USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=26 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 177 GLN : amide:sc= -0.309 K(o=-1.5,f=-2.8!) USER MOD Set 1.2: A 215 THR OG1 : rot 180:sc= 0.0399 USER MOD Set 1.3: A 216 ASN : amide:sc= -1.25 K(o=-1.5,f=-6.1!) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 143 GLN :FLIP amide:sc= -0.0605 F(o=-1.4!,f=-0.061) USER MOD Single : A 144 LYS NZ :NH3+ -178:sc= 0.941 (180deg=0.933) USER MOD Single : A 150 SER OG : rot 180:sc= 0.939 USER MOD Single : A 155 ASN : amide:sc= -0.303 K(o=-0.3,f=-5.1!) USER MOD Single : A 157 ASN : amide:sc= -1.68! C(o=-1.7!,f=-3.6!) USER MOD Single : A 158 MET CE :methyl 138:sc= -0.0632 (180deg=-0.479) USER MOD Single : A 159 THR OG1 : rot -153:sc= 1.25 USER MOD Single : A 160 THR OG1 : rot 180:sc= 0.00408 USER MOD Single : A 163 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 164 MET CE :methyl -162:sc= -0.0789 (180deg=-0.495) USER MOD Single : A 166 SER OG : rot -88:sc= 1.26 USER MOD Single : A 167 SER OG : rot 180:sc= 0 USER MOD Single : A 171 LYS NZ :NH3+ -151:sc= 0.49 (180deg=-1.46!) USER MOD Single : A 172 LYS NZ :NH3+ -178:sc= 1.16 (180deg=1.06) USER MOD Single : A 174 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 179 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 GLN : amide:sc= -0.789 X(o=-0.79,f=-1.2) USER MOD Single : A 183 LYS NZ :NH3+ -162:sc= 1.16 (180deg=0.93) USER MOD Single : A 185 GLN : amide:sc= -0.103 K(o=-0.1,f=-2.7) USER MOD Single : A 188 THR OG1 : rot -23:sc= 1.23 USER MOD Single : A 191 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.1) USER MOD Single : A 197 SER OG : rot 62:sc= 1.26 USER MOD Single : A 202 CYS SG : rot 180:sc= -0.845 USER MOD Single : A 204 GLN : amide:sc= -3.95! C(o=-3.9!,f=-12!) USER MOD Single : A 206 SER OG : rot -111:sc= -0.935 USER MOD Single : A 209 THR OG1 : rot 75:sc= 0.729 USER MOD Single : A 219 CYS SG : rot -125:sc= 0.134 USER MOD Single : A 220 LYS NZ :NH3+ 162:sc= 0.754 (180deg=-0.233!) USER MOD Single : B 633 THR OG1 : rot 180:sc= 0 USER MOD Single : B 640 SER OG : rot 12:sc= 1.2 USER MOD Single : B 644 LYS NZ :NH3+ -169:sc= 1.28 (180deg=0.861) USER MOD Single : B 646 GLN : amide:sc= -1.86! C(o=-1.9!,f=-4.7!) USER MOD Single : B 647 TYR OH : rot -122:sc= 0.0497 USER MOD Single : B 656 GLN : amide:sc= 1.13 K(o=1.1,f=-1.2) USER MOD Single : B 657 LYS NZ :NH3+ 169:sc=-0.00551 (180deg=-0.165) USER MOD Single : B 660 ASN : amide:sc= 1.14 K(o=1.1,f=-0.11) USER MOD Single : B 663 ASN : amide:sc= -3.08 K(o=-3.1,f=-6.1!) USER MOD Single : B 665 GLN : amide:sc= 0.704 K(o=0.7,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 141 -14.715 1.139 3.600 1.00 0.92 N ATOM 45 CA LEU A 141 -13.917 0.946 2.396 1.00 0.75 C ATOM 46 C LEU A 141 -14.783 0.765 1.163 1.00 0.70 C ATOM 47 O LEU A 141 -14.266 0.668 0.057 1.00 0.64 O ATOM 48 CB LEU A 141 -12.976 -0.244 2.533 1.00 0.82 C ATOM 49 CG LEU A 141 -11.864 -0.095 3.569 1.00 0.94 C ATOM 50 CD1 LEU A 141 -10.930 -1.284 3.488 1.00 1.05 C ATOM 51 CD2 LEU A 141 -11.090 1.195 3.351 1.00 0.88 C ATOM 0 HA LEU A 141 -13.326 1.853 2.274 1.00 0.75 H new ATOM 0 HB2 LEU A 141 -13.568 -1.124 2.786 1.00 0.82 H new ATOM 0 HB3 LEU A 141 -12.519 -0.436 1.562 1.00 0.82 H new ATOM 0 HG LEU A 141 -12.315 -0.056 4.561 1.00 0.94 H new ATOM 0 HD11 LEU A 141 -10.137 -1.175 4.228 1.00 1.05 H new ATOM 0 HD12 LEU A 141 -11.488 -2.199 3.686 1.00 1.05 H new ATOM 0 HD13 LEU A 141 -10.491 -1.335 2.492 1.00 1.05 H new ATOM 0 HD21 LEU A 141 -10.304 1.279 4.101 1.00 0.88 H new ATOM 0 HD22 LEU A 141 -10.644 1.188 2.357 1.00 0.88 H new ATOM 0 HD23 LEU A 141 -11.767 2.045 3.439 1.00 0.88 H new ATOM 63 N SER A 142 -16.079 0.612 1.365 1.00 0.90 N ATOM 64 CA SER A 142 -17.007 0.490 0.251 1.00 0.97 C ATOM 65 C SER A 142 -17.443 1.859 -0.286 1.00 0.95 C ATOM 66 O SER A 142 -17.520 2.053 -1.497 1.00 1.05 O ATOM 67 CB SER A 142 -18.233 -0.322 0.664 1.00 1.21 C ATOM 68 OG SER A 142 -19.091 -0.538 -0.440 1.00 1.82 O ATOM 0 H SER A 142 -16.514 0.569 2.287 1.00 0.90 H new ATOM 0 HA SER A 142 -16.482 -0.030 -0.551 1.00 0.97 H new ATOM 0 HB2 SER A 142 -17.917 -1.280 1.077 1.00 1.21 H new ATOM 0 HB3 SER A 142 -18.773 0.203 1.452 1.00 1.21 H new ATOM 0 HG SER A 142 -19.868 -1.061 -0.153 1.00 1.82 H new ATOM 74 N GLN A 143 -17.769 2.790 0.610 1.00 0.98 N ATOM 75 CA GLN A 143 -18.293 4.089 0.183 1.00 1.10 C ATOM 76 C GLN A 143 -17.216 5.174 0.142 1.00 0.95 C ATOM 77 O GLN A 143 -17.183 5.986 -0.781 1.00 1.02 O ATOM 78 CB GLN A 143 -19.460 4.540 1.074 1.00 1.41 C ATOM 79 CG GLN A 143 -19.129 4.614 2.558 1.00 1.32 C ATOM 80 CD GLN A 143 -20.235 5.266 3.373 1.00 1.79 C ATOM 81 OE1 GLN A 143 -20.937 6.217 2.773 1.00 2.41 O flip ATOM 82 NE2 GLN A 143 -20.448 4.929 4.537 1.00 2.29 N flip ATOM 0 H GLN A 143 -17.682 2.674 1.620 1.00 0.98 H new ATOM 0 HA GLN A 143 -18.657 3.949 -0.835 1.00 1.10 H new ATOM 0 HB2 GLN A 143 -19.797 5.521 0.740 1.00 1.41 H new ATOM 0 HB3 GLN A 143 -20.294 3.852 0.934 1.00 1.41 H new ATOM 0 HG2 GLN A 143 -18.949 3.608 2.937 1.00 1.32 H new ATOM 0 HG3 GLN A 143 -18.205 5.176 2.693 1.00 1.32 H new ATOM 0 HE21 GLN A 143 -19.887 4.193 4.966 1.00 2.29 H new ATOM 0 HE22 GLN A 143 -21.186 5.386 5.073 1.00 2.29 H new ATOM 91 N LYS A 144 -16.351 5.199 1.147 1.00 0.84 N ATOM 92 CA LYS A 144 -15.342 6.248 1.255 1.00 0.83 C ATOM 93 C LYS A 144 -14.111 5.879 0.436 1.00 0.74 C ATOM 94 O LYS A 144 -13.407 6.740 -0.090 1.00 0.88 O ATOM 95 CB LYS A 144 -14.998 6.476 2.728 1.00 1.00 C ATOM 96 CG LYS A 144 -13.888 7.479 2.969 1.00 1.12 C ATOM 97 CD LYS A 144 -13.908 7.959 4.408 1.00 1.33 C ATOM 98 CE LYS A 144 -12.560 8.495 4.848 1.00 1.39 C ATOM 99 NZ LYS A 144 -12.055 9.567 3.953 1.00 1.56 N ATOM 0 H LYS A 144 -16.326 4.508 1.897 1.00 0.84 H new ATOM 0 HA LYS A 144 -15.734 7.181 0.851 1.00 0.83 H new ATOM 0 HB2 LYS A 144 -15.894 6.814 3.249 1.00 1.00 H new ATOM 0 HB3 LYS A 144 -14.711 5.523 3.172 1.00 1.00 H new ATOM 0 HG2 LYS A 144 -12.923 7.023 2.745 1.00 1.12 H new ATOM 0 HG3 LYS A 144 -14.004 8.328 2.295 1.00 1.12 H new ATOM 0 HD2 LYS A 144 -14.662 8.738 4.519 1.00 1.33 H new ATOM 0 HD3 LYS A 144 -14.201 7.136 5.060 1.00 1.33 H new ATOM 0 HE2 LYS A 144 -12.640 8.882 5.864 1.00 1.39 H new ATOM 0 HE3 LYS A 144 -11.839 7.678 4.874 1.00 1.39 H new ATOM 0 HZ1 LYS A 144 -11.116 9.876 4.277 1.00 1.56 H new ATOM 0 HZ2 LYS A 144 -11.984 9.203 2.981 1.00 1.56 H new ATOM 0 HZ3 LYS A 144 -12.711 10.374 3.973 1.00 1.56 H new ATOM 113 N PHE A 145 -13.860 4.588 0.349 1.00 0.66 N ATOM 114 CA PHE A 145 -12.891 4.055 -0.588 1.00 0.65 C ATOM 115 C PHE A 145 -13.675 3.330 -1.679 1.00 0.80 C ATOM 116 O PHE A 145 -14.692 2.717 -1.399 1.00 1.08 O ATOM 117 CB PHE A 145 -11.901 3.124 0.129 1.00 0.54 C ATOM 118 CG PHE A 145 -10.869 3.848 0.957 1.00 0.45 C ATOM 119 CD1 PHE A 145 -11.230 4.528 2.109 1.00 0.72 C ATOM 120 CD2 PHE A 145 -9.533 3.827 0.593 1.00 0.41 C ATOM 121 CE1 PHE A 145 -10.281 5.177 2.877 1.00 0.70 C ATOM 122 CE2 PHE A 145 -8.579 4.476 1.355 1.00 0.50 C ATOM 123 CZ PHE A 145 -8.954 5.148 2.501 1.00 0.51 C ATOM 0 H PHE A 145 -14.320 3.881 0.923 1.00 0.66 H new ATOM 0 HA PHE A 145 -12.292 4.850 -1.032 1.00 0.65 H new ATOM 0 HB2 PHE A 145 -12.459 2.445 0.774 1.00 0.54 H new ATOM 0 HB3 PHE A 145 -11.391 2.511 -0.614 1.00 0.54 H new ATOM 0 HD1 PHE A 145 -12.267 4.551 2.411 1.00 0.72 H new ATOM 0 HD2 PHE A 145 -9.232 3.296 -0.298 1.00 0.41 H new ATOM 0 HE1 PHE A 145 -10.578 5.706 3.770 1.00 0.70 H new ATOM 0 HE2 PHE A 145 -7.542 4.457 1.054 1.00 0.50 H new ATOM 0 HZ PHE A 145 -8.210 5.650 3.102 1.00 0.51 H new ATOM 133 N PRO A 146 -13.258 3.448 -2.945 1.00 0.95 N ATOM 134 CA PRO A 146 -14.068 3.018 -4.077 1.00 1.20 C ATOM 135 C PRO A 146 -13.814 1.587 -4.576 1.00 1.16 C ATOM 136 O PRO A 146 -14.693 0.732 -4.502 1.00 1.34 O ATOM 137 CB PRO A 146 -13.684 4.032 -5.159 1.00 1.61 C ATOM 138 CG PRO A 146 -12.366 4.630 -4.738 1.00 1.75 C ATOM 139 CD PRO A 146 -12.003 4.049 -3.391 1.00 1.23 C ATOM 0 HA PRO A 146 -15.122 2.990 -3.801 1.00 1.20 H new ATOM 0 HB2 PRO A 146 -13.597 3.547 -6.131 1.00 1.61 H new ATOM 0 HB3 PRO A 146 -14.447 4.804 -5.255 1.00 1.61 H new ATOM 0 HG2 PRO A 146 -11.593 4.404 -5.472 1.00 1.75 H new ATOM 0 HG3 PRO A 146 -12.441 5.716 -4.678 1.00 1.75 H new ATOM 0 HD2 PRO A 146 -11.207 3.309 -3.472 1.00 1.23 H new ATOM 0 HD3 PRO A 146 -11.655 4.817 -2.700 1.00 1.23 H new ATOM 147 N GLU A 147 -12.615 1.328 -5.078 1.00 1.10 N ATOM 148 CA GLU A 147 -12.375 0.147 -5.901 1.00 1.30 C ATOM 149 C GLU A 147 -11.202 -0.697 -5.404 1.00 1.02 C ATOM 150 O GLU A 147 -10.501 -1.305 -6.210 1.00 1.03 O ATOM 151 CB GLU A 147 -12.144 0.588 -7.347 1.00 1.64 C ATOM 152 CG GLU A 147 -10.964 1.529 -7.514 1.00 1.61 C ATOM 153 CD GLU A 147 -10.808 2.022 -8.936 1.00 1.74 C ATOM 154 OE1 GLU A 147 -11.500 2.989 -9.311 1.00 1.73 O ATOM 155 OE2 GLU A 147 -10.005 1.431 -9.688 1.00 2.18 O ATOM 0 H GLU A 147 -11.795 1.916 -4.932 1.00 1.10 H new ATOM 0 HA GLU A 147 -13.257 -0.491 -5.835 1.00 1.30 H new ATOM 0 HB2 GLU A 147 -11.985 -0.295 -7.966 1.00 1.64 H new ATOM 0 HB3 GLU A 147 -13.044 1.078 -7.717 1.00 1.64 H new ATOM 0 HG2 GLU A 147 -11.089 2.384 -6.849 1.00 1.61 H new ATOM 0 HG3 GLU A 147 -10.051 1.018 -7.208 1.00 1.61 H new ATOM 162 N LEU A 148 -10.987 -0.712 -4.086 1.00 0.87 N ATOM 163 CA LEU A 148 -9.830 -1.388 -3.477 1.00 0.76 C ATOM 164 C LEU A 148 -9.571 -2.776 -4.073 1.00 0.97 C ATOM 165 O LEU A 148 -10.331 -3.725 -3.836 1.00 1.22 O ATOM 166 CB LEU A 148 -10.019 -1.531 -1.967 1.00 0.71 C ATOM 167 CG LEU A 148 -10.175 -0.226 -1.194 1.00 0.56 C ATOM 168 CD1 LEU A 148 -10.200 -0.501 0.291 1.00 0.62 C ATOM 169 CD2 LEU A 148 -9.058 0.739 -1.544 1.00 0.54 C ATOM 0 H LEU A 148 -11.604 -0.260 -3.411 1.00 0.87 H new ATOM 0 HA LEU A 148 -8.967 -0.759 -3.693 1.00 0.76 H new ATOM 0 HB2 LEU A 148 -10.900 -2.147 -1.786 1.00 0.71 H new ATOM 0 HB3 LEU A 148 -9.164 -2.072 -1.562 1.00 0.71 H new ATOM 0 HG LEU A 148 -11.121 0.236 -1.476 1.00 0.56 H new ATOM 0 HD11 LEU A 148 -10.312 0.438 0.833 1.00 0.62 H new ATOM 0 HD12 LEU A 148 -11.038 -1.157 0.525 1.00 0.62 H new ATOM 0 HD13 LEU A 148 -9.268 -0.982 0.588 1.00 0.62 H new ATOM 0 HD21 LEU A 148 -9.187 1.664 -0.982 1.00 0.54 H new ATOM 0 HD22 LEU A 148 -8.097 0.291 -1.290 1.00 0.54 H new ATOM 0 HD23 LEU A 148 -9.086 0.956 -2.612 1.00 0.54 H new ATOM 181 N PRO A 149 -8.491 -2.900 -4.861 1.00 0.92 N ATOM 182 CA PRO A 149 -8.089 -4.168 -5.477 1.00 1.11 C ATOM 183 C PRO A 149 -7.647 -5.210 -4.448 1.00 1.19 C ATOM 184 O PRO A 149 -7.176 -4.873 -3.360 1.00 1.14 O ATOM 185 CB PRO A 149 -6.910 -3.782 -6.378 1.00 1.17 C ATOM 186 CG PRO A 149 -6.976 -2.298 -6.508 1.00 0.92 C ATOM 187 CD PRO A 149 -7.594 -1.797 -5.239 1.00 0.74 C ATOM 0 HA PRO A 149 -8.919 -4.629 -6.012 1.00 1.11 H new ATOM 0 HB2 PRO A 149 -5.962 -4.096 -5.940 1.00 1.17 H new ATOM 0 HB3 PRO A 149 -6.986 -4.265 -7.352 1.00 1.17 H new ATOM 0 HG2 PRO A 149 -5.982 -1.875 -6.651 1.00 0.92 H new ATOM 0 HG3 PRO A 149 -7.573 -2.009 -7.373 1.00 0.92 H new ATOM 0 HD2 PRO A 149 -6.844 -1.603 -4.472 1.00 0.74 H new ATOM 0 HD3 PRO A 149 -8.139 -0.866 -5.394 1.00 0.74 H new ATOM 195 N SER A 150 -7.794 -6.479 -4.806 1.00 1.35 N ATOM 196 CA SER A 150 -7.465 -7.569 -3.901 1.00 1.45 C ATOM 197 C SER A 150 -6.173 -8.276 -4.308 1.00 1.42 C ATOM 198 O SER A 150 -5.605 -9.034 -3.517 1.00 1.56 O ATOM 199 CB SER A 150 -8.621 -8.567 -3.847 1.00 1.60 C ATOM 200 OG SER A 150 -9.808 -7.936 -3.395 1.00 2.32 O ATOM 0 H SER A 150 -8.139 -6.778 -5.718 1.00 1.35 H new ATOM 0 HA SER A 150 -7.306 -7.144 -2.910 1.00 1.45 H new ATOM 0 HB2 SER A 150 -8.785 -8.995 -4.836 1.00 1.60 H new ATOM 0 HB3 SER A 150 -8.365 -9.391 -3.181 1.00 1.60 H new ATOM 0 HG SER A 150 -10.537 -8.591 -3.369 1.00 2.32 H new ATOM 206 N GLY A 151 -5.704 -8.026 -5.531 1.00 1.29 N ATOM 207 CA GLY A 151 -4.485 -8.655 -6.001 1.00 1.28 C ATOM 208 C GLY A 151 -4.721 -9.668 -7.112 1.00 1.24 C ATOM 209 O GLY A 151 -5.839 -10.155 -7.289 1.00 1.36 O ATOM 0 H GLY A 151 -6.149 -7.399 -6.202 1.00 1.29 H new ATOM 0 HA2 GLY A 151 -3.802 -7.885 -6.360 1.00 1.28 H new ATOM 0 HA3 GLY A 151 -3.994 -9.152 -5.164 1.00 1.28 H new ATOM 213 N ILE A 152 -3.660 -9.977 -7.851 1.00 1.15 N ATOM 214 CA ILE A 152 -3.712 -10.961 -8.933 1.00 1.16 C ATOM 215 C ILE A 152 -3.614 -12.372 -8.375 1.00 1.24 C ATOM 216 O ILE A 152 -3.067 -12.586 -7.288 1.00 1.30 O ATOM 217 CB ILE A 152 -2.546 -10.791 -9.936 1.00 1.08 C ATOM 218 CG1 ILE A 152 -1.206 -10.907 -9.199 1.00 1.05 C ATOM 219 CG2 ILE A 152 -2.650 -9.471 -10.681 1.00 1.06 C ATOM 220 CD1 ILE A 152 0.010 -10.893 -10.097 1.00 1.00 C ATOM 0 H ILE A 152 -2.741 -9.555 -7.719 1.00 1.15 H new ATOM 0 HA ILE A 152 -4.662 -10.799 -9.443 1.00 1.16 H new ATOM 0 HB ILE A 152 -2.606 -11.586 -10.679 1.00 1.08 H new ATOM 0 HG12 ILE A 152 -1.125 -10.085 -8.488 1.00 1.05 H new ATOM 0 HG13 ILE A 152 -1.203 -11.831 -8.620 1.00 1.05 H new ATOM 0 HG21 ILE A 152 -1.817 -9.380 -11.378 1.00 1.06 H new ATOM 0 HG22 ILE A 152 -3.590 -9.437 -11.232 1.00 1.06 H new ATOM 0 HG23 ILE A 152 -2.618 -8.647 -9.968 1.00 1.06 H new ATOM 0 HD11 ILE A 152 0.911 -10.979 -9.490 1.00 1.00 H new ATOM 0 HD12 ILE A 152 -0.041 -11.731 -10.792 1.00 1.00 H new ATOM 0 HD13 ILE A 152 0.038 -9.958 -10.657 1.00 1.00 H new ATOM 232 N ASP A 153 -4.122 -13.334 -9.122 1.00 1.33 N ATOM 233 CA ASP A 153 -3.958 -14.727 -8.754 1.00 1.40 C ATOM 234 C ASP A 153 -2.585 -15.195 -9.204 1.00 1.38 C ATOM 235 O ASP A 153 -2.189 -14.969 -10.348 1.00 1.40 O ATOM 236 CB ASP A 153 -5.058 -15.590 -9.370 1.00 1.56 C ATOM 237 CG ASP A 153 -5.259 -16.889 -8.615 1.00 2.38 C ATOM 238 OD1 ASP A 153 -4.511 -17.854 -8.871 1.00 2.83 O ATOM 239 OD2 ASP A 153 -6.169 -16.936 -7.756 1.00 3.20 O ATOM 0 H ASP A 153 -4.648 -13.178 -9.982 1.00 1.33 H new ATOM 0 HA ASP A 153 -4.039 -14.827 -7.672 1.00 1.40 H new ATOM 0 HB2 ASP A 153 -5.993 -15.030 -9.381 1.00 1.56 H new ATOM 0 HB3 ASP A 153 -4.806 -15.810 -10.407 1.00 1.56 H new ATOM 244 N VAL A 154 -1.857 -15.831 -8.303 1.00 1.41 N ATOM 245 CA VAL A 154 -0.463 -16.152 -8.542 1.00 1.39 C ATOM 246 C VAL A 154 -0.263 -17.653 -8.516 1.00 1.51 C ATOM 247 O VAL A 154 -0.494 -18.302 -7.490 1.00 1.60 O ATOM 248 CB VAL A 154 0.469 -15.502 -7.488 1.00 1.31 C ATOM 249 CG1 VAL A 154 1.932 -15.710 -7.849 1.00 1.31 C ATOM 250 CG2 VAL A 154 0.171 -14.020 -7.335 1.00 1.18 C ATOM 0 H VAL A 154 -2.211 -16.136 -7.396 1.00 1.41 H new ATOM 0 HA VAL A 154 -0.204 -15.753 -9.523 1.00 1.39 H new ATOM 0 HB VAL A 154 0.277 -15.992 -6.533 1.00 1.31 H new ATOM 0 HG11 VAL A 154 2.563 -15.244 -7.093 1.00 1.31 H new ATOM 0 HG12 VAL A 154 2.147 -16.778 -7.894 1.00 1.31 H new ATOM 0 HG13 VAL A 154 2.135 -15.258 -8.820 1.00 1.31 H new ATOM 0 HG21 VAL A 154 0.839 -13.590 -6.589 1.00 1.18 H new ATOM 0 HG22 VAL A 154 0.322 -13.518 -8.291 1.00 1.18 H new ATOM 0 HG23 VAL A 154 -0.863 -13.888 -7.015 1.00 1.18 H new ATOM 260 N ASN A 155 0.116 -18.196 -9.659 1.00 1.59 N ATOM 261 CA ASN A 155 0.468 -19.599 -9.769 1.00 1.69 C ATOM 262 C ASN A 155 1.775 -19.886 -9.032 1.00 1.65 C ATOM 263 O ASN A 155 2.873 -19.849 -9.601 1.00 1.66 O ATOM 264 CB ASN A 155 0.542 -20.018 -11.246 1.00 1.79 C ATOM 265 CG ASN A 155 1.541 -19.216 -12.073 1.00 2.07 C ATOM 266 OD1 ASN A 155 1.754 -18.025 -11.842 1.00 2.69 O ATOM 267 ND2 ASN A 155 2.152 -19.866 -13.051 1.00 2.17 N ATOM 0 H ASN A 155 0.188 -17.678 -10.535 1.00 1.59 H new ATOM 0 HA ASN A 155 -0.311 -20.196 -9.295 1.00 1.69 H new ATOM 0 HB2 ASN A 155 0.807 -21.074 -11.300 1.00 1.79 H new ATOM 0 HB3 ASN A 155 -0.447 -19.915 -11.692 1.00 1.79 H new ATOM 0 HD21 ASN A 155 2.825 -19.380 -13.644 1.00 2.17 H new ATOM 0 HD22 ASN A 155 1.950 -20.853 -13.212 1.00 2.17 H new ATOM 274 N ILE A 156 1.635 -20.199 -7.754 1.00 1.64 N ATOM 275 CA ILE A 156 2.770 -20.384 -6.861 1.00 1.62 C ATOM 276 C ILE A 156 3.406 -21.758 -7.032 1.00 1.69 C ATOM 277 O ILE A 156 4.094 -22.259 -6.141 1.00 1.73 O ATOM 278 CB ILE A 156 2.366 -20.165 -5.390 1.00 1.63 C ATOM 279 CG1 ILE A 156 1.141 -21.016 -5.033 1.00 1.74 C ATOM 280 CG2 ILE A 156 2.097 -18.689 -5.142 1.00 1.51 C ATOM 281 CD1 ILE A 156 0.596 -20.761 -3.641 1.00 1.80 C ATOM 0 H ILE A 156 0.729 -20.333 -7.304 1.00 1.64 H new ATOM 0 HA ILE A 156 3.511 -19.633 -7.133 1.00 1.62 H new ATOM 0 HB ILE A 156 3.188 -20.480 -4.747 1.00 1.63 H new ATOM 0 HG12 ILE A 156 0.353 -20.823 -5.761 1.00 1.74 H new ATOM 0 HG13 ILE A 156 1.406 -22.070 -5.121 1.00 1.74 H new ATOM 0 HG21 ILE A 156 1.812 -18.541 -4.100 1.00 1.51 H new ATOM 0 HG22 ILE A 156 2.998 -18.114 -5.357 1.00 1.51 H new ATOM 0 HG23 ILE A 156 1.288 -18.353 -5.791 1.00 1.51 H new ATOM 0 HD11 ILE A 156 -0.269 -21.401 -3.466 1.00 1.80 H new ATOM 0 HD12 ILE A 156 1.367 -20.982 -2.902 1.00 1.80 H new ATOM 0 HD13 ILE A 156 0.298 -19.716 -3.553 1.00 1.80 H new ATOM 293 N ASN A 157 3.169 -22.359 -8.187 1.00 1.73 N ATOM 294 CA ASN A 157 3.823 -23.599 -8.562 1.00 1.77 C ATOM 295 C ASN A 157 5.115 -23.293 -9.311 1.00 1.79 C ATOM 296 O ASN A 157 5.972 -24.158 -9.481 1.00 1.77 O ATOM 297 CB ASN A 157 2.900 -24.453 -9.442 1.00 1.92 C ATOM 298 CG ASN A 157 2.505 -23.749 -10.733 1.00 2.12 C ATOM 299 OD1 ASN A 157 1.511 -23.031 -10.779 1.00 2.43 O ATOM 300 ND2 ASN A 157 3.280 -23.953 -11.788 1.00 2.67 N ATOM 0 H ASN A 157 2.520 -22.001 -8.888 1.00 1.73 H new ATOM 0 HA ASN A 157 4.053 -24.160 -7.656 1.00 1.77 H new ATOM 0 HB2 ASN A 157 3.400 -25.391 -9.683 1.00 1.92 H new ATOM 0 HB3 ASN A 157 2.001 -24.706 -8.881 1.00 1.92 H new ATOM 0 HD21 ASN A 157 3.058 -23.506 -12.678 1.00 2.67 H new ATOM 0 HD22 ASN A 157 4.098 -24.557 -11.711 1.00 2.67 H new ATOM 307 N MET A 158 5.244 -22.051 -9.759 1.00 1.90 N ATOM 308 CA MET A 158 6.412 -21.627 -10.522 1.00 2.03 C ATOM 309 C MET A 158 6.992 -20.337 -9.951 1.00 2.06 C ATOM 310 O MET A 158 8.197 -20.101 -10.020 1.00 2.54 O ATOM 311 CB MET A 158 6.036 -21.432 -11.995 1.00 2.22 C ATOM 312 CG MET A 158 7.177 -20.922 -12.868 1.00 2.49 C ATOM 313 SD MET A 158 8.599 -22.034 -12.889 1.00 2.73 S ATOM 314 CE MET A 158 7.874 -23.513 -13.598 1.00 3.33 C ATOM 0 H MET A 158 4.552 -21.317 -9.607 1.00 1.90 H new ATOM 0 HA MET A 158 7.172 -22.405 -10.450 1.00 2.03 H new ATOM 0 HB2 MET A 158 5.682 -22.381 -12.397 1.00 2.22 H new ATOM 0 HB3 MET A 158 5.204 -20.730 -12.056 1.00 2.22 H new ATOM 0 HG2 MET A 158 6.815 -20.785 -13.887 1.00 2.49 H new ATOM 0 HG3 MET A 158 7.493 -19.943 -12.508 1.00 2.49 H new ATOM 0 HE1 MET A 158 8.565 -23.946 -14.321 1.00 3.33 H new ATOM 0 HE2 MET A 158 7.676 -24.236 -12.807 1.00 3.33 H new ATOM 0 HE3 MET A 158 6.940 -23.257 -14.098 1.00 3.33 H new ATOM 324 N THR A 159 6.129 -19.512 -9.378 1.00 1.70 N ATOM 325 CA THR A 159 6.544 -18.229 -8.844 1.00 1.67 C ATOM 326 C THR A 159 5.853 -17.964 -7.511 1.00 1.55 C ATOM 327 O THR A 159 4.647 -18.158 -7.372 1.00 1.48 O ATOM 328 CB THR A 159 6.246 -17.089 -9.846 1.00 1.68 C ATOM 329 OG1 THR A 159 6.579 -15.816 -9.279 1.00 1.80 O ATOM 330 CG2 THR A 159 4.786 -17.102 -10.277 1.00 1.69 C ATOM 0 H THR A 159 5.134 -19.711 -9.272 1.00 1.70 H new ATOM 0 HA THR A 159 7.621 -18.259 -8.680 1.00 1.67 H new ATOM 0 HB THR A 159 6.865 -17.255 -10.728 1.00 1.68 H new ATOM 0 HG1 THR A 159 6.022 -15.121 -9.686 1.00 1.80 H new ATOM 0 HG21 THR A 159 4.607 -16.289 -10.981 1.00 1.69 H new ATOM 0 HG22 THR A 159 4.556 -18.054 -10.756 1.00 1.69 H new ATOM 0 HG23 THR A 159 4.148 -16.972 -9.403 1.00 1.69 H new ATOM 338 N THR A 160 6.628 -17.553 -6.523 1.00 1.57 N ATOM 339 CA THR A 160 6.094 -17.282 -5.202 1.00 1.48 C ATOM 340 C THR A 160 5.646 -15.827 -5.089 1.00 1.30 C ATOM 341 O THR A 160 6.135 -14.974 -5.837 1.00 1.25 O ATOM 342 CB THR A 160 7.137 -17.594 -4.109 1.00 1.57 C ATOM 343 OG1 THR A 160 8.381 -16.945 -4.418 1.00 1.57 O ATOM 344 CG2 THR A 160 7.357 -19.094 -3.983 1.00 1.87 C ATOM 0 H THR A 160 7.632 -17.399 -6.612 1.00 1.57 H new ATOM 0 HA THR A 160 5.231 -17.931 -5.054 1.00 1.48 H new ATOM 0 HB THR A 160 6.759 -17.218 -3.158 1.00 1.57 H new ATOM 0 HG1 THR A 160 9.038 -17.146 -3.719 1.00 1.57 H new ATOM 0 HG21 THR A 160 8.096 -19.289 -3.206 1.00 1.87 H new ATOM 0 HG22 THR A 160 6.417 -19.579 -3.719 1.00 1.87 H new ATOM 0 HG23 THR A 160 7.715 -19.490 -4.933 1.00 1.87 H new ATOM 352 N PRO A 161 4.712 -15.514 -4.174 1.00 1.25 N ATOM 353 CA PRO A 161 4.223 -14.147 -3.996 1.00 1.10 C ATOM 354 C PRO A 161 5.371 -13.164 -3.810 1.00 1.04 C ATOM 355 O PRO A 161 5.412 -12.118 -4.456 1.00 0.96 O ATOM 356 CB PRO A 161 3.362 -14.213 -2.727 1.00 1.13 C ATOM 357 CG PRO A 161 3.624 -15.556 -2.125 1.00 1.37 C ATOM 358 CD PRO A 161 4.058 -16.449 -3.250 1.00 1.35 C ATOM 0 HA PRO A 161 3.668 -13.798 -4.867 1.00 1.10 H new ATOM 0 HB2 PRO A 161 3.627 -13.415 -2.033 1.00 1.13 H new ATOM 0 HB3 PRO A 161 2.305 -14.091 -2.965 1.00 1.13 H new ATOM 0 HG2 PRO A 161 4.397 -15.494 -1.359 1.00 1.37 H new ATOM 0 HG3 PRO A 161 2.728 -15.947 -1.643 1.00 1.37 H new ATOM 0 HD2 PRO A 161 4.742 -17.226 -2.909 1.00 1.35 H new ATOM 0 HD3 PRO A 161 3.211 -16.953 -3.716 1.00 1.35 H new ATOM 366 N ALA A 162 6.319 -13.540 -2.952 1.00 1.12 N ATOM 367 CA ALA A 162 7.482 -12.710 -2.648 1.00 1.15 C ATOM 368 C ALA A 162 8.208 -12.275 -3.916 1.00 1.12 C ATOM 369 O ALA A 162 8.599 -11.118 -4.048 1.00 1.08 O ATOM 370 CB ALA A 162 8.439 -13.468 -1.744 1.00 1.37 C ATOM 0 H ALA A 162 6.302 -14.427 -2.449 1.00 1.12 H new ATOM 0 HA ALA A 162 7.127 -11.814 -2.138 1.00 1.15 H new ATOM 0 HB1 ALA A 162 9.303 -12.842 -1.522 1.00 1.37 H new ATOM 0 HB2 ALA A 162 7.932 -13.729 -0.815 1.00 1.37 H new ATOM 0 HB3 ALA A 162 8.769 -14.378 -2.245 1.00 1.37 H new ATOM 376 N MET A 163 8.372 -13.206 -4.847 1.00 1.16 N ATOM 377 CA MET A 163 9.056 -12.925 -6.102 1.00 1.24 C ATOM 378 C MET A 163 8.276 -11.902 -6.925 1.00 1.08 C ATOM 379 O MET A 163 8.839 -10.930 -7.425 1.00 1.04 O ATOM 380 CB MET A 163 9.239 -14.219 -6.900 1.00 1.46 C ATOM 381 CG MET A 163 9.834 -14.011 -8.282 1.00 2.02 C ATOM 382 SD MET A 163 11.463 -13.240 -8.236 1.00 2.40 S ATOM 383 CE MET A 163 11.796 -13.069 -9.990 1.00 2.50 C ATOM 0 H MET A 163 8.039 -14.166 -4.756 1.00 1.16 H new ATOM 0 HA MET A 163 10.036 -12.506 -5.876 1.00 1.24 H new ATOM 0 HB2 MET A 163 9.883 -14.894 -6.336 1.00 1.46 H new ATOM 0 HB3 MET A 163 8.272 -14.711 -7.002 1.00 1.46 H new ATOM 0 HG2 MET A 163 9.907 -14.973 -8.789 1.00 2.02 H new ATOM 0 HG3 MET A 163 9.160 -13.390 -8.872 1.00 2.02 H new ATOM 0 HE1 MET A 163 12.772 -12.606 -10.131 1.00 2.50 H new ATOM 0 HE2 MET A 163 11.790 -14.053 -10.459 1.00 2.50 H new ATOM 0 HE3 MET A 163 11.028 -12.444 -10.447 1.00 2.50 H new ATOM 393 N MET A 164 6.973 -12.122 -7.043 1.00 1.04 N ATOM 394 CA MET A 164 6.106 -11.226 -7.805 1.00 0.97 C ATOM 395 C MET A 164 6.097 -9.833 -7.188 1.00 0.83 C ATOM 396 O MET A 164 6.194 -8.829 -7.893 1.00 0.85 O ATOM 397 CB MET A 164 4.680 -11.779 -7.856 1.00 1.04 C ATOM 398 CG MET A 164 4.579 -13.159 -8.489 1.00 1.06 C ATOM 399 SD MET A 164 5.079 -13.181 -10.223 1.00 1.71 S ATOM 400 CE MET A 164 3.823 -12.136 -10.960 1.00 1.81 C ATOM 0 H MET A 164 6.490 -12.915 -6.620 1.00 1.04 H new ATOM 0 HA MET A 164 6.497 -11.158 -8.820 1.00 0.97 H new ATOM 0 HB2 MET A 164 4.281 -11.824 -6.843 1.00 1.04 H new ATOM 0 HB3 MET A 164 4.051 -11.086 -8.415 1.00 1.04 H new ATOM 0 HG2 MET A 164 5.202 -13.856 -7.928 1.00 1.06 H new ATOM 0 HG3 MET A 164 3.552 -13.515 -8.409 1.00 1.06 H new ATOM 0 HE1 MET A 164 3.796 -12.303 -12.037 1.00 1.81 H new ATOM 0 HE2 MET A 164 2.851 -12.378 -10.531 1.00 1.81 H new ATOM 0 HE3 MET A 164 4.057 -11.090 -10.761 1.00 1.81 H new ATOM 410 N ILE A 165 5.994 -9.795 -5.864 1.00 0.75 N ATOM 411 CA ILE A 165 5.958 -8.544 -5.114 1.00 0.65 C ATOM 412 C ILE A 165 7.232 -7.730 -5.316 1.00 0.62 C ATOM 413 O ILE A 165 7.174 -6.535 -5.617 1.00 0.56 O ATOM 414 CB ILE A 165 5.778 -8.811 -3.601 1.00 0.69 C ATOM 415 CG1 ILE A 165 4.433 -9.492 -3.336 1.00 0.74 C ATOM 416 CG2 ILE A 165 5.884 -7.512 -2.807 1.00 0.68 C ATOM 417 CD1 ILE A 165 4.306 -10.053 -1.937 1.00 0.90 C ATOM 0 H ILE A 165 5.933 -10.629 -5.281 1.00 0.75 H new ATOM 0 HA ILE A 165 5.108 -7.977 -5.493 1.00 0.65 H new ATOM 0 HB ILE A 165 6.576 -9.478 -3.273 1.00 0.69 H new ATOM 0 HG12 ILE A 165 3.631 -8.773 -3.505 1.00 0.74 H new ATOM 0 HG13 ILE A 165 4.295 -10.298 -4.056 1.00 0.74 H new ATOM 0 HG21 ILE A 165 5.754 -7.723 -1.745 1.00 0.68 H new ATOM 0 HG22 ILE A 165 6.864 -7.064 -2.971 1.00 0.68 H new ATOM 0 HG23 ILE A 165 5.109 -6.820 -3.137 1.00 0.68 H new ATOM 0 HD11 ILE A 165 3.328 -10.521 -1.820 1.00 0.90 H new ATOM 0 HD12 ILE A 165 5.086 -10.796 -1.771 1.00 0.90 H new ATOM 0 HD13 ILE A 165 4.412 -9.247 -1.211 1.00 0.90 H new ATOM 429 N SER A 166 8.377 -8.389 -5.224 1.00 0.71 N ATOM 430 CA SER A 166 9.640 -7.680 -5.146 1.00 0.73 C ATOM 431 C SER A 166 10.076 -7.250 -6.537 1.00 0.65 C ATOM 432 O SER A 166 10.698 -6.198 -6.717 1.00 0.65 O ATOM 433 CB SER A 166 10.698 -8.569 -4.492 1.00 0.87 C ATOM 434 OG SER A 166 10.703 -9.861 -5.074 1.00 1.94 O ATOM 0 H SER A 166 8.456 -9.406 -5.202 1.00 0.71 H new ATOM 0 HA SER A 166 9.517 -6.787 -4.532 1.00 0.73 H new ATOM 0 HB2 SER A 166 11.681 -8.112 -4.603 1.00 0.87 H new ATOM 0 HB3 SER A 166 10.502 -8.648 -3.423 1.00 0.87 H new ATOM 0 HG SER A 166 10.058 -10.433 -4.607 1.00 1.94 H new ATOM 440 N SER A 167 9.733 -8.066 -7.525 1.00 0.70 N ATOM 441 CA SER A 167 10.070 -7.759 -8.896 1.00 0.63 C ATOM 442 C SER A 167 9.194 -6.621 -9.403 1.00 0.50 C ATOM 443 O SER A 167 9.713 -5.560 -9.722 1.00 0.71 O ATOM 444 CB SER A 167 9.918 -9.000 -9.785 1.00 0.78 C ATOM 445 OG SER A 167 10.334 -8.738 -11.114 1.00 1.37 O ATOM 0 H SER A 167 9.224 -8.940 -7.397 1.00 0.70 H new ATOM 0 HA SER A 167 11.113 -7.444 -8.938 1.00 0.63 H new ATOM 0 HB2 SER A 167 10.507 -9.819 -9.373 1.00 0.78 H new ATOM 0 HB3 SER A 167 8.877 -9.324 -9.785 1.00 0.78 H new ATOM 0 HG SER A 167 10.227 -9.548 -11.656 1.00 1.37 H new ATOM 451 N GLU A 168 7.872 -6.840 -9.472 1.00 0.56 N ATOM 452 CA GLU A 168 6.937 -5.784 -9.878 1.00 0.44 C ATOM 453 C GLU A 168 7.317 -4.417 -9.327 1.00 0.34 C ATOM 454 O GLU A 168 7.543 -3.480 -10.095 1.00 0.48 O ATOM 455 CB GLU A 168 5.517 -6.118 -9.412 1.00 0.53 C ATOM 456 CG GLU A 168 4.440 -5.743 -10.421 1.00 0.95 C ATOM 457 CD GLU A 168 4.600 -4.335 -10.954 1.00 1.02 C ATOM 458 OE1 GLU A 168 4.136 -3.390 -10.283 1.00 1.21 O ATOM 459 OE2 GLU A 168 5.164 -4.173 -12.052 1.00 1.26 O ATOM 0 H GLU A 168 7.430 -7.733 -9.253 1.00 0.56 H new ATOM 0 HA GLU A 168 6.984 -5.738 -10.966 1.00 0.44 H new ATOM 0 HB2 GLU A 168 5.453 -7.186 -9.205 1.00 0.53 H new ATOM 0 HB3 GLU A 168 5.320 -5.600 -8.474 1.00 0.53 H new ATOM 0 HG2 GLU A 168 4.467 -6.447 -11.253 1.00 0.95 H new ATOM 0 HG3 GLU A 168 3.460 -5.840 -9.953 1.00 0.95 H new ATOM 466 N LEU A 169 7.408 -4.303 -8.020 1.00 0.36 N ATOM 467 CA LEU A 169 7.648 -3.012 -7.404 1.00 0.45 C ATOM 468 C LEU A 169 9.000 -2.424 -7.826 1.00 0.50 C ATOM 469 O LEU A 169 9.053 -1.334 -8.392 1.00 0.50 O ATOM 470 CB LEU A 169 7.549 -3.141 -5.886 1.00 0.54 C ATOM 471 CG LEU A 169 6.211 -3.699 -5.385 1.00 0.47 C ATOM 472 CD1 LEU A 169 6.230 -3.879 -3.877 1.00 0.66 C ATOM 473 CD2 LEU A 169 5.065 -2.788 -5.791 1.00 0.47 C ATOM 0 H LEU A 169 7.321 -5.081 -7.366 1.00 0.36 H new ATOM 0 HA LEU A 169 6.883 -2.317 -7.750 1.00 0.45 H new ATOM 0 HB2 LEU A 169 8.353 -3.788 -5.535 1.00 0.54 H new ATOM 0 HB3 LEU A 169 7.710 -2.160 -5.439 1.00 0.54 H new ATOM 0 HG LEU A 169 6.060 -4.675 -5.846 1.00 0.47 H new ATOM 0 HD11 LEU A 169 5.270 -4.276 -3.546 1.00 0.66 H new ATOM 0 HD12 LEU A 169 7.024 -4.574 -3.604 1.00 0.66 H new ATOM 0 HD13 LEU A 169 6.410 -2.917 -3.398 1.00 0.66 H new ATOM 0 HD21 LEU A 169 4.125 -3.201 -5.426 1.00 0.47 H new ATOM 0 HD22 LEU A 169 5.217 -1.798 -5.361 1.00 0.47 H new ATOM 0 HD23 LEU A 169 5.030 -2.710 -6.878 1.00 0.47 H new ATOM 485 N ALA A 170 10.073 -3.165 -7.578 1.00 0.55 N ATOM 486 CA ALA A 170 11.433 -2.667 -7.804 1.00 0.60 C ATOM 487 C ALA A 170 11.854 -2.606 -9.284 1.00 0.59 C ATOM 488 O ALA A 170 12.813 -1.909 -9.619 1.00 0.64 O ATOM 489 CB ALA A 170 12.420 -3.518 -7.026 1.00 0.62 C ATOM 0 H ALA A 170 10.032 -4.119 -7.218 1.00 0.55 H new ATOM 0 HA ALA A 170 11.438 -1.636 -7.451 1.00 0.60 H new ATOM 0 HB1 ALA A 170 13.431 -3.148 -7.194 1.00 0.62 H new ATOM 0 HB2 ALA A 170 12.186 -3.466 -5.963 1.00 0.62 H new ATOM 0 HB3 ALA A 170 12.352 -4.553 -7.362 1.00 0.62 H new ATOM 495 N LYS A 171 11.166 -3.324 -10.168 1.00 0.55 N ATOM 496 CA LYS A 171 11.585 -3.388 -11.571 1.00 0.59 C ATOM 497 C LYS A 171 11.134 -2.158 -12.350 1.00 0.64 C ATOM 498 O LYS A 171 11.520 -1.973 -13.503 1.00 0.78 O ATOM 499 CB LYS A 171 11.055 -4.650 -12.268 1.00 0.58 C ATOM 500 CG LYS A 171 9.600 -4.568 -12.717 1.00 0.63 C ATOM 501 CD LYS A 171 9.294 -5.630 -13.761 1.00 0.67 C ATOM 502 CE LYS A 171 7.919 -5.444 -14.389 1.00 0.96 C ATOM 503 NZ LYS A 171 6.813 -5.778 -13.452 1.00 0.93 N ATOM 0 H LYS A 171 10.329 -3.863 -9.946 1.00 0.55 H new ATOM 0 HA LYS A 171 12.674 -3.422 -11.562 1.00 0.59 H new ATOM 0 HB2 LYS A 171 11.678 -4.857 -13.138 1.00 0.58 H new ATOM 0 HB3 LYS A 171 11.164 -5.496 -11.590 1.00 0.58 H new ATOM 0 HG2 LYS A 171 8.942 -4.697 -11.858 1.00 0.63 H new ATOM 0 HG3 LYS A 171 9.397 -3.579 -13.128 1.00 0.63 H new ATOM 0 HD2 LYS A 171 10.055 -5.599 -14.541 1.00 0.67 H new ATOM 0 HD3 LYS A 171 9.350 -6.616 -13.300 1.00 0.67 H new ATOM 0 HE2 LYS A 171 7.811 -4.411 -14.719 1.00 0.96 H new ATOM 0 HE3 LYS A 171 7.841 -6.072 -15.276 1.00 0.96 H new ATOM 0 HZ1 LYS A 171 5.990 -6.113 -13.992 1.00 0.93 H new ATOM 0 HZ2 LYS A 171 7.125 -6.524 -12.798 1.00 0.93 H new ATOM 0 HZ3 LYS A 171 6.550 -4.931 -12.910 1.00 0.93 H new ATOM 517 N LYS A 172 10.307 -1.333 -11.730 1.00 0.60 N ATOM 518 CA LYS A 172 9.818 -0.136 -12.386 1.00 0.64 C ATOM 519 C LYS A 172 10.782 1.023 -12.160 1.00 0.54 C ATOM 520 O LYS A 172 11.319 1.182 -11.064 1.00 0.62 O ATOM 521 CB LYS A 172 8.412 0.216 -11.886 1.00 0.80 C ATOM 522 CG LYS A 172 7.356 -0.807 -12.287 1.00 0.78 C ATOM 523 CD LYS A 172 5.946 -0.325 -11.967 1.00 0.67 C ATOM 524 CE LYS A 172 5.719 -0.173 -10.471 1.00 0.91 C ATOM 525 NZ LYS A 172 5.780 -1.476 -9.763 1.00 1.40 N ATOM 0 H LYS A 172 9.963 -1.470 -10.780 1.00 0.60 H new ATOM 0 HA LYS A 172 9.757 -0.326 -13.458 1.00 0.64 H new ATOM 0 HB2 LYS A 172 8.431 0.301 -10.800 1.00 0.80 H new ATOM 0 HB3 LYS A 172 8.129 1.193 -12.278 1.00 0.80 H new ATOM 0 HG2 LYS A 172 7.436 -1.012 -13.355 1.00 0.78 H new ATOM 0 HG3 LYS A 172 7.545 -1.746 -11.767 1.00 0.78 H new ATOM 0 HD2 LYS A 172 5.770 0.632 -12.459 1.00 0.67 H new ATOM 0 HD3 LYS A 172 5.221 -1.030 -12.373 1.00 0.67 H new ATOM 0 HE2 LYS A 172 6.470 0.500 -10.057 1.00 0.91 H new ATOM 0 HE3 LYS A 172 4.747 0.289 -10.297 1.00 0.91 H new ATOM 0 HZ1 LYS A 172 5.586 -1.331 -8.752 1.00 1.40 H new ATOM 0 HZ2 LYS A 172 5.069 -2.122 -10.162 1.00 1.40 H new ATOM 0 HZ3 LYS A 172 6.727 -1.890 -9.878 1.00 1.40 H new ATOM 539 N PRO A 173 11.038 1.816 -13.217 1.00 0.47 N ATOM 540 CA PRO A 173 11.969 2.959 -13.169 1.00 0.42 C ATOM 541 C PRO A 173 11.692 3.877 -11.981 1.00 0.35 C ATOM 542 O PRO A 173 10.537 4.134 -11.646 1.00 0.35 O ATOM 543 CB PRO A 173 11.704 3.678 -14.486 1.00 0.43 C ATOM 544 CG PRO A 173 11.234 2.615 -15.409 1.00 0.62 C ATOM 545 CD PRO A 173 10.444 1.660 -14.559 1.00 0.53 C ATOM 0 HA PRO A 173 13.006 2.646 -13.044 1.00 0.42 H new ATOM 0 HB2 PRO A 173 10.953 4.459 -14.366 1.00 0.43 H new ATOM 0 HB3 PRO A 173 12.607 4.159 -14.863 1.00 0.43 H new ATOM 0 HG2 PRO A 173 10.618 3.032 -16.206 1.00 0.62 H new ATOM 0 HG3 PRO A 173 12.074 2.111 -15.887 1.00 0.62 H new ATOM 0 HD2 PRO A 173 9.382 1.908 -14.559 1.00 0.53 H new ATOM 0 HD3 PRO A 173 10.532 0.635 -14.920 1.00 0.53 H new ATOM 553 N LYS A 174 12.774 4.385 -11.376 1.00 0.34 N ATOM 554 CA LYS A 174 12.715 5.133 -10.115 1.00 0.36 C ATOM 555 C LYS A 174 11.556 6.137 -10.057 1.00 0.32 C ATOM 556 O LYS A 174 10.890 6.248 -9.025 1.00 0.34 O ATOM 557 CB LYS A 174 14.034 5.870 -9.868 1.00 0.43 C ATOM 558 CG LYS A 174 13.997 6.765 -8.639 1.00 0.59 C ATOM 559 CD LYS A 174 15.291 7.530 -8.435 1.00 0.82 C ATOM 560 CE LYS A 174 16.375 6.645 -7.851 1.00 1.58 C ATOM 561 NZ LYS A 174 17.631 7.401 -7.597 1.00 2.38 N ATOM 0 H LYS A 174 13.718 4.288 -11.750 1.00 0.34 H new ATOM 0 HA LYS A 174 12.542 4.393 -9.334 1.00 0.36 H new ATOM 0 HB2 LYS A 174 14.835 5.140 -9.754 1.00 0.43 H new ATOM 0 HB3 LYS A 174 14.275 6.474 -10.743 1.00 0.43 H new ATOM 0 HG2 LYS A 174 13.173 7.472 -8.734 1.00 0.59 H new ATOM 0 HG3 LYS A 174 13.796 6.157 -7.757 1.00 0.59 H new ATOM 0 HD2 LYS A 174 15.628 7.938 -9.388 1.00 0.82 H new ATOM 0 HD3 LYS A 174 15.114 8.376 -7.771 1.00 0.82 H new ATOM 0 HE2 LYS A 174 16.021 6.205 -6.919 1.00 1.58 H new ATOM 0 HE3 LYS A 174 16.579 5.821 -8.535 1.00 1.58 H new ATOM 0 HZ1 LYS A 174 18.347 6.761 -7.198 1.00 2.38 H new ATOM 0 HZ2 LYS A 174 17.983 7.800 -8.491 1.00 2.38 H new ATOM 0 HZ3 LYS A 174 17.442 8.172 -6.924 1.00 2.38 H new ATOM 575 N GLU A 175 11.308 6.847 -11.154 1.00 0.31 N ATOM 576 CA GLU A 175 10.293 7.895 -11.165 1.00 0.34 C ATOM 577 C GLU A 175 8.934 7.369 -10.681 1.00 0.29 C ATOM 578 O GLU A 175 8.226 8.070 -9.969 1.00 0.33 O ATOM 579 CB GLU A 175 10.164 8.533 -12.555 1.00 0.46 C ATOM 580 CG GLU A 175 9.114 9.636 -12.621 1.00 0.74 C ATOM 581 CD GLU A 175 9.226 10.501 -13.860 1.00 0.83 C ATOM 582 OE1 GLU A 175 8.953 10.005 -14.970 1.00 1.27 O ATOM 583 OE2 GLU A 175 9.577 11.692 -13.727 1.00 1.48 O ATOM 0 H GLU A 175 11.793 6.717 -12.042 1.00 0.31 H new ATOM 0 HA GLU A 175 10.620 8.667 -10.468 1.00 0.34 H new ATOM 0 HB2 GLU A 175 11.130 8.943 -12.849 1.00 0.46 H new ATOM 0 HB3 GLU A 175 9.913 7.759 -13.280 1.00 0.46 H new ATOM 0 HG2 GLU A 175 8.122 9.185 -12.590 1.00 0.74 H new ATOM 0 HG3 GLU A 175 9.205 10.267 -11.737 1.00 0.74 H new ATOM 590 N VAL A 176 8.584 6.141 -11.056 1.00 0.27 N ATOM 591 CA VAL A 176 7.328 5.529 -10.613 1.00 0.26 C ATOM 592 C VAL A 176 7.194 5.497 -9.092 1.00 0.25 C ATOM 593 O VAL A 176 6.207 5.991 -8.546 1.00 0.29 O ATOM 594 CB VAL A 176 7.160 4.101 -11.169 1.00 0.26 C ATOM 595 CG1 VAL A 176 6.053 3.349 -10.431 1.00 0.26 C ATOM 596 CG2 VAL A 176 6.859 4.163 -12.655 1.00 0.32 C ATOM 0 H VAL A 176 9.149 5.549 -11.664 1.00 0.27 H new ATOM 0 HA VAL A 176 6.537 6.164 -11.012 1.00 0.26 H new ATOM 0 HB VAL A 176 8.092 3.557 -11.014 1.00 0.26 H new ATOM 0 HG11 VAL A 176 5.957 2.345 -10.844 1.00 0.26 H new ATOM 0 HG12 VAL A 176 6.302 3.283 -9.372 1.00 0.26 H new ATOM 0 HG13 VAL A 176 5.110 3.882 -10.550 1.00 0.26 H new ATOM 0 HG21 VAL A 176 6.741 3.152 -13.045 1.00 0.32 H new ATOM 0 HG22 VAL A 176 5.939 4.724 -12.817 1.00 0.32 H new ATOM 0 HG23 VAL A 176 7.681 4.658 -13.172 1.00 0.32 H new ATOM 606 N GLN A 177 8.175 4.919 -8.409 1.00 0.23 N ATOM 607 CA GLN A 177 8.093 4.797 -6.960 1.00 0.28 C ATOM 608 C GLN A 177 8.153 6.170 -6.300 1.00 0.32 C ATOM 609 O GLN A 177 7.584 6.370 -5.231 1.00 0.37 O ATOM 610 CB GLN A 177 9.183 3.865 -6.416 1.00 0.30 C ATOM 611 CG GLN A 177 10.570 4.142 -6.945 1.00 0.45 C ATOM 612 CD GLN A 177 11.324 2.867 -7.250 1.00 0.87 C ATOM 613 OE1 GLN A 177 10.740 1.867 -7.660 1.00 1.79 O ATOM 614 NE2 GLN A 177 12.616 2.883 -7.011 1.00 0.96 N ATOM 0 H GLN A 177 9.022 4.534 -8.827 1.00 0.23 H new ATOM 0 HA GLN A 177 7.131 4.348 -6.713 1.00 0.28 H new ATOM 0 HB2 GLN A 177 9.201 3.944 -5.329 1.00 0.30 H new ATOM 0 HB3 GLN A 177 8.916 2.836 -6.656 1.00 0.30 H new ATOM 0 HG2 GLN A 177 10.499 4.747 -7.849 1.00 0.45 H new ATOM 0 HG3 GLN A 177 11.127 4.727 -6.213 1.00 0.45 H new ATOM 0 HE21 GLN A 177 13.061 3.735 -6.671 1.00 0.96 H new ATOM 0 HE22 GLN A 177 13.174 2.043 -7.165 1.00 0.96 H new ATOM 623 N LEU A 178 8.816 7.117 -6.949 1.00 0.35 N ATOM 624 CA LEU A 178 8.861 8.484 -6.454 1.00 0.39 C ATOM 625 C LEU A 178 7.486 9.130 -6.611 1.00 0.39 C ATOM 626 O LEU A 178 6.982 9.763 -5.686 1.00 0.46 O ATOM 627 CB LEU A 178 9.921 9.298 -7.206 1.00 0.44 C ATOM 628 CG LEU A 178 11.320 8.673 -7.250 1.00 0.54 C ATOM 629 CD1 LEU A 178 12.317 9.636 -7.873 1.00 0.58 C ATOM 630 CD2 LEU A 178 11.782 8.237 -5.868 1.00 0.55 C ATOM 0 H LEU A 178 9.329 6.964 -7.817 1.00 0.35 H new ATOM 0 HA LEU A 178 9.132 8.468 -5.398 1.00 0.39 H new ATOM 0 HB2 LEU A 178 9.578 9.452 -8.229 1.00 0.44 H new ATOM 0 HB3 LEU A 178 9.995 10.282 -6.743 1.00 0.44 H new ATOM 0 HG LEU A 178 11.264 7.781 -7.873 1.00 0.54 H new ATOM 0 HD11 LEU A 178 13.304 9.174 -7.895 1.00 0.58 H new ATOM 0 HD12 LEU A 178 12.005 9.875 -8.890 1.00 0.58 H new ATOM 0 HD13 LEU A 178 12.358 10.551 -7.282 1.00 0.58 H new ATOM 0 HD21 LEU A 178 12.777 7.799 -5.939 1.00 0.55 H new ATOM 0 HD22 LEU A 178 11.812 9.102 -5.205 1.00 0.55 H new ATOM 0 HD23 LEU A 178 11.088 7.498 -5.469 1.00 0.55 H new ATOM 642 N LYS A 179 6.882 8.944 -7.786 1.00 0.36 N ATOM 643 CA LYS A 179 5.522 9.411 -8.052 1.00 0.40 C ATOM 644 C LYS A 179 4.566 8.874 -7.000 1.00 0.31 C ATOM 645 O LYS A 179 3.878 9.632 -6.310 1.00 0.29 O ATOM 646 CB LYS A 179 5.044 8.934 -9.435 1.00 0.49 C ATOM 647 CG LYS A 179 5.654 9.670 -10.619 1.00 0.98 C ATOM 648 CD LYS A 179 5.170 11.110 -10.715 1.00 1.00 C ATOM 649 CE LYS A 179 5.424 11.676 -12.103 1.00 1.36 C ATOM 650 NZ LYS A 179 5.091 13.122 -12.190 1.00 1.52 N ATOM 0 H LYS A 179 7.319 8.468 -8.575 1.00 0.36 H new ATOM 0 HA LYS A 179 5.533 10.501 -8.025 1.00 0.40 H new ATOM 0 HB2 LYS A 179 5.268 7.872 -9.533 1.00 0.49 H new ATOM 0 HB3 LYS A 179 3.960 9.037 -9.483 1.00 0.49 H new ATOM 0 HG2 LYS A 179 6.740 9.659 -10.530 1.00 0.98 H new ATOM 0 HG3 LYS A 179 5.404 9.143 -11.540 1.00 0.98 H new ATOM 0 HD2 LYS A 179 4.105 11.156 -10.489 1.00 1.00 H new ATOM 0 HD3 LYS A 179 5.681 11.720 -9.970 1.00 1.00 H new ATOM 0 HE2 LYS A 179 6.471 11.530 -12.367 1.00 1.36 H new ATOM 0 HE3 LYS A 179 4.831 11.124 -12.833 1.00 1.36 H new ATOM 0 HZ1 LYS A 179 5.280 13.464 -13.154 1.00 1.52 H new ATOM 0 HZ2 LYS A 179 4.085 13.261 -11.964 1.00 1.52 H new ATOM 0 HZ3 LYS A 179 5.674 13.654 -11.513 1.00 1.52 H new ATOM 664 N PHE A 180 4.568 7.552 -6.875 1.00 0.29 N ATOM 665 CA PHE A 180 3.663 6.851 -5.988 1.00 0.23 C ATOM 666 C PHE A 180 3.881 7.299 -4.557 1.00 0.22 C ATOM 667 O PHE A 180 2.975 7.838 -3.930 1.00 0.23 O ATOM 668 CB PHE A 180 3.872 5.334 -6.113 1.00 0.19 C ATOM 669 CG PHE A 180 3.055 4.509 -5.149 1.00 0.17 C ATOM 670 CD1 PHE A 180 3.468 4.345 -3.836 1.00 0.15 C ATOM 671 CD2 PHE A 180 1.878 3.898 -5.552 1.00 0.26 C ATOM 672 CE1 PHE A 180 2.731 3.593 -2.948 1.00 0.17 C ATOM 673 CE2 PHE A 180 1.141 3.143 -4.664 1.00 0.29 C ATOM 674 CZ PHE A 180 1.564 2.995 -3.364 1.00 0.23 C ATOM 0 H PHE A 180 5.201 6.939 -7.390 1.00 0.29 H new ATOM 0 HA PHE A 180 2.637 7.086 -6.272 1.00 0.23 H new ATOM 0 HB2 PHE A 180 3.628 5.029 -7.130 1.00 0.19 H new ATOM 0 HB3 PHE A 180 4.928 5.111 -5.958 1.00 0.19 H new ATOM 0 HD1 PHE A 180 4.382 4.814 -3.504 1.00 0.15 H new ATOM 0 HD2 PHE A 180 1.535 4.014 -6.570 1.00 0.26 H new ATOM 0 HE1 PHE A 180 3.068 3.473 -1.929 1.00 0.17 H new ATOM 0 HE2 PHE A 180 0.229 2.666 -4.991 1.00 0.29 H new ATOM 0 HZ PHE A 180 0.980 2.409 -2.670 1.00 0.23 H new ATOM 684 N LEU A 181 5.097 7.104 -4.063 1.00 0.25 N ATOM 685 CA LEU A 181 5.397 7.338 -2.662 1.00 0.27 C ATOM 686 C LEU A 181 5.205 8.792 -2.258 1.00 0.29 C ATOM 687 O LEU A 181 4.835 9.058 -1.121 1.00 0.29 O ATOM 688 CB LEU A 181 6.815 6.883 -2.325 1.00 0.31 C ATOM 689 CG LEU A 181 7.065 5.377 -2.417 1.00 0.31 C ATOM 690 CD1 LEU A 181 8.519 5.065 -2.108 1.00 0.37 C ATOM 691 CD2 LEU A 181 6.145 4.626 -1.465 1.00 0.29 C ATOM 0 H LEU A 181 5.892 6.783 -4.616 1.00 0.25 H new ATOM 0 HA LEU A 181 4.684 6.744 -2.089 1.00 0.27 H new ATOM 0 HB2 LEU A 181 7.509 7.390 -2.995 1.00 0.31 H new ATOM 0 HB3 LEU A 181 7.052 7.211 -1.313 1.00 0.31 H new ATOM 0 HG LEU A 181 6.848 5.050 -3.434 1.00 0.31 H new ATOM 0 HD11 LEU A 181 8.683 3.990 -2.177 1.00 0.37 H new ATOM 0 HD12 LEU A 181 9.161 5.577 -2.825 1.00 0.37 H new ATOM 0 HD13 LEU A 181 8.758 5.404 -1.100 1.00 0.37 H new ATOM 0 HD21 LEU A 181 6.336 3.556 -1.543 1.00 0.29 H new ATOM 0 HD22 LEU A 181 6.333 4.954 -0.443 1.00 0.29 H new ATOM 0 HD23 LEU A 181 5.107 4.829 -1.726 1.00 0.29 H new ATOM 703 N GLN A 182 5.445 9.737 -3.165 1.00 0.31 N ATOM 704 CA GLN A 182 5.263 11.150 -2.849 1.00 0.35 C ATOM 705 C GLN A 182 3.806 11.477 -2.592 1.00 0.29 C ATOM 706 O GLN A 182 3.428 11.874 -1.489 1.00 0.31 O ATOM 707 CB GLN A 182 5.771 12.017 -3.995 1.00 0.48 C ATOM 708 CG GLN A 182 7.218 12.422 -3.851 1.00 0.78 C ATOM 709 CD GLN A 182 7.431 13.317 -2.647 1.00 1.22 C ATOM 710 OE1 GLN A 182 6.540 14.066 -2.250 1.00 1.83 O ATOM 711 NE2 GLN A 182 8.610 13.257 -2.066 1.00 1.51 N ATOM 0 H GLN A 182 5.763 9.551 -4.116 1.00 0.31 H new ATOM 0 HA GLN A 182 5.834 11.358 -1.944 1.00 0.35 H new ATOM 0 HB2 GLN A 182 5.646 11.475 -4.933 1.00 0.48 H new ATOM 0 HB3 GLN A 182 5.156 12.915 -4.061 1.00 0.48 H new ATOM 0 HG2 GLN A 182 7.838 11.530 -3.756 1.00 0.78 H new ATOM 0 HG3 GLN A 182 7.542 12.941 -4.753 1.00 0.78 H new ATOM 0 HE21 GLN A 182 9.324 12.623 -2.425 1.00 1.51 H new ATOM 0 HE22 GLN A 182 8.810 13.845 -1.257 1.00 1.51 H new ATOM 720 N LYS A 183 2.991 11.311 -3.619 1.00 0.30 N ATOM 721 CA LYS A 183 1.569 11.615 -3.513 1.00 0.36 C ATOM 722 C LYS A 183 0.902 10.733 -2.457 1.00 0.25 C ATOM 723 O LYS A 183 -0.034 11.161 -1.782 1.00 0.27 O ATOM 724 CB LYS A 183 0.884 11.460 -4.874 1.00 0.57 C ATOM 725 CG LYS A 183 0.910 10.046 -5.429 1.00 0.92 C ATOM 726 CD LYS A 183 0.658 10.032 -6.931 1.00 1.07 C ATOM 727 CE LYS A 183 -0.655 10.709 -7.283 1.00 0.72 C ATOM 728 NZ LYS A 183 -0.882 10.764 -8.748 1.00 1.46 N ATOM 0 H LYS A 183 3.285 10.969 -4.534 1.00 0.30 H new ATOM 0 HA LYS A 183 1.462 12.652 -3.196 1.00 0.36 H new ATOM 0 HB2 LYS A 183 -0.153 11.784 -4.785 1.00 0.57 H new ATOM 0 HB3 LYS A 183 1.366 12.127 -5.588 1.00 0.57 H new ATOM 0 HG2 LYS A 183 1.876 9.588 -5.217 1.00 0.92 H new ATOM 0 HG3 LYS A 183 0.154 9.443 -4.926 1.00 0.92 H new ATOM 0 HD2 LYS A 183 1.477 10.537 -7.443 1.00 1.07 H new ATOM 0 HD3 LYS A 183 0.645 9.003 -7.289 1.00 1.07 H new ATOM 0 HE2 LYS A 183 -1.477 10.172 -6.810 1.00 0.72 H new ATOM 0 HE3 LYS A 183 -0.660 11.721 -6.878 1.00 0.72 H new ATOM 0 HZ1 LYS A 183 -1.606 11.479 -8.960 1.00 1.46 H new ATOM 0 HZ2 LYS A 183 0.006 11.017 -9.228 1.00 1.46 H new ATOM 0 HZ3 LYS A 183 -1.205 9.834 -9.084 1.00 1.46 H new ATOM 742 N PHE A 184 1.389 9.502 -2.325 1.00 0.21 N ATOM 743 CA PHE A 184 0.927 8.604 -1.276 1.00 0.21 C ATOM 744 C PHE A 184 1.268 9.181 0.093 1.00 0.22 C ATOM 745 O PHE A 184 0.400 9.284 0.953 1.00 0.25 O ATOM 746 CB PHE A 184 1.545 7.212 -1.446 1.00 0.22 C ATOM 747 CG PHE A 184 0.923 6.150 -0.580 1.00 0.22 C ATOM 748 CD1 PHE A 184 -0.318 5.616 -0.899 1.00 0.21 C ATOM 749 CD2 PHE A 184 1.578 5.683 0.550 1.00 0.29 C ATOM 750 CE1 PHE A 184 -0.887 4.638 -0.111 1.00 0.22 C ATOM 751 CE2 PHE A 184 1.010 4.702 1.342 1.00 0.32 C ATOM 752 CZ PHE A 184 -0.226 4.181 1.012 1.00 0.26 C ATOM 0 H PHE A 184 2.105 9.105 -2.934 1.00 0.21 H new ATOM 0 HA PHE A 184 -0.156 8.504 -1.353 1.00 0.21 H new ATOM 0 HB2 PHE A 184 1.455 6.912 -2.490 1.00 0.22 H new ATOM 0 HB3 PHE A 184 2.610 7.270 -1.222 1.00 0.22 H new ATOM 0 HD1 PHE A 184 -0.843 5.970 -1.774 1.00 0.21 H new ATOM 0 HD2 PHE A 184 2.543 6.090 0.814 1.00 0.29 H new ATOM 0 HE1 PHE A 184 -1.852 