A 160 9.171 -16.102 -3.841 1.00 1.57 O ATOM 344 CG2 THR A 160 8.470 -18.391 -3.521 1.00 1.87 C ATOM 0 H THR A 160 8.660 -16.465 -6.218 1.00 1.57 H new ATOM 0 HA THR A 160 6.302 -17.554 -4.827 1.00 1.48 H new ATOM 0 HB THR A 160 7.476 -16.652 -2.786 1.00 1.57 H new ATOM 0 HG1 THR A 160 9.763 -16.205 -3.067 1.00 1.57 H new ATOM 0 HG21 THR A 160 9.134 -18.473 -2.660 1.00 1.87 H new ATOM 0 HG22 THR A 160 7.598 -19.027 -3.369 1.00 1.87 H new ATOM 0 HG23 THR A 160 8.999 -18.710 -4.419 1.00 1.87 H new ATOM 352 N PRO A 161 5.401 -15.205 -4.031 1.00 1.25 N ATOM 353 CA PRO A 161 4.699 -13.920 -3.958 1.00 1.10 C ATOM 354 C PRO A 161 5.659 -12.758 -3.708 1.00 1.04 C ATOM 355 O PRO A 161 5.618 -11.744 -4.409 1.00 0.96 O ATOM 356 CB PRO A 161 3.743 -14.096 -2.776 1.00 1.13 C ATOM 357 CG PRO A 161 3.538 -15.566 -2.673 1.00 1.37 C ATOM 358 CD PRO A 161 4.836 -16.195 -3.097 1.00 1.35 C ATOM 0 HA PRO A 161 4.191 -13.677 -4.891 1.00 1.10 H new ATOM 0 HB2 PRO A 161 4.169 -13.690 -1.858 1.00 1.13 H new ATOM 0 HB3 PRO A 161 2.801 -13.576 -2.948 1.00 1.13 H new ATOM 0 HG2 PRO A 161 3.279 -15.854 -1.654 1.00 1.37 H new ATOM 0 HG3 PRO A 161 2.719 -15.892 -3.314 1.00 1.37 H new ATOM 0 HD2 PRO A 161 5.496 -16.369 -2.247 1.00 1.35 H new ATOM 0 HD3 PRO A 161 4.677 -17.159 -3.580 1.00 1.35 H new ATOM 366 N ALA A 162 6.547 -12.934 -2.734 1.00 1.12 N ATOM 367 CA ALA A 162 7.520 -11.906 -2.370 1.00 1.15 C ATOM 368 C ALA A 162 8.492 -11.623 -3.515 1.00 1.12 C ATOM 369 O ALA A 162 8.906 -10.483 -3.731 1.00 1.08 O ATOM 370 CB ALA A 162 8.290 -12.336 -1.135 1.00 1.37 C ATOM 0 H ALA A 162 6.614 -13.786 -2.178 1.00 1.12 H new ATOM 0 HA ALA A 162 6.973 -10.987 -2.159 1.00 1.15 H new ATOM 0 HB1 ALA A 162 9.013 -11.565 -0.870 1.00 1.37 H new ATOM 0 HB2 ALA A 162 7.597 -12.483 -0.307 1.00 1.37 H new ATOM 0 HB3 ALA A 162 8.814 -13.270 -1.340 1.00 1.37 H new ATOM 376 N MET A 163 8.827 -12.663 -4.260 1.00 1.16 N ATOM 377 CA MET A 163 9.767 -12.546 -5.359 1.00 1.24 C ATOM 378 C MET A 163 9.157 -11.676 -6.449 1.00 1.08 C ATOM 379 O MET A 163 9.806 -10.781 -7.004 1.00 1.04 O ATOM 380 CB MET A 163 10.102 -13.936 -5.904 1.00 1.46 C ATOM 381 CG MET A 163 11.121 -13.927 -7.029 1.00 2.02 C ATOM 382 SD MET A 163 11.464 -15.578 -7.674 1.00 2.40 S ATOM 383 CE MET A 163 12.632 -15.189 -8.976 1.00 2.50 C ATOM 0 H MET A 163 8.458 -13.604 -4.121 1.00 1.16 H new ATOM 0 HA MET A 163 10.689 -12.082 -5.009 1.00 1.24 H new ATOM 0 HB2 MET A 163 10.480 -14.553 -5.089 1.00 1.46 H new ATOM 0 HB3 MET A 163 9.186 -14.406 -6.261 1.00 1.46 H new ATOM 0 HG2 MET A 163 10.757 -13.294 -7.838 1.00 2.02 H new ATOM 0 HG3 MET A 163 12.049 -13.482 -6.669 1.00 2.02 H new ATOM 0 HE1 MET A 163 12.942 -16.108 -9.473 1.00 2.50 H new ATOM 0 HE2 MET A 163 12.161 -14.525 -9.701 1.00 2.50 H new ATOM 0 HE3 MET A 163 13.505 -14.697 -8.547 1.00 2.50 H new ATOM 393 N MET A 164 7.886 -11.929 -6.732 1.00 1.04 N ATOM 394 CA MET A 164 7.156 -11.129 -7.694 1.00 0.97 C ATOM 395 C MET A 164 7.056 -9.693 -7.205 1.00 0.83 C ATOM 396 O MET A 164 7.409 -8.778 -7.929 1.00 0.85 O ATOM 397 CB MET A 164 5.762 -11.703 -7.952 1.00 1.04 C ATOM 398 CG MET A 164 5.779 -13.073 -8.615 1.00 1.06 C ATOM 399 SD MET A 164 6.641 -13.083 -10.205 1.00 1.71 S ATOM 400 CE MET A 164 5.669 -11.895 -11.132 1.00 1.81 C ATOM 0 H MET A 164 7.344 -12.682 -6.308 1.00 1.04 H new ATOM 0 HA MET A 164 7.702 -11.149 -8.637 1.00 0.97 H new ATOM 0 HB2 MET A 164 5.227 -11.774 -7.005 1.00 1.04 H new ATOM 0 HB3 MET A 164 5.204 -11.011 -8.583 1.00 1.04 H new ATOM 0 HG2 MET A 164 6.257 -13.788 -7.945 1.00 1.06 H new ATOM 0 HG3 MET A 164 4.753 -13.411 -8.763 1.00 1.06 H new ATOM 0 HE1 MET A 164 5.887 -11.997 -12.195 1.00 1.81 H new ATOM 0 HE2 MET A 164 4.609 -12.079 -10.960 1.00 1.81 H new ATOM 0 HE3 MET A 164 5.919 -10.886 -10.805 1.00 1.81 H new ATOM 410 N ILE A 165 6.632 -9.506 -5.954 1.00 0.75 N ATOM 411 CA ILE A 165 6.474 -8.164 -5.387 1.00 0.65 C ATOM 412 C ILE A 165 7.747 -7.334 -5.531 1.00 0.62 C ATOM 413 O ILE A 165 7.685 -6.130 -5.805 1.00 0.56 O ATOM 414 CB ILE A 165 6.074 -8.205 -3.894 1.00 0.69 C ATOM 415 CG1 ILE A 165 4.633 -8.694 -3.735 1.00 0.74 C ATOM 416 CG2 ILE A 165 6.248 -6.833 -3.246 1.00 0.68 C ATOM 417 CD1 ILE A 165 4.146 -8.647 -2.306 1.00 0.90 C ATOM 0 H ILE A 165 6.392 -10.264 -5.315 1.00 0.75 H new ATOM 0 HA ILE A 165 5.671 -7.696 -5.956 1.00 0.65 H new ATOM 0 HB ILE A 165 6.735 -8.908 -3.386 1.00 0.69 H new ATOM 0 HG12 ILE A 165 3.978 -8.083 -4.356 1.00 0.74 H new ATOM 0 HG13 ILE A 165 4.560 -9.717 -4.104 1.00 0.74 H new ATOM 0 HG21 ILE A 165 5.960 -6.887 -2.196 1.00 0.68 H new ATOM 0 HG22 ILE A 165 7.291 -6.525 -3.321 1.00 0.68 H new ATOM 0 HG23 ILE A 165 5.617 -6.106 -3.758 1.00 0.68 H new ATOM 0 HD11 ILE A 165 3.118 -9.006 -2.260 1.00 0.90 H new ATOM 0 HD12 ILE A 165 4.780 -9.280 -1.685 1.00 0.90 H new ATOM 0 HD13 ILE A 165 4.188 -7.621 -1.941 1.00 0.90 H new ATOM 429 N SER A 166 8.901 -7.979 -5.442 1.00 0.71 N ATOM 430 CA SER A 166 10.149 -7.249 -5.433 1.00 0.73 C ATOM 431 C SER A 166 10.471 -6.857 -6.870 1.00 0.65 C ATOM 432 O SER A 166 10.977 -5.767 -7.147 1.00 0.65 O ATOM 433 CB SER A 166 11.266 -8.120 -4.845 1.00 0.87 C ATOM 434 OG SER A 166 12.468 -7.390 -4.695 1.00 1.94 O ATOM 0 H SER A 166 8.994 -8.993 -5.376 1.00 0.71 H new ATOM 0 HA SER A 166 10.065 -6.356 -4.814 1.00 0.73 H new ATOM 0 HB2 SER A 166 10.953 -8.510 -3.877 1.00 0.87 H new ATOM 0 HB3 SER A 166 11.439 -8.979 -5.494 1.00 0.87 H new ATOM 0 HG SER A 166 13.159 -7.972 -4.317 1.00 1.94 H new ATOM 440 N SER A 167 10.065 -7.722 -7.793 1.00 0.70 N ATOM 441 CA SER A 167 10.336 -7.547 -9.205 1.00 0.63 C ATOM 442 C SER A 167 9.271 -6.643 -9.822 1.00 0.50 C ATOM 443 O SER A 167 9.469 -6.062 -10.874 1.00 0.71 O ATOM 444 CB SER A 167 10.360 -8.910 -9.903 1.00 0.78 C ATOM 445 OG SER A 167 11.230 -9.810 -9.228 1.00 1.37 O ATOM 0 H SER A 167 9.536 -8.567 -7.576 1.00 0.70 H new ATOM 0 HA SER A 167 11.311 -7.077 -9.334 1.00 0.63 H new ATOM 0 HB2 SER A 167 9.353 -9.325 -9.933 1.00 0.78 H new ATOM 0 HB3 SER A 167 10.686 -8.788 -10.936 1.00 0.78 H new ATOM 0 HG SER A 167 10.776 -10.175 -8.440 1.00 1.37 H new ATOM 451 N GLU A 168 8.177 -6.465 -9.096 1.00 0.56 N ATOM 452 CA GLU A 168 7.008 -5.801 -9.657 1.00 0.44 C ATOM 453 C GLU A 168 7.126 -4.313 -9.432 1.00 0.34 C ATOM 454 O GLU A 168 6.850 -3.499 -10.317 1.00 0.48 O ATOM 455 CB GLU A 168 5.705 -6.315 -9.040 1.00 0.53 C ATOM 456 CG GLU A 168 5.238 -7.637 -9.634 1.00 0.95 C ATOM 457 CD GLU A 168 5.220 -7.608 -11.150 1.00 1.02 C ATOM 458 OE1 GLU A 168 4.460 -6.805 -11.727 1.00 1.21 O ATOM 459 OE2 GLU A 168 5.989 -8.368 -11.776 1.00 1.26 O ATOM 0 H GLU A 168 8.073 -6.767 -8.127 1.00 0.56 H new ATOM 0 HA GLU A 168 6.975 -6.022 -10.724 1.00 0.44 H new ATOM 0 HB2 GLU A 168 5.843 -6.436 -7.966 1.00 0.53 H new ATOM 0 HB3 GLU A 168 4.925 -5.566 -9.179 1.00 0.53 H new ATOM 0 HG2 GLU A 168 5.895 -8.438 -9.295 1.00 0.95 H new ATOM 0 HG3 GLU A 168 4.239 -7.867 -9.265 1.00 0.95 H new ATOM 466 N LEU A 169 7.564 -3.968 -8.240 1.00 0.36 N ATOM 467 CA LEU A 169 7.744 -2.585 -7.869 1.00 0.45 C ATOM 468 C LEU A 169 9.041 -2.063 -8.481 1.00 0.50 C ATOM 469 O LEU A 169 9.122 -0.914 -8.915 1.00 0.50 O ATOM 470 CB LEU A 169 7.786 -2.461 -6.340 1.00 0.54 C ATOM 471 CG LEU A 169 6.609 -3.103 -5.594 1.00 0.47 C ATOM 472 CD1 LEU A 169 6.690 -2.796 -4.115 1.00 0.66 C ATOM 473 CD2 LEU A 169 5.278 -2.639 -6.154 1.00 0.47 C ATOM 0 H LEU A 169 7.803 -4.635 -7.507 1.00 0.36 H new ATOM 0 HA LEU A 169 6.910 -1.992 -8.244 1.00 0.45 H new ATOM 0 HB2 LEU A 169 8.711 -2.913 -5.981 1.00 0.54 H new ATOM 0 HB3 LEU A 169 7.826 -1.403 -6.079 1.00 0.54 H new ATOM 0 HG LEU A 169 6.675 -4.182 -5.736 1.00 0.47 H new ATOM 0 HD11 LEU A 169 5.848 -3.259 -3.601 1.00 0.66 H new ATOM 0 HD12 LEU A 169 7.623 -3.191 -3.712 1.00 0.66 H new ATOM 0 HD13 LEU A 169 6.658 -1.717 -3.965 1.00 0.66 H new ATOM 0 HD21 LEU A 169 4.466 -3.113 -5.603 1.00 0.47 H new ATOM 0 HD22 LEU A 169 5.200 -1.556 -6.056 1.00 0.47 H new ATOM 0 HD23 LEU A 169 5.211 -2.914 -7.207 1.00 0.47 H new ATOM 485 N ALA A 170 10.051 -2.933 -8.519 1.00 0.55 N ATOM 486 CA ALA A 170 11.378 -2.546 -8.986 1.00 0.60 C ATOM 487 C ALA A 170 11.586 -2.665 -10.508 1.00 0.59 C ATOM 488 O ALA A 170 12.589 -2.165 -11.015 1.00 0.64 O ATOM 489 CB ALA A 170 12.440 -3.334 -8.236 1.00 0.62 C ATOM 0 H ALA A 170 9.973 -3.909 -8.232 1.00 0.55 H new ATOM 0 HA ALA A 170 11.472 -1.482 -8.770 1.00 0.60 H new ATOM 0 HB1 ALA A 170 13.428 -3.040 -8.589 1.00 0.62 H new ATOM 0 HB2 ALA A 170 12.360 -3.128 -7.169 1.00 0.62 H new ATOM 0 HB3 ALA A 170 12.294 -4.400 -8.411 1.00 0.62 H new ATOM 495 N LYS A 171 10.682 -3.310 -11.255 1.00 0.55 N ATOM 496 CA LYS A 171 10.888 -3.436 -12.703 1.00 0.59 C ATOM 497 C LYS A 171 10.421 -2.182 -13.438 1.00 0.64 C ATOM 498 O LYS A 171 10.774 -1.962 -14.599 1.00 0.78 O ATOM 499 CB LYS A 171 10.173 -4.660 -13.274 1.00 0.58 C ATOM 500 CG LYS A 171 8.657 -4.529 -13.344 1.00 0.63 C ATOM 501 CD LYS A 171 8.014 -5.841 -13.775 1.00 0.67 C ATOM 502 CE LYS A 171 6.510 -5.704 -13.912 1.00 0.96 C ATOM 503 NZ LYS A 171 5.848 -7.021 -14.110 1.00 0.93 N ATOM 0 H LYS A 171 9.829 -3.739 -10.897 1.00 0.55 H new ATOM 0 HA LYS A 171 11.960 -3.561 -12.857 1.00 0.59 H new ATOM 0 HB2 LYS A 171 10.555 -4.854 -14.276 1.00 0.58 H new ATOM 0 HB3 LYS A 171 10.422 -5.528 -12.664 1.00 0.58 H new ATOM 0 HG2 LYS A 171 8.269 -4.233 -12.369 1.00 0.63 H new ATOM 0 HG3 LYS A 171 8.389 -3.740 -14.047 1.00 0.63 H new ATOM 0 HD2 LYS A 171 8.439 -6.161 -14.726 1.00 0.67 H new ATOM 0 HD3 LYS A 171 8.245 -6.617 -13.046 1.00 0.67 H new ATOM 0 HE2 LYS A 171 6.106 -5.226 -13.020 1.00 0.96 H new ATOM 0 HE3 LYS A 171 6.280 -5.052 -14.755 1.00 0.96 H new ATOM 0 HZ1 LYS A 171 4.823 -6.920 -13.963 1.00 0.93 H new ATOM 0 HZ2 LYS A 171 6.028 -7.358 -15.077 1.00 0.93 H new ATOM 0 HZ3 LYS A 171 6.230 -7.707 -13.428 1.00 0.93 H new ATOM 517 N LYS A 172 9.620 -1.369 -12.764 1.00 0.60 N ATOM 518 CA LYS A 172 9.144 -0.127 -13.352 1.00 0.64 C ATOM 519 C LYS A 172 10.003 1.040 -12.876 1.00 0.54 C ATOM 520 O LYS A 172 10.442 1.069 -11.725 1.00 0.62 O ATOM 521 CB LYS A 172 7.651 0.096 -13.047 1.00 0.80 C ATOM 522 CG LYS A 172 7.233 -0.214 -11.617 1.00 0.78 C ATOM 523 CD LYS A 172 5.720 -0.124 -11.454 1.00 0.67 C ATOM 524 CE LYS A 172 4.999 -1.092 -12.388 1.00 0.91 C ATOM 525 NZ LYS A 172 3.515 -0.968 -12.308 1.00 1.40 N ATOM 0 H LYS A 172 9.288 -1.546 -11.816 1.00 0.60 H new ATOM 0 HA LYS A 172 9.238 -0.193 -14.436 1.00 0.64 H new ATOM 0 HB2 LYS A 172 7.402 1.135 -13.265 1.00 0.80 H new ATOM 0 HB3 LYS A 172 7.061 -0.522 -13.724 1.00 0.80 H new ATOM 0 HG2 LYS A 172 7.572 -1.213 -11.345 1.00 0.78 H new ATOM 0 HG3 LYS A 172 7.717 0.484 -10.934 1.00 0.78 H new ATOM 0 HD2 LYS A 172 5.450 -0.344 -10.421 1.00 0.67 H new ATOM 0 HD3 LYS A 172 5.391 0.895 -11.659 1.00 0.67 H new ATOM 0 HE2 LYS A 172 5.320 -0.909 -13.413 1.00 0.91 H new ATOM 0 HE3 LYS A 172 5.288 -2.113 -12.141 1.00 0.91 H new ATOM 0 HZ1 LYS A 172 3.073 -1.713 -12.883 1.00 1.40 H new ATOM 0 HZ2 LYS A 172 3.211 -1.068 -11.318 1.00 1.40 H new ATOM 0 HZ3 LYS A 172 3.225 -0.036 -12.667 1.00 1.40 H new ATOM 539 N PRO A 173 10.263 2.002 -13.784 1.00 0.47 N ATOM 540 CA PRO A 173 11.178 3.133 -13.545 1.00 0.42 C ATOM 541 C PRO A 173 10.912 3.860 -12.228 1.00 0.35 C ATOM 542 O PRO A 173 9.763 4.049 -11.827 1.00 0.35 O ATOM 543 CB PRO A 173 10.887 4.064 -14.721 1.00 0.43 C ATOM 544 CG PRO A 173 10.424 3.166 -15.811 1.00 0.62 C ATOM 545 CD PRO A 173 9.662 2.064 -15.133 1.00 0.53 C ATOM 0 HA PRO A 173 12.213 2.799 -13.472 1.00 0.42 H new ATOM 0 HB2 PRO A 173 10.125 4.800 -14.464 1.00 0.43 H new ATOM 0 HB3 PRO A 173 11.778 4.618 -15.017 1.00 0.43 H new ATOM 0 HG2 PRO A 173 9.791 3.702 -16.518 1.00 0.62 H new ATOM 0 HG3 PRO A 173 11.267 2.769 -16.376 1.00 0.62 H new ATOM 0 HD2 PRO A 173 8.595 2.284 -15.087 1.00 0.53 H new ATOM 0 HD3 PRO A 173 9.769 1.118 -15.663 1.00 0.53 