USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1017 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 644 LYS NZ :NH3+ 174:sc= 1.41 (180deg=1.07) USER MOD Set 1.2: B 647 TYR OH : rot 30:sc= 0.329 USER MOD Set 2.1: A 177 GLN : amide:sc= 0.0265 K(o=0.4,f=-5.5!) USER MOD Set 2.2: A 215 THR OG1 : rot -52:sc= 1.08 USER MOD Set 2.3: A 216 ASN : amide:sc= -0.704 X(o=0.4,f=0.32) USER MOD Set 3.1: A 159 THR OG1 : rot -3:sc= 1.03 USER MOD Set 3.2: A 164 MET CE :methyl -124:sc= -0.444 (180deg=-1.81) USER MOD Set 4.1: A 155 ASN : amide:sc= 0.755 K(o=-0.4,f=-4.6) USER MOD Set 4.2: A 157 ASN : amide:sc= -1.16! C(o=-0.4!,f=-3.6!) USER MOD Set 4.3: A 158 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 180:sc= 0.013 USER MOD Single : A 143 GLN : amide:sc= -0.0279 K(o=-0.028,f=-0.65) USER MOD Single : A 144 LYS NZ :NH3+ 175:sc= 1.35 (180deg=1.18) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 160 THR OG1 : rot 180:sc= -0.0862 USER MOD Single : A 163 MET CE :methyl -166:sc= -0.0895 (180deg=-0.443) USER MOD Single : A 166 SER OG : rot -69:sc= 1.22 USER MOD Single : A 167 SER OG : rot 83:sc= 0.186 USER MOD Single : A 171 LYS NZ :NH3+ -104:sc= 0.0255 (180deg=-0.88) USER MOD Single : A 172 LYS NZ :NH3+ -169:sc= 0.543 (180deg=0.479) USER MOD Single : A 174 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 179 LYS NZ :NH3+ 142:sc= 1.24 (180deg=-0.291!) USER MOD Single : A 182 GLN :FLIP amide:sc= -0.22 F(o=-0.75,f=-0.22) USER MOD Single : A 183 LYS NZ :NH3+ 150:sc= 1.18 (180deg=1.09) USER MOD Single : A 185 GLN : amide:sc= 0.996 K(o=1,f=0) USER MOD Single : A 188 THR OG1 : rot -17:sc= 0.204 USER MOD Single : A 191 HIS : no HE2:sc= -1.71 X(o=-1.7,f=-1.8!) USER MOD Single : A 197 SER OG : rot 141:sc= 1.04 USER MOD Single : A 202 CYS SG : rot 150:sc= 0 USER MOD Single : A 204 GLN : amide:sc= -2.56 K(o=-2.6,f=-10!) USER MOD Single : A 206 SER OG : rot 130:sc= -0.409 USER MOD Single : A 209 THR OG1 : rot 75:sc= 0.146 USER MOD Single : A 219 CYS SG : rot -119:sc= 0.932 USER MOD Single : A 220 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0821) USER MOD Single : B 633 THR OG1 : rot 180:sc= 0.00201 USER MOD Single : B 640 SER OG : rot -27:sc= 0.249 USER MOD Single : B 646 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 656 