4.229 -0.373 1.00 0.22 H new ATOM 0 HE2 PHE A 184 1.532 4.344 2.217 1.00 0.32 H new ATOM 0 HZ PHE A 184 -0.674 3.418 1.631 1.00 0.26 H new ATOM 762 N GLN A 185 2.534 9.559 0.288 1.00 0.24 N ATOM 763 CA GLN A 185 2.974 10.187 1.533 1.00 0.30 C ATOM 764 C GLN A 185 2.103 11.393 1.863 1.00 0.32 C ATOM 765 O GLN A 185 1.587 11.503 2.973 1.00 0.39 O ATOM 766 CB GLN A 185 4.437 10.628 1.433 1.00 0.35 C ATOM 767 CG GLN A 185 5.038 11.045 2.766 1.00 0.64 C ATOM 768 CD GLN A 185 6.271 11.917 2.613 1.00 0.53 C ATOM 769 OE1 GLN A 185 7.004 11.827 1.627 1.00 1.22 O ATOM 770 NE2 GLN A 185 6.528 12.745 3.609 1.00 0.82 N ATOM 0 H GLN A 185 3.274 9.440 -0.404 1.00 0.24 H new ATOM 0 HA GLN A 185 2.880 9.448 2.329 1.00 0.30 H new ATOM 0 HB2 GLN A 185 5.027 9.811 1.017 1.00 0.35 H new ATOM 0 HB3 GLN A 185 4.510 11.461 0.734 1.00 0.35 H new ATOM 0 HG2 GLN A 185 4.288 11.584 3.344 1.00 0.64 H new ATOM 0 HG3 GLN A 185 5.299 10.153 3.336 1.00 0.64 H new ATOM 0 HE21 GLN A 185 5.897 12.792 4.409 1.00 0.82 H new ATOM 0 HE22 GLN A 185 7.357 13.338 3.578 1.00 0.82 H new ATOM 779 N GLU A 186 1.942 12.293 0.896 1.00 0.29 N ATOM 780 CA GLU A 186 1.071 13.459 1.065 1.00 0.33 C ATOM 781 C GLU A 186 -0.323 13.030 1.526 1.00 0.31 C ATOM 782 O GLU A 186 -0.832 13.508 2.544 1.00 0.35 O ATOM 783 CB GLU A 186 0.973 14.240 -0.250 1.00 0.37 C ATOM 784 CG GLU A 186 2.309 14.772 -0.746 1.00 1.12 C ATOM 785 CD GLU A 186 2.954 15.732 0.232 1.00 1.57 C ATOM 786 OE1 GLU A 186 3.396 15.289 1.309 1.00 2.39 O ATOM 787 OE2 GLU A 186 3.014 16.943 -0.067 1.00 1.79 O ATOM 0 H GLU A 186 2.402 12.240 -0.013 1.00 0.29 H new ATOM 0 HA GLU A 186 1.504 14.104 1.830 1.00 0.33 H new ATOM 0 HB2 GLU A 186 0.543 13.594 -1.015 1.00 0.37 H new ATOM 0 HB3 GLU A 186 0.286 15.076 -0.116 1.00 0.37 H new ATOM 0 HG2 GLU A 186 2.984 13.936 -0.927 1.00 1.12 H new ATOM 0 HG3 GLU A 186 2.163 15.276 -1.701 1.00 1.12 H new ATOM 794 N TRP A 187 -0.931 12.146 0.745 1.00 0.26 N ATOM 795 CA TRP A 187 -2.209 11.526 1.090 1.00 0.26 C ATOM 796 C TRP A 187 -2.219 11.006 2.530 1.00 0.26 C ATOM 797 O TRP A 187 -3.163 11.268 3.277 1.00 0.28 O ATOM 798 CB TRP A 187 -2.509 10.392 0.098 1.00 0.24 C ATOM 799 CG TRP A 187 -3.748 9.594 0.401 1.00 0.23 C ATOM 800 CD1 TRP A 187 -5.050 9.984 0.244 1.00 0.30 C ATOM 801 CD2 TRP A 187 -3.794 8.249 0.891 1.00 0.20 C ATOM 802 NE1 TRP A 187 -5.892 8.962 0.605 1.00 0.28 N ATOM 803 CE2 TRP A 187 -5.148 7.888 1.011 1.00 0.21 C ATOM 804 CE3 TRP A 187 -2.820 7.317 1.242 1.00 0.23 C ATOM 805 CZ2 TRP A 187 -5.548 6.630 1.468 1.00 0.21 C ATOM 806 CZ3 TRP A 187 -3.217 6.073 1.693 1.00 0.26 C ATOM 807 CH2 TRP A 187 -4.569 5.741 1.803 1.00 0.23 C ATOM 0 H TRP A 187 -0.552 11.836 -0.150 1.00 0.26 H new ATOM 0 HA TRP A 187 -2.989 12.284 1.022 1.00 0.26 H new ATOM 0 HB2 TRP A 187 -2.605 10.819 -0.900 1.00 0.24 H new ATOM 0 HB3 TRP A 187 -1.655 9.715 0.075 1.00 0.24 H new ATOM 0 HD1 TRP A 187 -5.368 10.953 -0.111 1.00 0.30 H new ATOM 0 HE1 TRP A 187 -6.911 8.998 0.575 1.00 0.28 H new ATOM 0 HE3 TRP A 187 -1.771 7.563 1.163 1.00 0.23 H new ATOM 0 HZ2 TRP A 187 -6.593 6.371 1.553 1.00 0.21 H new ATOM 0 HZ3 TRP A 187 -2.468 5.344 1.965 1.00 0.26 H new ATOM 0 HH2 TRP A 187 -4.845 4.760 2.161 1.00 0.23 H new ATOM 818 N THR A 188 -1.168 10.293 2.934 1.00 0.25 N ATOM 819 CA THR A 188 -1.131 9.695 4.264 1.00 0.27 C ATOM 820 C THR A 188 -0.912 10.746 5.355 1.00 0.29 C ATOM 821 O THR A 188 -1.367 10.578 6.482 1.00 0.32 O ATOM 822 CB THR A 188 -0.026 8.616 4.398 1.00 0.29 C ATOM 823 OG1 THR A 188 1.274 9.200 4.262 1.00 1.21 O ATOM 824 CG2 THR A 188 -0.182 7.524 3.359 1.00 1.00 C ATOM 0 H THR A 188 -0.340 10.118 2.365 1.00 0.25 H new ATOM 0 HA THR A 188 -2.106 9.225 4.396 1.00 0.27 H new ATOM 0 HB THR A 188 -0.132 8.177 5.390 1.00 0.29 H new ATOM 0 HG1 THR A 188 1.205 10.040 3.762 1.00 1.21 H new ATOM 0 HG21 THR A 188 0.611 6.786 3.485 1.00 1.00 H new ATOM 0 HG22 THR A 188 -1.151 7.040 3.482 1.00 1.00 H new ATOM 0 HG23 THR A 188 -0.118 7.959 2.362 1.00 1.00 H new ATOM 832 N ARG A 189 -0.216 11.831 5.022 1.00 0.28 N ATOM 833 CA ARG A 189 0.079 12.873 6.005 1.00 0.34 C ATOM 834 C ARG A 189 -1.186 13.612 6.409 1.00 0.36 C ATOM 835 O ARG A 189 -1.379 13.941 7.580 1.00 0.42 O ATOM 836 CB ARG A 189 1.113 13.867 5.475 1.00 0.38 C ATOM 837 CG ARG A 189 2.507 13.279 5.339 1.00 0.46 C ATOM 838 CD ARG A 189 3.572 14.362 5.336 1.00 0.63 C ATOM 839 NE ARG A 189 3.481 15.227 4.165 1.00 1.26 N ATOM 840 CZ ARG A 189 3.676 16.546 4.197 1.00 1.93 C ATOM 841 NH1 ARG A 189 3.889 17.173 5.350 1.00 2.16 N ATOM 842 NH2 ARG A 189 3.641 17.239 3.071 1.00 2.62 N ATOM 0 H ARG A 189 0.152 12.012 4.088 1.00 0.28 H new ATOM 0 HA ARG A 189 0.496 12.379 6.883 1.00 0.34 H new ATOM 0 HB2 ARG A 189 0.786 14.235 4.502 1.00 0.38 H new ATOM 0 HB3 ARG A 189 1.154 14.727 6.143 1.00 0.38 H new ATOM 0 HG2 ARG A 189 2.693 12.587 6.161 1.00 0.46 H new ATOM 0 HG3 ARG A 189 2.571 12.702 4.416 1.00 0.46 H new ATOM 0 HD2 ARG A 189 3.475 14.965 6.239 1.00 0.63 H new ATOM 0 HD3 ARG A 189 4.558 13.898 5.366 1.00 0.63 H new ATOM 0 HE ARG A 189 3.255 14.797 3.268 1.00 1.26 H new ATOM 0 HH11 ARG A 189 3.905 16.645 6.222 1.00 2.16 H new ATOM 0 HH12 ARG A 189 4.037 18.182 5.362 1.00 2.16 H new ATOM 0 HH21 ARG A 189 3.466 16.764 2.185 1.00 2.62 H new ATOM 0 HH22 ARG A 189 3.789 18.248 3.088 1.00 2.62 H new ATOM 856 N ALA A 190 -2.051 13.862 5.440 1.00 0.34 N ATOM 857 CA ALA A 190 -3.314 14.535 5.708 1.00 0.41 C ATOM 858 C ALA A 190 -4.364 13.537 6.170 1.00 0.34 C ATOM 859 O ALA A 190 -5.404 13.914 6.711 1.00 0.40 O ATOM 860 CB ALA A 190 -3.802 15.265 4.468 1.00 0.54 C ATOM 0 H ALA A 190 -1.904 13.610 4.463 1.00 0.34 H new ATOM 0 HA ALA A 190 -3.149 15.263 6.502 1.00 0.41 H new ATOM 0 HB1 ALA A 190 -4.747 15.762 4.687 1.00 0.54 H new ATOM 0 HB2 ALA A 190 -3.062 16.007 4.168 1.00 0.54 H new ATOM 0 HB3 ALA A 190 -3.947 14.550 3.658 1.00 0.54 H new ATOM 866 N HIS A 191 -4.084 12.260 5.954 1.00 0.36 N ATOM 867 CA HIS A 191 -5.044 11.204 6.244 1.00 0.35 C ATOM 868 C HIS A 191 -4.364 10.008 6.902 1.00 0.28 C ATOM 869 O HIS A 191 -4.335 8.919 6.332 1.00 0.33 O ATOM 870 CB HIS A 191 -5.733 10.755 4.952 1.00 0.58 C ATOM 871 CG HIS A 191 -6.415 11.867 4.225 1.00 0.49 C ATOM 872 ND1 HIS A 191 -7.630 12.373 4.611 1.00 0.53 N ATOM 873 CD2 HIS A 191 -6.020 12.606 3.160 1.00 0.91 C ATOM 874 CE1 HIS A 191 -7.956 13.376 3.817 1.00 0.81 C ATOM 875 NE2 HIS A 191 -6.996 13.543 2.928 1.00 1.04 N ATOM 0 H HIS A 191 -3.196 11.929 5.577 1.00 0.36 H new ATOM 0 HA HIS A 191 -5.786 11.603 6.936 1.00 0.35 H new ATOM 0 HB2 HIS A 191 -4.993 10.301 4.293 1.00 0.58 H new ATOM 0 HB3 HIS A 191 -6.465 9.983 5.189 1.00 0.58 H new ATOM 0 HD2 HIS A 191 -5.106 12.481 2.598 1.00 0.91 H new ATOM 0 HE1 HIS A 191 -8.860 13.963 3.884 1.00 0.81 H new ATOM 0 HE2 HIS A 191 -6.981 14.249 2.192 1.00 1.04 H new ATOM 884 N PRO A 192 -3.812 10.183 8.115 1.00 0.23 N ATOM 885 CA PRO A 192 -3.126 9.100 8.825 1.00 0.25 C ATOM 886 C PRO A 192 -4.100 8.023 9.271 1.00 0.27 C ATOM 887 O PRO A 192 -3.724 6.874 9.489 1.00 0.40 O ATOM 888 CB PRO A 192 -2.496 9.790 10.043 1.00 0.29 C ATOM 889 CG PRO A 192 -2.599 11.255 9.773 1.00 0.45 C ATOM 890 CD PRO A 192 -3.801 11.431 8.891 1.00 0.24 C ATOM 0 HA PRO A 192 -2.393 8.597 8.193 1.00 0.25 H new ATOM 0 HB2 PRO A 192 -3.021 9.523 10.960 1.00 0.29 H new ATOM 0 HB3 PRO A 192 -1.457 9.487 10.171 1.00 0.29 H new ATOM 0 HG2 PRO A 192 -2.711 11.816 10.701 1.00 0.45 H new ATOM 0 HG3 PRO A 192 -1.698 11.626 9.283 1.00 0.45 H new ATOM 0 HD2 PRO A 192 -4.715 11.556 9.471 1.00 0.24 H new ATOM 0 HD3 PRO A 192 -3.709 12.307 8.249 1.00 0.24 H new ATOM 898 N GLU A 193 -5.358 8.410 9.381 1.00 0.26 N ATOM 899 CA GLU A 193 -6.406 7.491 9.783 1.00 0.32 C ATOM 900 C GLU A 193 -6.866 6.681 8.580 1.00 0.28 C ATOM 901 O GLU A 193 -6.896 5.452 8.627 1.00 0.30 O ATOM 902 CB GLU A 193 -7.575 8.264 10.402 1.00 0.46 C ATOM 903 CG GLU A 193 -8.624 7.382 11.059 1.00 0.66 C ATOM 904 CD GLU A 193 -9.613 8.182 11.882 1.00 1.26 C ATOM 905 OE1 GLU A 193 -9.198 8.744 12.919 1.00 2.02 O ATOM 906 OE2 GLU A 193 -10.798 8.269 11.494 1.00 1.56 O ATOM 0 H GLU A 193 -5.679 9.360 9.196 1.00 0.26 H new ATOM 0 HA GLU A 193 -6.017 6.805 10.535 1.00 0.32 H new ATOM 0 HB2 GLU A 193 -7.184 8.960 11.145 1.00 0.46 H new ATOM 0 HB3 GLU A 193 -8.053 8.862 9.626 1.00 0.46 H new ATOM 0 HG2 GLU A 193 -9.160 6.825 10.291 1.00 0.66 H new ATOM 0 HG3 GLU A 193 -8.131 6.649 11.698 1.00 0.66 H new ATOM 913 N ASP A 194 -7.197 7.382 7.498 1.00 0.29 N ATOM 914 CA ASP A 194 -7.628 6.750 6.252 1.00 0.30 C ATOM 915 C ASP A 194 -6.567 5.780 5.753 1.00 0.23 C ATOM 916 O ASP A 194 -6.844 4.607 5.497 1.00 0.25 O ATOM 917 CB ASP A 194 -7.864 7.803 5.166 1.00 0.36 C ATOM 918 CG ASP A 194 -8.640 9.016 5.651 1.00 0.52 C ATOM 919 OD1 ASP A 194 -8.121 9.753 6.510 1.00 0.70 O ATOM 920 OD2 ASP A 194 -9.787 9.212 5.198 1.00 0.75 O ATOM 0 H ASP A 194 -7.174 8.401 7.459 1.00 0.29 H new ATOM 0 HA ASP A 194 -8.556 6.216 6.457 1.00 0.30 H new ATOM 0 HB2 ASP A 194 -6.901 8.131 4.775 1.00 0.36 H new ATOM 0 HB3 ASP A 194 -8.404 7.344 4.338 1.00 0.36 H new ATOM 925 N ALA A 195 -5.352 6.302 5.605 1.00 0.20 N ATOM 926 CA ALA A 195 -4.221 5.528 5.120 1.00 0.19 C ATOM 927 C ALA A 195 -4.015 4.251 5.919 1.00 0.16 C ATOM 928 O ALA A 195 -3.977 3.160 5.350 1.00 0.18 O ATOM 929 CB ALA A 195 -2.960 6.369 5.162 1.00 0.25 C ATOM 0 H ALA A 195 -5.128 7.274 5.819 1.00 0.20 H new ATOM 0 HA ALA A 195 -4.440 5.241 4.091 1.00 0.19 H new ATOM 0 HB1 ALA A 195 -2.118 5.781 4.797 1.00 0.25 H new ATOM 0 HB2 ALA A 195 -3.088 7.249 4.532 1.00 0.25 H new ATOM 0 HB3 ALA A 195 -2.766 6.683 6.188 1.00 0.25 H new ATOM 935 N ALA A 196 -3.885 4.386 7.231 1.00 0.17 N ATOM 936 CA ALA A 196 -3.628 3.237 8.078 1.00 0.20 C ATOM 937 C ALA A 196 -4.799 2.273 8.045 1.00 0.23 C ATOM 938 O ALA A 196 -4.600 1.063 8.077 1.00 0.27 O ATOM 939 CB ALA A 196 -3.306 3.671 9.496 1.00 0.21 C ATOM 0 H ALA A 196 -3.953 5.275 7.727 1.00 0.17 H new ATOM 0 HA ALA A 196 -2.755 2.713 7.689 1.00 0.20 H new ATOM 0 HB1 ALA A 196 -3.117 2.792 10.112 1.00 0.21 H new ATOM 0 HB2 ALA A 196 -2.420 4.307 9.490 1.00 0.21 H new ATOM 0 HB3 ALA A 196 -4.149 4.227 9.907 1.00 0.21 H new ATOM 945 N SER A 197 -6.015 2.803 7.975 1.00 0.22 N ATOM 946 CA SER A 197 -7.189 1.963 7.778 1.00 0.30 C ATOM 947 C SER A 197 -7.027 1.091 6.535 1.00 0.25 C ATOM 948 O SER A 197 -7.197 -0.135 6.604 1.00 0.24 O ATOM 949 CB SER A 197 -8.459 2.811 7.671 1.00 0.41 C ATOM 950 OG SER A 197 -8.689 3.547 8.862 1.00 0.96 O ATOM 0 H SER A 197 -6.212 3.801 8.051 1.00 0.22 H new ATOM 0 HA SER A 197 -7.285 1.313 8.648 1.00 0.30 H new ATOM 0 HB2 SER A 197 -8.371 3.497 6.828 1.00 0.41 H new ATOM 0 HB3 SER A 197 -9.314 2.166 7.469 1.00 0.41 H new ATOM 0 HG SER A 197 -7.941 4.160 9.017 1.00 0.96 H new ATOM 956 N LEU A 198 -6.664 1.696 5.396 1.00 0.24 N ATOM 957 CA LEU A 198 -6.472 0.949 4.164 1.00 0.22 C ATOM 958 C LEU A 198 -5.341 -0.067 4.295 1.00 0.19 C ATOM 959 O LEU A 198 -5.502 -1.233 3.939 1.00 0.20 O ATOM 960 CB LEU A 198 -6.171 1.937 3.029 1.00 0.21 C ATOM 961 CG LEU A 198 -5.795 1.318 1.682 1.00 0.22 C ATOM 962 CD1 LEU A 198 -6.873 0.365 1.203 1.00 0.26 C ATOM 963 CD2 LEU A 198 -5.556 2.408 0.649 1.00 0.24 C ATOM 0 H LEU A 198 -6.500 2.699 5.311 1.00 0.24 H new ATOM 0 HA LEU A 198 -7.383 0.392 3.945 1.00 0.22 H new ATOM 0 HB2 LEU A 198 -7.046 2.570 2.884 1.00 0.21 H new ATOM 0 HB3 LEU A 198 -5.356 2.588 3.347 1.00 0.21 H new ATOM 0 HG LEU A 198 -4.874 0.750 1.814 1.00 0.22 H new ATOM 0 HD11 LEU A 198 -6.581 -0.062 0.243 1.00 0.26 H new ATOM 0 HD12 LEU A 198 -7.001 -0.435 1.932 1.00 0.26 H new ATOM 0 HD13 LEU A 198 -7.812 0.906 1.089 1.00 0.26 H new ATOM 0 HD21 LEU A 198 -5.289 1.953 -0.305 1.00 0.24 H new ATOM 0 HD22 LEU A 198 -6.463 3.000 0.528 1.00 0.24 H new ATOM 0 HD23 LEU A 198 -4.744 3.054 0.983 1.00 0.24 H new ATOM 975 N LEU A 199 -4.204 0.380 4.818 1.00 0.18 N ATOM 976 CA LEU A 199 -3.030 -0.476 4.950 1.00 0.21 C ATOM 977 C LEU A 199 -3.277 -1.621 5.926 1.00 0.27 C ATOM 978 O LEU A 199 -2.673 -2.685 5.803 1.00 0.37 O ATOM 979 CB LEU A 199 -1.822 0.341 5.414 1.00 0.21 C ATOM 980 CG LEU A 199 -1.306 1.382 4.425 1.00 0.23 C ATOM 981 CD1 LEU A 199 -0.196 2.206 5.051 1.00 0.27 C ATOM 982 CD2 LEU A 199 -0.800 0.702 3.174 1.00 0.31 C ATOM 0 H LEU A 199 -4.070 1.332 5.158 1.00 0.18 H new ATOM 0 HA LEU A 199 -2.826 -0.902 3.968 1.00 0.21 H new ATOM 0 HB2 LEU A 199 -2.085 0.848 6.342 1.00 0.21 H new ATOM 0 HB3 LEU A 199 -1.009 -0.347 5.646 1.00 0.21 H new ATOM 0 HG LEU A 199 -2.128 2.047 4.162 1.00 0.23 H new ATOM 0 HD11 LEU A 199 0.160 2.943 4.331 1.00 0.27 H new ATOM 0 HD12 LEU A 199 -0.577 2.717 5.936 1.00 0.27 H new ATOM 0 HD13 LEU A 199 0.627 1.551 5.336 1.00 0.27 H new ATOM 0 HD21 LEU A 199 -0.434 1.453 2.474 1.00 0.31 H new ATOM 0 HD22 LEU A 199 0.011 0.021 3.433 1.00 0.31 H new ATOM 0 HD23 LEU A 199 -1.612 0.140 2.711 1.00 0.31 H new ATOM 994 N GLU A 200 -4.150 -1.397 6.903 1.00 0.27 N ATOM 995 CA GLU A 200 -4.460 -2.426 7.880 1.00 0.37 C ATOM 996 C GLU A 200 -5.216 -3.574 7.239 1.00 0.30 C ATOM 997 O GLU A 200 -4.963 -4.739 7.541 1.00 0.37 O ATOM 998 CB GLU A 200 -5.274 -1.867 9.049 1.00 0.54 C ATOM 999 CG GLU A 200 -4.437 -1.544 10.276 1.00 0.91 C ATOM 1000 CD GLU A 200 -5.284 -1.244 11.492 1.00 1.49 C ATOM 1001 OE1 GLU A 200 -5.908 -2.185 12.032 1.00 1.90 O ATOM 1002 OE2 GLU A 200 -5.322 -0.075 11.924 1.00 2.03 O ATOM 0 H GLU A 200 -4.650 -0.518 7.036 1.00 0.27 H new ATOM 0 HA GLU A 200 -3.509 -2.795 8.266 1.00 0.37 H new ATOM 0 HB2 GLU A 200 -5.789 -0.963 8.723 1.00 0.54 H new ATOM 0 HB3 GLU A 200 -6.042 -2.590 9.324 1.00 0.54 H new ATOM 0 HG2 GLU A 200 -3.779 -2.385 10.494 1.00 0.91 H new ATOM 0 HG3 GLU A 200 -3.799 -0.687 10.061 1.00 0.91 H new ATOM 1009 N LEU A 201 -6.146 -3.251 6.355 1.00 0.26 N ATOM 1010 CA LEU A 201 -6.968 -4.290 5.750 1.00 0.25 C ATOM 1011 C LEU A 201 -6.371 -4.799 4.433 1.00 0.23 C ATOM 1012 O LEU A 201 -6.579 -5.958 4.063 1.00 0.33 O ATOM 1013 CB LEU A 201 -8.405 -3.805 5.533 1.00 0.32 C ATOM 1014 CG LEU A 201 -9.374 -4.885 5.038 1.00 0.36 C ATOM 1015 CD1 LEU A 201 -9.378 -6.075 5.989 1.00 0.40 C ATOM 1016 CD2 LEU A 201 -10.780 -4.328 4.897 1.00 0.48 C ATOM 0 H LEU A 201 -6.349 -2.301 6.045 1.00 0.26 H new ATOM 0 HA LEU A 201 -6.987 -5.125 6.450 1.00 0.25 H new ATOM 0 HB2 LEU A 201 -8.783 -3.398 6.471 1.00 0.32 H new ATOM 0 