H new ATOM 553 N LYS A 174 12.003 4.271 -11.570 1.00 0.34 N ATOM 554 CA LYS A 174 11.955 4.903 -10.252 1.00 0.36 C ATOM 555 C LYS A 174 11.028 6.120 -10.207 1.00 0.32 C ATOM 556 O LYS A 174 10.552 6.492 -9.133 1.00 0.34 O ATOM 557 CB LYS A 174 13.376 5.279 -9.796 1.00 0.43 C ATOM 558 CG LYS A 174 13.425 6.049 -8.480 1.00 0.59 C ATOM 559 CD LYS A 174 14.843 6.209 -7.945 1.00 0.82 C ATOM 560 CE LYS A 174 15.789 6.853 -8.954 1.00 1.58 C ATOM 561 NZ LYS A 174 15.240 8.102 -9.543 1.00 2.38 N ATOM 0 H LYS A 174 12.948 4.172 -11.942 1.00 0.34 H new ATOM 0 HA LYS A 174 11.534 4.173 -9.560 1.00 0.36 H new ATOM 0 HB2 LYS A 174 13.966 4.368 -9.694 1.00 0.43 H new ATOM 0 HB3 LYS A 174 13.849 5.879 -10.574 1.00 0.43 H new ATOM 0 HG2 LYS A 174 12.982 7.034 -8.624 1.00 0.59 H new ATOM 0 HG3 LYS A 174 12.817 5.531 -7.738 1.00 0.59 H new ATOM 0 HD2 LYS A 174 14.818 6.815 -7.040 1.00 0.82 H new ATOM 0 HD3 LYS A 174 15.232 5.231 -7.663 1.00 0.82 H new ATOM 0 HE2 LYS A 174 16.738 7.074 -8.466 1.00 1.58 H new ATOM 0 HE3 LYS A 174 15.999 6.142 -9.753 1.00 1.58 H new ATOM 0 HZ1 LYS A 174 15.968 8.559 -10.129 1.00 2.38 H new ATOM 0 HZ2 LYS A 174 14.414 7.874 -10.132 1.00 2.38 H new ATOM 0 HZ3 LYS A 174 14.953 8.749 -8.781 1.00 2.38 H new ATOM 575 N GLU A 175 10.771 6.753 -11.349 1.00 0.31 N ATOM 576 CA GLU A 175 9.803 7.845 -11.397 1.00 0.34 C ATOM 577 C GLU A 175 8.461 7.382 -10.836 1.00 0.29 C ATOM 578 O GLU A 175 7.786 8.131 -10.141 1.00 0.33 O ATOM 579 CB GLU A 175 9.619 8.361 -12.832 1.00 0.46 C ATOM 580 CG GLU A 175 8.787 9.637 -12.911 1.00 0.74 C ATOM 581 CD GLU A 175 8.512 10.097 -14.330 1.00 0.83 C ATOM 582 OE1 GLU A 175 9.439 10.067 -15.164 1.00 1.27 O ATOM 583 OE2 GLU A 175 7.364 10.495 -14.618 1.00 1.48 O ATOM 0 H GLU A 175 11.213 6.533 -12.242 1.00 0.31 H new ATOM 0 HA GLU A 175 10.187 8.663 -10.787 1.00 0.34 H new ATOM 0 HB2 GLU A 175 10.599 8.546 -13.273 1.00 0.46 H new ATOM 0 HB3 GLU A 175 9.141 7.586 -13.431 1.00 0.46 H new ATOM 0 HG2 GLU A 175 7.838 9.474 -12.401 1.00 0.74 H new ATOM 0 HG3 GLU A 175 9.305 10.432 -12.374 1.00 0.74 H new ATOM 590 N VAL A 176 8.091 6.141 -11.142 1.00 0.27 N ATOM 591 CA VAL A 176 6.865 5.541 -10.623 1.00 0.26 C ATOM 592 C VAL A 176 6.818 5.568 -9.101 1.00 0.25 C ATOM 593 O VAL A 176 5.880 6.110 -8.524 1.00 0.29 O ATOM 594 CB VAL A 176 6.697 4.090 -11.119 1.00 0.26 C ATOM 595 CG1 VAL A 176 5.714 3.320 -10.247 1.00 0.26 C ATOM 596 CG2 VAL A 176 6.237 4.091 -12.566 1.00 0.32 C ATOM 0 H VAL A 176 8.629 5.526 -11.753 1.00 0.27 H new ATOM 0 HA VAL A 176 6.040 6.144 -11.003 1.00 0.26 H new ATOM 0 HB VAL A 176 7.663 3.589 -11.051 1.00 0.26 H new ATOM 0 HG11 VAL A 176 5.616 2.301 -10.621 1.00 0.26 H new ATOM 0 HG12 VAL A 176 6.080 3.296 -9.220 1.00 0.26 H new ATOM 0 HG13 VAL A 176 4.741 3.811 -10.274 1.00 0.26 H new ATOM 0 HG21 VAL A 176 6.120 3.064 -12.911 1.00 0.32 H new ATOM 0 HG22 VAL A 176 5.282 4.611 -12.644 1.00 0.32 H new ATOM 0 HG23 VAL A 176 6.978 4.599 -13.183 1.00 0.32 H new ATOM 606 N GLN A 177 7.826 4.995 -8.452 1.00 0.23 N ATOM 607 CA GLN A 177 7.820 4.924 -6.996 1.00 0.28 C ATOM 608 C GLN A 177 7.831 6.324 -6.387 1.00 0.32 C ATOM 609 O GLN A 177 7.176 6.565 -5.388 1.00 0.37 O ATOM 610 CB GLN A 177 8.981 4.067 -6.456 1.00 0.30 C ATOM 611 CG GLN A 177 10.258 4.154 -7.274 1.00 0.45 C ATOM 612 CD GLN A 177 10.718 2.804 -7.804 1.00 0.87 C ATOM 613 OE1 GLN A 177 11.913 2.563 -7.955 1.00 1.79 O ATOM 614 NE2 GLN A 177 9.777 1.919 -8.105 1.00 0.96 N ATOM 0 H GLN A 177 8.643 4.580 -8.901 1.00 0.23 H new ATOM 0 HA GLN A 177 6.896 4.430 -6.695 1.00 0.28 H new ATOM 0 HB2 GLN A 177 9.198 4.374 -5.433 1.00 0.30 H new ATOM 0 HB3 GLN A 177 8.660 3.026 -6.415 1.00 0.30 H new ATOM 0 HG2 GLN A 177 10.100 4.833 -8.112 1.00 0.45 H new ATOM 0 HG3 GLN A 177 11.048 4.585 -6.659 1.00 0.45 H new ATOM 0 HE21 GLN A 177 8.794 2.153 -7.967 1.00 0.96 H new ATOM 0 HE22 GLN A 177 10.037 1.004 -8.475 1.00 0.96 H new ATOM 623 N LEU A 178 8.531 7.257 -7.020 1.00 0.35 N ATOM 624 CA LEU A 178 8.585 8.630 -6.528 1.00 0.39 C ATOM 625 C LEU A 178 7.244 9.334 -6.749 1.00 0.39 C ATOM 626 O LEU A 178 6.787 10.091 -5.898 1.00 0.46 O ATOM 627 CB LEU A 178 9.721 9.393 -7.216 1.00 0.44 C ATOM 628 CG LEU A 178 11.099 8.727 -7.112 1.00 0.54 C ATOM 629 CD1 LEU A 178 12.175 9.608 -7.728 1.00 0.58 C ATOM 630 CD2 LEU A 178 11.434 8.404 -5.664 1.00 0.55 C ATOM 0 H LEU A 178 9.067 7.090 -7.871 1.00 0.35 H new ATOM 0 HA LEU A 178 8.782 8.610 -5.456 1.00 0.39 H new ATOM 0 HB2 LEU A 178 9.471 9.516 -8.270 1.00 0.44 H new ATOM 0 HB3 LEU A 178 9.782 10.392 -6.784 1.00 0.44 H new ATOM 0 HG LEU A 178 11.065 7.792 -7.671 1.00 0.54 H new ATOM 0 HD11 LEU A 178 13.143 9.114 -7.642 1.00 0.58 H new ATOM 0 HD12 LEU A 178 11.947 9.779 -8.780 1.00 0.58 H new ATOM 0 HD13 LEU A 178 12.207 10.563 -7.204 1.00 0.58 H new ATOM 0 HD21 LEU A 178 12.415 7.932 -5.614 1.00 0.55 H new ATOM 0 HD22 LEU A 178 11.443 9.324 -5.079 1.00 0.55 H new ATOM 0 HD23 LEU A 178 10.684 7.724 -5.260 1.00 0.55 H new ATOM 642 N LYS A 179 6.623 9.066 -7.895 1.00 0.36 N ATOM 643 CA LYS A 179 5.292 9.581 -8.208 1.00 0.40 C ATOM 644 C LYS A 179 4.287 9.079 -7.186 1.00 0.31 C ATOM 645 O LYS A 179 3.579 9.864 -6.546 1.00 0.29 O ATOM 646 CB LYS A 179 4.862 9.129 -9.613 1.00 0.49 C ATOM 647 CG LYS A 179 4.830 10.244 -10.646 1.00 0.98 C ATOM 648 CD LYS A 179 6.110 11.069 -10.636 1.00 1.00 C ATOM 649 CE LYS A 179 6.224 11.935 -11.880 1.00 1.36 C ATOM 650 NZ LYS A 179 4.963 12.663 -12.179 1.00 1.52 N ATOM 0 H LYS A 179 7.027 8.487 -8.631 1.00 0.36 H new ATOM 0 HA LYS A 179 5.326 10.670 -8.178 1.00 0.40 H new ATOM 0 HB2 LYS A 179 5.544 8.351 -9.956 1.00 0.49 H new ATOM 0 HB3 LYS A 179 3.871 8.679 -9.550 1.00 0.49 H new ATOM 0 HG2 LYS A 179 4.683 9.815 -11.637 1.00 0.98 H new ATOM 0 HG3 LYS A 179 3.978 10.895 -10.450 1.00 0.98 H new ATOM 0 HD2 LYS A 179 6.130 11.701 -9.748 1.00 1.00 H new ATOM 0 HD3 LYS A 179 6.972 10.405 -10.574 1.00 1.00 H new ATOM 0 HE2 LYS A 179 7.033 12.654 -11.747 1.00 1.36 H new ATOM 0 HE3 LYS A 179 6.490 11.310 -12.732 1.00 1.36 H new ATOM 0 HZ1 LYS A 179 5.157 13.431 -12.853 1.00 1.52 H new ATOM 0 HZ2 LYS A 179 4.272 12.005 -12.593 1.00 1.52 H new ATOM 0 HZ3 LYS A 179 4.576 13.063 -11.300 1.00 1.52 H new ATOM 664 N PHE A 180 4.260 7.761 -7.039 1.00 0.29 N ATOM 665 CA PHE A 180 3.374 7.084 -6.114 1.00 0.23 C ATOM 666 C PHE A 180 3.615 7.573 -4.700 1.00 0.22 C ATOM 667 O PHE A 180 2.712 8.099 -4.070 1.00 0.23 O ATOM 668 CB PHE A 180 3.601 5.565 -6.211 1.00 0.19 C ATOM 669 CG PHE A 180 2.853 4.747 -5.196 1.00 0.17 C ATOM 670 CD1 PHE A 180 3.369 4.537 -3.928 1.00 0.15 C ATOM 671 CD2 PHE A 180 1.623 4.191 -5.510 1.00 0.26 C ATOM 672 CE1 PHE A 180 2.675 3.787 -3.001 1.00 0.17 C ATOM 673 CE2 PHE A 180 0.927 3.442 -4.587 1.00 0.29 C ATOM 674 CZ PHE A 180 1.487 3.230 -3.312 1.00 0.23 C ATOM 0 H PHE A 180 4.861 7.129 -7.567 1.00 0.29 H new ATOM 0 HA PHE A 180 2.339 7.306 -6.375 1.00 0.23 H new ATOM 0 HB2 PHE A 180 3.313 5.232 -7.208 1.00 0.19 H new ATOM 0 HB3 PHE A 180 4.667 5.364 -6.104 1.00 0.19 H new ATOM 0 HD1 PHE A 180 4.324 4.965 -3.662 1.00 0.15 H new ATOM 0 HD2 PHE A 180 1.204 4.347 -6.493 1.00 0.26 H new ATOM 0 HE1 PHE A 180 3.089 3.644 -2.014 1.00 0.17 H new ATOM 0 HE2 PHE A 180 -0.036 3.022 -4.838 1.00 0.29 H new ATOM 0 HZ PHE A 180 0.967 2.623 -2.586 1.00 0.23 H new ATOM 684 N LEU A 181 4.845 7.433 -4.230 1.00 0.25 N ATOM 685 CA LEU A 181 5.170 7.688 -2.833 1.00 0.27 C ATOM 686 C LEU A 181 4.972 9.142 -2.420 1.00 0.29 C ATOM 687 O LEU A 181 4.578 9.396 -1.285 1.00 0.29 O ATOM 688 CB LEU A 181 6.601 7.251 -2.522 1.00 0.31 C ATOM 689 CG LEU A 181 6.864 5.742 -2.600 1.00 0.31 C ATOM 690 CD1 LEU A 181 8.342 5.452 -2.408 1.00 0.37 C ATOM 691 CD2 LEU A 181 6.046 4.998 -1.554 1.00 0.29 C ATOM 0 H LEU A 181 5.640 7.142 -4.799 1.00 0.25 H new ATOM 0 HA LEU A 181 4.467 7.094 -2.249 1.00 0.27 H new ATOM 0 HB2 LEU A 181 7.275 7.756 -3.215 1.00 0.31 H new ATOM 0 HB3 LEU A 181 6.858 7.595 -1.520 1.00 0.31 H new ATOM 0 HG LEU A 181 6.562 5.395 -3.588 1.00 0.31 H new ATOM 0 HD11 LEU A 181 8.512 4.377 -2.466 1.00 0.37 H new ATOM 0 HD12 LEU A 181 8.915 5.953 -3.188 1.00 0.37 H new ATOM 0 HD13 LEU A 181 8.661 5.818 -1.432 1.00 0.37 H new ATOM 0 HD21 LEU A 181 6.248 3.929 -1.627 1.00 0.29 H new ATOM 0 HD22 LEU A 181 6.319 5.352 -0.560 1.00 0.29 H new ATOM 0 HD23 LEU A 181 4.985 5.179 -1.725 1.00 0.29 H new ATOM 703 N GLN A 182 5.230 10.102 -3.309 1.00 0.31 N ATOM 704 CA GLN A 182 5.103 11.515 -2.957 1.00 0.35 C ATOM 705 C GLN A 182 3.644 11.881 -2.818 1.00 0.29 C ATOM 706 O GLN A 182 3.204 12.406 -1.792 1.00 0.31 O ATOM 707 CB GLN A 182 5.737 12.396 -4.041 1.00 0.48 C ATOM 708 CG GLN A 182 7.237 12.588 -3.904 1.00 0.78 C ATOM 709 CD GLN A 182 7.595 13.421 -2.686 1.00 1.22 C ATOM 710 OE1 GLN A 182 6.806 14.253 -2.237 1.00 1.83 O ATOM 711 NE2 GLN A 182 8.793 13.232 -2.166 1.00 1.51 N ATOM 0 H GLN A 182 5.526 9.929 -4.270 1.00 0.31 H new ATOM 0 HA GLN A 182 5.618 11.681 -2.011 1.00 0.35 H new ATOM 0 HB2 GLN A 182 5.528 11.956 -5.016 1.00 0.48 H new ATOM 0 HB3 GLN A 182 5.256 13.374 -4.023 1.00 0.48 H new ATOM 0 HG2 GLN A 182 7.722 11.614 -3.833 1.00 0.78 H new ATOM 0 HG3 GLN A 182 7.624 13.072 -4.801 1.00 0.78 H new ATOM 0 HE21 GLN A 182 9.418 12.533 -2.566 1.00 1.51 H new ATOM 0 HE22 GLN A 182 9.094 13.785 -1.364 1.00 1.51 H new ATOM 720 N LYS A 183 2.907 11.603 -3.876 1.00 0.30 N ATOM 721 CA LYS A 183 1.473 11.820 -3.893 1.00 0.36 C ATOM 722 C LYS A 183 0.798 11.046 -2.758 1.00 0.25 C ATOM 723 O LYS A 183 -0.039 11.588 -2.032 1.00 0.27 O ATOM 724 CB LYS A 183 0.905 11.391 -5.247 1.00 0.57 C ATOM 725 CG LYS A 183 -0.604 11.317 -5.264 1.00 0.92 C ATOM 726 CD LYS A 183 -1.129 10.703 -6.553 1.00 1.07 C ATOM 727 CE LYS A 183 -0.790 11.528 -7.780 1.00 0.72 C ATOM 728 NZ LYS A 183 -1.426 12.869 -7.750 1.00 1.46 N ATOM 0 H LYS A 183 3.283 11.222 -4.744 1.00 0.30 H new ATOM 0 HA LYS A 183 1.273 12.881 -3.743 1.00 0.36 H new ATOM 0 HB2 LYS A 183 1.236 12.094 -6.012 1.00 0.57 H new ATOM 0 HB3 LYS A 183 1.313 10.416 -5.512 1.00 0.57 H new ATOM 0 HG2 LYS A 183 -0.948 10.727 -4.415 1.00 0.92 H new ATOM 0 HG3 LYS A 183 -1.018 12.318 -5.144 1.00 0.92 H new ATOM 0 HD2 LYS A 183 -0.714 9.702 -6.668 1.00 1.07 H new ATOM 0 HD3 LYS A 183 -2.211 10.593 -6.483 1.00 1.07 H new ATOM 0 HE2 LYS A 183 0.292 11.643 -7.851 1.00 0.72 H new ATOM 0 HE3 LYS A 183 -1.113 10.995 -8.674 1.00 0.72 H new ATOM 0 HZ1 LYS A 183 -1.294 13.337 -8.670 1.00 1.46 H new ATOM 0 HZ2 LYS A 183 -2.443 12.767 -7.556 1.00 1.46 H new ATOM 0 HZ3 LYS A 183 -0.988 13.445 -7.003 1.00 1.46 H new ATOM 742 N PHE A 184 1.172 9.775 -2.623 1.00 0.21 N ATOM 743 CA PHE A 184 0.646 8.918 -1.571 1.00 0.21 C ATOM 744 C PHE A 184 0.942 9.522 -0.212 1.00 0.22 C ATOM 745 O PHE A 184 0.058 9.596 0.634 1.00 0.25 O ATOM 746 CB PHE A 184 1.243 7.511 -1.660 1.00 0.22 C ATOM 747 CG PHE A 184 0.554 6.497 -0.795 1.00 0.22 C ATOM 748 CD1 PHE A 184 -0.616 5.897 -1.223 1.00 0.21 C ATOM 749 CD2 PHE A 184 1.073 6.142 0.442 1.00 0.29 C ATOM 750 CE1 PHE A 184 -1.259 4.961 -0.440 1.00 0.22 C ATOM 751 CE2 PHE A 184 0.437 5.205 1.232 1.00 0.32 C ATOM 752 CZ PHE A 184 -0.736 4.612 0.790 1.00 0.26 C ATOM 0 H PHE A 184 1.844 9.316 -3.237 1.00 0.21 H new ATOM 0 HA PHE A 184 -0.433 8.840 -1.702 1.00 0.21 H new ATOM 0 HB2 PHE A 184 1.203 7.176 -2.696 1.00 0.22 H new ATOM 0 HB3 PHE A 184 2.296 7.556 -1.380 1.00 0.22 H new ATOM 0 HD1 PHE A 184 -1.032 6.165 -2.183 1.00 0.21 H new ATOM 0 HD2 PHE A 184 1.985 6.604 0.791 1.00 0.29 H new ATOM 0 HE1 PHE A 184 -2.172 4.501 -0.789 1.00 0.22 H new ATOM 0 HE2 PHE A 184 0.852 4.935 2.192 1.00 0.32 H new ATOM 0 HZ PHE A 184 -1.239 3.880 1.405 1.00 0.26 H new ATOM 762 N GLN A 185 2.194 9.935 -0.007 1.00 0.24 N ATOM 763 CA GLN A 185 2.590 10.587 1.235 1.00 0.30 C ATOM 764 C GLN A 185 1.628 11.709 1.597 1.00 0.32 C ATOM 765 O GLN A 185 1.075 11.716 2.690 1.00 0.39 O ATOM 766 CB GLN A 