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : B 657 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 660 ASN : amide:sc= -2.77 K(o=-2.8,f=-3.4!) USER MOD Single : B 663 ASN : amide:sc= -0.41 K(o=-0.41,f=-3.6) USER MOD Single : B 665 GLN :FLIP amide:sc= -0.0313 F(o=-0.54,f=-0.031) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 141 -14.170 -0.241 3.732 1.00 0.92 N ATOM 45 CA LEU A 141 -13.825 -0.222 2.315 1.00 0.75 C ATOM 46 C LEU A 141 -15.057 0.016 1.454 1.00 0.70 C ATOM 47 O LEU A 141 -15.008 0.784 0.507 1.00 0.64 O ATOM 48 CB LEU A 141 -13.135 -1.519 1.885 1.00 0.82 C ATOM 49 CG LEU A 141 -11.803 -1.814 2.579 1.00 0.94 C ATOM 50 CD1 LEU A 141 -11.145 -3.036 1.961 1.00 1.05 C ATOM 51 CD2 LEU A 141 -10.871 -0.612 2.507 1.00 0.88 C ATOM 0 HA LEU A 141 -13.127 0.603 2.169 1.00 0.75 H new ATOM 0 HB2 LEU A 141 -13.814 -2.351 2.071 1.00 0.82 H new ATOM 0 HB3 LEU A 141 -12.964 -1.481 0.809 1.00 0.82 H new ATOM 0 HG LEU A 141 -12.006 -2.020 3.630 1.00 0.94 H new ATOM 0 HD11 LEU A 141 -10.199 -3.234 2.465 1.00 1.05 H new ATOM 0 HD12 LEU A 141 -11.802 -3.898 2.072 1.00 1.05 H new ATOM 0 HD13 LEU A 141 -10.961 -2.854 0.902 1.00 1.05 H new ATOM 0 HD21 LEU A 141 -9.932 -0.849 3.008 1.00 0.88 H new ATOM 0 HD22 LEU A 141 -10.674 -0.366 1.463 1.00 0.88 H new ATOM 0 HD23 LEU A 141 -11.339 0.241 2.998 1.00 0.88 H new ATOM 63 N SER A 142 -16.164 -0.616 1.803 1.00 0.90 N ATOM 64 CA SER A 142 -17.384 -0.508 1.012 1.00 0.97 C ATOM 65 C SER A 142 -17.885 0.938 0.952 1.00 0.95 C ATOM 66 O SER A 142 -18.573 1.323 0.005 1.00 1.05 O ATOM 67 CB SER A 142 -18.461 -1.426 1.592 1.00 1.21 C ATOM 68 OG SER A 142 -18.509 -1.312 3.003 1.00 1.82 O ATOM 0 H SER A 142 -16.246 -1.210 2.628 1.00 0.90 H new ATOM 0 HA SER A 142 -17.159 -0.820 -0.008 1.00 0.97 H new ATOM 0 HB2 SER A 142 -19.432 -1.169 1.168 1.00 1.21 H new ATOM 0 HB3 SER A 142 -18.255 -2.459 1.312 1.00 1.21 H new ATOM 0 HG SER A 142 -19.205 -1.905 3.356 1.00 1.82 H new ATOM 74 N GLN A 143 -17.534 1.734 1.960 1.00 0.98 N ATOM 75 CA GLN A 143 -17.951 3.133 2.007 1.00 1.10 C ATOM 76 C GLN A 143 -16.895 4.071 1.408 1.00 0.95 C ATOM 77 O GLN A 143 -17.205 4.897 0.550 1.00 1.02 O ATOM 78 CB GLN A 143 -18.248 3.540 3.453 1.00 1.41 C ATOM 79 CG GLN A 143 -18.843 4.934 3.596 1.00 1.32 C ATOM 80 CD GLN A 143 -20.216 5.053 2.965 1.00 1.79 C ATOM 