HB3 LEU A 201 -8.394 -2.987 4.812 1.00 0.32 H new ATOM 0 HG LEU A 201 -9.034 -5.218 4.057 1.00 0.36 H new ATOM 0 HD11 LEU A 201 -10.071 -6.832 5.622 1.00 0.40 H new ATOM 0 HD12 LEU A 201 -8.375 -6.499 6.046 1.00 0.40 H new ATOM 0 HD13 LEU A 201 -9.690 -5.747 6.981 1.00 0.40 H new ATOM 0 HD21 LEU A 201 -11.449 -5.113 4.545 1.00 0.48 H new ATOM 0 HD22 LEU A 201 -11.126 -3.964 5.864 1.00 0.48 H new ATOM 0 HD23 LEU A 201 -10.776 -3.506 4.181 1.00 0.48 H new ATOM 1028 N CYS A 202 -5.652 -3.950 3.708 1.00 0.19 N ATOM 1029 CA CYS A 202 -5.032 -4.358 2.454 1.00 0.20 C ATOM 1030 C CYS A 202 -3.508 -4.437 2.585 1.00 0.24 C ATOM 1031 O CYS A 202 -2.807 -3.442 2.393 1.00 0.26 O ATOM 1032 CB CYS A 202 -5.414 -3.362 1.364 1.00 0.22 C ATOM 1033 SG CYS A 202 -7.198 -3.173 1.137 1.00 0.27 S ATOM 0 H CYS A 202 -5.484 -2.978 3.966 1.00 0.19 H new ATOM 0 HA CYS A 202 -5.392 -5.353 2.193 1.00 0.20 H new ATOM 0 HB2 CYS A 202 -4.983 -2.390 1.606 1.00 0.22 H new ATOM 0 HB3 CYS A 202 -4.969 -3.682 0.421 1.00 0.22 H new ATOM 0 HG CYS A 202 -7.426 -2.307 0.194 1.00 0.27 H new ATOM 1039 N PRO A 203 -2.979 -5.633 2.894 1.00 0.30 N ATOM 1040 CA PRO A 203 -1.545 -5.841 3.143 1.00 0.36 C ATOM 1041 C PRO A 203 -0.659 -5.680 1.903 1.00 0.28 C ATOM 1042 O PRO A 203 0.566 -5.568 2.032 1.00 0.28 O ATOM 1043 CB PRO A 203 -1.468 -7.288 3.652 1.00 0.49 C ATOM 1044 CG PRO A 203 -2.869 -7.665 3.995 1.00 0.74 C ATOM 1045 CD PRO A 203 -3.737 -6.879 3.062 1.00 0.38 C ATOM 0 HA PRO A 203 -1.171 -5.091 3.840 1.00 0.36 H new ATOM 0 HB2 PRO A 203 -1.059 -7.951 2.890 1.00 0.49 H new ATOM 0 HB3 PRO A 203 -0.817 -7.363 4.523 1.00 0.49 H new ATOM 0 HG2 PRO A 203 -3.029 -8.736 3.870 1.00 0.74 H new ATOM 0 HG3 PRO A 203 -3.095 -7.428 5.035 1.00 0.74 H new ATOM 0 HD2 PRO A 203 -3.884 -7.395 2.113 1.00 0.38 H new ATOM 0 HD3 PRO A 203 -4.726 -6.698 3.483 1.00 0.38 H new ATOM 1053 N GLN A 204 -1.253 -5.663 0.706 1.00 0.25 N ATOM 1054 CA GLN A 204 -0.447 -5.552 -0.509 1.00 0.26 C ATOM 1055 C GLN A 204 0.227 -4.187 -0.553 1.00 0.19 C ATOM 1056 O GLN A 204 1.383 -4.068 -0.944 1.00 0.25 O ATOM 1057 CB GLN A 204 -1.264 -5.807 -1.795 1.00 0.39 C ATOM 1058 CG GLN A 204 -1.895 -4.567 -2.415 1.00 0.36 C ATOM 1059 CD GLN A 204 -3.250 -4.250 -1.826 1.00 1.08 C ATOM 1060 OE1 GLN A 204 -3.354 -3.544 -0.827 1.00 1.65 O ATOM 1061 NE2 GLN A 204 -4.300 -4.769 -2.446 1.00 1.12 N ATOM 0 H GLN A 204 -2.260 -5.723 0.555 1.00 0.25 H new ATOM 0 HA GLN A 204 0.313 -6.333 -0.473 1.00 0.26 H new ATOM 0 HB2 GLN A 204 -0.613 -6.273 -2.534 1.00 0.39 H new ATOM 0 HB3 GLN A 204 -2.054 -6.524 -1.569 1.00 0.39 H new ATOM 0 HG2 GLN A 204 -1.231 -3.715 -2.270 1.00 0.36 H new ATOM 0 HG3 GLN A 204 -1.995 -4.714 -3.490 1.00 0.36 H new ATOM 0 HE21 GLN A 204 -4.168 -5.350 -3.274 1.00 1.12 H new ATOM 0 HE22 GLN A 204 -5.241 -4.587 -2.096 1.00 1.12 H new ATOM 1070 N LEU A 205 -0.488 -3.169 -0.091 1.00 0.16 N ATOM 1071 CA LEU A 205 0.012 -1.804 -0.112 1.00 0.15 C ATOM 1072 C LEU A 205 1.060 -1.597 0.979 1.00 0.18 C ATOM 1073 O LEU A 205 2.054 -0.892 0.775 1.00 0.19 O ATOM 1074 CB LEU A 205 -1.165 -0.845 0.052 1.00 0.15 C ATOM 1075 CG LEU A 205 -0.843 0.644 -0.046 1.00 0.19 C ATOM 1076 CD1 LEU A 205 -0.109 0.961 -1.337 1.00 0.21 C ATOM 1077 CD2 LEU A 205 -2.126 1.450 0.041 1.00 0.21 C ATOM 0 H LEU A 205 -1.423 -3.266 0.305 1.00 0.16 H new ATOM 0 HA LEU A 205 0.500 -1.604 -1.066 1.00 0.15 H new ATOM 0 HB2 LEU A 205 -1.910 -1.085 -0.707 1.00 0.15 H new ATOM 0 HB3 LEU A 205 -1.626 -1.032 1.022 1.00 0.15 H new ATOM 0 HG LEU A 205 -0.190 0.912 0.784 1.00 0.19 H new ATOM 0 HD11 LEU A 205 0.107 2.028 -1.380 1.00 0.21 H new ATOM 0 HD12 LEU A 205 0.825 0.400 -1.372 1.00 0.21 H new ATOM 0 HD13 LEU A 205 -0.732 0.683 -2.187 1.00 0.21 H new ATOM 0 HD21 LEU A 205 -1.894 2.513 -0.029 1.00 0.21 H new ATOM 0 HD22 LEU A 205 -2.789 1.169 -0.777 1.00 0.21 H new ATOM 0 HD23 LEU A 205 -2.619 1.248 0.992 1.00 0.21 H new ATOM 1089 N SER A 206 0.820 -2.203 2.140 1.00 0.24 N ATOM 1090 CA SER A 206 1.799 -2.232 3.218 1.00 0.27 C ATOM 1091 C SER A 206 3.186 -2.628 2.692 1.00 0.22 C ATOM 1092 O SER A 206 4.171 -1.919 2.918 1.00 0.20 O ATOM 1093 CB SER A 206 1.347 -3.217 4.295 1.00 0.35 C ATOM 1094 OG SER A 206 -0.067 -3.236 4.392 1.00 0.60 O ATOM 0 H SER A 206 -0.053 -2.684 2.357 1.00 0.24 H new ATOM 0 HA SER A 206 1.872 -1.232 3.646 1.00 0.27 H new ATOM 0 HB2 SER A 206 1.714 -4.216 4.059 1.00 0.35 H new ATOM 0 HB3 SER A 206 1.779 -2.937 5.256 1.00 0.35 H new ATOM 0 HG SER A 206 -0.342 -2.844 5.247 1.00 0.60 H new ATOM 1100 N PHE A 207 3.260 -3.738 1.959 1.00 0.21 N ATOM 1101 CA PHE A 207 4.538 -4.206 1.428 1.00 0.19 C ATOM 1102 C PHE A 207 4.894 -3.528 0.106 1.00 0.18 C ATOM 1103 O PHE A 207 6.066 -3.480 -0.272 1.00 0.20 O ATOM 1104 CB PHE A 207 4.563 -5.728 1.285 1.00 0.24 C ATOM 1105 CG PHE A 207 4.909 -6.434 2.567 1.00 0.24 C ATOM 1106 CD1 PHE A 207 6.033 -6.062 3.298 1.00 0.25 C ATOM 1107 CD2 PHE A 207 4.119 -7.469 3.041 1.00 0.69 C ATOM 1108 CE1 PHE A 207 6.356 -6.714 4.471 1.00 0.26 C ATOM 1109 CE2 PHE A 207 4.443 -8.125 4.214 1.00 0.90 C ATOM 1110 CZ PHE A 207 5.560 -7.746 4.929 1.00 0.63 C ATOM 0 H PHE A 207 2.460 -4.324 1.722 1.00 0.21 H new ATOM 0 HA PHE A 207 5.301 -3.924 2.154 1.00 0.19 H new ATOM 0 HB2 PHE A 207 3.588 -6.071 0.940 1.00 0.24 H new ATOM 0 HB3 PHE A 207 5.287 -6.003 0.518 1.00 0.24 H new ATOM 0 HD1 PHE A 207 6.658 -5.256 2.944 1.00 0.25 H new ATOM 0 HD2 PHE A 207 3.240 -7.767 2.488 1.00 0.69 H new ATOM 0 HE1 PHE A 207 7.231 -6.417 5.031 1.00 0.26 H new ATOM 0 HE2 PHE A 207 3.822 -8.934 4.570 1.00 0.90 H new ATOM 0 HZ PHE A 207 5.812 -8.256 5.847 1.00 0.63 H new ATOM 1120 N VAL A 208 3.890 -3.010 -0.597 1.00 0.17 N ATOM 1121 CA VAL A 208 4.137 -2.142 -1.745 1.00 0.18 C ATOM 1122 C VAL A 208 5.044 -0.994 -1.325 1.00 0.17 C ATOM 1123 O VAL A 208 6.072 -0.737 -1.950 1.00 0.20 O ATOM 1124 CB VAL A 208 2.820 -1.568 -2.328 1.00 0.25 C ATOM 1125 CG1 VAL A 208 3.034 -0.181 -2.915 1.00 0.34 C ATOM 1126 CG2 VAL A 208 2.269 -2.497 -3.392 1.00 0.46 C ATOM 0 H VAL A 208 2.904 -3.175 -0.394 1.00 0.17 H new ATOM 0 HA VAL A 208 4.615 -2.741 -2.520 1.00 0.18 H new ATOM 0 HB VAL A 208 2.102 -1.486 -1.512 1.00 0.25 H new ATOM 0 HG11 VAL A 208 2.092 0.194 -3.316 1.00 0.34 H new ATOM 0 HG12 VAL A 208 3.391 0.493 -2.136 1.00 0.34 H new ATOM 0 HG13 VAL A 208 3.773 -0.234 -3.715 1.00 0.34 H new ATOM 0 HG21 VAL A 208 1.344 -2.083 -3.793 1.00 0.46 H new ATOM 0 HG22 VAL A 208 2.998 -2.603 -4.195 1.00 0.46 H new ATOM 0 HG23 VAL A 208 2.068 -3.474 -2.953 1.00 0.46 H new ATOM 1136 N THR A 209 4.657 -0.330 -0.245 1.00 0.18 N ATOM 1137 CA THR A 209 5.426 0.774 0.290 1.00 0.20 C ATOM 1138 C THR A 209 6.815 0.292 0.693 1.00 0.20 C ATOM 1139 O THR A 209 7.819 0.892 0.319 1.00 0.21 O ATOM 1140 CB THR A 209 4.714 1.395 1.509 1.00 0.24 C ATOM 1141 OG1 THR A 209 3.333 1.624 1.194 1.00 0.27 O ATOM 1142 CG2 THR A 209 5.366 2.709 1.919 1.00 0.28 C ATOM 0 H THR A 209 3.808 -0.542 0.278 1.00 0.18 H new ATOM 0 HA THR A 209 5.518 1.537 -0.483 1.00 0.20 H new ATOM 0 HB THR A 209 4.796 0.698 2.343 1.00 0.24 H new ATOM 0 HG1 THR A 209 2.850 0.772 1.203 1.00 0.27 H new ATOM 0 HG21 THR A 209 4.842 3.122 2.781 1.00 0.28 H new ATOM 0 HG22 THR A 209 6.409 2.532 2.180 1.00 0.28 H new ATOM 0 HG23 THR A 209 5.314 3.415 1.090 1.00 0.28 H new ATOM 1150 N ALA A 210 6.848 -0.817 1.433 1.00 0.20 N ATOM 1151 CA ALA A 210 8.095 -1.422 1.901 1.00 0.21 C ATOM 1152 C ALA A 210 9.150 -1.534 0.798 1.00 0.17 C ATOM 1153 O ALA A 210 10.235 -0.969 0.915 1.00 0.18 O ATOM 1154 CB ALA A 210 7.815 -2.796 2.485 1.00 0.26 C ATOM 0 H ALA A 210 6.011 -1.321 1.725 1.00 0.20 H new ATOM 0 HA ALA A 210 8.501 -0.763 2.668 1.00 0.21 H new ATOM 0 HB1 ALA A 210 8.748 -3.241 2.832 1.00 0.26 H new ATOM 0 HB2 ALA A 210 7.125 -2.701 3.323 1.00 0.26 H new ATOM 0 HB3 ALA A 210 7.371 -3.433 1.720 1.00 0.26 H new ATOM 1160 N GLU A 211 8.823 -2.253 -0.273 1.00 0.19 N ATOM 1161 CA GLU A 211 9.784 -2.507 -1.346 1.00 0.20 C ATOM 1162 C GLU A 211 10.200 -1.207 -2.037 1.00 0.18 C ATOM 1163 O GLU A 211 11.371 -1.019 -2.363 1.00 0.22 O ATOM 1164 CB GLU A 211 9.196 -3.487 -2.365 1.00 0.28 C ATOM 1165 CG GLU A 211 10.159 -3.882 -3.477 1.00 1.01 C ATOM 1166 CD GLU A 211 11.353 -4.666 -2.971 1.00 1.30 C ATOM 1167 OE1 GLU A 211 11.260 -5.906 -2.886 1.00 1.63 O ATOM 1168 OE2 GLU A 211 12.387 -4.043 -2.655 1.00 1.87 O ATOM 0 H GLU A 211 7.904 -2.669 -0.422 1.00 0.19 H new ATOM 0 HA GLU A 211 10.675 -2.951 -0.902 1.00 0.20 H new ATOM 0 HB2 GLU A 211 8.873 -4.387 -1.842 1.00 0.28 H new ATOM 0 HB3 GLU A 211 8.307 -3.041 -2.811 1.00 0.28 H new ATOM 0 HG2 GLU A 211 9.626 -4.479 -4.218 1.00 1.01 H new ATOM 0 HG3 GLU A 211 10.509 -2.983 -3.984 1.00 1.01 H new ATOM 1175 N LEU A 212 9.248 -0.296 -2.233 1.00 0.17 N ATOM 1176 CA LEU A 212 9.545 0.972 -2.889 1.00 0.18 C ATOM 1177 C LEU A 212 10.461 1.822 -2.006 1.00 0.18 C ATOM 1178 O LEU A 212 11.297 2.582 -2.498 1.00 0.22 O ATOM 1179 CB LEU A 212 8.255 1.729 -3.229 1.00 0.18 C ATOM 1180 CG LEU A 212 7.289 0.982 -4.151 1.00 0.18 C ATOM 1181 CD1 LEU A 212 6.059 1.831 -4.435 1.00 0.19 C ATOM 1182 CD2 LEU A 212 7.979 0.592 -5.448 1.00 0.20 C ATOM 0 H LEU A 212 8.275 -0.412 -1.950 1.00 0.17 H new ATOM 0 HA LEU A 212 10.063 0.763 -3.825 1.00 0.18 H new ATOM 0 HB2 LEU A 212 7.736 1.967 -2.300 1.00 0.18 H new ATOM 0 HB3 LEU A 212 8.521 2.677 -3.698 1.00 0.18 H new ATOM 0 HG LEU A 212 6.970 0.070 -3.646 1.00 0.18 H new ATOM 0 HD11 LEU A 212 5.383 1.284 -5.092 1.00 0.19 H new ATOM 0 HD12 LEU A 212 5.550 2.058 -3.499 1.00 0.19 H new ATOM 0 HD13 LEU A 212 6.362 2.760 -4.918 1.00 0.19 H new ATOM 0 HD21 LEU A 212 7.275 0.062 -6.090 1.00 0.20 H new ATOM 0 HD22 LEU A 212 8.330 1.489 -5.958 1.00 0.20 H new ATOM 0 HD23 LEU A 212 8.828 -0.055 -5.228 1.00 0.20 H new ATOM 1194 N LEU A 213 10.305 1.675 -0.698 1.00 0.16 N ATOM 1195 CA LEU A 213 11.211 2.295 0.265 1.00 0.16 C ATOM 1196 C LEU A 213 12.615 1.716 0.110 1.00 0.17 C ATOM 1197 O LEU A 213 13.608 2.452 0.104 1.00 0.23 O ATOM 1198 CB LEU A 213 10.720 2.054 1.699 1.00 0.17 C ATOM 1199 CG LEU A 213 9.374 2.685 2.062 1.00 0.20 C ATOM 1200 CD1 LEU A 213 8.942 2.248 3.456 1.00 0.22 C ATOM 1201 CD2 LEU A 213 9.458 4.203 1.987 1.00 0.24 C ATOM 0 H LEU A 213 9.555 1.128 -0.275 1.00 0.16 H new ATOM 0 HA LEU A 213 11.234 3.367 0.071 1.00 0.16 H new ATOM 0 HB2 LEU A 213 10.650 0.979 1.862 1.00 0.17 H new ATOM 0 HB3 LEU A 213 11.474 2.433 2.389 1.00 0.17 H new ATOM 0 HG LEU A 213 8.629 2.344 1.343 1.00 0.20 H new ATOM 0 HD11 LEU A 213 7.983 2.705 3.700 1.00 0.22 H new ATOM 0 HD12 LEU A 213 8.844 1.163 3.483 1.00 0.22 H new ATOM 0 HD13 LEU A 213 9.690 2.563 4.184 1.00 0.22 H new ATOM 0 HD21 LEU A 213 8.492 4.634 2.248 1.00 0.24 H new ATOM 0 HD22 LEU A 213 10.215 4.560 2.685 1.00 0.24 H new ATOM 0 HD23 LEU A 213 9.727 4.503 0.974 1.00 0.24 H new ATOM 1213 N LEU A 214 12.674 0.395 -0.040 1.00 0.18 N ATOM 1214 CA LEU A 214 13.937 -0.331 -0.132 1.00 0.22 C ATOM 1215 C LEU A 214 14.702 0.041 -1.394 1.00 0.27 C ATOM 1216 O LEU A 214 15.890 0.358 -1.338 1.00 0.36 O ATOM 1217 CB LEU A 214 13.692 -1.845 -0.126 1.00 0.20 C ATOM 1218 CG LEU A 214 12.971 -2.396 1.106 1.00 0.23 C ATOM 1219 CD1 LEU A 214 12.737 -3.890 0.961 1.00 0.25 C ATOM 1220 CD2 LEU A 214 13.765 -2.107 2.366 1.00 0.32 C ATOM 0 H LEU A 214 11.849 -0.201 -0.101 1.00 0.18 H new ATOM 0 HA LEU A 214 14.533 -0.051 0.737 1.00 0.22 H new ATOM 0 HB2 LEU A 214 13.110 -2.104 -1.011 1.00 0.20 H new ATOM 0 HB3 LEU A 214 14.653 -2.350 -0.218 1.00 0.20 H new ATOM 0 HG LEU A 214 12.005 -1.898 1.187 1.00 0.23 H new ATOM 0 HD11 LEU A 214 12.223 -4.265 1.846 1.00 0.25 H new ATOM 0 HD12 LEU A 214 12.125 -4.079 0.079 1.00 0.25 H new ATOM 0 HD13 LEU A 214 13.695 -4.400 0.854 1.00 0.25 H new ATOM 0 HD21 LEU A 214 13.235 -2.507 3.230 1.00 0.32 H new ATOM 0 HD22 LEU A 214 14.746 -2.576 2.293 1.00 0.32 H new ATOM 0 HD23 LEU A 214 13.885 -1.030 2.481 1.00 0.32 H new ATOM 1232 N THR A 215 14.016 0.008 -2.529 1.00 0.34 N ATOM 1233 CA THR A 215 14.652 0.266 -3.815 1.00 0.43 C ATOM 1234 C THR A 215 15.151 1.712 -3.919 1.00 0.39 C ATOM 1235 O THR A 215 16.178 1.975 -4.548 1.00 0.42 O ATOM 1236 CB THR A 215 13.706 -0.089 -4.992 1.00 0.60 C ATOM 1237 OG1 THR A 215 14.295 0.270 -6.250 1.00 1.48 O ATOM 1238 CG2 THR A 215 12.358 0.592 -4.848 1.00 0.55 C ATOM 0 H THR A 215 13.018 -0.195 -2.586 1.00 0.34 H new ATOM 0 HA THR A 215 15.524 -0.384 -3.882 1.00 0.43 H new ATOM 0 HB THR A 215 13.553 -1.168 -4.965 1.00 0.60 H new ATOM 0 HG1 THR A 215 13.681 0.036 -6.977 1.00 1.48 H new ATOM 0 HG21 THR A 215 11.721 0.321 -5.690 1.00 0.55 H new ATOM 0 HG22 THR A 215 11.886 0.272 -3.919 1.00 0.55 H new ATOM 0 HG23 THR A 215 12.496 1.673 -4.832 1.00 0.55 H new ATOM 1246 N ASN A 216 14.441 2.651 -3.290 1.00 0.39 N ATOM 1247 CA ASN A 216 14.892 4.038 -3.253 1.00 0.44 C ATOM 1248 C ASN A 216 16.056 4.228 -2.283 1.00 0.39 C ATOM 1249 O ASN A 216 16.830 5.177 -2.409 1.00 0.50 O ATOM 1250 CB ASN A 216 13.738 4.963 -2.875 1.00 0.51 C ATOM 1251 CG ASN A 216 12.752 5.146 -4.008 1.00 1.05 C ATOM 1252 OD1 ASN A 216 13.123 5.134 -5.181 1.00 1.85 O ATOM 1253 ND2 ASN A 216 11.485 5.304 -3.665 1.00 1.13 N ATOM 0 H ASN A 216 13.561 2.476 -2.805 1.00 0.39 H new ATOM 0 HA ASN A 216 15.245 4.295 -4.252 1.00 0.44 H new ATOM 0 HB2 ASN A 216 13.219 4.556 -2.007 1.00 0.51 H new ATOM 0 HB3 ASN A 216 14.136 5.935 -2.582 1.00 0.51 H new ATOM 0 HD21 ASN A 216 10.773 5.422 -4.385 1.00 1.13 H new ATOM 0 HD22 ASN A 216 11.220 5.308 -2.680 1.00 1.13 H new ATOM 1260 N GLY A 217 16.171 3.334 -1.310 1.00 0.29 N ATOM 1261 CA GLY A 217 17.299 3.370 -0.398 1.00 0.26 C ATOM 1262 C GLY A 217 17.021 4.151 0.870 1.00 0.31 C ATOM 1263 O GLY A 217 17.814 4.105 1.809 1.00 0.40 O ATOM 0 H GLY A 217 15.503 2.583 -1.135 1.00 0.29 H new ATOM 0 HA2 GLY A 217 17.576 2.349 -0.134 1.00 0.26 H new ATOM 0 HA3 GLY A 217 18.155 3.811 -0.908 1.00 0.26 H new ATOM 1267 N ILE A 218 15.904 4.874 0.896 1.00 0.42 N ATOM 1268 CA ILE A 218 15.520 5.657 2.070 1.00 0.55 C ATOM 1269 C ILE A 218 15.451 4.774 3.315 1.00 0.45 C ATOM 1270 O ILE A 218 16.014 5.107 4.361 1.00 0.55 O ATOM 1271 CB ILE A 218 14.152 6.349 1.865 1.00 0.76 C ATOM 1272 CG1 ILE A 218 14.167 7.198 0.588 1.00 1.00 C ATOM 1273 CG2 ILE A 218 13.789 7.206 3.075 1.00 0.89 C ATOM 1274 CD1 ILE A 218 15.252 8.253 0.575 1.00 2.21 C ATOM 0 H ILE A 218 15.248 4.935 0.117 