185 4.030 11.118 1.159 1.00 0.35 C ATOM 767 CG GLN A 185 4.414 11.975 2.354 1.00 0.64 C ATOM 768 CD GLN A 185 5.881 11.890 2.719 1.00 0.53 C ATOM 769 OE1 GLN A 185 6.743 11.698 1.867 1.00 1.22 O ATOM 770 NE2 GLN A 185 6.162 12.036 4.006 1.00 0.82 N ATOM 0 H GLN A 185 2.948 9.828 -0.686 1.00 0.24 H new ATOM 0 HA GLN A 185 2.551 9.834 2.022 1.00 0.30 H new ATOM 0 HB2 GLN A 185 4.718 10.276 1.088 1.00 0.35 H new ATOM 0 HB3 GLN A 185 4.147 11.703 0.247 1.00 0.35 H new ATOM 0 HG2 GLN A 185 4.162 13.014 2.141 1.00 0.64 H new ATOM 0 HG3 GLN A 185 3.817 11.672 3.214 1.00 0.64 H new ATOM 0 HE21 GLN A 185 5.411 12.194 4.677 1.00 0.82 H new ATOM 0 HE22 GLN A 185 7.130 11.991 4.325 1.00 0.82 H new ATOM 779 N GLU A 186 1.404 12.633 0.680 1.00 0.29 N ATOM 780 CA GLU A 186 0.498 13.744 0.940 1.00 0.33 C ATOM 781 C GLU A 186 -0.904 13.224 1.255 1.00 0.31 C ATOM 782 O GLU A 186 -1.544 13.674 2.208 1.00 0.35 O ATOM 783 CB GLU A 186 0.467 14.705 -0.251 1.00 0.37 C ATOM 784 CG GLU A 186 1.841 15.220 -0.639 1.00 1.12 C ATOM 785 CD GLU A 186 1.780 16.374 -1.613 1.00 1.57 C ATOM 786 OE1 GLU A 186 1.340 16.162 -2.761 1.00 1.79 O ATOM 787 OE2 GLU A 186 2.190 17.495 -1.243 1.00 2.39 O ATOM 0 H GLU A 186 1.832 12.639 -0.246 1.00 0.29 H new ATOM 0 HA GLU A 186 0.863 14.293 1.808 1.00 0.33 H new ATOM 0 HB2 GLU A 186 0.021 14.199 -1.107 1.00 0.37 H new ATOM 0 HB3 GLU A 186 -0.177 15.551 -0.010 1.00 0.37 H new ATOM 0 HG2 GLU A 186 2.372 15.536 0.259 1.00 1.12 H new ATOM 0 HG3 GLU A 186 2.417 14.407 -1.081 1.00 1.12 H new ATOM 794 N TRP A 187 -1.372 12.285 0.437 1.00 0.26 N ATOM 795 CA TRP A 187 -2.643 11.603 0.672 1.00 0.26 C ATOM 796 C TRP A 187 -2.753 11.085 2.113 1.00 0.26 C ATOM 797 O TRP A 187 -3.784 11.269 2.766 1.00 0.28 O ATOM 798 CB TRP A 187 -2.828 10.454 -0.339 1.00 0.24 C ATOM 799 CG TRP A 187 -4.005 9.562 -0.053 1.00 0.23 C ATOM 800 CD1 TRP A 187 -5.302 9.744 -0.442 1.00 0.30 C ATOM 801 CD2 TRP A 187 -3.981 8.330 0.674 1.00 0.20 C ATOM 802 NE1 TRP A 187 -6.084 8.723 0.039 1.00 0.28 N ATOM 803 CE2 TRP A 187 -5.296 7.841 0.716 1.00 0.21 C ATOM 804 CE3 TRP A 187 -2.973 7.595 1.290 1.00 0.23 C ATOM 805 CZ2 TRP A 187 -5.633 6.659 1.367 1.00 0.21 C ATOM 806 CZ3 TRP A 187 -3.307 6.420 1.930 1.00 0.26 C ATOM 807 CH2 TRP A 187 -4.627 5.961 1.961 1.00 0.23 C ATOM 0 H TRP A 187 -0.884 11.976 -0.404 1.00 0.26 H new ATOM 0 HA TRP A 187 -3.443 12.330 0.528 1.00 0.26 H new ATOM 0 HB2 TRP A 187 -2.942 10.878 -1.337 1.00 0.24 H new ATOM 0 HB3 TRP A 187 -1.922 9.848 -0.352 1.00 0.24 H new ATOM 0 HD1 TRP A 187 -5.660 10.569 -1.040 1.00 0.30 H new ATOM 0 HE1 TRP A 187 -7.092 8.638 -0.090 1.00 0.28 H new ATOM 0 HE3 TRP A 187 -1.949 7.938 1.267 1.00 0.23 H new ATOM 0 HZ2 TRP A 187 -6.654 6.308 1.400 1.00 0.21 H new ATOM 0 HZ3 TRP A 187 -2.534 5.844 2.416 1.00 0.26 H new ATOM 0 HH2 TRP A 187 -4.853 5.034 2.467 1.00 0.23 H new ATOM 818 N THR A 188 -1.696 10.456 2.617 1.00 0.25 N ATOM 819 CA THR A 188 -1.741 9.885 3.958 1.00 0.27 C ATOM 820 C THR A 188 -1.451 10.919 5.055 1.00 0.29 C ATOM 821 O THR A 188 -1.880 10.734 6.191 1.00 0.32 O ATOM 822 CB THR A 188 -0.813 8.650 4.122 1.00 0.29 C ATOM 823 OG1 THR A 188 -0.616 8.358 5.511 1.00 1.21 O ATOM 824 CG2 THR A 188 0.531 8.848 3.454 1.00 1.00 C ATOM 0 H THR A 188 -0.811 10.330 2.126 1.00 0.25 H new ATOM 0 HA THR A 188 -2.769 9.545 4.083 1.00 0.27 H new ATOM 0 HB THR A 188 -1.309 7.812 3.632 1.00 0.29 H new ATOM 0 HG1 THR A 188 -1.467 8.451 5.989 1.00 1.21 H new ATOM 0 HG21 THR A 188 1.143 7.957 3.597 1.00 1.00 H new ATOM 0 HG22 THR A 188 0.385 9.021 2.388 1.00 1.00 H new ATOM 0 HG23 THR A 188 1.034 9.708 3.896 1.00 1.00 H new ATOM 832 N ARG A 189 -0.705 11.982 4.750 1.00 0.28 N ATOM 833 CA ARG A 189 -0.565 13.084 5.681 1.00 0.34 C ATOM 834 C ARG A 189 -1.918 13.729 5.963 1.00 0.36 C ATOM 835 O ARG A 189 -2.223 14.080 7.102 1.00 0.42 O ATOM 836 CB ARG A 189 0.397 14.118 5.108 1.00 0.38 C ATOM 837 CG ARG A 189 1.860 13.920 5.491 1.00 0.46 C ATOM 838 CD ARG A 189 2.477 12.632 4.974 1.00 0.63 C ATOM 839 NE ARG A 189 2.021 11.453 5.699 1.00 1.26 N ATOM 840 CZ ARG A 189 2.579 10.251 5.599 1.00 1.93 C ATOM 841 NH1 ARG A 189 3.615 10.068 4.795 1.00 2.16 N ATOM 842 NH2 ARG A 189 2.095 9.230 6.299 1.00 2.62 N ATOM 0 H ARG A 189 -0.196 12.096 3.873 1.00 0.28 H new ATOM 0 HA ARG A 189 -0.168 12.700 6.620 1.00 0.34 H new ATOM 0 HB2 ARG A 189 0.317 14.104 4.021 1.00 0.38 H new ATOM 0 HB3 ARG A 189 0.081 15.108 5.438 1.00 0.38 H new ATOM 0 HG2 ARG A 189 2.439 14.763 5.113 1.00 0.46 H new ATOM 0 HG3 ARG A 189 1.944 13.938 6.578 1.00 0.46 H new ATOM 0 HD2 ARG A 189 2.236 12.518 3.917 1.00 0.63 H new ATOM 0 HD3 ARG A 189 3.562 12.700 5.047 1.00 0.63 H new ATOM 0 HE ARG A 189 1.222 11.557 6.324 1.00 1.26 H new ATOM 0 HH11 ARG A 189 3.984 10.849 4.253 1.00 2.16 H new ATOM 0 HH12 ARG A 189 4.044 9.146 4.718 1.00 2.16 H new ATOM 0 HH21 ARG A 189 1.294 9.368 6.915 1.00 2.62 H new ATOM 0 HH22 ARG A 189 2.525 8.308 6.221 1.00 2.62 H new ATOM 856 N ALA A 190 -2.722 13.877 4.915 1.00 0.34 N ATOM 857 CA ALA A 190 -4.040 14.481 5.039 1.00 0.41 C ATOM 858 C ALA A 190 -4.949 13.650 5.938 1.00 0.34 C ATOM 859 O ALA A 190 -5.562 14.172 6.868 1.00 0.40 O ATOM 860 CB ALA A 190 -4.665 14.645 3.662 1.00 0.54 C ATOM 0 H ALA A 190 -2.481 13.585 3.968 1.00 0.34 H new ATOM 0 HA ALA A 190 -3.923 15.462 5.500 1.00 0.41 H new ATOM 0 HB1 ALA A 190 -5.652 15.098 3.762 1.00 0.54 H new ATOM 0 HB2 ALA A 190 -4.032 15.286 3.049 1.00 0.54 H new ATOM 0 HB3 ALA A 190 -4.760 13.669 3.187 1.00 0.54 H new ATOM 866 N HIS A 191 -5.045 12.358 5.654 1.00 0.36 N ATOM 867 CA HIS A 191 -5.837 11.460 6.471 1.00 0.35 C ATOM 868 C HIS A 191 -5.045 10.209 6.832 1.00 0.28 C ATOM 869 O HIS A 191 -5.086 9.203 6.117 1.00 0.33 O ATOM 870 CB HIS A 191 -7.146 11.083 5.765 1.00 0.58 C ATOM 871 CG HIS A 191 -7.075 11.039 4.272 1.00 0.49 C ATOM 872 ND1 HIS A 191 -7.599 12.026 3.466 1.00 0.53 N ATOM 873 CD2 HIS A 191 -6.557 10.112 3.437 1.00 0.91 C ATOM 874 CE1 HIS A 191 -7.412 11.705 2.204 1.00 0.81 C ATOM 875 NE2 HIS A 191 -6.779 10.549 2.156 1.00 1.04 N ATOM 0 H HIS A 191 -4.582 11.912 4.862 1.00 0.36 H new ATOM 0 HA HIS A 191 -6.087 11.984 7.394 1.00 0.35 H new ATOM 0 HB2 HIS A 191 -7.467 10.106 6.126 1.00 0.58 H new ATOM 0 HB3 HIS A 191 -7.916 11.798 6.055 1.00 0.58 H new ATOM 0 HD2 HIS A 191 -6.060 9.197 3.725 1.00 0.91 H new ATOM 0 HE1 HIS A 191 -7.724 12.289 1.351 1.00 0.81 H new ATOM 0 HE2 HIS A 191 -6.500 10.060 1.305 1.00 1.04 H new ATOM 884 N PRO A 192 -4.302 10.265 7.950 1.00 0.23 N ATOM 885 CA PRO A 192 -3.502 9.139 8.438 1.00 0.25 C ATOM 886 C PRO A 192 -4.368 7.958 8.865 1.00 0.27 C ATOM 887 O PRO A 192 -3.915 6.812 8.863 1.00 0.40 O ATOM 888 CB PRO A 192 -2.748 9.718 9.646 1.00 0.29 C ATOM 889 CG PRO A 192 -2.850 11.198 9.501 1.00 0.45 C ATOM 890 CD PRO A 192 -4.163 11.447 8.821 1.00 0.24 C ATOM 0 HA PRO A 192 -2.843 8.747 7.663 1.00 0.25 H new ATOM 0 HB2 PRO A 192 -3.191 9.383 10.584 1.00 0.29 H new ATOM 0 HB3 PRO A 192 -1.707 9.394 9.652 1.00 0.29 H new ATOM 0 HG2 PRO A 192 -2.812 11.691 10.473 1.00 0.45 H new ATOM 0 HG3 PRO A 192 -2.022 11.592 8.911 1.00 0.45 H new ATOM 0 HD2 PRO A 192 -4.982 11.522 9.536 1.00 0.24 H new ATOM 0 HD3 PRO A 192 -4.154 12.374 8.248 1.00 0.24 H new ATOM 898 N GLU A 193 -5.612 8.243 9.224 1.00 0.26 N ATOM 899 CA GLU A 193 -6.547 7.201 9.620 1.00 0.32 C ATOM 900 C GLU A 193 -6.960 6.373 8.408 1.00 0.28 C ATOM 901 O GLU A 193 -6.911 5.144 8.449 1.00 0.30 O ATOM 902 CB GLU A 193 -7.771 7.811 10.305 1.00 0.46 C ATOM 903 CG GLU A 193 -8.834 6.793 10.688 1.00 0.66 C ATOM 904 CD GLU A 193 -9.910 7.387 11.572 1.00 1.26 C ATOM 905 OE1 GLU A 193 -10.679 8.241 11.085 1.00 1.56 O ATOM 906 OE2 GLU A 193 -10.011 6.991 12.752 1.00 2.02 O ATOM 0 H GLU A 193 -5.996 9.187 9.249 1.00 0.26 H new ATOM 0 HA GLU A 193 -6.053 6.542 10.334 1.00 0.32 H new ATOM 0 HB2 GLU A 193 -7.448 8.339 11.202 1.00 0.46 H new ATOM 0 HB3 GLU A 193 -8.215 8.553 9.641 1.00 0.46 H new ATOM 0 HG2 GLU A 193 -9.291 6.391 9.784 1.00 0.66 H new ATOM 0 HG3 GLU A 193 -8.363 5.957 11.205 1.00 0.66 H new ATOM 913 N ASP A 194 -7.347 7.053 7.327 1.00 0.29 N ATOM 914 CA ASP A 194 -7.702 6.388 6.076 1.00 0.30 C ATOM 915 C ASP A 194 -6.562 5.497 5.615 1.00 0.23 C ATOM 916 O ASP A 194 -6.744 4.303 5.368 1.00 0.25 O ATOM 917 CB ASP A 194 -7.995 7.423 4.984 1.00 0.36 C ATOM 918 CG ASP A 194 -9.327 8.122 5.154 1.00 0.52 C ATOM 919 OD1 ASP A 194 -9.683 8.443 6.308 1.00 0.70 O ATOM 920 OD2 ASP A 194 -10.032 8.340 4.149 1.00 0.75 O ATOM 0 H ASP A 194 -7.422 8.070 7.295 1.00 0.29 H new ATOM 0 HA ASP A 194 -8.592 5.785 6.253 1.00 0.30 H new ATOM 0 HB2 ASP A 194 -7.200 8.169 4.980 1.00 0.36 H new ATOM 0 HB3 ASP A 194 -7.974 6.930 4.012 1.00 0.36 H new ATOM 925 N ALA A 195 -5.383 6.100 5.510 1.00 0.20 N ATOM 926 CA ALA A 195 -4.184 5.401 5.072 1.00 0.19 C ATOM 927 C ALA A 195 -3.900 4.155 5.898 1.00 0.16 C ATOM 928 O ALA A 195 -3.873 3.045 5.368 1.00 0.18 O ATOM 929 CB ALA A 195 -2.991 6.331 5.149 1.00 0.25 C ATOM 0 H ALA A 195 -5.233 7.086 5.726 1.00 0.20 H new ATOM 0 HA ALA A 195 -4.357 5.084 4.043 1.00 0.19 H new ATOM 0 HB1 ALA A 195 -2.096 5.803 4.820 1.00 0.25 H new ATOM 0 HB2 ALA A 195 -3.160 7.194 4.505 1.00 0.25 H new ATOM 0 HB3 ALA A 195 -2.857 6.666 6.177 1.00 0.25 H new ATOM 935 N ALA A 196 -3.684 4.348 7.195 1.00 0.17 N ATOM 936 CA ALA A 196 -3.285 3.255 8.069 1.00 0.20 C ATOM 937 C ALA A 196 -4.321 2.149 8.089 1.00 0.23 C ATOM 938 O ALA A 196 -3.970 0.971 8.095 1.00 0.27 O ATOM 939 CB ALA A 196 -3.009 3.766 9.471 1.00 0.21 C ATOM 0 H ALA A 196 -3.779 5.250 7.662 1.00 0.17 H new ATOM 0 HA ALA A 196 -2.364 2.830 7.670 1.00 0.20 H new ATOM 0 HB1 ALA A 196 -2.712 2.934 10.110 1.00 0.21 H new ATOM 0 HB2 ALA A 196 -2.206 4.503 9.438 1.00 0.21 H new ATOM 0 HB3 ALA A 196 -3.910 4.229 9.874 1.00 0.21 H new ATOM 945 N SER A 197 -5.595 2.510 8.077 1.00 0.22 N ATOM 946 CA SER A 197 -6.637 1.507 8.087 1.00 0.30 C ATOM 947 C SER A 197 -6.570 0.651 6.822 1.00 0.25 C ATOM 948 O SER A 197 -6.745 -0.573 6.878 1.00 0.24 O ATOM 949 CB SER A 197 -8.010 2.165 8.224 1.00 0.41 C ATOM 950 OG SER A 197 -8.092 2.943 9.408 1.00 0.96 O ATOM 0 H SER A 197 -5.924 3.475 8.061 1.00 0.22 H new ATOM 0 HA SER A 197 -6.482 0.856 8.947 1.00 0.30 H new ATOM 0 HB2 SER A 197 -8.201 2.797 7.357 1.00 0.41 H new ATOM 0 HB3 SER A 197 -8.784 1.398 8.236 1.00 0.41 H new ATOM 0 HG SER A 197 -7.810 3.862 9.216 1.00 0.96 H new ATOM 956 N LEU A 198 -6.276 1.273 5.681 1.00 0.24 N ATOM 957 CA LEU A 198 -6.198 0.560 4.420 1.00 0.22 C ATOM 958 C LEU A 198 -4.951 -0.315 4.369 1.00 0.19 C ATOM 959 O LEU A 198 -5.015 -1.477 3.974 1.00 0.20 O ATOM 960 CB LEU A 198 -6.166 1.594 3.291 1.00 0.21 C ATOM 961 CG LEU A 198 -5.961 1.043 1.882 1.00 0.22 C ATOM 962 CD1 LEU A 198 -7.125 0.159 1.477 1.00 0.26 C ATOM 963 CD2 LEU A 198 -5.787 2.179 0.887 1.00 0.24 C ATOM 0 H LEU A 198 -6.088 2.273 5.611 1.00 0.24 H new ATOM 0 HA LEU A 198 -7.064 -0.093 4.311 1.00 0.22 H new ATOM 0 HB2 LEU A 198 -7.103 2.151 3.309 1.00 0.21 H new ATOM 0 HB3 LEU A 198 -5.368 2.306 3.500 1.00 0.21 H new ATOM 0 HG LEU A 198 -5.054 0.438 1.880 1.00 0.22 H new ATOM 0 HD11 LEU A 198 -6.959 -0.223 0.470 1.00 0.26 H new ATOM 0 HD12 LEU A 198 -7.207 -0.676 2.173 1.00 0.26 H new ATOM 0 HD13 LEU A 198 -8.047 0.740 1.497 1.00 0.26 H new ATOM 0 HD21 LEU A 198 -5.642 1.768 -0.112 1.00 0.24 H new ATOM 0 HD22 LEU A 198 -6.676 2.809 0.895 1.00 0.24 H new ATOM 0 HD23 LEU A 198 -4.918 2.775 1.164 1.00 0.24 H new ATOM 975 N LEU A 199 -3.822 0.253 4.780 1.00 0.18 N ATOM 976 CA LEU A 199 -2.547 -0.458 4.783 1.00 0.21 C ATOM 977 C LEU A 199 -2.593 -1.685 5.691 1.00 0.27 C ATOM 978 O LEU A 199 -1.976 -2.709 5.400 1.00 0.37 O ATOM 979 CB LEU A 199 -1.437 0.478 5.266 1.00 0.21 C ATOM 980 CG LEU A 199 -1.116 1.668 4.363 1.00 0.23 C ATOM 981 CD1 LEU A 199 -0.108 2.585 5.036 1.00 0.27 C ATOM 982 CD2 LEU A 199 -0.566 1.189 3.036 1.00 0.31 C