81 OE1 GLN A 143 -20.974 4.088 2.904 1.00 2.41 O ATOM 82 NE2 GLN A 143 -20.545 6.243 2.495 1.00 2.29 N ATOM 0 H GLN A 143 -16.964 1.436 2.752 1.00 0.98 H new ATOM 0 HA GLN A 143 -18.854 3.226 1.403 1.00 1.10 H new ATOM 0 HB2 GLN A 143 -18.937 2.816 3.889 1.00 1.41 H new ATOM 0 HB3 GLN A 143 -17.325 3.490 4.030 1.00 1.41 H new ATOM 0 HG2 GLN A 143 -18.911 5.189 4.654 1.00 1.32 H new ATOM 0 HG3 GLN A 143 -18.172 5.660 3.136 1.00 1.32 H new ATOM 0 HE21 GLN A 143 -19.887 7.019 2.565 1.00 2.29 H new ATOM 0 HE22 GLN A 143 -21.457 6.386 2.062 1.00 2.29 H new ATOM 91 N LYS A 144 -15.651 3.945 1.864 1.00 0.84 N ATOM 92 CA LYS A 144 -14.597 4.897 1.496 1.00 0.83 C ATOM 93 C LYS A 144 -13.764 4.431 0.310 1.00 0.74 C ATOM 94 O LYS A 144 -13.302 5.247 -0.484 1.00 0.88 O ATOM 95 CB LYS A 144 -13.671 5.151 2.689 1.00 1.00 C ATOM 96 CG LYS A 144 -14.179 6.200 3.660 1.00 1.12 C ATOM 97 CD LYS A 144 -13.323 6.241 4.914 1.00 1.33 C ATOM 98 CE LYS A 144 -13.550 7.512 5.715 1.00 1.39 C ATOM 99 NZ LYS A 144 -12.802 8.665 5.157 1.00 1.56 N ATOM 0 H LYS A 144 -15.345 3.197 2.487 1.00 0.84 H new ATOM 0 HA LYS A 144 -15.103 5.817 1.204 1.00 0.83 H new ATOM 0 HB2 LYS A 144 -13.526 4.214 3.227 1.00 1.00 H new ATOM 0 HB3 LYS A 144 -12.694 5.460 2.317 1.00 1.00 H new ATOM 0 HG2 LYS A 144 -14.174 7.178 3.180 1.00 1.12 H new ATOM 0 HG3 LYS A 144 -15.213 5.982 3.928 1.00 1.12 H new ATOM 0 HD2 LYS A 144 -13.549 5.375 5.536 1.00 1.33 H new ATOM 0 HD3 LYS A 144 -12.271 6.169 4.638 1.00 1.33 H new ATOM 0 HE2 LYS A 144 -14.615 7.745 5.731 1.00 1.39 H new ATOM 0 HE3 LYS A 144 -13.244 7.348 6.748 1.00 1.39 H new ATOM 0 HZ1 LYS A 144 -13.051 9.527 5.682 1.00 1.56 H new ATOM 0 HZ2 LYS A 144 -11.780 8.491 5.243 1.00 1.56 H new ATOM 0 HZ3 LYS A 144 -13.049 8.787 4.154 1.00 1.56 H new ATOM 113 N PHE A 145 -13.576 3.131 0.181 1.00 0.66 N ATOM 114 CA PHE A 145 -12.677 2.594 -0.831 1.00 0.65 C ATOM 115 C PHE A 145 -13.365 1.491 -1.644 1.00 0.80 C ATOM 116 O PHE A 145 -12.888 0.355 -1.685 1.00 1.08 O ATOM 117 CB PHE A 145 -11.423 2.038 -0.150 1.00 0.54 C ATOM 118 CG PHE A 145 -10.623 3.063 0.610 1.00 0.45 C ATOM 119 CD1 PHE A 145 -10.121 4.192 -0.018 1.00 0.41 C ATOM 120 CD2 PHE A 145 -10.368 2.891 1.958 1.00 0.72 C ATOM 121 CE1 PHE A 145 -9.381 5.124 0.688 1.00 0.50 C ATOM 122 CE2 PHE A 145 -9.626 3.814 