1.00 0.42 H new ATOM 0 HA ILE A 218 16.285 6.421 2.208 1.00 0.55 H new ATOM 0 HB ILE A 218 13.391 5.576 1.758 1.00 0.76 H new ATOM 0 HG12 ILE A 218 14.299 6.542 -0.273 1.00 1.00 H new ATOM 0 HG13 ILE A 218 13.198 7.684 0.473 1.00 1.00 H new ATOM 0 HG21 ILE A 218 12.823 7.682 2.907 1.00 0.89 H new ATOM 0 HG22 ILE A 218 13.734 6.577 3.963 1.00 0.89 H new ATOM 0 HG23 ILE A 218 14.551 7.972 3.220 1.00 0.89 H new ATOM 0 HD11 ILE A 218 15.202 8.815 -0.358 1.00 2.21 H new ATOM 0 HD12 ILE A 218 15.109 8.932 1.416 1.00 2.21 H new ATOM 0 HD13 ILE A 218 16.227 7.773 0.658 1.00 2.21 H new ATOM 1286 N CYS A 219 14.771 3.645 3.194 1.00 0.39 N ATOM 1287 CA CYS A 219 14.617 2.725 4.307 1.00 0.42 C ATOM 1288 C CYS A 219 15.181 1.364 3.935 1.00 0.35 C ATOM 1289 O CYS A 219 15.096 0.946 2.781 1.00 0.34 O ATOM 1290 CB CYS A 219 13.141 2.595 4.684 1.00 0.53 C ATOM 1291 SG CYS A 219 12.341 4.172 5.068 1.00 0.86 S ATOM 0 H CYS A 219 14.316 3.344 2.332 1.00 0.39 H new ATOM 0 HA CYS A 219 15.165 3.115 5.165 1.00 0.42 H new ATOM 0 HB2 CYS A 219 12.607 2.118 3.862 1.00 0.53 H new ATOM 0 HB3 CYS A 219 13.053 1.935 5.547 1.00 0.53 H new ATOM 0 HG CYS A 219 11.804 4.110 6.250 1.00 0.86 H new ATOM 1297 N LYS A 220 15.771 0.686 4.908 1.00 0.39 N ATOM 1298 CA LYS A 220 16.331 -0.638 4.687 1.00 0.42 C ATOM 1299 C LYS A 220 15.413 -1.698 5.281 1.00 0.36 C ATOM 1300 O LYS A 220 14.457 -1.365 5.981 1.00 0.31 O ATOM 1301 CB LYS A 220 17.721 -0.744 5.318 1.00 0.54 C ATOM 1302 CG LYS A 220 18.708 0.297 4.809 1.00 0.63 C ATOM 1303 CD LYS A 220 20.033 0.239 5.553 1.00 1.57 C ATOM 1304 CE LYS A 220 20.014 1.050 6.847 1.00 2.57 C ATOM 1305 NZ LYS A 220 19.011 0.562 7.833 1.00 3.40 N ATOM 0 H LYS A 220 15.874 1.033 5.862 1.00 0.39 H new ATOM 0 HA LYS A 220 16.420 -0.801 3.613 1.00 0.42 H new ATOM 0 HB2 LYS A 220 17.627 -0.644 6.399 1.00 0.54 H new ATOM 0 HB3 LYS A 220 18.123 -1.738 5.123 1.00 0.54 H new ATOM 0 HG2 LYS A 220 18.883 0.140 3.745 1.00 0.63 H new ATOM 0 HG3 LYS A 220 18.274 1.291 4.918 1.00 0.63 H new ATOM 0 HD2 LYS A 220 20.272 -0.799 5.783 1.00 1.57 H new ATOM 0 HD3 LYS A 220 20.826 0.613 4.905 1.00 1.57 H new ATOM 0 HE2 LYS A 220 21.004 1.020 7.301 1.00 2.57 H new ATOM 0 HE3 LYS A 220 19.803 2.093 6.611 1.00 2.57 H new ATOM 0 HZ1 LYS A 220 19.243 0.933 8.776 1.00 3.40 H new ATOM 0 HZ2 LYS A 220 18.064 0.889 7.555 1.00 3.40 H new ATOM 0 HZ3 LYS A 220 19.025 -0.478 7.857 1.00 3.40 H new ATOM 1319 N VAL A 221 15.690 -2.966 4.997 1.00 0.40 N ATOM 1320 CA VAL A 221 14.891 -4.061 5.542 1.00 0.41 C ATOM 1321 C VAL A 221 14.801 -3.965 7.066 1.00 0.40 C ATOM 1322 O VAL A 221 13.724 -4.113 7.649 1.00 0.39 O ATOM 1323 CB VAL A 221 15.470 -5.441 5.149 1.00 0.50 C ATOM 1324 CG1 VAL A 221 14.655 -6.569 5.768 1.00 0.55 C ATOM 1325 CG2 VAL A 221 15.517 -5.588 3.635 1.00 0.55 C ATOM 0 H VAL A 221 16.458 -3.262 4.395 1.00 0.40 H new ATOM 0 HA VAL A 221 13.893 -3.969 5.114 1.00 0.41 H new ATOM 0 HB VAL A 221 16.487 -5.504 5.536 1.00 0.50 H new ATOM 0 HG11 VAL A 221 15.082 -7.529 5.477 1.00 0.55 H new ATOM 0 HG12 VAL A 221 14.674 -6.478 6.854 1.00 0.55 H new ATOM 0 HG13 VAL A 221 13.625 -6.509 5.417 1.00 0.55 H new ATOM 0 HG21 VAL A 221 15.927 -6.564 3.377 1.00 0.55 H new ATOM 0 HG22 VAL A 221 14.509 -5.499 3.229 1.00 0.55 H new ATOM 0 HG23 VAL A 221 16.149 -4.806 3.213 1.00 0.55 H new ATOM 1335 N ASP A 222 15.927 -3.657 7.697 1.00 0.44 N ATOM 1336 CA ASP A 222 16.004 -3.583 9.155 1.00 0.50 C ATOM 1337 C ASP A 222 15.245 -2.369 9.693 1.00 0.42 C ATOM 1338 O ASP A 222 14.999 -2.269 10.892 1.00 0.43 O ATOM 1339 CB ASP A 222 17.463 -3.556 9.624 1.00 0.68 C ATOM 1340 CG ASP A 222 18.184 -2.276 9.254 1.00 1.28 C ATOM 1341 OD1 ASP A 222 18.416 -2.046 8.049 1.00 2.02 O ATOM 1342 OD2 ASP A 222 18.510 -1.487 10.165 1.00 1.91 O ATOM 0 H ASP A 222 16.806 -3.453 7.221 1.00 0.44 H new ATOM 0 HA ASP A 222 15.529 -4.479 9.555 1.00 0.50 H new ATOM 0 HB2 ASP A 222 17.493 -3.683 10.706 1.00 0.68 H new ATOM 0 HB3 ASP A 222 17.994 -4.403 9.189 1.00 0.68 H new ATOM 1347 N ASP A 223 14.898 -1.441 8.805 1.00 0.38 N ATOM 1348 CA ASP A 223 14.111 -0.265 9.184 1.00 0.37 C ATOM 1349 C ASP A 223 12.623 -0.571 9.089 1.00 0.30 C ATOM 1350 O ASP A 223 11.789 0.180 9.587 1.00 0.31 O ATOM 1351 CB ASP A 223 14.428 0.941 8.291 1.00 0.44 C ATOM 1352 CG ASP A 223 15.861 1.412 8.408 1.00 0.52 C ATOM 1353 OD1 ASP A 223 16.296 1.722 9.538 1.00 0.59 O ATOM 1354 OD2 ASP A 223 16.564 1.465 7.384 1.00 0.61 O ATOM 0 H ASP A 223 15.148 -1.478 7.817 1.00 0.38 H new ATOM 0 HA ASP A 223 14.377 -0.018 10.212 1.00 0.37 H new ATOM 0 HB2 ASP A 223 14.222 0.680 7.253 1.00 0.44 H new ATOM 0 HB3 ASP A 223 13.760 1.762 8.551 1.00 0.44 H new ATOM 1359 N LEU A 224 12.300 -1.689 8.455 1.00 0.28 N ATOM 1360 CA LEU A 224 10.910 -2.067 8.236 1.00 0.28 C ATOM 1361 C LEU A 224 10.436 -3.029 9.314 1.00 0.28 C ATOM 1362 O LEU A 224 9.279 -3.005 9.715 1.00 0.26 O ATOM 1363 CB LEU A 224 10.738 -2.697 6.855 1.00 0.35 C ATOM 1364 CG LEU A 224 11.038 -1.768 5.680 1.00 0.39 C ATOM 1365 CD1 LEU A 224 10.840 -2.502 4.367 1.00 0.49 C ATOM 1366 CD2 LEU A 224 10.153 -0.532 5.749 1.00 0.41 C ATOM 0 H LEU A 224 12.981 -2.351 8.083 1.00 0.28 H new ATOM 0 HA LEU A 224 10.301 -1.164 8.287 1.00 0.28 H new ATOM 0 HB2 LEU A 224 11.390 -3.568 6.786 1.00 0.35 H new ATOM 0 HB3 LEU A 224 9.714 -3.057 6.762 1.00 0.35 H new ATOM 0 HG LEU A 224 12.078 -1.448 5.738 1.00 0.39 H new ATOM 0 HD11 LEU A 224 11.057 -1.829 3.538 1.00 0.49 H new ATOM 0 HD12 LEU A 224 11.512 -3.359 4.324 1.00 0.49 H new ATOM 0 HD13 LEU A 224 9.808 -2.846 4.295 1.00 0.49 H new ATOM 0 HD21 LEU A 224 10.376 0.123 4.906 1.00 0.41 H new ATOM 0 HD22 LEU A 224 9.106 -0.832 5.709 1.00 0.41 H new ATOM 0 HD23 LEU A 224 10.343 -0.000 6.682 1.00 0.41 H new ATOM 1378 N ILE A 225 11.343 -3.879 9.767 1.00 0.37 N ATOM 1379 CA ILE A 225 11.048 -4.823 10.842 1.00 0.42 C ATOM 1380 C ILE A 225 10.459 -4.131 12.094 1.00 0.40 C ATOM 1381 O ILE A 225 9.586 -4.702 12.742 1.00 0.48 O ATOM 1382 CB ILE A 225 12.285 -5.651 11.233 1.00 0.49 C ATOM 1383 CG1 ILE A 225 13.024 -6.089 9.963 1.00 0.56 C ATOM 1384 CG2 ILE A 225 11.871 -6.856 12.073 1.00 0.71 C ATOM 1385 CD1 ILE A 225 14.062 -7.167 10.181 1.00 0.59 C ATOM 0 H ILE A 225 12.296 -3.937 9.407 1.00 0.37 H new ATOM 0 HA ILE A 225 10.289 -5.497 10.445 1.00 0.42 H new ATOM 0 HB ILE A 225 12.958 -5.042 11.836 1.00 0.49 H new ATOM 0 HG12 ILE A 225 12.293 -6.447 9.238 1.00 0.56 H new ATOM 0 HG13 ILE A 225 13.510 -5.219 9.522 1.00 0.56 H new ATOM 0 HG21 ILE A 225 12.756 -7.433 12.343 1.00 0.71 H new ATOM 0 HG22 ILE A 225 11.371 -6.513 12.979 1.00 0.71 H new ATOM 0 HG23 ILE A 225 11.190 -7.484 11.498 1.00 0.71 H new ATOM 0 HD11 ILE A 225 14.534 -7.415 9.230 1.00 0.59 H new ATOM 0 HD12 ILE A 225 14.818 -6.808 10.879 1.00 0.59 H new ATOM 0 HD13 ILE A 225 13.583 -8.056 10.591 1.00 0.59 H new ATOM 1397 N PRO A 226 10.931 -2.917 12.482 1.00 0.36 N ATOM 1398 CA PRO A 226 10.274 -2.113 13.529 1.00 0.39 C ATOM 1399 C PRO A 226 8.764 -1.933 13.313 1.00 0.38 C ATOM 1400 O PRO A 226 8.009 -1.807 14.282 1.00 0.52 O ATOM 1401 CB PRO A 226 10.985 -0.766 13.436 1.00 0.43 C ATOM 1402 CG PRO A 226 12.348 -1.104 12.957 1.00 0.44 C ATOM 1403 CD PRO A 226 12.178 -2.270 12.020 1.00 0.37 C ATOM 0 HA PRO A 226 10.350 -2.598 14.502 1.00 0.39 H new ATOM 0 HB2 PRO A 226 10.476 -0.094 12.745 1.00 0.43 H new ATOM 0 HB3 PRO A 226 11.016 -0.265 14.403 1.00 0.43 H new ATOM 0 HG2 PRO A 226 12.804 -0.256 12.447 1.00 0.44 H new ATOM 0 HG3 PRO A 226 13.002 -1.364 13.790 1.00 0.44 H new ATOM 0 HD2 PRO A 226 12.098 -1.942 10.984 1.00 0.37 H new ATOM 0 HD3 PRO A 226 13.026 -2.953 12.073 1.00 0.37 H new ATOM 1411 N LEU A 227 8.326 -1.923 12.052 1.00 0.29 N ATOM 1412 CA LEU A 227 6.899 -1.816 11.738 1.00 0.35 C ATOM 1413 C LEU A 227 6.191 -3.102 12.157 1.00 0.43 C ATOM 1414 O LEU A 227 5.013 -3.100 12.512 1.00 0.70 O ATOM 1415 CB LEU A 227 6.675 -1.579 10.238 1.00 0.33 C ATOM 1416 CG LEU A 227 7.412 -0.387 9.637 1.00 0.31 C ATOM 1417 CD1 LEU A 227 7.136 -0.308 8.149 1.00 0.33 C ATOM 1418 CD2 LEU A 227 6.989 0.896 10.322 1.00 0.37 C ATOM 0 H LEU A 227 8.935 -1.987 11.236 1.00 0.29 H new ATOM 0 HA LEU A 227 6.492 -0.965 12.284 1.00 0.35 H new ATOM 0 HB2 LEU A 227 6.975 -2.477 9.699 1.00 0.33 H new ATOM 0 HB3 LEU A 227 5.607 -1.446 10.066 1.00 0.33 H new ATOM 0 HG LEU A 227 8.483 -0.520 9.791 1.00 0.31 H new ATOM 0 HD11 LEU A 227 7.665 0.546 7.726 1.00 0.33 H new ATOM 0 HD12 LEU A 227 7.479 -1.223 7.666 1.00 0.33 H new ATOM 0 HD13 LEU A 227 6.065 -0.189 7.983 1.00 0.33 H new ATOM 0 HD21 LEU A 227 7.524 1.737 9.881 1.00 0.37 H new ATOM 0 HD22 LEU A 227 5.916 1.041 10.193 1.00 0.37 H new ATOM 0 HD23 LEU A 227 7.222 0.835 11.385 1.00 0.37 H new ATOM 1430 N ALA A 228 6.940 -4.199 12.098 1.00 0.54 N ATOM 1431 CA ALA A 228 6.446 -5.521 12.467 1.00 0.66 C ATOM 1432 C ALA A 228 6.663 -5.808 13.944 1.00 0.73 C ATOM 1433 O ALA A 228 6.273 -6.860 14.451 1.00 1.47 O ATOM 1434 CB ALA A 228 7.160 -6.581 11.649 1.00 0.76 C ATOM 0 H ALA A 228 7.913 -4.195 11.791 1.00 0.54 H new ATOM 0 HA ALA A 228 5.375 -5.542 12.265 1.00 0.66 H new ATOM 0 HB1 ALA A 228 6.788 -7.567 11.927 1.00 0.76 H new ATOM 0 HB2 ALA A 228 6.974 -6.409 10.589 1.00 0.76 H new ATOM 0 HB3 ALA A 228 8.231 -6.529 11.842 1.00 0.76 H new ATOM 1441 N GLU B 630 -10.464 9.967 -1.314 1.00 1.19 N ATOM 1442 CA GLU B 630 -10.261 9.221 -2.556 1.00 0.73 C ATOM 1443 C GLU B 630 -8.909 8.494 -2.521 1.00 0.58 C ATOM 1444 O GLU B 630 -8.311 8.318 -1.454 1.00 0.83 O ATOM 1445 CB GLU B 630 -10.329 10.164 -3.768 1.00 1.57 C ATOM 1446 CG GLU B 630 -11.072 9.580 -4.966 1.00 2.16 C ATOM 1447 CD GLU B 630 -10.904 10.417 -6.217 1.00 2.88 C ATOM 1448 OE1 GLU B 630 -9.783 10.456 -6.769 1.00 3.66 O ATOM 1449 OE2 GLU B 630 -11.896 11.032 -6.665 1.00 3.07 O ATOM 0 HA GLU B 630 -11.055 8.481 -2.651 1.00 0.73 H new ATOM 0 HB2 GLU B 630 -10.817 11.091 -3.467 1.00 1.57 H new ATOM 0 HB3 GLU B 630 -9.315 10.422 -4.073 1.00 1.57 H new ATOM 0 HG2 GLU B 630 -10.709 8.570 -5.157 1.00 2.16 H new ATOM 0 HG3 GLU B 630 -12.132 9.498 -4.727 1.00 2.16 H new ATOM 1455 N LEU B 631 -8.449 8.061 -3.682 1.00 0.48 N ATOM 1456 CA LEU B 631 -7.177 7.378 -3.826 1.00 0.35 C ATOM 1457 C LEU B 631 -6.542 7.766 -5.142 1.00 0.41 C ATOM 1458 O LEU B 631 -7.237 7.894 -6.149 1.00 0.51 O ATOM 1459 CB LEU B 631 -7.371 5.869 -3.793 1.00 0.31 C ATOM 1460 CG LEU B 631 -7.383 5.255 -2.406 1.00 0.30 C ATOM 1461 CD1 LEU B 631 -7.826 3.807 -2.487 1.00 0.37 C ATOM 1462 CD2 LEU B 631 -6.002 5.345 -1.773 1.00 0.27 C ATOM 0 H LEU B 631 -8.955 8.176 -4.560 1.00 0.48 H new ATOM 0 HA LEU B 631 -6.531 7.670 -2.998 1.00 0.35 H new ATOM 0 HB2 LEU B 631 -8.311 5.628 -4.289 1.00 0.31 H new ATOM 0 HB3 LEU B 631 -6.575 5.403 -4.374 1.00 0.31 H new ATOM 0 HG LEU B 631 -8.086 5.809 -1.784 1.00 0.30 H new ATOM 0 HD11 LEU B 631 -7.832 3.372 -1.488 1.00 0.37 H new ATOM 0 HD12 LEU B 631 -8.829 3.756 -2.911 1.00 0.37 H new ATOM 0 HD13 LEU B 631 -7.136 3.250 -3.121 1.00 0.37 H new ATOM 0 HD21 LEU B 631 -6.028 4.900 -0.778 1.00 0.27 H new ATOM 0 HD22 LEU B 631 -5.283 4.809 -2.392 1.00 0.27 H new ATOM 0 HD23 LEU B 631 -5.705 6.391 -1.695 1.00 0.27 H new ATOM 1474 N PRO B 632 -5.223 7.951 -5.166 1.00 0.41 N ATOM 1475 CA PRO B 632 -4.528 8.228 -6.398 1.00 0.52 C ATOM 1476 C PRO B 632 -4.380 6.971 -7.232 1.00 0.48 C ATOM 1477 O PRO B 632 -4.022 5.902 -6.729 1.00 0.46 O ATOM 1478 CB PRO B 632 -3.168 8.756 -5.982 1.00 0.70 C ATOM 1479 CG PRO B 632 -3.038 8.512 -4.506 1.00 0.56 C ATOM 1480 CD PRO B 632 -4.324 7.895 -4.011 1.00 0.41 C ATOM 0 HA PRO B 632 -5.072 8.944 -7.013 1.00 0.52 H new ATOM 0 HB2 PRO B 632 -2.373 8.249 -6.529 1.00 0.70 H new ATOM 0 HB3 PRO B 632 -3.081 9.819 -6.207 1.00 0.70 H new ATOM 0 HG2 PRO B 632 -2.197 7.849 -4.304 1.00 0.56 H new ATOM 0 HG3 PRO B 632 -2.840 9.447 -3.983 1.00 0.56 H new ATOM 0 HD2 PRO B 632 -4.170 6.869 -3.677 1.00 0.41 H new ATOM 0 HD3 PRO B 632 -4.730 8.448 -3.164 1.00 0.41 H new ATOM 1488 N THR B 633 -4.675 7.131 -8.506 1.00 0.55 N ATOM 1489 CA THR B 633 -4.767 6.028 -9.456 1.00 0.66 C ATOM 1490 C THR B 633 -3.540 5.112 -9.439 1.00 0.56 C ATOM 1491 O THR B 633 -3.677 3.907 -9.645 1.00 0.55 O ATOM 1492 CB THR B 633 -5.024 6.555 -10.884 1.00 0.91 C ATOM 1493 OG1 THR B 633 -5.083 5.469 -11.827 1.00 1.82 O ATOM 1494 CG2 THR B 633 -3.950 7.546 -11.296 1.00 1.32 C ATOM 0 H THR B 633 -4.861 8.043 -8.922 1.00 0.55 H new ATOM 0 HA THR B 633 -5.615 5.421 -9.137 1.00 0.66 H new ATOM 0 HB THR B 633 -5.986 7.067 -10.882 1.00 0.91 H new ATOM 0 HG1 THR B 633 -5.248 5.824 -12.725 1.00 1.82 H new ATOM 0 HG21 THR B 633 -4.153 7.903 -12.306 1.00 1.32 H new ATOM 0 HG22 THR B 633 -3.949 8.390 -10.606 1.00 1.32 H new ATOM 0 HG23 THR B 633 -2.976 7.057 -11.273 1.00 1.32 H new ATOM 1502 N GLU B 634 -2.356 5.676 -9.192 1.00 0.55 N ATOM 1503 CA GLU B 634 -1.128 4.883 -9.084 1.00 0.54 C ATOM 1504 C GLU B 634 -1.301 3.751 -8.080 1.00 0.43 C ATOM 1505 O GLU B 634 -0.928 2.608 -8.341 1.00 0.45 O ATOM 1506 CB GLU B 634 0.053 5.759 -8.648 1.00 0.62 C ATOM 1507 CG GLU B 634 0.541 6.733 -9.706 1.00 1.26 C ATOM 1508 CD GLU B 634 -0.530 7.694 -10.166 1.00 1.30 C ATOM 1509 OE1 GLU B 634 -1.245 8.243 -9.308 1.00 1.65 O ATOM 1510 OE2 GLU B 634 -0.660 7.899 -11.390 1.00 1.70 O ATOM 0 H GLU B 634 -2.221 6.679 -9.063 1.00 0.55 H new ATOM 0 HA GLU B 634 -0.923 4.465 -10.070 1.00 0.54 H new ATOM 0 HB2 GLU B 634 -0.237 6.322 -7.761 1.00 0.62 H new ATOM 0 HB3 GLU B 634 0.881 5.112 -8.359 1.00 0.62 H new ATOM 0 HG2 GLU B 634 1.383 7.300 -9.309 1.00 1.26 H new ATOM 0 HG3 GLU B 634 0.911 6.172 -10.565 1.00 1.26 H new ATOM 1517 N VAL B 635 -1.876 4.087 -6.936 1.00 0.33 N ATOM 1518 CA VAL B 635 -2.079 3.129 -5.863 1.00 0.28 C ATOM 1519 C VAL B 635 -3.003 2.009 -6.310 1.00 0.27 C ATOM 1520 O VAL B 635 -2.631 0.840 -6.265 1.00 0.28 O ATOM 1521 CB VAL B 635 -2.654 3.815 -4.604 1.00 0.28 C ATOM 1522 CG1 VAL B 635 -2.799 2.827 -3.456 1.00 0.32 C ATOM 1523 CG2 VAL B 635 -1.771 4.984 -4.199 1.00 0.35 C ATOM 0 H VAL B 635 -2.213 5.027 -6.727 1.00 0.33 H new ATOM 0 HA VAL B 635 -1.107 2.705 -5.611 1.00 0.28 H new ATOM 0 HB VAL B 635 -3.649 4.191 -4.843 1.00 0.28 H new ATOM 0 HG11 VAL B 635 -3.206 3.339 -2.584 1.00 0.32 H new ATOM 0 HG12 VAL B 635 -3.473 2.022 -3.751 1.00 0.32 H new ATOM 0 HG13 VAL B 635 -1.823 2.410 -3.209 1.00 0.32 H new ATOM 0 HG21 VAL B 635 -2.184 5.461 -3.311 1.00 0.35 H new ATOM 0 HG22 VAL B 635 -0.766 4.623 -3.982 1.00 0.35 H new ATOM 0 HG23 VAL B 635 -1.729 5.707 -5.013 1.00 0.35 H new ATOM 1533 N LEU B 636 -4.196 2.384 -6.745 1.00 0.29 N ATOM 1534 CA LEU B 636 -5.191 1.432 -7.231 1.00 0.33 C ATOM 1535 C LEU B 636 -4.596 0.434 -8.223 1.00 0.34 C ATOM 1536 O LEU B 636 -4.701 -0.783 -8.023 1.00 0.36 O ATOM 1537 CB LEU B 636 -6.353 2.193 -7.868 1.00 0.40 C ATOM 1538 CG LEU B 636 -7.139 3.075 -6.896 1.00 0.47 C ATOM 1539 CD1 LEU B 636 -8.177 3.900 -7.640 1.00 0.57 C ATOM 1540 CD2 LEU B 636 -7.801 2.216 -5.823 1.00 0.51 C ATOM 0 H LEU B 636 -4.505 3.356 -6.772 1.00 0.29 H new ATOM 0 HA LEU B 636 -5.551 0.855 -6.379 1.00 0.33 H new ATOM 0 HB2 LEU B 636 -5.965 2.817 -8.673 1.00 0.40 H new ATOM 0 HB3 LEU B 636 -7.036 1.475 -8.322 1.00 0.40 H new ATOM 0 HG LEU B 636 -6.445 3.762 -6.411 1.00 0.47 H new ATOM 0 HD11 LEU B 636 -8.725 4.520 -6.931 1.00 0.57 H new ATOM 0 HD12 LEU B 636 -7.679 4.537 -8.371 1.00 0.57 H new ATOM 0 HD13 LEU B 636 -8.872 3.234 -8.152 1.00 0.57 H new ATOM 0 HD21 LEU B 636 -8.357 2.855 -5.137 1.00 0.51 H new ATOM 0 HD22 LEU B 636 -8.483 1.508 -6.293 1.00 0.51 H new ATOM 0 HD23 LEU B 636 -7.036 1.670 -5.271 1.00 0.51 H new ATOM 1552 N ASP B 637 -3.949 0.935 -9.273 1.00 0.36 N ATOM 1553 CA ASP B 637 -3.354 0.063 -10.280 1.00 0.41 C ATOM 1554 C ASP B 637 -2.306 -0.848 -9.656 1.00 0.37 C ATOM 1555 O ASP B 637 -2.271 -2.050 -9.926 1.00 0.40 O ATOM 1556 CB ASP B 637 -2.720 0.882 -11.412 1.00 0.49 C ATOM 1557 CG ASP B 637 -3.746 1.478 -12.356 1.00 1.37 C ATOM 1558 OD1 ASP B 637 -4.271 0.734 -13.211 1.00 1.43 O ATOM 1559 OD2 ASP B 637 -4.038 2.689 -12.249 1.00 2.30 O ATOM 0 H ASP B 637 -3.824 1.932 -9.447 1.00 0.36 H new ATOM 0 HA ASP B 637 -4.153 -0.551 -10.697 1.00 0.41 H new ATOM 0 HB2 ASP B 637 -2.121 1.684 -10.981 1.00 0.49 H new ATOM 0 HB3 ASP B 637 -2.040 0.245 -11.978 1.00 0.49 H new ATOM 1564 N LEU B 638 -1.484 -0.285 -8.786 1.00 0.32 N ATOM 1565 CA LEU B 638 -0.389 -1.032 -8.194 1.00 0.31 C ATOM 1566 C LEU B 638 -0.901 -2.134 -7.267 1.00 0.32 C ATOM 1567 O LEU B 638 -0.319 -3.213 -7.197 1.00 0.38 O ATOM 1568 CB LEU B 638 0.549 -0.103 -7.436 1.00 0.29 C ATOM 1569 CG LEU B 638 1.766 -0.792 -6.826 1.00 0.31 C ATOM 1570 CD1 LEU B 638 2.550 -1.541 -7.886 1.00 0.35 C ATOM 1571 CD2 LEU B 638 2.647 0.219 -6.140 1.00 0.33 C ATOM 0 H LEU B 638 -1.554 0.684 -8.475 1.00 0.32 H new ATOM 0 HA LEU B 638 0.163 -1.503 -9.007 1.00 0.31 H new ATOM 0 HB2 LEU B 638 0.892 0.679 -8.114 1.00 0.29 H new ATOM 0 HB3 LEU B 638 -0.011 0.388 -6.640 1.00 0.29 H new ATOM 0 HG LEU B 638 1.417 -1.514 -6.088 1.00 0.31 H new ATOM 0 HD11 LEU B 638 3.413 -2.024 -7.427 1.00 0.35 H new ATOM 0 HD12 LEU B 638 1.912 -2.297 -8.344 1.00 0.35 H new ATOM 0 HD13 LEU B 638 2.889 -0.841 -8.650 1.00 0.35 H new ATOM 0 HD21 LEU B 638 3.512 -0.285 -5.709 1.00 0.33 H new ATOM 0 HD22 LEU B 638 2.983 0.960 -6.865 1.00 0.33 H new ATOM 0 HD23 LEU B 638 2.084 0.715 -5.349 1.00 0.33 H new ATOM 1583 N LEU B 639 -1.995 -1.869 -6.566 1.00 0.29 N ATOM 1584 CA LEU B 639 -2.549 -2.852 -5.644 1.00 0.30 C ATOM 1585 C LEU B 639 -3.064 -4.059 -6.410 1.00 0.33 C ATOM 1586 O LEU B 639 -3.017 -5.187 -5.925 1.00 0.33 O ATOM 1587 CB LEU B 639 -3.696 -2.264 -4.819 1.00 0.30 C ATOM 1588 CG LEU B 639 -3.381 -0.978 -4.060 1.00 0.28 C ATOM 1589 CD1 LEU B 639 -4.564 -0.563 -3.198 1.00 0.31 C ATOM 1590 CD2 LEU B 639 -2.133 -1.150 -3.217 1.00 0.31 C ATOM 0 H LEU B 639 -2.512 -0.991 -6.616 1.00 0.29 H new ATOM 0 HA LEU B 639 -1.748 -3.151 -4.968 1.00 0.30 H new ATOM 0 HB2 LEU B 639 -4.537 -2.073 -5.486 1.00 0.30 H new ATOM 0 HB3 LEU B 639 -4.024 -3.016 -4.101 1.00 0.30 H new ATOM 0 HG LEU B 639 -3.195 -0.186 -4.785 1.00 0.28 H new ATOM 0 HD11 LEU B 639 -4.321 0.356 -2.664 1.00 0.31 H new ATOM 0 HD12 LEU B 639 -5.435 -0.395 -3.832 1.00 0.31 H new ATOM 0 HD13 LEU B 639 -4.785 -1.352 -2.479 1.00 0.31 H new ATOM 0 HD21 LEU B 639 -1.924 -0.223 -2.683 1.00 0.31 H new ATOM 0 HD22 LEU B 639 -2.287 -1.955 -2.499 1.00 0.31 H new ATOM 0 HD23 LEU B 639 -1.289 -1.395 -3.862 1.00 0.31 H new ATOM 1602 N SER B 640 -3.578 -3.810 -7.605 1.00 0.38 N ATOM 1603 CA SER B 640 -4.151 -4.867 -8.411 1.00 0.44 C ATOM 1604 C SER B 640 -3.100 -5.670 -9.180 1.00 0.50 C ATOM 1605 O SER B 640 -3.347 -6.817 -9.528 1.00 0.57 O ATOM 1606 CB SER B 640 -5.182 -4.274 -9.367 1.00 0.53 C ATOM 1607 OG SER B 640 -4.648 -3.191 -10.108 1.00 1.17 O ATOM 0 H SER B 640 -3.608 -2.885 -8.034 1.00 0.38 H new ATOM 0 HA SER B 640 -4.633 -5.571 -7.733 1.00 0.44 H new ATOM 0 HB2 SER B 640 -5.530 -5.047 -10.052 1.00 0.53 H new ATOM 0 HB3 SER B 640 -6.050 -3.935 -8.801 1.00 0.53 H new ATOM 0 HG SER B 640 -3.675 -3.163 -9.992 1.00 1.17 H new ATOM 1613 N VAL B 641 -1.933 -5.085 -9.443 1.00 0.52 N ATOM 1614 CA VAL B 641 -0.922 -5.763 -10.264 1.00 0.57 C ATOM 1615 C VAL B 641 -0.084 -6.774 -9.474 1.00 0.60 C ATOM 1616 O VAL B 641 0.677 -7.542 -10.065 1.00 0.68 O ATOM 1617 CB VAL B 641 0.030 -4.770 -10.965 1.00 0.55 C ATOM 1618 CG1 VAL B 641 -0.735 -3.880 -11.932 1.00 0.57 C ATOM 1619 CG2 VAL B 641 0.795 -3.935 -9.950 1.00 0.49 C ATOM 0 H VAL B 641 -1.663 -4.160 -9.108 1.00 0.52 H new ATOM 0 HA VAL B 641 -1.498 -6.303 -11.016 1.00 0.57 H new ATOM 0 HB VAL B 641 0.756 -5.348 -11.537 1.00 0.55 H new ATOM 0 HG11 VAL B 641 -0.044 -3.188 -12.414 1.00 0.57 H new ATOM 0 HG12 VAL B 641 -1.219 -4.497 -12.689 1.00 0.57 H new ATOM 0 HG13 VAL B 641 -1.491 -3.316 -11.386 1.00 0.57 H new ATOM 0 HG21 VAL B 641 1.458 -3.245 -10.472 1.00 0.49 H new ATOM 0 HG22 VAL B 641 0.091 -3.370 -9.339 1.00 0.49 H new ATOM 0 HG23 VAL B 641 1.386 -4.591 -9.310 1.00 0.49 H new ATOM 1629 N ILE B 642 -0.212 -6.787 -8.154 1.00 0.57 N ATOM 1630 CA ILE B 642 0.564 -7.717 -7.340 1.00 0.62 C ATOM 1631 C ILE B 642 -0.316 -8.806 -6.732 1.00 0.72 C ATOM 1632 O ILE B 642 -1.539 -8.699 -6.770 1.00 0.74 O ATOM 1633 CB ILE B 642 1.337 -7.005 -6.217 1.00 0.53 C ATOM 1634 CG1 ILE B 642 0.404 -6.133 -5.379 1.00 0.49 C ATOM 1635 CG2 ILE B 642 2.476 -6.174 -6.795 1.00 0.53 C ATOM 1636 CD1 ILE B 642 1.089 -5.509 -4.189 1.00 0.55 C ATOM 0 H ILE B 642 -0.836 -6.174 -7.629 1.00 0.57 H new ATOM 0 HA ILE B 642 1.283 -8.176 -8.018 1.00 0.62 H new ATOM 0 HB ILE B 642 1.763 -7.766 -5.564 1.00 0.53 H new ATOM 0 HG12 ILE B 642 -0.009 -5.344 -6.008 1.00 0.49 H new ATOM 0 HG13 ILE B 642 -0.435 -6.737 -5.033 1.00 0.49 H new ATOM 0 HG21 ILE B 642 3.011 -5.678 -5.986 1.00 0.53 H new ATOM 0 HG22 ILE B 642 3.161 -6.824 -7.338 1.00 0.53 H new ATOM 0 HG23 ILE B 642 2.071 -5.425 -7.475 1.00 0.53 H new ATOM 0 HD11 ILE B 642 0.374 -4.902 -3.634 1.00 0.55 H new ATOM 0 HD12 ILE B 642 1.479 -6.294 -3.541 1.00 0.55 H new ATOM 0 HD13 ILE B 642 1.911 -4.880 -4.531 1.00 0.55 H new ATOM 1648 N PRO B 643 0.307 -9.882 -6.199 1.00 0.82 N ATOM 1649 CA PRO B 643 -0.392 -11.024 -5.590 1.00 0.95 C ATOM 1650 C PRO B 643 -1.580 -10.674 -4.700 1.00 0.90 C ATOM 1651 O PRO B 643 -1.632 -9.620 -4.064 1.00 0.81 O ATOM 1652 CB PRO B 643 0.693 -11.663 -4.736 1.00 1.03 C ATOM 1653 CG PRO B 643 1.951 -11.411 -5.483 1.00 1.05 C ATOM 1654 CD PRO B 643 1.770 -10.092 -6.188 1.00 0.83 C ATOM 0 HA PRO B 643 -0.829 -11.649 -6.369 1.00 0.95 H new ATOM 0 HB2 PRO B 643 0.727 -11.220 -3.741 1.00 1.03 H new ATOM 0 HB3 PRO B 643 0.517 -12.731 -4.604 1.00 1.03 H new ATOM 0 HG2 PRO B 643 2.804 -11.375 -4.806 1.00 1.05 H new ATOM 0 HG3 PRO B 643 2.145 -12.210 -6.198 1.00 1.05 H new ATOM 0 HD2 PRO B 643 2.284 -9.287 -5.663 1.00 0.83 H new ATOM 0 HD3 PRO B 643 2.175 -10.123 -7.199 1.00 0.83 H new ATOM 1662 N LYS B 644 -2.527 -11.605 -4.675 1.00 1.06 N ATOM 1663 CA LYS B 644 -3.651 -11.573 -3.750 1.00 1.10 C ATOM 1664 C LYS B 644 -3.161 -11.395 -2.323 1.00 1.06 C ATOM 1665 O LYS B 644 -2.271 -12.115 -1.870 1.00 1.07 O ATOM 1666 CB LYS B 644 -4.454 -12.873 -3.858 1.00 1.25 C ATOM 1667 CG LYS B 644 -5.186 -13.023 -5.181 1.00 1.29 C ATOM 1668 CD LYS B 644 -5.397 -14.482 -5.566 1.00 1.65 C ATOM 1669 CE LYS B 644 -6.438 -15.174 -4.703 1.00 1.87 C ATOM 1670 NZ LYS B 644 -6.647 -16.585 -5.131 1.00 2.25 N ATOM 0 H LYS B 644 -2.535 -12.410 -5.302 1.00 1.06 H new ATOM 0 HA LYS B 644 -4.290 -10.729 -4.011 1.00 1.10 H new ATOM 0 HB2 LYS B 644 -3.780 -13.719 -3.726 1.00 1.25 H new ATOM 0 HB3 LYS B 644 -5.178 -12.913 -3.044 1.00 1.25 H new ATOM 0 HG2 LYS B 644 -6.153 -12.524 -5.117 1.00 1.29 H new ATOM 0 HG3 LYS B 644 -4.619 -12.521 -5.966 1.00 1.29 H new ATOM 0 HD2 LYS B 644 -5.703 -14.537 -6.611 1.00 1.65 H new ATOM 0 HD3 LYS B 644 -4.450 -15.015 -5.483 1.00 1.65 H new ATOM 0 HE2 LYS B 644 -6.122 -15.151 -3.660 1.00 1.87 H new ATOM 0 HE3 LYS B 644 -7.381 -14.631 -4.762 1.00 1.87 H new ATOM 0 HZ1 LYS B 644 -7.486 -16.972 -4.653 1.00 2.25 H new ATOM 0 HZ2 LYS B 644 -6.789 -16.618 -6.161 1.00 2.25 H new ATOM 0 HZ3 LYS B 644 -5.812 -17.152 -4.879 1.00 2.25 H new ATOM 1684 N ARG B 645 -3.754 -10.431 -1.639 1.00 1.06 N ATOM 1685 CA ARG B 645 -3.390 -10.064 -0.262 1.00 1.06 C ATOM 1686 C ARG B 645 -3.381 -11.229 0.744 1.00 1.05 C ATOM 1687 O ARG B 645 -2.986 -11.037 1.890 1.00 1.08 O ATOM 1688 CB ARG B 645 -4.296 -8.934 0.239 1.00 1.16 C ATOM 1689 CG ARG B 645 -5.762 -9.096 -0.130 1.00 1.55 C ATOM 1690 CD ARG B 645 -6.587 -7.922 0.376 1.00 1.72 C ATOM 1691 NE ARG B 645 -7.844 -7.772 -0.357 1.00 2.35 N ATOM 1692 CZ ARG B 645 -8.728 -6.796 -0.134 1.00 2.89 C ATOM 1693 NH1 ARG B 645 -8.557 -5.953 0.880 1.00 2.92 N ATOM 1694 NH2 ARG B 645 -9.792 -6.673 -0.917 1.00 3.87 N ATOM 0 H ARG B 645 -4.514 -9.868 -2.021 1.00 1.06 H new ATOM 0 HA ARG B 645 -2.354 -9.729 -0.317 1.00 1.06 H new ATOM 0 HB2 ARG B 645 -4.212 -8.871 1.324 1.00 1.16 H new ATOM 0 HB3 ARG B 645 -3.934 -7.988 -0.165 1.00 1.16 H new ATOM 0 HG2 ARG B 645 -5.861 -9.174 -1.213 1.00 1.55 H new ATOM 0 HG3 ARG B 645 -6.146 -10.024 0.293 1.00 1.55 H new ATOM 0 HD2 ARG B 645 -6.801 -8.061 1.436 1.00 1.72 H new ATOM 0 HD3 ARG B 645 -6.004 -7.005 0.286 1.00 1.72 H new ATOM 0 HE ARG B 645 -8.059 -8.455 -1.083 1.00 2.35 H new ATOM 0 HH11 ARG B 645 -7.747 -6.050 1.493 1.00 2.92 H new ATOM 0 HH12 ARG B 645 -9.236 -5.210 1.045 1.00 2.92 H new ATOM 0 HH21 ARG B 645 -9.935 -7.324 -1.689 1.00 3.87 H new ATOM 0 HH22 ARG B 645 -10.467 -5.928 -0.747 1.00 3.87 H new ATOM 1708 N GLN B 646 -3.803 -12.423 0.341 1.00 1.11 N ATOM 1709 CA GLN B 646 -3.777 -13.570 1.253 1.00 1.17 C ATOM 1710 C GLN B 646 -2.436 -14.298 1.154 1.00 1.20 C ATOM 1711 O GLN B 646 -2.126 -15.177 1.956 1.00 1.26 O ATOM 1712 CB GLN B 646 -4.928 -14.539 0.969 1.00 1.26 C ATOM 1713 CG GLN B 646 -4.915 -15.138 -0.427 1.00 1.46 C ATOM 1714 CD GLN B 646 -5.987 -16.198 -0.610 1.00 1.99 C ATOM 1715 OE1 GLN B 646 -6.512 -16.379 -1.706 1.00 2.61 O ATOM 1716 NE2 GLN B 646 -6.308 -16.913 0.459 1.00 2.10 N ATOM 0 H GLN B 646 -4.162 -12.624 -0.592 1.00 1.11 H new ATOM 0 HA GLN B 646 -3.902 -13.191 2.267 1.00 1.17 H new ATOM 0 HB2 GLN B 646 -4.894 -15.348 1.699 1.00 1.26 H new ATOM 0 HB3 GLN B 646 -5.872 -14.015 1.118 1.00 1.26 H new ATOM 0 HG2 GLN B 646 -5.062 -14.346 -1.161 1.00 1.46 H new ATOM 0 HG3 GLN B 646 -3.936 -15.577 -0.623 1.00 1.46 H new ATOM 0 HE21 GLN B 646 -5.848 -16.731 1.351 1.00 2.10 H new ATOM 0 HE22 GLN B 646 -7.015 -17.645 0.389 1.00 2.10 H new ATOM 1725 N TYR B 647 -1.659 -13.926 0.143 1.00 1.25 N ATOM 1726 CA TYR B 647 -0.298 -14.430 -0.016 1.00 1.33 C ATOM 1727 C TYR B 647 0.674 -13.648 0.866 1.00 1.38 C ATOM 1728 O TYR B 647 1.877 -13.901 0.860 1.00 1.55 O ATOM 1729 CB TYR B 647 0.150 -14.340 -1.475 1.00 1.39 C ATOM 1730 CG TYR B 647 -0.511 -15.336 -2.401 1.00 1.46 C ATOM 1731 CD1 TYR B 647 -0.626 -16.675 -2.043 1.00 1.56 C ATOM 1732 CD2 TYR B 647 -1.050 -14.935 -3.615 1.00 1.52 C ATOM 1733 CE1 TYR B 647 -1.251 -17.584 -2.876 1.00 1.70 C ATOM 1734 CE2 TYR B 647 -1.681 -15.837 -4.450 1.00 1.64 C ATOM 1735 CZ TYR B 647 -1.675 -17.179 -4.132 1.00 1.74 C ATOM 1736 OH TYR B 647 -2.419 -18.060 -4.899 1.00 1.90 O ATOM 0 H TYR B 647 -1.950 -13.273 -0.584 1.00 1.25 H new ATOM 0 HA TYR B 647 -0.295 -15.476 0.290 1.00 1.33 H new ATOM 0 HB2 TYR B 647 -0.052 -13.334 -1.842 1.00 1.39 H new ATOM 0 HB3 TYR B 647 1.230 -14.484 -1.519 1.00 1.39 H new ATOM 0 HD1 TYR B 647 -0.221 -17.010 -1.100 1.00 1.56 H new ATOM 0 HD2 TYR B 647 -0.975 -13.900 -3.913 1.00 1.52 H new ATOM 0 HE1 TYR B 647 -1.408 -18.602 -2.551 1.00 1.70 H new ATOM 0 HE2 TYR B 647 -2.176 -15.493 -5.346 1.00 1.64 H new ATOM 0 HH TYR B 647 -1.959 -18.223 -5.749 1.00 1.90 H new ATOM 1808 N LEU B 652 4.330 -9.254 7.884 1.00 1.24 N ATOM 1809 CA LEU B 652 3.423 -8.100 7.854 1.00 0.65 C ATOM 1810 C LEU B 652 4.018 -6.862 8.519 1.00 0.61 C ATOM 1811 O LEU B 652 4.618 -6.931 9.590 1.00 1.04 O ATOM 1812 CB LEU B 652 2.070 -8.432 8.492 1.00 1.15 C ATOM 1813 CG LEU B 652 1.233 -9.451 7.726 1.00 1.20 C ATOM 1814 CD1 LEU B 652 -0.017 -9.810 8.507 1.00 2.09 C ATOM 1815 CD2 LEU B 652 0.853 -8.889 6.365 1.00 1.12 C ATOM 0 HA LEU B 652 3.272 -7.869 6.800 1.00 0.65 H new ATOM 0 HB2 LEU B 652 2.243 -8.809 9.500 1.00 1.15 H new ATOM 0 HB3 LEU B 652 1.495 -7.511 8.590 1.00 1.15 H new ATOM 0 HG LEU B 652 1.826 -10.355 7.588 1.00 1.20 H new ATOM 0 HD11 LEU B 652 -0.601 -10.538 7.944 1.00 2.09 H new ATOM 0 HD12 LEU B 652 0.265 -10.237 9.469 1.00 2.09 H new ATOM 0 HD13 LEU B 652 -0.615 -8.913 8.669 1.00 2.09 H new ATOM 0 HD21 LEU B 652 0.255 -9.622 5.823 1.00 1.12 H new ATOM 0 HD22 LEU B 652 0.274 -7.975 6.498 1.00 1.12 H new ATOM 0 HD23 LEU B 652 1.757 -8.667 5.798 1.00 1.12 H new ATOM 1827 N LEU B 653 3.849 -5.728 7.859 1.00 0.41 N ATOM 1828 CA LEU B 653 4.217 -4.443 8.430 1.00 0.31 C ATOM 1829 C LEU B 653 2.949 -3.729 8.858 1.00 0.30 C ATOM 1830 O LEU B 653 2.155 -3.321 8.009 1.00 0.56 O ATOM 1831 CB LEU B 653 4.950 -3.575 7.406 1.00 0.32 C ATOM 1832 CG LEU B 653 6.171 -4.202 6.737 1.00 0.37 C ATOM 1833 CD1 LEU B 653 6.756 -3.218 5.739 1.00 0.44 C ATOM 1834 CD2 LEU B 653 7.220 -4.614 7.763 1.00 0.36 C ATOM 0 H LEU B 653 3.456 -5.672 6.919 1.00 0.41 H new ATOM 0 HA LEU B 653 4.880 -4.611 9.279 1.00 0.31 H new ATOM 0 HB2 LEU B 653 4.241 -3.292 6.628 1.00 0.32 H new ATOM 0 HB3 LEU B 653 5.265 -2.656 7.900 1.00 0.32 H new ATOM 0 HG LEU B 653 5.857 -5.106 6.216 1.00 0.37 H new ATOM 0 HD11 LEU B 653 7.628 -3.662 5.259 1.00 0.44 H new ATOM 0 HD12 LEU B 653 6.008 -2.979 4.983 1.00 0.44 H new ATOM 0 HD13 LEU B 653 7.052 -2.306 6.258 1.00 0.44 H new ATOM 0 HD21 LEU B 653 8.075 -5.056 7.252 1.00 0.36 H