ATOM 0 H LEU A 199 -3.764 1.213 5.119 1.00 0.18 H new ATOM 0 HA LEU A 199 -2.347 -0.789 3.764 1.00 0.21 H new ATOM 0 HB2 LEU A 199 -1.714 0.859 6.249 1.00 0.21 H new ATOM 0 HB3 LEU A 199 -0.527 -0.108 5.396 1.00 0.21 H new ATOM 0 HG LEU A 199 -2.037 2.223 4.185 1.00 0.23 H new ATOM 0 HD11 LEU A 199 0.111 3.428 4.381 1.00 0.27 H new ATOM 0 HD12 LEU A 199 -0.521 2.953 5.975 1.00 0.27 H new ATOM 0 HD13 LEU A 199 0.810 2.032 5.235 1.00 0.27 H new ATOM 0 HD21 LEU A 199 -0.342 2.048 2.404 1.00 0.31 H new ATOM 0 HD22 LEU A 199 0.345 0.616 3.206 1.00 0.31 H new ATOM 0 HD23 LEU A 199 -1.305 0.558 2.542 1.00 0.31 H new ATOM 994 N GLU A 200 -3.325 -1.570 6.790 1.00 0.27 N ATOM 995 CA GLU A 200 -3.365 -2.620 7.797 1.00 0.37 C ATOM 996 C GLU A 200 -4.389 -3.688 7.424 1.00 0.30 C ATOM 997 O GLU A 200 -4.348 -4.807 7.939 1.00 0.37 O ATOM 998 CB GLU A 200 -3.685 -2.009 9.166 1.00 0.54 C ATOM 999 CG GLU A 200 -3.084 -2.770 10.335 1.00 0.91 C ATOM 1000 CD GLU A 200 -3.091 -1.954 11.612 1.00 1.49 C ATOM 1001 OE1 GLU A 200 -2.216 -1.073 11.761 1.00 2.03 O ATOM 1002 OE2 GLU A 200 -3.977 -2.192 12.465 1.00 1.90 O ATOM 0 H GLU A 200 -3.901 -0.757 7.007 1.00 0.27 H new ATOM 0 HA GLU A 200 -2.388 -3.101 7.847 1.00 0.37 H new ATOM 0 HB2 GLU A 200 -3.321 -0.982 9.188 1.00 0.54 H new ATOM 0 HB3 GLU A 200 -4.767 -1.967 9.290 1.00 0.54 H new ATOM 0 HG2 GLU A 200 -3.643 -3.692 10.492 1.00 0.91 H new ATOM 0 HG3 GLU A 200 -2.060 -3.055 10.093 1.00 0.91 H new ATOM 1009 N LEU A 201 -5.315 -3.341 6.540 1.00 0.26 N ATOM 1010 CA LEU A 201 -6.312 -4.300 6.085 1.00 0.25 C ATOM 1011 C LEU A 201 -5.911 -4.923 4.743 1.00 0.23 C ATOM 1012 O LEU A 201 -6.198 -6.091 4.480 1.00 0.33 O ATOM 1013 CB LEU A 201 -7.685 -3.624 5.986 1.00 0.32 C ATOM 1014 CG LEU A 201 -8.853 -4.554 5.654 1.00 0.36 C ATOM 1015 CD1 LEU A 201 -8.938 -5.683 6.669 1.00 0.40 C ATOM 1016 CD2 LEU A 201 -10.155 -3.769 5.621 1.00 0.48 C ATOM 0 H LEU A 201 -5.397 -2.412 6.127 1.00 0.26 H new ATOM 0 HA LEU A 201 -6.371 -5.107 6.816 1.00 0.25 H new ATOM 0 HB2 LEU A 201 -7.896 -3.128 6.933 1.00 0.32 H new ATOM 0 HB3 LEU A 201 -7.634 -2.847 5.224 1.00 0.32 H new ATOM 0 HG LEU A 201 -8.684 -4.990 4.669 1.00 0.36 H new ATOM 0 HD11 LEU A 201 -9.774 -6.336 6.418 1.00 0.40 H new ATOM 0 HD12 LEU A 201 -8.012 -6.258 6.653 1.00 0.40 H new ATOM 0 HD13 LEU A 201 -9.089 -5.266 7.665 1.00 0.40 H new ATOM 0 HD21 LEU A 201 -10.979 -4.441 5.384 1.00 0.48 H new ATOM 0 HD22 LEU A 201 -10.329 -3.311 6.595 1.00 0.48 H new ATOM 0 HD23 LEU A 201 -10.091 -2.991 4.861 1.00 0.48 H new ATOM 1028 N CYS A 202 -5.250 -4.143 3.893 1.00 0.19 N ATOM 1029 CA CYS A 202 -4.788 -4.632 2.599 1.00 0.20 C ATOM 1030 C CYS A 202 -3.260 -4.724 2.584 1.00 0.24 C ATOM 1031 O CYS A 202 -2.569 -3.706 2.513 1.00 0.26 O ATOM 1032 CB CYS A 202 -5.279 -3.705 1.486 1.00 0.22 C ATOM 1033 SG CYS A 202 -7.061 -3.389 1.524 1.00 0.27 S ATOM 0 H CYS A 202 -5.022 -3.166 4.078 1.00 0.19 H new ATOM 0 HA CYS A 202 -5.196 -5.629 2.430 1.00 0.20 H new ATOM 0 HB2 CYS A 202 -4.750 -2.755 1.559 1.00 0.22 H new ATOM 0 HB3 CYS A 202 -5.018 -4.142 0.522 1.00 0.22 H new ATOM 0 HG CYS A 202 -7.379 -2.834 2.656 1.00 0.27 H new ATOM 1039 N PRO A 203 -2.713 -5.952 2.628 1.00 0.30 N ATOM 1040 CA PRO A 203 -1.282 -6.162 2.847 1.00 0.36 C ATOM 1041 C PRO A 203 -0.407 -5.890 1.620 1.00 0.28 C ATOM 1042 O PRO A 203 0.817 -5.797 1.747 1.00 0.28 O ATOM 1043 CB PRO A 203 -1.198 -7.633 3.254 1.00 0.49 C ATOM 1044 CG PRO A 203 -2.388 -8.285 2.635 1.00 0.74 C ATOM 1045 CD PRO A 203 -3.445 -7.223 2.469 1.00 0.38 C ATOM 0 HA PRO A 203 -0.899 -5.464 3.592 1.00 0.36 H new ATOM 0 HB2 PRO A 203 -0.273 -8.086 2.899 1.00 0.49 H new ATOM 0 HB3 PRO A 203 -1.210 -7.742 4.338 1.00 0.49 H new ATOM 0 HG2 PRO A 203 -2.128 -8.723 1.671 1.00 0.74 H new ATOM 0 HG3 PRO A 203 -2.753 -9.096 3.265 1.00 0.74 H new ATOM 0 HD2 PRO A 203 -3.923 -7.287 1.492 1.00 0.38 H new ATOM 0 HD3 PRO A 203 -4.232 -7.325 3.216 1.00 0.38 H new ATOM 1053 N GLN A 204 -1.009 -5.746 0.441 1.00 0.25 N ATOM 1054 CA GLN A 204 -0.213 -5.515 -0.756 1.00 0.26 C ATOM 1055 C GLN A 204 0.359 -4.099 -0.743 1.00 0.19 C ATOM 1056 O GLN A 204 1.449 -3.859 -1.246 1.00 0.25 O ATOM 1057 CB GLN A 204 -1.011 -5.772 -2.048 1.00 0.39 C ATOM 1058 CG GLN A 204 -1.735 -4.555 -2.608 1.00 0.36 C ATOM 1059 CD GLN A 204 -3.117 -4.371 -2.017 1.00 1.08 C ATOM 1060 OE1 GLN A 204 -3.280 -3.753 -0.970 1.00 1.65 O ATOM 1061 NE2 GLN A 204 -4.124 -4.896 -2.696 1.00 1.12 N ATOM 0 H GLN A 204 -2.017 -5.784 0.293 1.00 0.25 H new ATOM 0 HA GLN A 204 0.609 -6.231 -0.746 1.00 0.26 H new ATOM 0 HB2 GLN A 204 -0.330 -6.153 -2.809 1.00 0.39 H new ATOM 0 HB3 GLN A 204 -1.744 -6.556 -1.855 1.00 0.39 H new ATOM 0 HG2 GLN A 204 -1.140 -3.663 -2.414 1.00 0.36 H new ATOM 0 HG3 GLN A 204 -1.818 -4.653 -3.690 1.00 0.36 H new ATOM 0 HE21 GLN A 204 -3.945 -5.403 -3.563 1.00 1.12 H new ATOM 0 HE22 GLN A 204 -5.079 -4.794 -2.352 1.00 1.12 H new ATOM 1070 N LEU A 205 -0.366 -3.175 -0.125 1.00 0.16 N ATOM 1071 CA LEU A 205 0.033 -1.775 -0.108 1.00 0.15 C ATOM 1072 C LEU A 205 1.043 -1.499 1.015 1.00 0.18 C ATOM 1073 O LEU A 205 2.039 -0.808 0.794 1.00 0.19 O ATOM 1074 CB LEU A 205 -1.205 -0.882 0.013 1.00 0.15 C ATOM 1075 CG LEU A 205 -0.948 0.621 -0.090 1.00 0.19 C ATOM 1076 CD1 LEU A 205 -0.207 0.957 -1.375 1.00 0.21 C ATOM 1077 CD2 LEU A 205 -2.262 1.381 -0.029 1.00 0.21 C ATOM 0 H LEU A 205 -1.235 -3.371 0.372 1.00 0.16 H new ATOM 0 HA LEU A 205 0.533 -1.541 -1.048 1.00 0.15 H new ATOM 0 HB2 LEU A 205 -1.913 -1.166 -0.766 1.00 0.15 H new ATOM 0 HB3 LEU A 205 -1.686 -1.086 0.970 1.00 0.15 H new ATOM 0 HG LEU A 205 -0.324 0.921 0.752 1.00 0.19 H new ATOM 0 HD11 LEU A 205 -0.036 2.032 -1.426 1.00 0.21 H new ATOM 0 HD12 LEU A 205 0.750 0.436 -1.390 1.00 0.21 H new ATOM 0 HD13 LEU A 205 -0.804 0.644 -2.232 1.00 0.21 H new ATOM 0 HD21 LEU A 205 -2.067 2.451 -0.103 1.00 0.21 H new ATOM 0 HD22 LEU A 205 -2.901 1.070 -0.856 1.00 0.21 H new ATOM 0 HD23 LEU A 205 -2.762 1.168 0.916 1.00 0.21 H new ATOM 1089 N SER A 206 0.767 -2.004 2.222 1.00 0.24 N ATOM 1090 CA SER A 206 1.750 -1.960 3.311 1.00 0.27 C ATOM 1091 C SER A 206 3.129 -2.442 2.840 1.00 0.22 C ATOM 1092 O SER A 206 4.141 -1.794 3.116 1.00 0.20 O ATOM 1093 CB SER A 206 1.257 -2.761 4.526 1.00 0.35 C ATOM 1094 OG SER A 206 0.474 -3.867 4.122 1.00 0.60 O ATOM 0 H SER A 206 -0.120 -2.444 2.469 1.00 0.24 H new ATOM 0 HA SER A 206 1.861 -0.921 3.621 1.00 0.27 H new ATOM 0 HB2 SER A 206 2.111 -3.109 5.107 1.00 0.35 H new ATOM 0 HB3 SER A 206 0.670 -2.114 5.178 1.00 0.35 H new ATOM 0 HG SER A 206 -0.436 -3.769 4.472 1.00 0.60 H new ATOM 1100 N PHE A 207 3.174 -3.544 2.096 1.00 0.21 N ATOM 1101 CA PHE A 207 4.447 -4.034 1.571 1.00 0.19 C ATOM 1102 C PHE A 207 4.879 -3.290 0.309 1.00 0.18 C ATOM 1103 O PHE A 207 6.073 -3.136 0.060 1.00 0.20 O ATOM 1104 CB PHE A 207 4.403 -5.536 1.320 1.00 0.24 C ATOM 1105 CG PHE A 207 4.918 -6.329 2.485 1.00 0.24 C ATOM 1106 CD1 PHE A 207 6.017 -5.882 3.209 1.00 0.25 C ATOM 1107 CD2 PHE A 207 4.313 -7.518 2.858 1.00 0.69 C ATOM 1108 CE1 PHE A 207 6.501 -6.609 4.279 1.00 0.26 C ATOM 1109 CE2 PHE A 207 4.794 -8.250 3.928 1.00 0.90 C ATOM 1110 CZ PHE A 207 5.889 -7.795 4.640 1.00 0.63 C ATOM 0 H PHE A 207 2.361 -4.106 1.846 1.00 0.21 H new ATOM 0 HA PHE A 207 5.196 -3.836 2.338 1.00 0.19 H new ATOM 0 HB2 PHE A 207 3.377 -5.835 1.106 1.00 0.24 H new ATOM 0 HB3 PHE A 207 4.995 -5.771 0.435 1.00 0.24 H new ATOM 0 HD1 PHE A 207 6.498 -4.956 2.932 1.00 0.25 H new ATOM 0 HD2 PHE A 207 3.456 -7.877 2.307 1.00 0.69 H new ATOM 0 HE1 PHE A 207 7.356 -6.251 4.833 1.00 0.26 H new ATOM 0 HE2 PHE A 207 4.315 -9.177 4.208 1.00 0.90 H new ATOM 0 HZ PHE A 207 6.265 -8.365 5.476 1.00 0.63 H new ATOM 1120 N VAL A 208 3.918 -2.829 -0.488 1.00 0.17 N ATOM 1121 CA VAL A 208 4.229 -1.968 -1.630 1.00 0.18 C ATOM 1122 C VAL A 208 5.070 -0.785 -1.168 1.00 0.17 C ATOM 1123 O VAL A 208 6.113 -0.483 -1.748 1.00 0.20 O ATOM 1124 CB VAL A 208 2.941 -1.459 -2.330 1.00 0.25 C ATOM 1125 CG1 VAL A 208 3.023 0.021 -2.672 1.00 0.34 C ATOM 1126 CG2 VAL A 208 2.682 -2.261 -3.589 1.00 0.46 C ATOM 0 H VAL A 208 2.926 -3.034 -0.368 1.00 0.17 H new ATOM 0 HA VAL A 208 4.790 -2.559 -2.354 1.00 0.18 H new ATOM 0 HB VAL A 208 2.116 -1.593 -1.630 1.00 0.25 H new ATOM 0 HG11 VAL A 208 2.100 0.333 -3.160 1.00 0.34 H new ATOM 0 HG12 VAL A 208 3.163 0.598 -1.758 1.00 0.34 H new ATOM 0 HG13 VAL A 208 3.865 0.193 -3.343 1.00 0.34 H new ATOM 0 HG21 VAL A 208 1.776 -1.896 -4.073 1.00 0.46 H new ATOM 0 HG22 VAL A 208 3.526 -2.152 -4.270 1.00 0.46 H new ATOM 0 HG23 VAL A 208 2.557 -3.313 -3.331 1.00 0.46 H new ATOM 1136 N THR A 209 4.617 -0.141 -0.096 1.00 0.18 N ATOM 1137 CA THR A 209 5.327 0.986 0.475 1.00 0.20 C ATOM 1138 C THR A 209 6.718 0.540 0.903 1.00 0.20 C ATOM 1139 O THR A 209 7.716 1.169 0.556 1.00 0.21 O ATOM 1140 CB THR A 209 4.566 1.561 1.687 1.00 0.24 C ATOM 1141 OG1 THR A 209 3.179 1.735 1.358 1.00 0.27 O ATOM 1142 CG2 THR A 209 5.158 2.898 2.117 1.00 0.28 C ATOM 0 H THR A 209 3.756 -0.387 0.393 1.00 0.18 H new ATOM 0 HA THR A 209 5.405 1.769 -0.280 1.00 0.20 H new ATOM 0 HB THR A 209 4.661 0.856 2.513 1.00 0.24 H new ATOM 0 HG1 THR A 209 2.740 0.860 1.317 1.00 0.27 H new ATOM 0 HG21 THR A 209 4.604 3.283 2.973 1.00 0.28 H new ATOM 0 HG22 THR A 209 6.204 2.761 2.393 1.00 0.28 H new ATOM 0 HG23 THR A 209 5.090 3.608 1.293 1.00 0.28 H new ATOM 1150 N ALA A 210 6.760 -0.579 1.623 1.00 0.20 N ATOM 1151 CA ALA A 210 8.005 -1.163 2.110 1.00 0.21 C ATOM 1152 C ALA A 210 9.043 -1.335 1.000 1.00 0.17 C ATOM 1153 O ALA A 210 10.117 -0.740 1.059 1.00 0.18 O ATOM 1154 CB ALA A 210 7.723 -2.502 2.767 1.00 0.26 C ATOM 0 H ALA A 210 5.928 -1.107 1.885 1.00 0.20 H new ATOM 0 HA ALA A 210 8.425 -0.471 2.840 1.00 0.21 H new ATOM 0 HB1 ALA A 210 8.656 -2.934 3.129 1.00 0.26 H new ATOM 0 HB2 ALA A 210 7.040 -2.360 3.605 1.00 0.26 H new ATOM 0 HB3 ALA A 210 7.270 -3.176 2.040 1.00 0.26 H new ATOM 1160 N GLU A 211 8.723 -2.138 -0.009 1.00 0.19 N ATOM 1161 CA GLU A 211 9.677 -2.440 -1.075 1.00 0.20 C ATOM 1162 C GLU A 211 10.082 -1.190 -1.866 1.00 0.18 C ATOM 1163 O GLU A 211 11.235 -1.071 -2.292 1.00 0.22 O ATOM 1164 CB GLU A 211 9.130 -3.517 -2.015 1.00 0.28 C ATOM 1165 CG GLU A 211 9.441 -4.947 -1.575 1.00 1.01 C ATOM 1166 CD GLU A 211 8.769 -5.344 -0.274 1.00 1.30 C ATOM 1167 OE1 GLU A 211 9.274 -4.961 0.799 1.00 1.87 O ATOM 1168 OE2 GLU A 211 7.756 -6.074 -0.325 1.00 1.63 O ATOM 0 H GLU A 211 7.815 -2.591 -0.113 1.00 0.19 H new ATOM 0 HA GLU A 211 10.576 -2.823 -0.592 1.00 0.20 H new ATOM 0 HB2 GLU A 211 8.049 -3.400 -2.094 1.00 0.28 H new ATOM 0 HB3 GLU A 211 9.542 -3.357 -3.011 1.00 0.28 H new ATOM 0 HG2 GLU A 211 9.128 -5.635 -2.360 1.00 1.01 H new ATOM 0 HG3 GLU A 211 10.520 -5.058 -1.465 1.00 1.01 H new ATOM 1175 N LEU A 212 9.152 -0.251 -2.061 1.00 0.17 N ATOM 1176 CA LEU A 212 9.482 1.009 -2.732 1.00 0.18 C ATOM 1177 C LEU A 212 10.449 1.827 -1.874 1.00 0.18 C ATOM 1178 O LEU A 212 11.348 2.496 -2.389 1.00 0.22 O ATOM 1179 CB LEU A 212 8.218 1.826 -3.048 1.00 0.18 C ATOM 1180 CG LEU A 212 7.221 1.145 -3.988 1.00 0.18 C ATOM 1181 CD1 LEU A 212 5.984 2.010 -4.165 1.00 0.19 C ATOM 1182 CD2 LEU A 212 7.866 0.860 -5.336 1.00 0.20 C ATOM 0 H LEU A 212 8.179 -0.337 -1.769 1.00 0.17 H new ATOM 0 HA LEU A 212 9.965 0.769 -3.679 1.00 0.18 H new ATOM 0 HB2 LEU A 212 7.710 2.057 -2.111 1.00 0.18 H new ATOM 0 HB3 LEU A 212 8.519 2.776 -3.490 1.00 0.18 H new ATOM 0 HG LEU A 212 6.921 0.196 -3.543 1.00 0.18 H new ATOM 0 HD11 LEU A 212 5.285 1.512 -4.836 1.00 0.19 H new ATOM 0 HD12 LEU A 212 5.508 2.167 -3.197 1.00 0.19 H new ATOM 0 HD13 LEU A 212 6.271 2.972 -4.589 1.00 0.19 H new ATOM 0 HD21 LEU A 212 7.142 0.376 -5.991 1.00 0.20 H new ATOM 0 HD22 LEU A 212 8.194 1.796 -5.788 1.00 0.20 H new ATOM 0 HD23 LEU A 212 8.725 0.204 -5.197 1.00 0.20 H new ATOM 1194 N LEU A 213 10.264 1.760 -0.562 1.00 0.16 N ATOM 