2.664 1.00 0.70 C ATOM 123 CZ PHE A 145 -9.133 4.933 2.034 1.00 0.51 C ATOM 0 H PHE A 145 -14.031 2.426 0.761 1.00 0.66 H new ATOM 0 HA PHE A 145 -12.399 3.396 -1.515 1.00 0.65 H new ATOM 0 HB2 PHE A 145 -11.718 1.244 0.536 1.00 0.54 H new ATOM 0 HB3 PHE A 145 -10.784 1.584 -0.907 1.00 0.54 H new ATOM 0 HD1 PHE A 145 -10.310 4.346 -1.070 1.00 0.41 H new ATOM 0 HD2 PHE A 145 -10.756 2.020 2.466 1.00 0.72 H new ATOM 0 HE1 PHE A 145 -8.997 6.001 0.187 1.00 0.50 H new ATOM 0 HE2 PHE A 145 -9.431 3.658 3.715 1.00 0.70 H new ATOM 0 HZ PHE A 145 -8.555 5.658 2.588 1.00 0.51 H new ATOM 133 N PRO A 146 -14.496 1.801 -2.309 1.00 0.95 N ATOM 134 CA PRO A 146 -15.327 0.795 -2.971 1.00 1.20 C ATOM 135 C PRO A 146 -14.779 0.384 -4.331 1.00 1.16 C ATOM 136 O PRO A 146 -15.301 -0.526 -4.975 1.00 1.34 O ATOM 137 CB PRO A 146 -16.690 1.493 -3.135 1.00 1.61 C ATOM 138 CG PRO A 146 -16.536 2.865 -2.549 1.00 1.75 C ATOM 139 CD PRO A 146 -15.063 3.143 -2.483 1.00 1.23 C ATOM 0 HA PRO A 146 -15.372 -0.127 -2.392 1.00 1.20 H new ATOM 0 HB2 PRO A 146 -16.974 1.549 -4.186 1.00 1.61 H new ATOM 0 HB3 PRO A 146 -17.475 0.937 -2.622 1.00 1.61 H new ATOM 0 HG2 PRO A 146 -17.043 3.608 -3.165 1.00 1.75 H new ATOM 0 HG3 PRO A 146 -16.984 2.914 -1.557 1.00 1.75 H new ATOM 0 HD2 PRO A 146 -14.699 3.623 -3.392 1.00 1.23 H new ATOM 0 HD3 PRO A 146 -14.811 3.801 -1.652 1.00 1.23 H new ATOM 147 N GLU A 147 -13.724 1.052 -4.759 1.00 1.10 N ATOM 148 CA GLU A 147 -13.139 0.789 -6.062 1.00 1.30 C ATOM 149 C GLU A 147 -11.773 0.125 -5.931 1.00 1.02 C ATOM 150 O GLU A 147 -10.911 0.270 -6.799 1.00 1.03 O ATOM 151 CB GLU A 147 -13.052 2.085 -6.872 1.00 1.64 C ATOM 152 CG GLU A 147 -12.419 3.250 -6.125 1.00 1.61 C ATOM 153 CD GLU A 147 -12.538 4.552 -6.892 1.00 1.74 C ATOM 154 OE1 GLU A 147 -11.812 4.728 -7.892 1.00 2.18 O ATOM 155 OE2 GLU A 147 -13.347 5.413 -6.490 1.00 1.73 O ATOM 0 H GLU A 147 -13.254 1.782 -4.223 1.00 1.10 H new ATOM 0 HA GLU A 147 -13.786 0.093 -6.596 1.00 1.30 H new ATOM 0 HB2 GLU A 147 -12.477 1.895 -7.779 1.00 1.64 H new ATOM 0 HB3 GLU A 147 -14.056 2.372 -7.185 1.00 1.64 H new ATOM 0 HG2 GLU A 147 -12.897 3.358 -5.151 1.00 1.61 H new ATOM 0 HG3 GLU A 147 -11.367 3.033 -5.941 1.00 1.61 H new ATOM 162 N LEU A 148 -11.584 -0.607 -4.836 1.00 0.87 N ATOM 163 CA LEU A 148 -10.345 -1.342 -4.611 1.00 0.76 C ATOM 164 C LEU A 148 -10.270 -2.585 -5.482 1.00 0.97 C ATOM 165 O LEU A 148 -11.272 -3.265 -5.711 1.00 1.22 O ATOM 166 CB LEU A 148 -10.194 -1.755 -3.145 1.00 0.71 C ATOM 167 CG LEU A 148 -10.006 -0.612 -2.152 1.00 0.56 C ATOM 168 CD1 LEU A 148 -9.740 -1.168 -0.768 1.00 0.62 C ATOM 169 CD2 LEU A 148 -8.868 0.299 -2.590 1.00 0.54 C ATOM 0 H LEU A 148 -12.274 -0.706 -4.091 1.00 0.87 H new ATOM 0 HA LEU A 148 -9.532 -0.666 -4.878 1.00 0.76 H new ATOM 0 HB2 LEU A 148 -11.077 -2.323 -2.854 1.00 0.71 H new ATOM 0 HB3 LEU A 148 -9.341 -2.428 -3.062 1.00 0.71 H new ATOM 0 HG LEU A 148 -10.921 -0.020 -2.123 1.00 0.56 H new ATOM 0 HD11 LEU A 148 -9.607 -0.346 -0.065 1.00 0.62 H new ATOM 0 HD12 LEU A 148 -10.585 -1.781 -0.454 1.00 0.62 H new ATOM 0 HD13 LEU A 148 -8.837 -1.778 -0.788 1.00 0.62 H new ATOM 0 HD21 LEU A 148 -8.751 1.107 -1.868 1.00 0.54 H new ATOM 0 HD22 LEU A 148 -7.943 -0.275 -2.645 1.00 0.54 H new ATOM 0 HD23 LEU A 148 -9.094 0.718 -3.570 1.00 0.54 H new ATOM 181 N PRO A 149 -9.070 -2.889 -5.981 1.00 0.92 N ATOM 182 CA PRO A 149 -8.808 -4.087 -6.762 1.00 1.11 C ATOM 183 C PRO A 149 -8.461 -5.275 -5.866 1.00 1.19 C ATOM 184 O PRO A 149 -8.019 -5.098 -4.730 1.00 1.14 O ATOM 185 CB PRO A 149 -7.600 -3.690 -7.616 1.00 1.17 C ATOM 186 CG PRO A 149 -7.178 -2.324 -7.153 1.00 0.92 C ATOM 187 CD PRO A 149 -7.858 -2.083 -5.842 1.00 0.74 C ATOM 0 HA PRO A 149 -9.672 -4.403 -7.347 1.00 1.11 H new ATOM 0 HB2 PRO A 149 -6.788 -4.408 -7.497 1.00 1.17 H new ATOM 0 HB3 PRO A 149 -7.861 -3.677 -8.674 1.00 1.17 H new ATOM 0 HG2 PRO A 149 -6.095 -2.271 -7.042 1.00 0.92 H new ATOM 0 HG3 PRO A 149 -7.462 -1.564 -7.881 1.00 0.92 H new ATOM 0 HD2 PRO A 149 -7.247 -2.406 -4.999 1.00 0.74 H new ATOM 0 HD3 PRO A 149 -8.084 -1.028 -5.687 1.00 0.74 H new ATOM 195 N SER A 150 -8.658 -6.480 -6.383 1.00 1.35 N ATOM 196 CA SER A 150 -8.499 -7.688 -5.586 1.00 1.45 C ATOM 197 C SER A 150 -7.103 -8.300 -5.733 1.00 1.42 C ATOM 198 O SER A 150 -6.639 -9.012 -4.840 1.00 1.56 O ATOM 199 CB SER A 150 -9.557 -8.706 -5.996 1.00 1.60 C ATOM 200 OG SER A 150 -10.851 -8.116 -6.030 1.00 2.32 O ATOM 0 H SER A 150 -8.929 -6.647 -7.352 1.00 1.35 H new ATOM 0 HA SER A 150 -8.623 -7.415 -4.538 1.00 1.45 H new ATOM 0 HB2 SER A 150 -9.314 -9.112 -6.978 1.00 1.60 H new ATOM 0 