new ATOM 0 HD22 LEU B 653 7.546 -3.737 8.323 1.00 0.36 H new ATOM 0 HD23 LEU B 653 6.791 -5.344 8.450 1.00 0.36 H new ATOM 1846 N ASP B 654 2.738 -3.602 10.159 1.00 0.31 N ATOM 1847 CA ASP B 654 1.511 -3.004 10.665 1.00 0.28 C ATOM 1848 C ASP B 654 1.337 -1.569 10.192 1.00 0.23 C ATOM 1849 O ASP B 654 2.207 -0.713 10.360 1.00 0.29 O ATOM 1850 CB ASP B 654 1.442 -3.081 12.187 1.00 0.38 C ATOM 1851 CG ASP B 654 0.775 -4.359 12.648 1.00 1.10 C ATOM 1852 OD1 ASP B 654 1.365 -5.442 12.447 1.00 1.46 O ATOM 1853 OD2 ASP B 654 -0.324 -4.278 13.227 1.00 1.84 O ATOM 0 H ASP B 654 3.395 -3.902 10.879 1.00 0.31 H new ATOM 0 HA ASP B 654 0.686 -3.586 10.255 1.00 0.28 H new ATOM 0 HB2 ASP B 654 2.449 -3.025 12.601 1.00 0.38 H new ATOM 0 HB3 ASP B 654 0.891 -2.223 12.571 1.00 0.38 H new ATOM 1858 N ALA B 655 0.179 -1.360 9.582 1.00 0.22 N ATOM 1859 CA ALA B 655 -0.219 -0.105 8.955 1.00 0.24 C ATOM 1860 C ALA B 655 0.008 1.102 9.845 1.00 0.22 C ATOM 1861 O ALA B 655 0.488 2.131 9.385 1.00 0.28 O ATOM 1862 CB ALA B 655 -1.687 -0.175 8.601 1.00 0.30 C ATOM 0 H ALA B 655 -0.535 -2.084 9.507 1.00 0.22 H new ATOM 0 HA ALA B 655 0.402 0.021 8.068 1.00 0.24 H new ATOM 0 HB1 ALA B 655 -1.993 0.760 8.131 1.00 0.30 H new ATOM 0 HB2 ALA B 655 -1.856 -1.001 7.910 1.00 0.30 H new ATOM 0 HB3 ALA B 655 -2.272 -0.335 9.506 1.00 0.30 H new ATOM 1868 N GLN B 656 -0.352 0.970 11.113 1.00 0.20 N ATOM 1869 CA GLN B 656 -0.322 2.096 12.032 1.00 0.22 C ATOM 1870 C GLN B 656 1.101 2.590 12.206 1.00 0.23 C ATOM 1871 O GLN B 656 1.363 3.793 12.195 1.00 0.31 O ATOM 1872 CB GLN B 656 -0.926 1.686 13.368 1.00 0.25 C ATOM 1873 CG GLN B 656 -2.405 1.353 13.264 1.00 0.35 C ATOM 1874 CD GLN B 656 -3.273 2.583 13.090 1.00 0.89 C ATOM 1875 OE1 GLN B 656 -2.922 3.676 13.536 1.00 1.67 O ATOM 1876 NE2 GLN B 656 -4.424 2.410 12.462 1.00 1.66 N ATOM 0 H GLN B 656 -0.668 0.094 11.528 1.00 0.20 H new ATOM 0 HA GLN B 656 -0.915 2.913 11.622 1.00 0.22 H new ATOM 0 HB2 GLN B 656 -0.389 0.820 13.755 1.00 0.25 H new ATOM 0 HB3 GLN B 656 -0.789 2.493 14.087 1.00 0.25 H new ATOM 0 HG2 GLN B 656 -2.563 0.680 12.421 1.00 0.35 H new ATOM 0 HG3 GLN B 656 -2.716 0.818 14.161 1.00 0.35 H new ATOM 0 HE21 GLN B 656 -4.678 1.488 12.107 1.00 1.66 H new ATOM 0 HE22 GLN B 656 -5.058 3.199 12.332 1.00 1.66 H new ATOM 1885 N LYS B 657 2.015 1.645 12.332 1.00 0.21 N ATOM 1886 CA LYS B 657 3.429 1.952 12.374 1.00 0.26 C ATOM 1887 C LYS B 657 3.834 2.650 11.082 1.00 0.23 C ATOM 1888 O LYS B 657 4.311 3.779 11.095 1.00 0.26 O ATOM 1889 CB LYS B 657 4.259 0.671 12.534 1.00 0.36 C ATOM 1890 CG LYS B 657 4.188 0.001 13.903 1.00 0.44 C ATOM 1891 CD LYS B 657 2.819 -0.573 14.214 1.00 0.79 C ATOM 1892 CE LYS B 657 2.869 -1.486 15.430 1.00 1.31 C ATOM 1893 NZ LYS B 657 3.501 -0.825 16.601 1.00 1.90 N ATOM 0 H LYS B 657 1.798 0.651 12.407 1.00 0.21 H new ATOM 0 HA LYS B 657 3.617 2.602 13.228 1.00 0.26 H new ATOM 0 HB2 LYS B 657 3.933 -0.047 11.782 1.00 0.36 H new ATOM 0 HB3 LYS B 657 5.301 0.907 12.319 1.00 0.36 H new ATOM 0 HG2 LYS B 657 4.929 -0.797 13.949 1.00 0.44 H new ATOM 0 HG3 LYS B 657 4.454 0.728 14.671 1.00 0.44 H new ATOM 0 HD2 LYS B 657 2.114 0.238 14.394 1.00 0.79 H new ATOM 0 HD3 LYS B 657 2.451 -1.130 13.352 1.00 0.79 H new ATOM 0 HE2 LYS B 657 1.857 -1.796 15.692 1.00 1.31 H new ATOM 0 HE3 LYS B 657 3.425 -2.390 15.181 1.00 1.31 H new ATOM 0 HZ1 LYS B 657 3.349 -1.405 17.451 1.00 1.90 H new ATOM 0 HZ2 LYS B 657 4.522 -0.720 16.431 1.00 1.90 H new ATOM 0 HZ3 LYS B 657 3.075 0.113 16.741 1.00 1.90 H new ATOM 1907 N LEU B 658 3.589 1.964 9.972 1.00 0.25 N ATOM 1908 CA LEU B 658 4.022 2.417 8.651 1.00 0.24 C ATOM 1909 C LEU B 658 3.479 3.799 8.285 1.00 0.23 C ATOM 1910 O LEU B 658 4.183 4.593 7.671 1.00 0.24 O ATOM 1911 CB LEU B 658 3.635 1.375 7.592 1.00 0.25 C ATOM 1912 CG LEU B 658 3.954 1.751 6.141 1.00 0.25 C ATOM 1913 CD1 LEU B 658 5.424 2.123 5.992 1.00 0.27 C ATOM 1914 CD2 LEU B 658 3.612 0.598 5.206 1.00 0.27 C ATOM 0 H LEU B 658 3.085 1.078 9.960 1.00 0.25 H new ATOM 0 HA LEU B 658 5.107 2.519 8.682 1.00 0.24 H new ATOM 0 HB2 LEU B 658 4.144 0.440 7.826 1.00 0.25 H new ATOM 0 HB3 LEU B 658 2.565 1.184 7.671 1.00 0.25 H new ATOM 0 HG LEU B 658 3.347 2.616 5.873 1.00 0.25 H new ATOM 0 HD11 LEU B 658 5.629 2.387 4.954 1.00 0.27 H new ATOM 0 HD12 LEU B 658 5.651 2.974 6.634 1.00 0.27 H new ATOM 0 HD13 LEU B 658 6.045 1.275 6.281 1.00 0.27 H new ATOM 0 HD21 LEU B 658 3.844 0.881 4.179 1.00 0.27 H new ATOM 0 HD22 LEU B 658 4.197 -0.280 5.482 1.00 0.27 H new ATOM 0 HD23 LEU B 658 2.550 0.367 5.287 1.00 0.27 H new ATOM 1926 N VAL B 659 2.257 4.106 8.680 1.00 0.24 N ATOM 1927 CA VAL B 659 1.661 5.383 8.319 1.00 0.24 C ATOM 1928 C VAL B 659 2.293 6.517 9.109 1.00 0.24 C ATOM 1929 O VAL B 659 2.724 7.514 8.537 1.00 0.27 O ATOM 1930 CB VAL B 659 0.136 5.392 8.526 1.00 0.25 C ATOM 1931 CG1 VAL B 659 -0.418 6.794 8.351 1.00 0.30 C ATOM 1932 CG2 VAL B 659 -0.527 4.441 7.549 1.00 0.28 C ATOM 0 H VAL B 659 1.663 3.499 9.244 1.00 0.24 H new ATOM 0 HA VAL B 659 1.856 5.531 7.257 1.00 0.24 H new ATOM 0 HB VAL B 659 -0.078 5.062 9.542 1.00 0.25 H new ATOM 0 HG11 VAL B 659 -1.498 6.780 8.501 1.00 0.30 H new ATOM 0 HG12 VAL B 659 0.041 7.460 9.081 1.00 0.30 H new ATOM 0 HG13 VAL B 659 -0.196 7.150 7.345 1.00 0.30 H new ATOM 0 HG21 VAL B 659 -1.606 4.454 7.703 1.00 0.28 H new ATOM 0 HG22 VAL B 659 -0.303 4.752 6.529 1.00 0.28 H new ATOM 0 HG23 VAL B 659 -0.150 3.431 7.711 1.00 0.28 H new ATOM 1942 N ASN B 660 2.368 6.352 10.422 1.00 0.25 N ATOM 1943 CA ASN B 660 2.981 7.364 11.271 1.00 0.28 C ATOM 1944 C ASN B 660 4.464 7.491 10.938 1.00 0.26 C ATOM 1945 O ASN B 660 5.046 8.573 11.021 1.00 0.30 O ATOM 1946 CB ASN B 660 2.780 7.028 12.751 1.00 0.37 C ATOM 1947 CG ASN B 660 1.343 7.227 13.205 1.00 0.80 C ATOM 1948 OD1 ASN B 660 0.942 8.337 13.558 1.00 1.64 O ATOM 1949 ND2 ASN B 660 0.562 6.155 13.216 1.00 0.51 N ATOM 0 H ASN B 660 2.015 5.534 10.919 1.00 0.25 H new ATOM 0 HA ASN B 660 2.497 8.322 11.080 1.00 0.28 H new ATOM 0 HB2 ASN B 660 3.073 5.993 12.928 1.00 0.37 H new ATOM 0 HB3 ASN B 660 3.438 7.653 13.354 1.00 0.37 H new ATOM 0 HD21 ASN B 660 -0.407 6.233 13.524 1.00 0.51 H new ATOM 0 HD22 ASN B 660 0.931 5.252 12.916 1.00 0.51 H new ATOM 1956 N PHE B 661 5.050 6.373 10.538 1.00 0.24 N ATOM 1957 CA PHE B 661 6.434 6.321 10.090 1.00 0.26 C ATOM 1958 C PHE B 661 6.605 7.117 8.791 1.00 0.27 C ATOM 1959 O PHE B 661 7.441 8.010 8.710 1.00 0.30 O ATOM 1960 CB PHE B 661 6.830 4.848 9.889 1.00 0.29 C ATOM 1961 CG PHE B 661 8.262 4.604 9.502 1.00 0.30 C ATOM 1962 CD1 PHE B 661 9.285 4.839 10.408 1.00 0.37 C ATOM 1963 CD2 PHE B 661 8.586 4.154 8.233 1.00 0.30 C ATOM 1964 CE1 PHE B 661 10.604 4.628 10.054 1.00 0.41 C ATOM 1965 CE2 PHE B 661 9.904 3.942 7.874 1.00 0.34 C ATOM 1966 CZ PHE B 661 10.905 4.131 8.785 1.00 0.37 C ATOM 0 H PHE B 661 4.576 5.470 10.515 1.00 0.24 H new ATOM 0 HA PHE B 661 7.085 6.771 10.840 1.00 0.26 H new ATOM 0 HB2 PHE B 661 6.625 4.307 10.813 1.00 0.29 H new ATOM 0 HB3 PHE B 661 6.187 4.420 9.120 1.00 0.29 H new ATOM 0 HD1 PHE B 661 9.048 5.191 11.401 1.00 0.37 H new ATOM 0 HD2 PHE B 661 7.800 3.967 7.516 1.00 0.30 H new ATOM 0 HE1 PHE B 661 11.397 4.846 10.755 1.00 0.41 H new ATOM 0 HE2 PHE B 661 10.144 3.626 6.870 1.00 0.34 H new ATOM 0 HZ PHE B 661 11.926 3.896 8.524 1.00 0.37 H new ATOM 1976 N LEU B 662 5.775 6.812 7.804 1.00 0.27 N ATOM 1977 CA LEU B 662 5.888 7.410 6.470 1.00 0.28 C ATOM 1978 C LEU B 662 5.552 8.896 6.498 1.00 0.27 C ATOM 1979 O LEU B 662 6.215 9.711 5.863 1.00 0.29 O ATOM 1980 CB LEU B 662 4.956 6.690 5.493 1.00 0.29 C ATOM 1981 CG LEU B 662 4.932 7.248 4.067 1.00 0.31 C ATOM 1982 CD1 LEU B 662 6.288 7.093 3.402 1.00 0.38 C ATOM 1983 CD2 LEU B 662 3.855 6.557 3.249 1.00 0.31 C ATOM 0 H LEU B 662 5.007 6.148 7.898 1.00 0.27 H new ATOM 0 HA LEU B 662 6.921 7.300 6.140 1.00 0.28 H new ATOM 0 HB2 LEU B 662 5.247 5.640 5.448 1.00 0.29 H new ATOM 0 HB3 LEU B 662 3.943 6.723 5.894 1.00 0.29 H new ATOM 0 HG LEU B 662 4.701 8.312 4.120 1.00 0.31 H new ATOM 0 HD11 LEU B 662 6.245 7.497 2.390 1.00 0.38 H new ATOM 0 HD12 LEU B 662 7.039 7.634 3.977 1.00 0.38 H new ATOM 0 HD13 LEU B 662 6.554 6.037 3.360 1.00 0.38 H new ATOM 0 HD21 LEU B 662 3.849 6.964 2.238 1.00 0.31 H new ATOM 0 HD22 LEU B 662 4.059 5.487 3.209 1.00 0.31 H new ATOM 0 HD23 LEU B 662 2.883 6.724 3.713 1.00 0.31 H new ATOM 1995 N ASN B 663 4.525 9.227 7.251 1.00 0.29 N ATOM 1996 CA ASN B 663 4.013 10.586 7.314 1.00 0.36 C ATOM 1997 C ASN B 663 4.968 11.522 8.060 1.00 0.37 C ATOM 1998 O ASN B 663 5.340 12.574 7.539 1.00 0.43 O ATOM 1999 CB ASN B 663 2.609 10.538 7.944 1.00 0.56 C ATOM 2000 CG ASN B 663 2.156 11.799 8.662 1.00 1.05 C ATOM 2001 OD1 ASN B 663 2.563 12.917 8.352 1.00 1.93 O ATOM 2002 ND2 ASN B 663 1.267 11.612 9.623 1.00 1.07 N ATOM 0 H ASN B 663 4.019 8.564 7.838 1.00 0.29 H new ATOM 0 HA ASN B 663 3.938 11.004 6.310 1.00 0.36 H new ATOM 0 HB2 ASN B 663 1.888 10.312 7.159 1.00 0.56 H new ATOM 0 HB3 ASN B 663 2.579 9.710 8.652 1.00 0.56 H new ATOM 0 HD21 ASN B 663 0.895 12.411 10.136 1.00 1.07 H new ATOM 0 HD22 ASN B 663 0.954 10.669 9.851 1.00 1.07 H new ATOM 2009 N ASP B 664 5.371 11.147 9.266 1.00 0.38 N ATOM 2010 CA ASP B 664 6.178 12.040 10.100 1.00 0.43 C ATOM 2011 C ASP B 664 7.683 11.788 9.973 1.00 0.43 C ATOM 2012 O ASP B 664 8.476 12.729 9.959 1.00 0.56 O ATOM 2013 CB ASP B 664 5.760 11.921 11.567 1.00 0.50 C ATOM 2014 CG ASP B 664 6.600 12.792 12.480 1.00 0.56 C ATOM 2015 OD1 ASP B 664 6.436 14.028 12.444 1.00 0.62 O ATOM 2016 OD2 ASP B 664 7.438 12.246 13.228 1.00 0.64 O ATOM 0 H ASP B 664 5.158 10.243 9.689 1.00 0.38 H new ATOM 0 HA ASP B 664 5.990 13.050 9.737 1.00 0.43 H new ATOM 0 HB2 ASP B 664 4.711 12.200 11.667 1.00 0.50 H new ATOM 0 HB3 ASP B 664 5.844 10.881 11.883 1.00 0.50 H new ATOM 2021 N GLN B 665 8.075 10.526 9.881 1.00 0.33 N ATOM 2022 CA GLN B 665 9.488 10.161 9.989 1.00 0.34 C ATOM 2023 C GLN B 665 10.152 9.953 8.628 1.00 0.32 C ATOM 2024 O GLN B 665 11.381 9.947 8.529 1.00 0.46 O ATOM 2025 CB GLN B 665 9.637 8.892 10.830 1.00 0.40 C ATOM 2026 CG GLN B 665 9.306 9.076 12.304 1.00 0.53 C ATOM 2027 CD GLN B 665 10.288 9.987 13.015 1.00 1.29 C ATOM 2028 OE1 GLN B 665 11.318 9.534 13.515 1.00 1.58 O ATOM 2029 NE2 GLN B 665 9.966 11.266 13.098 1.00 2.26 N ATOM 0 H GLN B 665 7.443 9.739 9.733 1.00 0.33 H new ATOM 0 HA GLN B 665 9.994 10.997 10.472 1.00 0.34 H new ATOM 0 HB2 GLN B 665 8.989 8.119 10.418 1.00 0.40 H new ATOM 0 HB3 GLN B 665 10.661 8.530 10.742 1.00 0.40 H new ATOM 0 HG2 GLN B 665 8.301 9.488 12.398 1.00 0.53 H new ATOM 0 HG3 GLN B 665 9.299 8.103 12.795 1.00 0.53 H new ATOM 0 HE21 GLN B 665 9.104 11.604 12.671 1.00 2.26 H new ATOM 0 HE22 GLN B 665 10.580 11.916 13.589 1.00 2.26 H new ATOM 2038 N VAL B 666 9.359 9.774 7.583 1.00 0.27 N ATOM 2039 CA VAL B 666 9.911 9.515 6.263 1.00 0.25 C ATOM 2040 C VAL B 666 9.808 10.750 5.380 1.00 0.24 C ATOM 2041 O VAL B 666 8.852 11.519 5.463 1.00 0.27 O ATOM 2042 CB VAL B 666 9.212 8.323 5.559 1.00 0.27 C ATOM 2043 CG1 VAL B 666 9.780 8.090 4.167 1.00 0.33 C ATOM 2044 CG2 VAL B 666 9.341 7.056 6.386 1.00 0.31 C ATOM 0 H VAL B 666 8.340 9.803 7.622 1.00 0.27 H new ATOM 0 HA VAL B 666 10.960 9.257 6.411 1.00 0.25 H new ATOM 0 HB VAL B 666 8.157 8.577 5.462 1.00 0.27 H new ATOM 0 HG11 VAL B 666 9.268 7.248 3.701 1.00 0.33 H new ATOM 0 HG12 VAL B 666 9.634 8.984 3.560 1.00 0.33 H new ATOM 0 HG13 VAL B 666 10.845 7.871 4.241 1.00 0.33 H new ATOM 0 HG21 VAL B 666 8.843 6.234 5.872 1.00 0.31 H new ATOM 0 HG22 VAL B 666 10.395 6.815 6.520 1.00 0.31 H new ATOM 0 HG23 VAL B 666 8.877 7.209 7.360 1.00 0.31 H new ATOM 2054 N GLU B 667 10.817 10.931 4.551 1.00 0.27 N ATOM 2055 CA GLU B 667 10.803 11.958 3.532 1.00 0.34 C ATOM 2056 C GLU B 667 11.106 11.298 2.200 1.00 0.32 C ATOM 2057 O GLU B 667 12.248 10.917 1.935 1.00 0.33 O ATOM 2058 CB GLU B 667 11.822 13.060 3.836 1.00 0.44 C ATOM 2059 CG GLU B 667 11.640 13.698 5.204 1.00 0.60 C ATOM 2060 CD GLU B 667 12.392 15.006 5.346 1.00 1.04 C ATOM 2061 OE1 GLU B 667 13.639 14.991 5.333 1.00 1.72 O ATOM 2062 OE2 GLU B 667 11.730 16.061 5.477 1.00 1.26 O ATOM 0 H GLU B 667 11.669 10.370 4.566 1.00 0.27 H new ATOM 0 HA GLU B 667 9.823 12.434 3.504 1.00 0.34 H new ATOM 0 HB2 GLU B 667 12.827 12.642 3.770 1.00 0.44 H new ATOM 0 HB3 GLU B 667 11.747 13.833 3.071 1.00 0.44 H new ATOM 0 HG2 GLU B 667 10.579 13.873 5.380 1.00 0.60 H new ATOM 0 HG3 GLU B 667 11.980 13.003 5.972 1.00 0.60 H new ATOM 2069 N ILE B 668 10.083 11.128 1.377 1.00 0.34 N ATOM 2070 CA ILE B 668 10.221 10.400 0.129 1.00 0.35 C ATOM 2071 C ILE B 668 11.017 11.214 -0.887 1.00 0.30 C ATOM 2072 O ILE B 668 10.884 12.432 -0.963 1.00 0.30 O ATOM 2073 CB ILE B 668 8.822 10.048 -0.441 1.00 0.45 C ATOM 2074 CG1 ILE B 668 8.122 9.033 0.471 1.00 0.47 C ATOM 2075 CG2 ILE B 668 8.911 9.514 -1.865 1.00 0.51 C ATOM 2076 CD1 ILE B 668 8.880 7.730 0.629 1.00 0.46 C ATOM 0 H ILE B 668 9.145 11.487 1.554 1.00 0.34 H new ATOM 0 HA ILE B 668 10.764 9.476 0.327 1.00 0.35 H new ATOM 0 HB ILE B 668 8.234 10.965 -0.473 1.00 0.45 H new ATOM 0 HG12 ILE B 668 7.978 9.481 1.454 1.00 0.47 H new ATOM 0 HG13 ILE B 668 7.131 8.820 0.069 1.00 0.47 H new ATOM 0 HG21 ILE B 668 7.911 9.279 -2.229 1.00 0.51 H new ATOM 0 HG22 ILE B 668 9.363 10.268 -2.509 1.00 0.51 H new ATOM 0 HG23 ILE B 668 9.523 8.612 -1.878 1.00 0.51 H new ATOM 0 HD11 ILE B 668 8.324 7.063 1.287 1.00 0.46 H new ATOM 0 HD12 ILE B 668 9.001 7.259 -0.346 1.00 0.46 H new ATOM 0 HD13 ILE B 668 9.861 7.930 1.060 1.00 0.46 H new ATOM 2088 N PRO B 669 11.887 10.552 -1.657 1.00 0.37 N ATOM 2089 CA PRO B 669 12.628 11.202 -2.730 1.00 0.43 C ATOM 2090 C PRO B 669 11.742 11.429 -3.955 1.00 0.52 C ATOM 2091 O PRO B 669 10.881 10.608 -4.264 1.00 0.71 O ATOM 2092 CB PRO B 669 13.735 10.191 -3.040 1.00 0.46 C ATOM 2093 CG PRO B 669 13.133 8.872 -2.710 1.00 0.79 C ATOM 2094 CD PRO B 669 12.218 9.119 -1.542 1.00 0.54 C ATOM 0 HA PRO B 669 13.004 12.188 -2.455 1.00 0.43 H new ATOM 0 HB2 PRO B 669 14.036 10.240 -4.086 1.00 0.46 H new ATOM 0 HB3 PRO B 669 14.626 10.382 -2.442 1.00 0.46 H new ATOM 0 HG2 PRO B 669 12.582 8.470 -3.560 1.00 0.79 H new ATOM 0 HG3 PRO B 669 13.903 8.143 -2.456 1.00 0.79 H new ATOM 0 HD2 PRO B 669 11.325 8.496 -1.594 1.00 0.54 H new ATOM 0 HD3 PRO B 669 12.708 8.896 -0.594 1.00 0.54 H new