1195 CA LEU A 213 11.214 2.343 0.382 1.00 0.16 C ATOM 1196 C LEU A 213 12.578 1.681 0.224 1.00 0.17 C ATOM 1197 O LEU A 213 13.614 2.353 0.203 1.00 0.23 O ATOM 1198 CB LEU A 213 10.727 2.150 1.825 1.00 0.17 C ATOM 1199 CG LEU A 213 9.423 2.859 2.193 1.00 0.20 C ATOM 1200 CD1 LEU A 213 8.983 2.453 3.596 1.00 0.22 C ATOM 1201 CD2 LEU A 213 9.598 4.367 2.101 1.00 0.24 C ATOM 0 H LEU A 213 9.462 1.306 -0.124 1.00 0.16 H new ATOM 0 HA LEU A 213 11.295 3.409 0.171 1.00 0.16 H new ATOM 0 HB2 LEU A 213 10.600 1.082 2.005 1.00 0.17 H new ATOM 0 HB3 LEU A 213 11.509 2.496 2.501 1.00 0.17 H new ATOM 0 HG LEU A 213 8.648 2.560 1.487 1.00 0.20 H new ATOM 0 HD11 LEU A 213 8.054 2.964 3.848 1.00 0.22 H new ATOM 0 HD12 LEU A 213 8.826 1.375 3.630 1.00 0.22 H new ATOM 0 HD13 LEU A 213 9.755 2.730 4.314 1.00 0.22 H new ATOM 0 HD21 LEU A 213 8.662 4.859 2.366 1.00 0.24 H new ATOM 0 HD22 LEU A 213 10.382 4.685 2.788 1.00 0.24 H new ATOM 0 HD23 LEU A 213 9.876 4.640 1.083 1.00 0.24 H new ATOM 1213 N LEU A 214 12.558 0.355 0.102 1.00 0.18 N ATOM 1214 CA LEU A 214 13.776 -0.442 0.001 1.00 0.22 C ATOM 1215 C LEU A 214 14.583 -0.062 -1.234 1.00 0.27 C ATOM 1216 O LEU A 214 15.792 0.157 -1.150 1.00 0.36 O ATOM 1217 CB LEU A 214 13.442 -1.941 -0.065 1.00 0.20 C ATOM 1218 CG LEU A 214 12.566 -2.492 1.061 1.00 0.23 C ATOM 1219 CD1 LEU A 214 12.425 -4.000 0.933 1.00 0.25 C ATOM 1220 CD2 LEU A 214 13.130 -2.122 2.417 1.00 0.32 C ATOM 0 H LEU A 214 11.699 -0.194 0.071 1.00 0.18 H new ATOM 0 HA LEU A 214 14.369 -0.238 0.892 1.00 0.22 H new ATOM 0 HB2 LEU A 214 12.943 -2.139 -1.014 1.00 0.20 H new ATOM 0 HB3 LEU A 214 14.378 -2.500 -0.074 1.00 0.20 H new ATOM 0 HG LEU A 214 11.577 -2.042 0.974 1.00 0.23 H new ATOM 0 HD11 LEU A 214 11.799 -4.377 1.742 1.00 0.25 H new ATOM 0 HD12 LEU A 214 11.965 -4.242 -0.025 1.00 0.25 H new ATOM 0 HD13 LEU A 214 13.410 -4.464 0.990 1.00 0.25 H new ATOM 0 HD21 LEU A 214 12.489 -2.526 3.200 1.00 0.32 H new ATOM 0 HD22 LEU A 214 14.133 -2.537 2.519 1.00 0.32 H new ATOM 0 HD23 LEU A 214 13.175 -1.037 2.508 1.00 0.32 H new ATOM 1232 N THR A 215 13.908 0.002 -2.377 1.00 0.34 N ATOM 1233 CA THR A 215 14.577 0.265 -3.645 1.00 0.43 C ATOM 1234 C THR A 215 15.170 1.674 -3.711 1.00 0.39 C ATOM 1235 O THR A 215 16.210 1.870 -4.336 1.00 0.42 O ATOM 1236 CB THR A 215 13.650 0.016 -4.859 1.00 0.60 C ATOM 1237 OG1 THR A 215 14.372 0.215 -6.080 1.00 1.48 O ATOM 1238 CG2 THR A 215 12.430 0.924 -4.841 1.00 0.55 C ATOM 0 H THR A 215 12.899 -0.125 -2.451 1.00 0.34 H new ATOM 0 HA THR A 215 15.401 -0.447 -3.697 1.00 0.43 H new ATOM 0 HB THR A 215 13.304 -1.016 -4.794 1.00 0.60 H new ATOM 0 HG1 THR A 215 13.777 0.054 -6.842 1.00 1.48 H new ATOM 0 HG21 THR A 215 11.808 0.715 -5.711 1.00 0.55 H new ATOM 0 HG22 THR A 215 11.856 0.744 -3.932 1.00 0.55 H new ATOM 0 HG23 THR A 215 12.751 1.965 -4.867 1.00 0.55 H new ATOM 1246 N ASN A 216 14.524 2.655 -3.078 1.00 0.39 N ATOM 1247 CA ASN A 216 15.071 4.009 -3.059 1.00 0.44 C ATOM 1248 C ASN A 216 16.193 4.137 -2.031 1.00 0.39 C ATOM 1249 O ASN A 216 16.936 5.118 -2.032 1.00 0.50 O ATOM 1250 CB ASN A 216 13.985 5.052 -2.777 1.00 0.51 C ATOM 1251 CG ASN A 216 13.079 5.302 -3.963 1.00 1.05 C ATOM 1252 OD1 ASN A 216 13.390 6.106 -4.836 1.00 1.85 O ATOM 1253 ND2 ASN A 216 11.938 4.642 -3.988 1.00 1.13 N ATOM 0 H ASN A 216 13.640 2.540 -2.582 1.00 0.39 H new ATOM 0 HA ASN A 216 15.481 4.200 -4.051 1.00 0.44 H new ATOM 0 HB2 ASN A 216 13.383 4.721 -1.931 1.00 0.51 H new ATOM 0 HB3 ASN A 216 14.458 5.990 -2.484 1.00 0.51 H new ATOM 0 HD21 ASN A 216 11.279 4.792 -4.752 1.00 1.13 H new ATOM 0 HD22 ASN A 216 11.715 3.981 -3.244 1.00 1.13 H new ATOM 1260 N GLY A 217 16.302 3.159 -1.139 1.00 0.29 N ATOM 1261 CA GLY A 217 17.405 3.139 -0.201 1.00 0.26 C ATOM 1262 C GLY A 217 17.153 3.975 1.038 1.00 0.31 C ATOM 1263 O GLY A 217 18.066 4.203 1.829 1.00 0.40 O ATOM 0 H GLY A 217 15.647 2.382 -1.050 1.00 0.29 H new ATOM 0 HA2 GLY A 217 17.600 2.109 0.098 1.00 0.26 H new ATOM 0 HA3 GLY A 217 18.304 3.502 -0.700 1.00 0.26 H new ATOM 1267 N ILE A 218 15.924 4.454 1.199 1.00 0.42 N ATOM 1268 CA ILE A 218 15.551 5.203 2.396 1.00 0.55 C ATOM 1269 C ILE A 218 15.666 4.321 3.639 1.00 0.45 C ATOM 1270 O ILE A 218 16.343 4.674 4.608 1.00 0.55 O ATOM 1271 CB ILE A 218 14.110 5.752 2.288 1.00 0.76 C ATOM 1272 CG1 ILE A 218 13.972 6.623 1.038 1.00 1.00 C ATOM 1273 CG2 ILE A 218 13.733 6.537 3.540 1.00 0.89 C ATOM 1274 CD1 ILE A 218 14.908 7.809 1.015 1.00 2.21 C ATOM 0 H ILE A 218 15.172 4.338 0.520 1.00 0.42 H new ATOM 0 HA ILE A 218 16.239 6.044 2.483 1.00 0.55 H new ATOM 0 HB ILE A 218 13.423 4.910 2.203 1.00 0.76 H new ATOM 0 HG12 ILE A 218 14.157 6.009 0.156 1.00 1.00 H new ATOM 0 HG13 ILE A 218 12.945 6.981 0.968 1.00 1.00 H new ATOM 0 HG21 ILE A 218 12.715 6.913 3.441 1.00 0.89 H new ATOM 0 HG22 ILE A 218 13.795 5.885 4.411 1.00 0.89 H new ATOM 0 HG23 ILE A 218 14.419 7.375 3.664 1.00 0.89 H new ATOM 0 HD11 ILE A 218 14.751 8.378 0.099 1.00 2.21 H new ATOM 0 HD12 ILE A 218 14.709 8.446 1.877 1.00 2.21 H new ATOM 0 HD13 ILE A 218 15.940 7.459 1.053 1.00 2.21 H new ATOM 1286 N CYS A 219 15.017 3.172 3.588 1.00 0.39 N ATOM 1287 CA CYS A 219 15.045 2.212 4.680 1.00 0.42 C ATOM 1288 C CYS A 219 15.191 0.813 4.112 1.00 0.35 C ATOM 1289 O CYS A 219 14.949 0.597 2.923 1.00 0.34 O ATOM 1290 CB CYS A 219 13.762 2.317 5.509 1.00 0.53 C ATOM 1291 SG CYS A 219 13.578 3.890 6.376 1.00 0.86 S ATOM 0 H CYS A 219 14.455 2.877 2.789 1.00 0.39 H new ATOM 0 HA CYS A 219 15.893 2.428 5.330 1.00 0.42 H new ATOM 0 HB2 CYS A 219 12.904 2.173 4.852 1.00 0.53 H new ATOM 0 HB3 CYS A 219 13.745 1.507 6.238 1.00 0.53 H new ATOM 0 HG CYS A 219 12.445 3.904 7.014 1.00 0.86 H new ATOM 1297 N LYS A 220 15.602 -0.132 4.944 1.00 0.39 N ATOM 1298 CA LYS A 220 15.794 -1.498 4.488 1.00 0.42 C ATOM 1299 C LYS A 220 14.819 -2.431 5.197 1.00 0.36 C ATOM 1300 O LYS A 220 14.026 -1.981 6.022 1.00 0.31 O ATOM 1301 CB LYS A 220 17.240 -1.958 4.710 1.00 0.54 C ATOM 1302 CG LYS A 220 18.290 -1.000 4.154 1.00 0.63 C ATOM 1303 CD LYS A 220 18.052 -0.667 2.684 1.00 1.57 C ATOM 1304 CE LYS A 220 18.199 -1.884 1.783 1.00 2.57 C ATOM 1305 NZ LYS A 220 18.065 -1.517 0.348 1.00 3.40 N ATOM 0 H LYS A 220 15.807 0.021 5.931 1.00 0.39 H new ATOM 0 HA LYS A 220 15.596 -1.531 3.417 1.00 0.42 H new ATOM 0 HB2 LYS A 220 17.410 -2.085 5.779 1.00 0.54 H new ATOM 0 HB3 LYS A 220 17.374 -2.936 4.247 1.00 0.54 H new ATOM 0 HG2 LYS A 220 18.284 -0.080 4.738 1.00 0.63 H new ATOM 0 HG3 LYS A 220 19.279 -1.443 4.268 1.00 0.63 H new ATOM 0 HD2 LYS A 220 17.052 -0.250 2.566 1.00 1.57 H new ATOM 0 HD3 LYS A 220 18.758 0.102 2.370 1.00 1.57 H new ATOM 0 HE2 LYS A 220 19.171 -2.348 1.952 1.00 2.57 H new ATOM 0 HE3 LYS A 220 17.442 -2.624 2.043 1.00 2.57 H new ATOM 0 HZ1 LYS A 220 18.017 -2.381 -0.228 1.00 3.40 H new ATOM 0 HZ2 LYS A 220 17.197 -0.961 0.211 1.00 3.40 H new ATOM 0 HZ3 LYS A 220 18.887 -0.951 0.056 1.00 3.40 H new ATOM 1319 N VAL A 221 14.861 -3.717 4.869 1.00 0.40 N ATOM 1320 CA VAL A 221 13.921 -4.686 5.442 1.00 0.41 C ATOM 1321 C VAL A 221 13.973 -4.676 6.973 1.00 0.40 C ATOM 1322 O VAL A 221 12.946 -4.768 7.655 1.00 0.39 O ATOM 1323 CB VAL A 221 14.198 -6.116 4.932 1.00 0.50 C ATOM 1324 CG1 VAL A 221 13.201 -7.107 5.515 1.00 0.55 C ATOM 1325 CG2 VAL A 221 14.163 -6.152 3.412 1.00 0.55 C ATOM 0 H VAL A 221 15.531 -4.117 4.212 1.00 0.40 H new ATOM 0 HA VAL A 221 12.925 -4.384 5.118 1.00 0.41 H new ATOM 0 HB VAL A 221 15.194 -6.408 5.264 1.00 0.50 H new ATOM 0 HG11 VAL A 221 13.419 -8.107 5.139 1.00 0.55 H new ATOM 0 HG12 VAL A 221 13.278 -7.103 6.602 1.00 0.55 H new ATOM 0 HG13 VAL A 221 12.191 -6.822 5.222 1.00 0.55 H new ATOM 0 HG21 VAL A 221 14.360 -7.167 3.067 1.00 0.55 H new ATOM 0 HG22 VAL A 221 13.180 -5.835 3.063 1.00 0.55 H new ATOM 0 HG23 VAL A 221 14.923 -5.480 3.015 1.00 0.55 H new ATOM 1335 N ASP A 222 15.174 -4.522 7.507 1.00 0.44 N ATOM 1336 CA ASP A 222 15.380 -4.521 8.950 1.00 0.50 C ATOM 1337 C ASP A 222 14.820 -3.249 9.594 1.00 0.42 C ATOM 1338 O ASP A 222 14.693 -3.176 10.812 1.00 0.43 O ATOM 1339 CB ASP A 222 16.861 -4.703 9.290 1.00 0.68 C ATOM 1340 CG ASP A 222 17.728 -3.532 8.880 1.00 1.28 C ATOM 1341 OD1 ASP A 222 18.075 -3.440 7.683 1.00 2.02 O ATOM 1342 OD2 ASP A 222 18.092 -2.728 9.762 1.00 1.91 O ATOM 0 H ASP A 222 16.026 -4.395 6.961 1.00 0.44 H new ATOM 0 HA ASP A 222 14.831 -5.367 9.364 1.00 0.50 H new ATOM 0 HB2 ASP A 222 16.961 -4.860 10.364 1.00 0.68 H new ATOM 0 HB3 ASP A 222 17.229 -5.605 8.801 1.00 0.68 H new ATOM 1347 N ASP A 223 14.504 -2.248 8.766 1.00 0.38 N ATOM 1348 CA ASP A 223 13.839 -1.025 9.224 1.00 0.37 C ATOM 1349 C ASP A 223 12.320 -1.207 9.204 1.00 0.30 C ATOM 1350 O ASP A 223 11.571 -0.369 9.697 1.00 0.31 O ATOM 1351 CB ASP A 223 14.209 0.172 8.338 1.00 0.44 C ATOM 1352 CG ASP A 223 15.662 0.577 8.460 1.00 0.52 C ATOM 1353 OD1 ASP A 223 16.008 1.265 9.440 1.00 0.59 O ATOM 1354 OD2 ASP A 223 16.456 0.224 7.567 1.00 0.61 O ATOM 0 H ASP A 223 14.701 -2.263 7.765 1.00 0.38 H new ATOM 0 HA ASP A 223 14.175 -0.829 10.242 1.00 0.37 H new ATOM 0 HB2 ASP A 223 13.993 -0.073 7.298 1.00 0.44 H new ATOM 0 HB3 ASP A 223 13.578 1.021 8.603 1.00 0.44 H new ATOM 1359 N LEU A 224 11.887 -2.322 8.636 1.00 0.28 N ATOM 1360 CA LEU A 224 10.463 -2.605 8.478 1.00 0.28 C ATOM 1361 C LEU A 224 9.947 -3.447 9.638 1.00 0.28 C ATOM 1362 O LEU A 224 8.823 -3.282 10.094 1.00 0.26 O ATOM 1363 CB LEU A 224 10.206 -3.317 7.151 1.00 0.35 C ATOM 1364 CG LEU A 224 10.633 -2.534 5.915 1.00 0.39 C ATOM 1365 CD1 LEU A 224 10.424 -3.370 4.669 1.00 0.49 C ATOM 1366 CD2 LEU A 224 9.856 -1.229 5.820 1.00 0.41 C ATOM 0 H LEU A 224 12.502 -3.051 8.274 1.00 0.28 H new ATOM 0 HA LEU A 224 9.925 -1.657 8.477 1.00 0.28 H new ATOM 0 HB2 LEU A 224 10.731 -4.272 7.159 1.00 0.35 H new ATOM 0 HB3 LEU A 224 9.142 -3.539 7.074 1.00 0.35 H new ATOM 0 HG LEU A 224 11.693 -2.296 5.999 1.00 0.39 H new ATOM 0 HD11 LEU A 224 10.733 -2.800 3.793 1.00 0.49 H new ATOM 0 HD12 LEU A 224 11.019 -4.281 4.738 1.00 0.49 H new ATOM 0 HD13 LEU A 224 9.370 -3.632 4.579 1.00 0.49 H new ATOM 0 HD21 LEU A 224 10.172 -0.681 4.932 1.00 0.41 H new ATOM 0 HD22 LEU A 224 8.790 -1.445 5.753 1.00 0.41 H new ATOM 0 HD23 LEU A 224 10.049 -0.625 6.707 1.00 0.41 H new ATOM 1378 N ILE A 225 10.782 -4.361 10.089 1.00 0.37 N ATOM 1379 CA ILE A 225 10.481 -5.174 11.270 1.00 0.42 C ATOM 1380 C ILE A 225 10.191 -4.321 12.522 1.00 0.40 C ATOM 1381 O ILE A 225 9.358 -4.706 13.327 1.00 0.48 O ATOM 1382 CB ILE A 225 11.624 -6.165 11.556 1.00 0.49 C ATOM 1383 CG1 ILE A 225 12.124 -6.744 10.230 1.00 0.56 C ATOM 1384 CG2 ILE A 225 11.159 -7.273 12.496 1.00 0.71 C ATOM 1385 CD1 ILE A 225 13.090 -7.893 10.384 1.00 0.59 C ATOM 0 H ILE A 225 11.683 -4.567 9.658 1.00 0.37 H new ATOM 0 HA ILE A 225 9.572 -5.730 11.041 1.00 0.42 H new ATOM 0 HB ILE A 225 12.442 -5.642 12.051 1.00 0.49 H new ATOM 0 HG12 ILE A 225 11.267 -7.080 9.646 1.00 0.56 H new ATOM 0 HG13 ILE A 225 12.607 -5.951 9.659 1.00 0.56 H new ATOM 0 HG21 ILE A 225 11.983 -7.961 12.683 1.00 0.71 H new ATOM 0 HG22 ILE A 225 10.830 -6.836 13.439 1.00 0.71 H new ATOM 0 HG23 ILE A 225 10.331 -7.815 12.038 1.00 0.71 H new ATOM 0 HD11 ILE A 225 13.396 -8.246 9.399 1.00 0.59 H new ATOM 0 HD12 ILE A 225 13.967 -7.559 10.939 1.00 0.59 H new ATOM 0 HD13 ILE A 225 12.606 -8.705 10.926 1.00 0.59 H new ATOM 1397 N PRO A 226 10.875 -3.172 12.742 1.00 0.36 N ATOM 1398 CA PRO A 226 10.469 -2.216 13.785 1.00 0.39 C ATOM 1399 C PRO A 226 9.024 -1.740 13.619 1.00 0.38 C ATOM 1400 O PRO A 226 8.377 -1.347 14.593 1.00 0.52 O ATOM 1401 CB PRO A 226 11.443 -1.050 13.602 1.00 0.43 C ATOM 1402 CG PRO A 226 12.644 -1.663 12.978 1.00 0.44 C ATOM 1403 CD PRO A 226 12.128 -2.756 12.088 1.00 0.37 C ATOM 0 HA PRO A 226 10.503 -2.665 14.778 1.00 0.39 H new ATOM 0 HB2 PRO A 226 11.018 -0.274 12.966 1.00 0.43 H new ATOM 0 HB3 PRO A 226 