HB3 SER A 150 -9.553 -9.541 -5.295 1.00 1.60 H new ATOM 0 HG SER A 150 -11.511 -8.790 -6.297 1.00 2.32 H new ATOM 206 N GLY A 151 -6.433 -8.027 -6.845 1.00 1.29 N ATOM 207 CA GLY A 151 -5.124 -8.604 -7.070 1.00 1.28 C ATOM 208 C GLY A 151 -5.086 -9.506 -8.291 1.00 1.24 C ATOM 209 O GLY A 151 -6.132 -9.909 -8.808 1.00 1.36 O ATOM 0 H GLY A 151 -6.771 -7.419 -7.591 1.00 1.29 H new ATOM 0 HA2 GLY A 151 -4.394 -7.804 -7.191 1.00 1.28 H new ATOM 0 HA3 GLY A 151 -4.827 -9.176 -6.191 1.00 1.28 H new ATOM 213 N ILE A 152 -3.883 -9.827 -8.749 1.00 1.15 N ATOM 214 CA ILE A 152 -3.692 -10.664 -9.934 1.00 1.16 C ATOM 215 C ILE A 152 -3.783 -12.145 -9.594 1.00 1.24 C ATOM 216 O ILE A 152 -3.958 -12.532 -8.433 1.00 1.30 O ATOM 217 CB ILE A 152 -2.310 -10.418 -10.586 1.00 1.08 C ATOM 218 CG1 ILE A 152 -1.201 -10.778 -9.592 1.00 1.05 C ATOM 219 CG2 ILE A 152 -2.182 -8.974 -11.042 1.00 1.06 C ATOM 220 CD1 ILE A 152 0.202 -10.645 -10.137 1.00 1.00 C ATOM 0 H ILE A 152 -3.014 -9.518 -8.314 1.00 1.15 H new ATOM 0 HA ILE A 152 -4.488 -10.390 -10.627 1.00 1.16 H new ATOM 0 HB ILE A 152 -2.213 -11.054 -11.466 1.00 1.08 H new ATOM 0 HG12 ILE A 152 -1.297 -10.139 -8.714 1.00 1.05 H new ATOM 0 HG13 ILE A 152 -1.351 -11.805 -9.257 1.00 1.05 H new ATOM 0 HG21 ILE A 152 -1.204 -8.822 -11.498 1.00 1.06 H new ATOM 0 HG22 ILE A 152 -2.961 -8.753 -11.772 1.00 1.06 H new ATOM 0 HG23 ILE A 152 -2.290 -8.311 -10.184 1.00 1.06 H new ATOM 0 HD11 ILE A 152 0.920 -10.920 -9.364 1.00 1.00 H new ATOM 0 HD12 ILE A 152 0.323 -11.305 -10.996 1.00 1.00 H new ATOM 0 HD13 ILE A 152 0.377 -9.614 -10.444 1.00 1.00 H new ATOM 232 N ASP A 153 -3.692 -12.962 -10.629 1.00 1.33 N ATOM 233 CA ASP A 153 -3.509 -14.395 -10.468 1.00 1.40 C ATOM 234 C ASP A 153 -2.017 -14.696 -10.479 1.00 1.38 C ATOM 235 O ASP A 153 -1.257 -14.070 -11.219 1.00 1.40 O ATOM 236 CB ASP A 153 -4.217 -15.184 -11.580 1.00 1.56 C ATOM 237 CG ASP A 153 -3.562 -15.033 -12.942 1.00 2.38 C ATOM 238 OD1 ASP A 153 -3.790 -14.001 -13.612 1.00 3.20 O ATOM 239 OD2 ASP A 153 -2.823 -15.951 -13.355 1.00 2.83 O ATOM 0 H ASP A 153 -3.742 -12.654 -11.600 1.00 1.33 H new ATOM 0 HA ASP A 153 -3.952 -14.704 -9.521 1.00 1.40 H new ATOM 0 HB2 ASP A 153 -4.236 -16.240 -11.310 1.00 1.56 H new ATOM 0 HB3 ASP A 153 -5.254 -14.853 -11.646 1.00 1.56 H new ATOM 