11.686 -0.583 14.556 1.00 0.43 H new ATOM 0 HG2 PRO A 226 13.207 -0.926 12.406 1.00 0.44 H new ATOM 0 HG3 PRO A 226 13.319 -2.061 13.736 1.00 0.44 H new ATOM 0 HD2 PRO A 226 11.951 -2.398 11.074 1.00 0.37 H new ATOM 0 HD3 PRO A 226 12.836 -3.582 12.015 1.00 0.37 H new ATOM 1411 N LEU A 227 8.527 -1.768 12.386 1.00 0.29 N ATOM 1412 CA LEU A 227 7.128 -1.458 12.125 1.00 0.35 C ATOM 1413 C LEU A 227 6.272 -2.646 12.533 1.00 0.43 C ATOM 1414 O LEU A 227 5.194 -2.482 13.094 1.00 0.70 O ATOM 1415 CB LEU A 227 6.890 -1.152 10.642 1.00 0.33 C ATOM 1416 CG LEU A 227 7.750 -0.046 10.051 1.00 0.31 C ATOM 1417 CD1 LEU A 227 7.500 0.054 8.562 1.00 0.33 C ATOM 1418 CD2 LEU A 227 7.447 1.275 10.726 1.00 0.37 C ATOM 0 H LEU A 227 9.071 -2.001 11.555 1.00 0.29 H new ATOM 0 HA LEU A 227 6.859 -0.574 12.703 1.00 0.35 H new ATOM 0 HB2 LEU A 227 7.060 -2.064 10.070 1.00 0.33 H new ATOM 0 HB3 LEU A 227 5.842 -0.883 10.509 1.00 0.33 H new ATOM 0 HG LEU A 227 8.800 -0.284 10.220 1.00 0.31 H new ATOM 0 HD11 LEU A 227 8.118 0.848 8.142 1.00 0.33 H new ATOM 0 HD12 LEU A 227 7.753 -0.893 8.086 1.00 0.33 H new ATOM 0 HD13 LEU A 227 6.449 0.280 8.384 1.00 0.33 H new ATOM 0 HD21 LEU A 227 8.070 2.057 10.292 1.00 0.37 H new ATOM 0 HD22 LEU A 227 6.396 1.526 10.580 1.00 0.37 H new ATOM 0 HD23 LEU A 227 7.656 1.195 11.793 1.00 0.37 H new ATOM 1430 N ALA A 228 6.784 -3.846 12.259 1.00 0.54 N ATOM 1431 CA ALA A 228 6.085 -5.085 12.574 1.00 0.66 C ATOM 1432 C ALA A 228 6.238 -5.424 14.051 1.00 0.73 C ATOM 1433 O ALA A 228 7.286 -5.889 14.497 1.00 1.47 O ATOM 1434 CB ALA A 228 6.612 -6.223 11.709 1.00 0.76 C ATOM 0 H ALA A 228 7.692 -3.983 11.814 1.00 0.54 H new ATOM 0 HA ALA A 228 5.025 -4.949 12.361 1.00 0.66 H new ATOM 0 HB1 ALA A 228 6.081 -7.143 11.955 1.00 0.76 H new ATOM 0 HB2 ALA A 228 6.455 -5.983 10.657 1.00 0.76 H new ATOM 0 HB3 ALA A 228 7.677 -6.358 11.895 1.00 0.76 H new ATOM 1441 N GLU B 630 -10.268 10.230 -3.130 1.00 1.19 N ATOM 1442 CA GLU B 630 -9.835 8.980 -2.494 1.00 0.73 C ATOM 1443 C GLU B 630 -8.412 8.569 -2.911 1.00 0.58 C ATOM 1444 O GLU B 630 -7.465 9.336 -2.729 1.00 0.83 O ATOM 1445 CB GLU B 630 -10.821 7.836 -2.757 1.00 1.57 C ATOM 1446 CG GLU B 630 -12.214 8.045 -2.167 1.00 2.16 C ATOM 1447 CD GLU B 630 -13.180 8.737 -3.112 1.00 2.88 C ATOM 1448 OE1 GLU B 630 -13.130 9.986 -3.214 1.00 3.07 O ATOM 1449 OE2 GLU B 630 -13.985 8.047 -3.766 1.00 3.66 O ATOM 0 HA GLU B 630 -9.819 9.178 -1.422 1.00 0.73 H new ATOM 0 HB2 GLU B 630 -10.915 7.696 -3.834 1.00 1.57 H new ATOM 0 HB3 GLU B 630 -10.404 6.915 -2.351 1.00 1.57 H new ATOM 0 HG2 GLU B 630 -12.628 7.077 -1.883 1.00 2.16 H new ATOM 0 HG3 GLU B 630 -12.128 8.635 -1.254 1.00 2.16 H new ATOM 1455 N LEU B 631 -8.275 7.353 -3.446 1.00 0.48 N ATOM 1456 CA LEU B 631 -6.973 6.795 -3.817 1.00 0.35 C ATOM 1457 C LEU B 631 -6.496 7.263 -5.186 1.00 0.41 C ATOM 1458 O LEU B 631 -7.267 7.330 -6.141 1.00 0.51 O ATOM 1459 CB LEU B 631 -7.047 5.266 -3.827 1.00 0.31 C ATOM 1460 CG LEU B 631 -6.994 4.594 -2.457 1.00 0.30 C ATOM 1461 CD1 LEU B 631 -7.228 3.099 -2.591 1.00 0.37 C ATOM 1462 CD2 LEU B 631 -5.652 4.852 -1.793 1.00 0.27 C ATOM 0 H LEU B 631 -9.061 6.730 -3.633 1.00 0.48 H new ATOM 0 HA LEU B 631 -6.260 7.150 -3.073 1.00 0.35 H new ATOM 0 HB2 LEU B 631 -7.971 4.968 -4.322 1.00 0.31 H new ATOM 0 HB3 LEU B 631 -6.224 4.884 -4.431 1.00 0.31 H new ATOM 0 HG LEU B 631 -7.782 5.018 -1.835 1.00 0.30 H new ATOM 0 HD11 LEU B 631 -7.187 2.635 -1.606 1.00 0.37 H new ATOM 0 HD12 LEU B 631 -8.208 2.922 -3.035 1.00 0.37 H new ATOM 0 HD13 LEU B 631 -6.457 2.666 -3.229 1.00 0.37 H new ATOM 0 HD21 LEU B 631 -5.630 4.367 -0.817 1.00 0.27 H new ATOM 0 HD22 LEU B 631 -4.854 4.450 -2.417 1.00 0.27 H new ATOM 0 HD23 LEU B 631 -5.508 5.925 -1.668 1.00 0.27 H new ATOM 1474 N PRO B 632 -5.203 7.599 -5.282 1.00 0.41 N ATOM 1475 CA PRO B 632 -4.532 7.868 -6.559 1.00 0.52 C ATOM 1476 C PRO B 632 -4.607 6.704 -7.537 1.00 0.48 C ATOM 1477 O PRO B 632 -4.595 5.533 -7.148 1.00 0.46 O ATOM 1478 CB PRO B 632 -3.077 8.068 -6.160 1.00 0.70 C ATOM 1479 CG PRO B 632 -3.135 8.532 -4.752 1.00 0.56 C ATOM 1480 CD PRO B 632 -4.294 7.798 -4.139 1.00 0.41 C ATOM 0 HA PRO B 632 -4.997 8.713 -7.066 1.00 0.52 H new ATOM 0 HB2 PRO B 632 -2.511 7.141 -6.249 1.00 0.70 H new ATOM 0 HB3 PRO B 632 -2.588 8.803 -6.800 1.00 0.70 H new ATOM 0 HG2 PRO B 632 -2.206 8.310 -4.226 1.00 0.56 H new ATOM 0 HG3 PRO B 632 -3.281 9.611 -4.699 1.00 0.56 H new ATOM 0 HD2 PRO B 632 -3.984 6.850 -3.700 1.00 0.41 H new ATOM 0 HD3 PRO B 632 -4.765 8.378 -3.345 1.00 0.41 H new ATOM 1488 N THR B 633 -4.678 7.063 -8.808 1.00 0.55 N ATOM 1489 CA THR B 633 -4.620 6.110 -9.909 1.00 0.66 C ATOM 1490 C THR B 633 -3.385 5.208 -9.813 1.00 0.56 C ATOM 1491 O THR B 633 -3.463 4.010 -10.082 1.00 0.55 O ATOM 1492 CB THR B 633 -4.625 6.859 -11.256 1.00 0.91 C ATOM 1493 OG1 THR B 633 -3.812 8.042 -11.160 1.00 1.82 O ATOM 1494 CG2 THR B 633 -6.041 7.246 -11.653 1.00 1.32 C ATOM 0 H THR B 633 -4.778 8.032 -9.110 1.00 0.55 H new ATOM 0 HA THR B 633 -5.502 5.473 -9.844 1.00 0.66 H new ATOM 0 HB THR B 633 -4.218 6.196 -12.019 1.00 0.91 H new ATOM 0 HG1 THR B 633 -2.872 7.806 -11.309 1.00 1.82 H new ATOM 0 HG21 THR B 633 -6.020 7.773 -12.607 1.00 1.32 H new ATOM 0 HG22 THR B 633 -6.651 6.347 -11.749 1.00 1.32 H new ATOM 0 HG23 THR B 633 -6.469 7.895 -10.889 1.00 1.32 H new ATOM 1502 N GLU B 634 -2.253 5.801 -9.430 1.00 0.55 N ATOM 1503 CA GLU B 634 -1.007 5.063 -9.224 1.00 0.54 C ATOM 1504 C GLU B 634 -1.209 3.915 -8.237 1.00 0.43 C ATOM 1505 O GLU B 634 -0.766 2.792 -8.475 1.00 0.45 O ATOM 1506 CB GLU B 634 0.090 6.005 -8.710 1.00 0.62 C ATOM 1507 CG GLU B 634 0.536 7.062 -9.718 1.00 1.26 C ATOM 1508 CD GLU B 634 -0.589 7.988 -10.136 1.00 1.30 C ATOM 1509 OE1 GLU B 634 -1.168 8.653 -9.255 1.00 1.65 O ATOM 1510 OE2 GLU B 634 -0.928 8.012 -11.337 1.00 1.70 O ATOM 0 H GLU B 634 -2.175 6.803 -9.255 1.00 0.55 H new ATOM 0 HA GLU B 634 -0.700 4.645 -10.183 1.00 0.54 H new ATOM 0 HB2 GLU B 634 -0.270 6.506 -7.811 1.00 0.62 H new ATOM 0 HB3 GLU B 634 0.956 5.410 -8.418 1.00 0.62 H new ATOM 0 HG2 GLU B 634 1.344 7.652 -9.285 1.00 1.26 H new ATOM 0 HG3 GLU B 634 0.940 6.567 -10.601 1.00 1.26 H new ATOM 1517 N VAL B 635 -1.885 4.217 -7.130 1.00 0.33 N ATOM 1518 CA VAL B 635 -2.175 3.215 -6.108 1.00 0.28 C ATOM 1519 C VAL B 635 -3.002 2.074 -6.687 1.00 0.27 C ATOM 1520 O VAL B 635 -2.613 0.911 -6.595 1.00 0.28 O ATOM 1521 CB VAL B 635 -2.917 3.825 -4.898 1.00 0.28 C ATOM 1522 CG1 VAL B 635 -3.230 2.759 -3.856 1.00 0.32 C ATOM 1523 CG2 VAL B 635 -2.096 4.940 -4.278 1.00 0.35 C ATOM 0 H VAL B 635 -2.242 5.149 -6.918 1.00 0.33 H new ATOM 0 HA VAL B 635 -1.216 2.829 -5.763 1.00 0.28 H new ATOM 0 HB VAL B 635 -3.859 4.240 -5.255 1.00 0.28 H new ATOM 0 HG11 VAL B 635 -3.752 3.215 -3.015 1.00 0.32 H new ATOM 0 HG12 VAL B 635 -3.861 1.989 -4.301 1.00 0.32 H new ATOM 0 HG13 VAL B 635 -2.301 2.309 -3.506 1.00 0.32 H new ATOM 0 HG21 VAL B 635 -2.634 5.358 -3.427 1.00 0.35 H new ATOM 0 HG22 VAL B 635 -1.138 4.543 -3.942 1.00 0.35 H new ATOM 0 HG23 VAL B 635 -1.925 5.721 -5.019 1.00 0.35 H new ATOM 1533 N LEU B 636 -4.140 2.419 -7.283 1.00 0.29 N ATOM 1534 CA LEU B 636 -5.032 1.439 -7.901 1.00 0.33 C ATOM 1535 C LEU B 636 -4.271 0.482 -8.822 1.00 0.34 C ATOM 1536 O LEU B 636 -4.317 -0.743 -8.635 1.00 0.36 O ATOM 1537 CB LEU B 636 -6.132 2.164 -8.684 1.00 0.40 C ATOM 1538 CG LEU B 636 -7.010 3.097 -7.849 1.00 0.47 C ATOM 1539 CD1 LEU B 636 -7.968 3.866 -8.743 1.00 0.57 C ATOM 1540 CD2 LEU B 636 -7.786 2.310 -6.798 1.00 0.51 C ATOM 0 H LEU B 636 -4.470 3.382 -7.352 1.00 0.29 H new ATOM 0 HA LEU B 636 -5.480 0.842 -7.107 1.00 0.33 H new ATOM 0 HB2 LEU B 636 -5.668 2.744 -9.482 1.00 0.40 H new ATOM 0 HB3 LEU B 636 -6.769 1.419 -9.161 1.00 0.40 H new ATOM 0 HG LEU B 636 -6.361 3.808 -7.338 1.00 0.47 H new ATOM 0 HD11 LEU B 636 -8.585 4.525 -8.133 1.00 0.57 H new ATOM 0 HD12 LEU B 636 -7.400 4.460 -9.459 1.00 0.57 H new ATOM 0 HD13 LEU B 636 -8.607 3.165 -9.280 1.00 0.57 H new ATOM 0 HD21 LEU B 636 -8.404 2.993 -6.215 1.00 0.51 H new ATOM 0 HD22 LEU B 636 -8.423 1.575 -7.290 1.00 0.51 H new ATOM 0 HD23 LEU B 636 -7.087 1.799 -6.136 1.00 0.51 H new ATOM 1552 N ASP B 637 -3.554 1.038 -9.798 1.00 0.36 N ATOM 1553 CA ASP B 637 -2.770 0.243 -10.740 1.00 0.41 C ATOM 1554 C ASP B 637 -1.810 -0.680 -10.004 1.00 0.37 C ATOM 1555 O ASP B 637 -1.756 -1.883 -10.266 1.00 0.40 O ATOM 1556 CB ASP B 637 -1.984 1.189 -11.663 1.00 0.49 C ATOM 1557 CG ASP B 637 -1.023 0.484 -12.608 1.00 1.37 C ATOM 1558 OD1 ASP B 637 0.114 0.177 -12.190 1.00 2.30 O ATOM 1559 OD2 ASP B 637 -1.382 0.283 -13.788 1.00 1.43 O ATOM 0 H ASP B 637 -3.501 2.044 -9.957 1.00 0.36 H new ATOM 0 HA ASP B 637 -3.447 -0.375 -11.330 1.00 0.41 H new ATOM 0 HB2 ASP B 637 -2.691 1.774 -12.252 1.00 0.49 H new ATOM 0 HB3 ASP B 637 -1.421 1.892 -11.049 1.00 0.49 H new ATOM 1564 N LEU B 638 -1.091 -0.111 -9.049 1.00 0.32 N ATOM 1565 CA LEU B 638 -0.042 -0.830 -8.353 1.00 0.31 C ATOM 1566 C LEU B 638 -0.584 -1.994 -7.527 1.00 0.32 C ATOM 1567 O LEU B 638 0.009 -3.070 -7.500 1.00 0.38 O ATOM 1568 CB LEU B 638 0.741 0.117 -7.456 1.00 0.29 C ATOM 1569 CG LEU B 638 1.918 -0.533 -6.751 1.00 0.31 C ATOM 1570 CD1 LEU B 638 2.827 -1.196 -7.767 1.00 0.35 C ATOM 1571 CD2 LEU B 638 2.686 0.489 -5.952 1.00 0.33 C ATOM 0 H LEU B 638 -1.218 0.852 -8.739 1.00 0.32 H new ATOM 0 HA LEU B 638 0.618 -1.247 -9.114 1.00 0.31 H new ATOM 0 HB2 LEU B 638 1.105 0.951 -8.056 1.00 0.29 H new ATOM 0 HB3 LEU B 638 0.067 0.533 -6.707 1.00 0.29 H new ATOM 0 HG LEU B 638 1.540 -1.291 -6.065 1.00 0.31 H new ATOM 0 HD11 LEU B 638 3.669 -1.660 -7.254 1.00 0.35 H new ATOM 0 HD12 LEU B 638 2.269 -1.958 -8.312 1.00 0.35 H new ATOM 0 HD13 LEU B 638 3.197 -0.447 -8.467 1.00 0.35 H new ATOM 0 HD21 LEU B 638 3.526 0.005 -5.454 1.00 0.33 H new ATOM 0 HD22 LEU B 638 3.059 1.267 -6.619 1.00 0.33 H new ATOM 0 HD23 LEU B 638 2.029 0.935 -5.205 1.00 0.33 H new ATOM 1583 N LEU B 639 -1.705 -1.783 -6.856 1.00 0.29 N ATOM 1584 CA LEU B 639 -2.272 -2.825 -6.008 1.00 0.30 C ATOM 1585 C LEU B 639 -2.712 -4.011 -6.855 1.00 0.33 C ATOM 1586 O LEU B 639 -2.760 -5.146 -6.382 1.00 0.33 O ATOM 1587 CB LEU B 639 -3.469 -2.303 -5.210 1.00 0.30 C ATOM 1588 CG LEU B 639 -3.218 -1.044 -4.377 1.00 0.28 C ATOM 1589 CD1 LEU B 639 -4.478 -0.653 -3.614 1.00 0.31 C ATOM 1590 CD2 LEU B 639 -2.055 -1.251 -3.422 1.00 0.31 C ATOM 0 H LEU B 639 -2.236 -0.913 -6.879 1.00 0.29 H new ATOM 0 HA LEU B 639 -1.497 -3.139 -5.308 1.00 0.30 H new ATOM 0 HB2 LEU B 639 -4.284 -2.099 -5.905 1.00 0.30 H new ATOM 0 HB3 LEU B 639 -3.810 -3.095 -4.543 1.00 0.30 H new ATOM 0 HG LEU B 639 -2.957 -0.231 -5.054 1.00 0.28 H new ATOM 0 HD11 LEU B 639 -4.284 0.244 -3.026 1.00 0.31 H new ATOM 0 HD12 LEU B 639 -5.285 -0.457 -4.320 1.00 0.31 H new ATOM 0 HD13 LEU B 639 -4.768 -1.467 -2.949 1.00 0.31 H new ATOM 0 HD21 LEU B 639 -1.895 -0.343 -2.841 1.00 0.31 H new ATOM 0 HD22 LEU B 639 -2.280 -2.078 -2.749 1.00 0.31 H new ATOM 0 HD23 LEU B 639 -1.154 -1.481 -3.991 1.00 0.31 H new ATOM 1602 N SER B 640 -3.058 -3.732 -8.104 1.00 0.38 N ATOM 1603 CA SER B 640 -3.500 -4.771 -9.016 1.00 0.44 C ATOM 1604 C SER B 640 -2.339 -5.500 -9.698 1.00 0.50 C ATOM 1605 O SER B 640 -2.499 -6.649 -10.090 1.00 0.57 O ATOM 1606 CB SER B 640 -4.428 -4.172 -10.066 1.00 0.53 C ATOM 1607 OG SER B 640 -4.962 -5.174 -10.914 1.00 1.17 O ATOM 0 H SER B 640 -3.040 -2.795 -8.506 1.00 0.38 H new ATOM 0 HA SER B 640 -4.033 -5.514 -8.422 1.00 0.44 H new ATOM 0 HB2 SER B 640 -5.241 -3.638 -9.574 1.00 0.53 H new ATOM 0 HB3 SER B 640 -3.882 -3.441 -10.662 1.00 0.53 H new ATOM 0 HG SER B 640 -5.554 -4.761 -11.576 1.00 1.17 H new ATOM 1613 N VAL B 641 -1.186 -4.854 -9.848 1.00 0.52 N ATOM 1614 CA VAL B 641 -0.073 -5.471 -10.583 1.00 0.57 C ATOM 1615 C VAL B 641 0.744 -6.435 -9.721 1.00 0.60 C ATOM 1616 O VAL B 641 1.618 -7.132 -10.229 1.00 0.68 O ATOM 1617 CB VAL B 641 0.875 -4.419 -11.210 1.00 0.55 C ATOM 1618 CG1 VAL B 641 0.129 -3.557 -12.216 1.00 0.57 C ATOM 1619 CG2 VAL B 641 1.517 -3.557 -10.135 1.00 0.49 C ATOM 0 H VAL B 641 -0.994 -3.922 -9.481 1.00 0.52 H new ATOM 0 HA VAL B 641 -0.545 -6.041 -11.383 1.00 0.57 H new ATOM 0 HB VAL B 641 1.669 -4.950 -11.735 1.00 0.55 H new ATOM 0 HG11 VAL B 641 0.813 -2.824 -12.645 1.00 0.57 H new ATOM 0 HG12 VAL B 641 -0.271 -4.188 -13.010 1.00 0.57 H new ATOM 0 HG13 VAL B 641 -0.690 -3.040 -11.716 1.00 0.57 H new ATOM 0 HG21 VAL B 641 2.178 -2.826 -10.601 1.00 0.49 H new ATOM 0 HG22 VAL B 641 0.741 -3.038 -9.573 1.00 0.49 H new ATOM 0 HG23 VAL B 641 2.093 -4.188 -9.459 1.00 0.49 H new ATOM 1629 N ILE B 642 0.457 -6.490 -8.429 1.00 0.57 N ATOM 1630 CA ILE B 642 1.190 -7.383 -7.539 1.00 0.62 C ATOM 1631 C ILE B 642 0.322 -8.542 -7.066 1.00 0.72 C ATOM 1632 O ILE B 642 -0.897 -8.456 -7.129 1.00 0.74 O ATOM 1633 CB ILE B 642 1.752 -6.650 -6.313 1.00 0.53 C ATOM 1634 CG1 ILE B 642 0.669 -5.809 -5.640 1.00 0.49 C ATOM 1635 CG2 ILE B 642 2.947 -5.793 -6.707 1.00 0.53 C ATOM 1636 CD1 ILE B 642 1.176 -5.038 -4.447 1.00 0.55 C ATOM 0 H ILE B 642 -0.269 -5.935 -7.976 1.00 0.57 H new ATOM 0 HA ILE B 642 2.022 -7.771 -8.127 1.00 0.62 H new ATOM 0 HB ILE B 642 2.091 -7.394 -5.592 1.00 0.53 H new ATOM 0 HG12 ILE B 642 0.255 -5.111 -6.367 1.00 0.49 H new ATOM 0 HG13 ILE B 642 -0.146 -6.461 -5.325 1.00 0.49 H new ATOM 0 HG21 ILE B 642 3.333 -5.280 -5.826 1.00 0.53 H new ATOM 0 HG22 ILE B 642 3.727 -6.428 -7.128 1.00 0.53 H new ATOM 0 HG23 ILE B 642 2.638 -5.057 -7.449 1.00 0.53 H new ATOM 0 HD11 ILE B 642 0.360 -4.461 -4.013 1.00 0.55 H new ATOM 0 HD12 ILE B 642 1.564 -5.733 -3.703 1.00 0.55 H new ATOM 0 HD13 ILE B 642 1.971 -4.362 -4.762 1.00 0.55 H new ATOM 1648 N PRO B 643 0.955 -9.649 -6.629 1.00 0.82 N ATOM 1649 CA PRO B 643 0.270 -10.850 -6.131 1.00 0.95 C ATOM 1650 C PRO B 643 -0.968 -10.578 -5.275 1.00 0.90 C ATOM 1651 O PRO B 643 -1.044 -9.588 -4.544 1.00 0.81 O ATOM 1652 CB PRO B 643 1.341 -11.506 -5.273 1.00 1.03 C ATOM 1653 CG PRO B 643 2.633 -11.149 -5.922 1.00 1.05 C ATOM 1654 CD PRO B 643 2.422 -9.836 -6.630 1.00 0.83 C ATOM 0 HA PRO B 643 -0.111 -11.446 -6.960 1.00 0.95 H new ATOM 0 HB2 PRO B 643 1.302 -11.141 -4.247 1.00 1.03 H new ATOM 0 HB3 PRO B 643 1.206 -12.587 -5.232 1.00 1.03 H new ATOM 0 HG2 PRO B 643 3.427 -11.064 -5.180 1.00 1.05 H new ATOM 0 HG3 PRO B 643 2.937 -11.923 -6.627 1.00 1.05 H new ATOM 0 HD2 PRO B 643 2.927 -9.020 -6.113 1.00 0.83 H new ATOM 0 HD3 PRO B 643 2.818 -9.864 -7.645 1.00 0.83 H new ATOM 1662 N LYS B 644 -1.927 -11.489 -5.388 1.00 1.06 N ATOM 1663 CA LYS B 644 -3.159 -11.455 -4.608 1.00 1.10 C ATOM 1664 C LYS B 644 -2.876 -11.309 -3.111 1.00 1.06 C ATOM 1665 O LYS B 644 -2.000 -11.974 -2.562 1.00 1.07 O ATOM 1666 CB LYS B 644 -3.975 -12.733 -4.854 1.00 1.25 C ATOM 1667 CG LYS B 644 -4.433 -12.912 -6.295 1.00 1.29 C ATOM 1668 CD LYS B 644 -5.021 -14.300 -6.526 1.00 1.65 C ATOM 1669 CE LYS B 644 -6.458 -14.412 -6.035 1.00 1.87 C ATOM 1670 NZ LYS B 644 -7.432 -13.841 -7.004 1.00 2.25 N ATOM 0 H LYS B 644 -1.871 -12.280 -6.030 1.00 1.06 H new ATOM 0 HA LYS B 644 -3.730 -10.585 -4.932 1.00 1.10 H new ATOM 0 HB2 LYS B 644 -3.374 -13.596 -4.565 1.00 1.25 H new ATOM 0 HB3 LYS B 644 -4.850 -12.723 -4.205 1.00 1.25 H new ATOM 0 HG2 LYS B 644 -5.179 -12.155 -6.538 1.00 1.29 H new ATOM 0 HG3 LYS B 644 -3.590 -12.756 -6.968 1.00 1.29 H new ATOM 0 HD2 LYS B 644 -4.984 -14.534 -7.590 1.00 1.65 H new ATOM 0 HD3 LYS B 644 -4.407 -15.041 -6.015 1.00 1.65 H new ATOM 0 HE2 LYS B 644 -6.698 -15.460 -5.857 1.00 1.87 H new ATOM 0 HE3 LYS B 644 -6.554 -13.896 -5.080 1.00 1.87 H new ATOM 0 HZ1 LYS B 644 -8.396 -13.940 -6.626 1.00 2.25 H new ATOM 0 HZ2 LYS B 644 -7.221 -12.834 -7.155 1.00 2.25 H new ATOM 0 HZ3 LYS B 644 -7.361 -14.349 -7.908 1.00 2.25 H new ATOM 1684 N ARG B 645 -3.658 -10.436 -2.477 1.00 1.06 N ATOM 1685 CA ARG B 645 -3.565 -10.120 -1.041 1.00 1.06 C ATOM 1686 C ARG B 645 -3.651 -11.358 -0.131 1.00 1.05 C ATOM 1687 O ARG B 645 -3.443 -11.259 1.077 1.00 1.08 O ATOM 1688 CB ARG B 645 -4.683 -9.134 -0.679 1.00 1.16 C ATOM 1689 CG ARG B 645 -6.067 -9.620 -1.085 1.00 1.55 C ATOM 1690 CD ARG B 645 -7.128 -8.539 -0.919 1.00 1.72 C ATOM 1691 NE ARG B 645 -7.283 -8.114 0.470 1.00 2.35 N ATOM 1692 CZ ARG B 645 -7.607 -6.873 0.832 1.00 2.89 C ATOM 1693 NH1 ARG B 645 -7.861 -5.954 -0.093 1.00 2.92 N ATOM 1694 NH2 ARG B 645 -7.694 -6.553 2.116 1.00 3.87 N ATOM 0 H ARG B 645 -4.393 -9.913 -2.953 1.00 1.06 H new ATOM 0 HA ARG B 645 -2.581 -9.683 -0.870 1.00 1.06 H new ATOM 0 HB2 ARG B 645 -4.668 -8.957 0.396 1.00 1.16 H new ATOM 0 HB3 ARG B 645 -4.485 -8.177 -1.162 1.00 1.16 H new ATOM 0 HG2 ARG B 645 -6.045 -9.948 -2.124 1.00 1.55 H new ATOM 0 HG3 ARG B 645 -6.337 -10.487 -0.482 1.00 1.55 H new ATOM 0 HD2 ARG B 645 -6.863 -7.677 -1.531 1.00 1.72 H new ATOM 0 HD3 ARG B 645 -8.083 -8.912 -1.290 1.00 1.72 H new ATOM 0 HE ARG B 645 -7.135 -8.806 1.204 1.00 2.35 H new ATOM 0 HH11 ARG B 645 -7.808 -6.198 -1.082 1.00 2.92 H new ATOM 0 HH12 ARG B 645 -8.109 -5.005 0.186 1.00 2.92 H new ATOM 0 HH21 ARG B 645 -7.513 -7.258 2.831 1.00 3.87 H new ATOM 0 HH22 ARG B 645 -7.942 -5.602 2.389 1.00 3.87 H new ATOM 1708 N GLN B 646 -3.953 -12.508 -0.712 1.00 1.11 N ATOM 1709 CA GLN B 646 -4.099 -13.749 0.050 1.00 1.17 C ATOM 1710 C GLN B 646 -2.764 -14.492 0.148 1.00 1.20 C ATOM 1711 O GLN B 646 -2.520 -15.240 1.097 1.00 1.26 O ATOM 1712 CB GLN B 646 -5.149 -14.650 -0.608 1.00 1.26 C ATOM 1713 CG GLN B 646 -4.826 -15.002 -2.054 1.00 1.46 C ATOM 1714 CD GLN B 646 -5.894 -15.847 -2.722 1.00 1.99 C ATOM 1715 OE1 GLN B 646 -7.142 -15.666 -2.322 1.00 2.61 O flip ATOM 1716 NE2 GLN B 646 -5.600 -16.655 -3.599 1.00 2.10 N flip ATOM 0 H GLN B 646 -4.104 -12.613 -1.715 1.00 1.11 H new ATOM 0 HA GLN B 646 -4.425 -13.492 1.058 1.00 1.17 H new ATOM 0 HB2 GLN B 646 -5.241 -15.570 -0.030 1.00 1.26 H new ATOM 0 HB3 GLN B 646 -6.118 -14.152 -0.571 1.00 1.26 H new ATOM 0 HG2 GLN B 646 -4.693 -14.082 -2.623 1.00 1.46 H new ATOM 0 HG3 GLN B 646 -3.877 -15.537 -2.086 1.00 1.46 H new ATOM 0 HE21 GLN B 646 -4.627 -16.768 -3.883 1.00 2.10 H new ATOM 0 HE22 GLN B 646 -6.329 -17.213 -4.044 1.00 2.10 H new ATOM 1725 N TYR B 647 -1.914 -14.269 -0.853 1.00 1.25 N ATOM 1726 CA TYR B 647 -0.592 -14.897 -0.921 1.00 1.33 C ATOM 1727 C TYR B 647 0.345 -14.383 0.171 1.00 1.38 C ATOM 1728 O TYR B 647 1.519 -14.756 0.215 1.00 1.55 O ATOM 1729 CB TYR B 647 0.056 -14.649 -2.287 1.00 1.39 C ATOM 1730 CG TYR B 647 -0.644 -15.312 -3.450 1.00 1.46 C ATOM 1731 CD1 TYR B 647 -0.992 -16.655 -3.407 1.00 1.56 C ATOM 1732 CD2 TYR B 647 -0.950 -14.593 -4.596 1.00 1.52 C ATOM 1733 CE1 TYR B 647 -1.628 -17.261 -4.474 1.00 1.70 C ATOM 1734 CE2 TYR B 647 -1.583 -15.192 -5.667 1.00 1.64 C ATOM 1735 CZ TYR B 647 -1.919 -16.526 -5.601 1.00 1.74 C ATOM 1736 OH TYR B 647 -2.548 -17.124 -6.670 1.00 1.90 O ATOM 0 H TYR B 647 -2.119 -13.651 -1.638 1.00 1.25 H new ATOM 0 HA TYR B 647 -0.746 -15.965 -0.771 1.00 1.33 H new ATOM 0 HB2 TYR B 647 0.091 -13.575 -2.467 1.00 1.39 H new ATOM 0 HB3 TYR B 647 1.087 -15.001 -2.253 1.00 1.39 H new ATOM 0 HD1 TYR B 647 -0.762 -17.236 -2.526 1.00 1.56 H new ATOM 0 HD2 TYR B 647 -0.689 -13.547 -4.652 1.00 1.52 H new ATOM 0 HE1 TYR B 647 -1.895 -18.306 -4.424 1.00 1.70 H new ATOM 0 HE2 TYR B 647 -1.813 -14.617 -6.552 1.00 1.64 H new ATOM 0 HH TYR B 647 -2.893 -16.434 -7.275 1.00 1.90 H new ATOM 1808 N LEU B 652 4.266 -9.272 7.737 1.00 1.24 N ATOM 1809 CA LEU B 652 3.535 -8.056 7.378 1.00 0.65 C ATOM 1810 C LEU B 652 4.094 -6.838 8.111 1.00 0.61 C ATOM 1811 O LEU B 652 5.157 -6.904 8.732 1.00 1.04 O ATOM 1812 CB LEU B 652 2.038 -8.233 7.678 1.00 1.15 C ATOM 1813 CG LEU B 652 1.368 -9.419 6.976 1.00 1.20 C ATOM 1814 CD1 LEU B 652 -0.085 -9.539 7.416 1.00 2.09 C ATOM 1815 CD2 LEU B 652 1.467 -9.271 5.462 1.00 1.12 C ATOM 0 HA LEU B 652 3.661 -7.883 6.309 1.00 0.65 H new ATOM 0 HB2 LEU B 652 1.911 -8.349 8.754 1.00 1.15 H new ATOM 0 HB3 LEU B 652 1.516 -7.320 7.392 1.00 1.15 H new ATOM 0 HG LEU B 652 1.889 -10.333 7.260 1.00 1.20 H new ATOM 0 HD11 LEU B 652 -0.550 -10.385 6.910 1.00 2.09 H new ATOM 0 HD12 LEU B 652 -0.127 -9.693 8.494 1.00 2.09 H new ATOM 0 HD13 LEU B 652 -0.620 -8.625 7.159 1.00 2.09 H new ATOM 0 HD21 LEU B 652 0.986 -10.123 4.981 1.00 1.12 H new ATOM 0 HD22 LEU B 652 0.970 -8.351 5.153 1.00 1.12 H new ATOM 0 HD23 LEU B 652 2.516 -9.233 5.168 1.00 1.12 H new ATOM 1827 N LEU B 653 3.390 -5.721 8.011 1.00 0.41 N ATOM 1828 CA LEU B 653 3.827 -4.482 8.633 1.00 0.31 C ATOM 1829 C LEU B 653 2.645 -3.770 9.271 1.00 0.30 C ATOM 1830 O LEU B 653 1.653 -3.488 8.594 1.00 0.56 O ATOM 1831 CB LEU B 653 4.455 -3.546 7.596 1.00 0.32 C ATOM 1832 CG LEU B 653 5.647 -4.094 6.816 1.00 0.37 C ATOM 1833 CD1 LEU B 653 6.048 -3.091 5.746 1.00 0.44 C ATOM 1834 CD2 LEU B 653 6.814 -4.389 7.753 1.00 0.36 C ATOM 0 H LEU B 653 2.509 -5.648 7.502 1.00 0.41 H new ATOM 0 HA LEU B 653 4.567 -4.734 9.392 1.00 0.31 H new ATOM 0 HB2 LEU B 653 3.682 -3.261 6.882 1.00 0.32 H new ATOM 0 HB3 LEU B 653 4.770 -2.635 8.105 1.00 0.32 H new ATOM 0 HG LEU B 653 5.365 -5.032 6.337 1.00 0.37 H new ATOM 0 HD11 LEU B 653 6.899 -3.478 5.186 1.00 0.44 H new ATOM 0 HD12 LEU B 653 5.211 -2.929 5.067 1.00 0.44 H new ATOM 0 HD13 LEU B 653 6.322 -2.147 6.217 1.00 0.44 H new ATOM 0 HD21 LEU B 653 7.653 -4.779 7.177 1.00 0.36 H new ATOM 0 HD22 LEU B 653 7.116 -3.472 8.259 1.00 0.36 H new ATOM 0 HD23 LEU B 653 6.508 -5.128 8.494 1.00 0.36 H new ATOM 1846 N ASP B 654 2.738 -3.525 10.574 1.00 0.31 N ATOM 1847 CA ASP B 654 1.788 -2.658 11.275 1.00 0.28 C ATOM 1848 C ASP B 654 1.676 -1.319 10.567 1.00 0.23 C ATOM 1849 O ASP B 654 2.574 -0.474 10.653 1.00 0.29 O ATOM 1850 CB ASP B 654 2.239 -2.394 12.712 1.00 0.38 C ATOM 1851 CG ASP B 654 1.961 -3.521 13.684 1.00 1.10 C ATOM 1852 OD1 ASP B 654 2.578 -4.596 13.521 1.00 1.46 O ATOM 1853 OD2 ASP B 654 1.094 -3.359 14.567 1.00 1.84 O ATOM 0 H ASP B 654 3.466 -3.916 11.172 1.00 0.31 H new ATOM 0 HA ASP B 654 0.826 -3.170 11.280 1.00 0.28 H new ATOM 0 HB2 ASP B 654 3.310 -2.191 12.710 1.00 0.38 H new ATOM 0 HB3 ASP B 654 1.745 -1.492 13.073 1.00 0.38 H new ATOM 1858 N ALA B 655 0.572 -1.138 9.865 1.00 0.22 N ATOM 1859 CA ALA B 655 0.317 0.059 9.086 1.00 0.24 C ATOM 1860 C ALA B 655 0.383 1.322 9.917 1.00 0.22 C ATOM 1861 O ALA B 655 0.965 2.308 9.488 1.00 0.28 O ATOM 1862 CB ALA B 655 -1.042 -0.042 8.468 1.00 0.30 C ATOM 0 H ALA B 655 -0.180 -1.825 9.820 1.00 0.22 H new ATOM 0 HA ALA B 655 1.095 0.125 8.326 1.00 0.24 H new ATOM 0 HB1 ALA B 655 -1.242 0.854 7.880 1.00 0.30 H new ATOM 0 HB2 ALA B 655 -1.083 -0.918 7.820 1.00 0.30 H new ATOM 0 HB3 ALA B 655 -1.793 -0.136 9.253 1.00 0.30 H new ATOM 1868 N GLN B 656 -0.225 1.299 11.097 1.00 0.20 N ATOM 1869 CA GLN B 656 -0.247 2.479 11.952 1.00 0.22 C ATOM 1870 C GLN B 656 1.167 2.947 12.247 1.00 0.23 C ATOM 1871 O GLN B 656 1.441 4.143 12.280 1.00 0.31 O ATOM 1872 CB GLN B 656 -1.002 2.198 13.250 1.00 0.25 C ATOM 1873 CG GLN B 656 -2.489 1.976 13.033 1.00 0.35 C ATOM 1874 CD GLN B 656 -3.211 1.520 14.284 1.00 0.89 C ATOM 1875 OE1 GLN B 656 -2.831 1.873 15.400 1.00 1.67 O ATOM 1876 NE2 GLN B 656 -4.241 0.712 14.106 1.00 1.66 N ATOM 0 H GLN B 656 -0.705 0.485 11.481 1.00 0.20 H new ATOM 0 HA GLN B 656 -0.771 3.274 11.422 1.00 0.22 H new ATOM 0 HB2 GLN B 656 -0.575 1.317 13.730 1.00 0.25 H new ATOM 0 HB3 GLN B 656 -0.861 3.034 13.935 1.00 0.25 H new ATOM 0 HG2 GLN B 656 -2.940 2.902 12.678 1.00 0.35 H new ATOM 0 HG3 GLN B 656 -2.628 1.232 12.249 1.00 0.35 H new ATOM 0 HE21 GLN B 656 -4.522 0.445 13.163 1.00 1.66 H new ATOM 0 HE22 GLN B 656 -4.755 0.356 14.912 1.00 1.66 H new ATOM 1885 N LYS B 657 2.074 1.999 12.417 1.00 0.21 N ATOM 1886 CA LYS B 657 3.465 2.334 12.665 1.00 0.26 C ATOM 1887 C LYS B 657 4.071 2.908 11.391 1.00 0.23 C ATOM 1888 O LYS B 657 4.699 3.959 11.414 1.00 0.26 O ATOM 1889 CB LYS B 657 4.257 1.103 13.114 1.00 0.36 C ATOM 1890 CG LYS B 657 3.524 0.213 14.111 1.00 0.44 C ATOM 1891 CD LYS B 657 3.024 0.978 15.326 1.00 0.79 C ATOM 1892 CE LYS B 657 2.616 0.035 16.456 1.00 1.31 C ATOM 1893 NZ LYS B 657 1.436 -0.802 16.101 1.00 1.90 N ATOM 0 H LYS B 657 1.874 0.999 12.388 1.00 0.21 H new ATOM 0 HA LYS B 657 3.513 3.072 13.466 1.00 0.26 H new ATOM 0 HB2 LYS B 657 4.513 0.510 12.236 1.00 0.36 H new ATOM 0 HB3 LYS B 657 5.195 1.432 13.561 1.00 0.36 H new ATOM 0 HG2 LYS B 657 2.679 -0.263 13.614 1.00 0.44 H new ATOM 0 HG3 LYS B 657 4.191 -0.584 14.438 1.00 0.44 H new ATOM 0 HD2 LYS B 657 3.804 1.653 15.678 1.00 0.79 H new ATOM 0 HD3 LYS B 657 2.172 1.596 15.042 1.00 0.79 H new ATOM 0 HE2 LYS B 657 3.456 -0.614 16.705 1.00 1.31 H new ATOM 0 HE3 LYS B 657 2.389 0.619 17.348 1.00 1.31 H new ATOM 0 HZ1 LYS B 657 0.992 -1.163 16.970 1.00 1.90 H new ATOM 0 HZ2 LYS B 657 0.748 -0.227 15.574 1.00 1.90 H new ATOM 0 HZ3 LYS B 657 1.743 -1.602 15.511 1.00 1.90 H new ATOM 1907 N LEU B 658 3.837 2.213 10.280 1.00 0.25 N ATOM 1908 CA LEU B 658 4.342 2.616 8.967 1.00 0.24 C ATOM 1909 C LEU B 658 3.861 4.010 8.560 1.00 0.23 C ATOM 1910 O LEU B 658 4.601 4.776 7.950 1.00 0.24 O ATOM 1911 CB LEU B 658 3.919 1.583 7.914 1.00 0.25 C ATOM 1912 CG LEU B 658 4.271 1.934 6.463 1.00 0.25 C ATOM 1913 CD1 LEU B 658 5.767 2.173 6.314 1.00 0.27 C ATOM 1914 CD2 LEU B 658 3.817 0.833 5.517 1.00 0.27 C ATOM 0 H LEU B 658 3.290 1.352 10.264 1.00 0.25 H new ATOM 0 HA LEU B 658 5.429 2.659 9.031 1.00 0.24 H new ATOM 0 HB2 LEU B 658 4.383 0.628 8.161 1.00 0.25 H new ATOM 0 HB3 LEU B 658 2.841 1.441 7.983 1.00 0.25 H new ATOM 0 HG LEU B 658 3.746 2.853 6.202 1.00 0.25 H new ATOM 0 HD11 LEU B 658 5.994 2.420 5.277 1.00 0.27 H new ATOM 0 HD12 LEU B 658 6.070 2.998 6.959 1.00 0.27 H new ATOM 0 HD13 LEU B 658 6.310 1.272 6.599 1.00 0.27 H new ATOM 0 HD21 LEU B 658 4.077 1.103 4.493 1.00 0.27 H new ATOM 0 HD22 LEU B 658 4.311 -0.102 5.782 1.00 0.27 H new ATOM 0 HD23 LEU B 658 2.737 0.708 5.596 1.00 0.27 H new ATOM 1926 N VAL B 659 2.632 4.343 8.911 1.00 0.24 N ATOM 1927 CA VAL B 659 2.056 5.618 8.523 1.00 0.24 C ATOM 1928 C VAL B 659 2.703 6.750 9.300 1.00 0.24 C ATOM 1929 O VAL B 659 3.116 7.751 8.720 1.00 0.27 O ATOM 1930 CB VAL B 659 0.529 5.647 8.733 1.00 0.25 C ATOM 1931 CG1 VAL B 659 -0.012 7.058 8.569 1.00 0.30 C ATOM 1932 CG2 VAL B 659 -0.151 4.710 7.755 1.00 0.28 C ATOM 0 H VAL B 659 2.014 3.749 9.464 1.00 0.24 H new ATOM 0 HA VAL B 659 2.251 5.750 7.459 1.00 0.24 H new ATOM 0 HB VAL B 659 0.317 5.314 9.749 1.00 0.25 H new ATOM 0 HG11 VAL B 659 -1.091 7.054 8.722 1.00 0.30 H new ATOM 0 HG12 VAL B 659 0.456 7.715 9.303 1.00 0.30 H new ATOM 0 HG13 VAL B 659 0.211 7.419 7.565 1.00 0.30 H new ATOM 0 HG21 VAL B 659 -1.229 4.739 7.913 1.00 0.28 H new ATOM 0 HG22 VAL B 659 0.075 5.022 6.735 1.00 0.28 H new ATOM 0 HG23 VAL B 659 0.211 3.694 7.912 1.00 0.28 H new ATOM 1942 N ASN B 660 2.806 6.581 10.609 1.00 0.25 N ATOM 1943 CA ASN B 660 3.446 7.580 11.447 1.00 0.28 C ATOM 1944 C ASN B 660 4.942 7.619 11.152 1.00 0.26 C ATOM 1945 O ASN B 660 5.598 8.652 11.305 1.00 0.30 O ATOM 1946 CB ASN B 660 3.183 7.296 12.929 1.00 0.37 C ATOM 1947 CG ASN B 660 1.736 7.554 13.319 1.00 0.80 C ATOM 1948 OD1 ASN B 660 1.355 8.683 13.636 1.00 1.64 O ATOM 1949 ND2 ASN B 660 0.918 6.510 13.302 1.00 0.51 N ATOM 0 H ASN B 660 2.456 5.765 11.111 1.00 0.25 H new ATOM 0 HA ASN B 660 3.021 8.558 11.220 1.00 0.28 H new ATOM 0 HB2 ASN B 660 3.436 6.259 13.148 1.00 0.37 H new ATOM 0 HB3 ASN B 660 3.838 7.920 13.538 1.00 0.37 H new ATOM 0 HD21 ASN B 660 -0.063 6.626 13.557 1.00 0.51 H new ATOM 0 HD22 ASN B 660 1.270 5.591 13.034 1.00 0.51 H new ATOM 1956 N PHE B 661 5.469 6.483 10.716 1.00 0.24 N ATOM 1957 CA PHE B 661 6.855 6.379 10.279 1.00 0.26 C ATOM 1958 C PHE B 661 7.067 7.205 9.015 1.00 0.27 C ATOM 1959 O PHE B 661 7.931 8.072 8.968 1.00 0.30 O ATOM 1960 CB PHE B 661 7.200 4.905 10.028 1.00 0.29 C ATOM 1961 CG PHE B 661 8.634 4.631 9.674 1.00 0.30 C ATOM 1962 CD1 PHE B 661 9.654 5.026 10.523 1.00 0.37 C ATOM 1963 CD2 PHE B 661 8.962 3.996 8.490 1.00 0.30 C ATOM 1964 CE1 PHE B 661 10.977 4.796 10.193 1.00 0.41 C ATOM 1965 CE2 PHE B 661 10.283 3.759 8.155 1.00 0.34 C ATOM 1966 CZ PHE B 661 11.280 4.089 9.029 1.00 0.37 C ATOM 0 H PHE B 661 4.948 5.608 10.655 1.00 0.24 H new ATOM 0 HA PHE B 661 7.513 6.769 11.055 1.00 0.26 H new ATOM 0 HB2 PHE B 661 6.948 4.333 10.921 1.00 0.29 H new ATOM 0 HB3 PHE B 661 6.567 4.533 9.222 1.00 0.29 H new ATOM 0 HD1 PHE B 661 9.414 5.519 11.453 1.00 0.37 H new ATOM 0 HD2 PHE B 661 8.177 3.681 7.819 1.00 0.30 H new ATOM 0 HE1 PHE B 661 11.769 5.160 10.831 1.00 0.41 H new ATOM 0 HE2 PHE B 661 10.526 3.313 7.202 1.00 0.34 H new ATOM 0 HZ PHE B 661 12.300 3.803 8.819 1.00 0.37 H new ATOM 1976 N LEU B 662 6.235 6.956 8.011 1.00 0.27 N ATOM 1977 CA LEU B 662 6.325 7.642 6.727 1.00 0.28 C ATOM 1978 C LEU B 662 5.979 9.124 6.878 1.00 0.27 C ATOM 1979 O LEU B 662 6.486 9.967 6.146 1.00 0.29 O ATOM 1980 CB LEU B 662 5.372 6.971 5.726 1.00 0.29 C ATOM 1981 CG LEU B 662 5.340 7.560 4.311 1.00 0.31 C ATOM 1982 CD1 LEU B 662 6.690 7.423 3.635 1.00 0.38 C ATOM 1983 CD2 LEU B 662 4.257 6.881 3.486 1.00 0.31 C ATOM 0 H LEU B 662 5.479 6.273 8.063 1.00 0.27 H new ATOM 0 HA LEU B 662 7.348 7.572 6.358 1.00 0.28 H new ATOM 0 HB2 LEU B 662 5.643 5.918 5.651 1.00 0.29 H new ATOM 0 HB3 LEU B 662 4.363 7.012 6.136 1.00 0.29 H new ATOM 0 HG LEU B 662 5.110 8.623 4.386 1.00 0.31 H new ATOM 0 HD11 LEU B 662 6.640 7.849 2.633 1.00 0.38 H new ATOM 0 HD12 LEU B 662 7.444 7.953 4.217 1.00 0.38 H new ATOM 0 HD13 LEU B 662 6.958 6.369 3.568 1.00 0.38 H new ATOM 0 HD21 LEU B 662 4.243 7.307 2.483 1.00 0.31 H new ATOM 0 HD22 LEU B 662 4.463 5.813 3.424 1.00 0.31 H new ATOM 0 HD23 LEU B 662 3.288 7.036 3.960 1.00 0.31 H new ATOM 1995 N ASN B 663 5.091 9.426 7.817 1.00 0.29 N ATOM 1996 CA ASN B 663 4.659 10.803 8.056 1.00 0.36 C ATOM 1997 C ASN B 663 5.777 11.643 8.664 1.00 0.37 C ATOM 1998 O ASN B 663 6.248 12.605 8.062 1.00 0.43 O ATOM 1999 CB ASN B 663 3.456 10.818 9.005 1.00 0.56 C ATOM 2000 CG ASN B 663 2.663 12.112 8.935 1.00 1.05 C ATOM 2001 OD1 ASN B 663 3.182 13.157 8.548 1.00 1.93 O ATOM 2002 ND2 ASN B 663 1.403 12.056 9.336 1.00 1.07 N ATOM 0 H ASN B 663 4.653 8.736 8.428 1.00 0.29 H new ATOM 0 HA ASN B 663 4.385 11.232 7.092 1.00 0.36 H new ATOM 0 HB2 ASN B 663 2.799 9.982 8.764 1.00 0.56 H new ATOM 0 HB3 ASN B 663 3.804 10.666 10.027 1.00 0.56 H new ATOM 0 HD21 ASN B 663 0.828 12.899 9.330 1.00 1.07 H new ATOM 0 HD22 ASN B 663 1.007 11.170 9.651 1.00 1.07 H new ATOM 2009 N ASP B 664 6.212 11.253 9.850 1.00 0.38 N ATOM 2010 CA ASP B 664 7.112 12.078 10.644 1.00 0.43 C ATOM 2011 C ASP B 664 8.578 11.729 10.407 1.00 0.43 C ATOM 2012 O ASP B 664 9.446 12.600 10.443 1.00 0.56 O ATOM 2013 CB ASP B 664 6.765 11.904 12.126 1.00 0.50 C ATOM 2014 CG ASP B 664 7.696 12.659 13.050 1.00 0.56 C ATOM 2015 OD1 ASP B 664 7.407 13.833 13.368 1.00 0.62 O ATOM 2016 OD2 ASP B 664 8.704 12.069 13.487 1.00 0.64 O ATOM 0 H ASP B 664 5.957 10.368 10.287 1.00 0.38 H new ATOM 0 HA ASP B 664 6.979 13.116 10.339 1.00 0.43 H new ATOM 0 HB2 ASP B 664 5.743 12.243 12.295 1.00 0.50 H new ATOM 0 HB3 ASP B 664 6.795 10.844 12.377 1.00 0.50 H new ATOM 2021 N GLN B 665 8.853 10.465 10.136 1.00 0.33 N ATOM 2022 CA GLN B 665 10.224 9.976 10.143 1.00 0.34 C ATOM 2023 C GLN B 665 10.754 9.702 8.735 1.00 0.32 C ATOM 2024 O GLN B 665 11.941 9.424 8.563 1.00 0.46 O ATOM 2025 CB GLN B 665 10.300 8.710 10.996 1.00 0.40 C ATOM 2026 CG GLN B 665 9.814 8.917 12.424 1.00 0.53 C ATOM 2027 CD GLN B 665 9.601 7.615 13.172 1.00 1.29 C ATOM 2028 OE1 GLN B 665 8.394 7.082 13.081 1.00 1.58 O flip ATOM 2029 NE2 GLN B 665 10.497 7.102 13.836 1.00 2.26 N flip ATOM 0 H GLN B 665 8.151 9.761 9.909 1.00 0.33 H new ATOM 0 HA GLN B 665 10.857 10.755 10.569 1.00 0.34 H new ATOM 0 HB2 GLN B 665 9.704 7.927 10.526 1.00 0.40 H new ATOM 0 HB3 GLN B 665 11.331 8.356 11.018 1.00 0.40 H new ATOM 0 HG2 GLN B 665 10.539 9.525 12.964 1.00 0.53 H new ATOM 0 HG3 GLN B 665 8.879 9.477 12.406 1.00 0.53 H new ATOM 0 HE21 GLN B 665 11.415 7.544 13.881 1.00 2.26 H new ATOM 0 HE22 GLN B 665 10.323 6.234 14.342 1.00 2.26 H new ATOM 2038 N VAL B 666 9.889 9.775 7.729 1.00 0.27 N ATOM 2039 CA VAL B 666 10.306 9.500 6.359 1.00 0.25 C ATOM 2040 C VAL B 666 9.931 10.655 5.424 1.00 0.24 C ATOM 2041 O VAL B 666 8.916 11.326 5.612 1.00 0.27 O ATOM 2042 CB VAL B 666 9.693 8.176 5.821 1.00 0.27 C ATOM 2043 CG1 VAL B 666 10.160 7.890 4.401 1.00 0.33 C ATOM 2044 CG2 VAL B 666 10.035 6.998 6.724 1.00 0.31 C ATOM 0 H VAL B 666 8.904 10.020 7.834 1.00 0.27 H new ATOM 0 HA VAL B 666 11.391 9.394 6.378 1.00 0.25 H new ATOM 0 HB VAL B 666 8.611 8.305 5.814 1.00 0.27 H new ATOM 0 HG11 VAL B 666 9.715 6.958 4.052 1.00 0.33 H new ATOM 0 HG12 VAL B 666 9.854 8.706 3.746 1.00 0.33 H new ATOM 0 HG13 VAL B 666 11.246 7.801 4.386 1.00 0.33 H new ATOM 0 HG21 VAL B 666 9.591 6.088 6.319 1.00 0.31 H new ATOM 0 HG22 VAL B 666 11.118 6.882 6.776 1.00 0.31 H new ATOM 0 HG23 VAL B 666 9.641 7.180 7.724 1.00 0.31 H new ATOM 2054 N GLU B 667 10.764 10.864 4.419 1.00 0.27 N ATOM 2055 CA GLU B 667 10.521 11.851 3.386 1.00 0.34 C ATOM 2056 C GLU B 667 10.994 11.268 2.067 1.00 0.32 C ATOM 2057 O GLU B 667 12.142 10.840 1.946 1.00 0.33 O ATOM 2058 CB GLU B 667 11.229 13.178 3.687 1.00 0.44 C ATOM 2059 CG GLU B 667 10.658 13.907 4.897 1.00 0.60 C ATOM 2060 CD GLU B 667 11.187 15.320 5.046 1.00 1.04 C ATOM 2061 OE1 GLU B 667 12.425 15.494 5.085 1.00 1.72 O ATOM 2062 OE2 GLU B 667 10.378 16.261 5.119 1.00 1.26 O ATOM 0 H GLU B 667 11.635 10.348 4.298 1.00 0.27 H new ATOM 0 HA GLU B 667 9.456 12.077 3.341 1.00 0.34 H new ATOM 0 HB2 GLU B 667 12.289 12.986 3.854 1.00 0.44 H new ATOM 0 HB3 GLU B 667 11.156 13.826 2.814 1.00 0.44 H new ATOM 0 HG2 GLU B 667 9.572 13.939 4.815 1.00 0.60 H new ATOM 0 HG3 GLU B 667 10.893 13.341 5.798 1.00 0.60 H new ATOM 2069 N ILE B 668 10.094 11.203 1.104 1.00 0.34 N ATOM 2070 CA ILE B 668 10.367 10.527 -0.157 1.00 0.35 C ATOM 2071 C ILE B 668 11.412 11.280 -0.983 1.00 0.30 C ATOM 2072 O ILE B 668 11.329 12.498 -1.139 1.00 0.30 O ATOM 2073 CB ILE B 668 9.062 10.359 -0.968 1.00 0.45 C ATOM 2074 CG1 ILE B 668 7.995 9.699 -0.089 1.00 0.47 C ATOM 2075 CG2 ILE B 668 9.296 9.556 -2.243 1.00 0.51 C ATOM 2076 CD1 ILE B 668 8.361 8.316 0.399 1.00 0.46 C ATOM 0 H ILE B 668 9.162 11.612 1.169 1.00 0.34 H new ATOM 0 HA ILE B 668 10.772 9.542 0.074 1.00 0.35 H new ATOM 0 HB ILE B 668 8.712 11.345 -1.273 1.00 0.45 H new ATOM 0 HG12 ILE B 668 7.805 10.338 0.774 1.00 0.47 H new ATOM 0 HG13 ILE B 668 7.064 9.639 -0.652 1.00 0.47 H new ATOM 0 HG21 ILE B 668 8.357 9.457 -2.788 1.00 0.51 H new ATOM 0 HG22 ILE B 668 10.026 10.070 -2.868 1.00 0.51 H new ATOM 0 HG23 ILE B 668 9.672 8.566 -1.986 1.00 0.51 H new ATOM 0 HD11 ILE B 668 7.552 7.921 1.014 1.00 0.46 H new ATOM 0 HD12 ILE B 668 8.521 7.659 -0.456 1.00 0.46 H new ATOM 0 HD13 ILE B 668 9.274 8.369 0.992 1.00 0.46 H new ATOM 2088 N PRO B 669 12.411 10.558 -1.517 1.00 0.37 N ATOM 2089 CA PRO B 669 13.492 11.152 -2.310 1.00 0.43 C ATOM 2090 C PRO B 669 12.998 11.672 -3.657 1.00 0.52 C ATOM 2091 O PRO B 669 12.786 10.904 -4.595 1.00 0.71 O ATOM 2092 CB PRO B 669 14.461 9.987 -2.518 1.00 0.46 C ATOM 2093 CG PRO B 669 13.613 8.771 -2.420 1.00 0.79 C ATOM 2094 CD PRO B 669 12.565 9.097 -1.395 1.00 0.54 C ATOM 0 HA PRO B 669 13.938 12.013 -1.812 1.00 0.43 H new ATOM 0 HB2 PRO B 669 14.953 10.050 -3.488 1.00 0.46 H new ATOM 0 HB3 PRO B 669 15.246 9.985 -1.762 1.00 0.46 H new ATOM 0 HG2 PRO B 669 13.160 8.529 -3.382 1.00 0.79 H new ATOM 0 HG3 PRO B 669 14.202 7.905 -2.118 1.00 0.79 H new ATOM 0 HD2 PRO B 669 11.629 8.576 -1.597 1.00 0.54 H new ATOM 0 HD3 PRO B 669 12.880 8.808 -0.392 1.00 0.54 H new