244 N VAL A 154 -1.592 -15.631 -9.645 1.00 1.41 N ATOM 245 CA VAL A 154 -0.174 -15.918 -9.491 1.00 1.39 C ATOM 246 C VAL A 154 0.058 -17.416 -9.567 1.00 1.51 C ATOM 247 O VAL A 154 -0.726 -18.196 -9.025 1.00 1.60 O ATOM 248 CB VAL A 154 0.368 -15.389 -8.139 1.00 1.31 C ATOM 249 CG1 VAL A 154 1.888 -15.351 -8.131 1.00 1.31 C ATOM 250 CG2 VAL A 154 -0.199 -14.016 -7.829 1.00 1.18 C ATOM 0 H VAL A 154 -2.206 -16.203 -9.065 1.00 1.41 H new ATOM 0 HA VAL A 154 0.357 -15.413 -10.298 1.00 1.39 H new ATOM 0 HB VAL A 154 0.044 -16.080 -7.361 1.00 1.31 H new ATOM 0 HG11 VAL A 154 2.238 -14.975 -7.169 1.00 1.31 H new ATOM 0 HG12 VAL A 154 2.278 -16.356 -8.292 1.00 1.31 H new ATOM 0 HG13 VAL A 154 2.240 -14.694 -8.926 1.00 1.31 H new ATOM 0 HG21 VAL A 154 0.196 -13.666 -6.875 1.00 1.18 H new ATOM 0 HG22 VAL A 154 0.085 -13.319 -8.617 1.00 1.18 H new ATOM 0 HG23 VAL A 154 -1.286 -14.076 -7.771 1.00 1.18 H new ATOM 260 N ASN A 155 1.123 -17.823 -10.237 1.00 1.59 N ATOM 261 CA ASN A 155 1.428 -19.236 -10.363 1.00 1.69 C ATOM 262 C ASN A 155 2.294 -19.666 -9.185 1.00 1.65 C ATOM 263 O ASN A 155 3.515 -19.810 -9.298 1.00 1.66 O ATOM 264 CB ASN A 155 2.125 -19.505 -11.699 1.00 1.79 C ATOM 265 CG ASN A 155 2.297 -20.982 -11.973 1.00 2.07 C ATOM 266 OD1 ASN A 155 1.536 -21.808 -11.469 1.00 2.69 O ATOM 267 ND2 ASN A 155 3.287 -21.327 -12.784 1.00 2.17 N ATOM 0 H ASN A 155 1.786 -17.200 -10.698 1.00 1.59 H new ATOM 0 HA ASN A 155 0.508 -19.820 -10.348 1.00 1.69 H new ATOM 0 HB2 ASN A 155 1.546 -19.054 -12.505 1.00 1.79 H new ATOM 0 HB3 ASN A 155 3.102 -19.022 -11.699 1.00 1.79 H new ATOM 0 HD21 ASN A 155 3.441 -22.309 -13.012 1.00 2.17 H new ATOM 0 HD22 ASN A 155 3.895 -20.610 -13.180 1.00 2.17 H new ATOM 274 N ILE A 156 1.643 -19.899 -8.056 1.00 1.64 N ATOM 275 CA ILE A 156 2.341 -20.083 -6.791 1.00 1.62 C ATOM 276 C ILE A 156 2.897 -21.493 -6.623 1.00 1.69 C ATOM 277 O ILE A 156 3.212 -21.917 -5.513 1.00 1.73 O ATOM 278 CB ILE A 156 1.436 -19.723 -5.596 1.00 1.63 C ATOM 279 CG1 ILE A 156 0.110 -20.487 -5.671 1.00 1.74 C ATOM 280 CG2 ILE A 156 1.192 -18.220 -5.565 1.00 1.51 C ATOM 281 CD1 ILE A 156 -0.849 -20.159 -4.543 1.00 1.80 C ATOM 0 H ILE A 156 0.627 -19.966 -7.989 1.00 1.64 H new ATOM 0 HA ILE A 156 3.190 -19.400 -6.811 1.00 1.62 H new ATOM 0 HB ILE A 156 1.939 -20.015 -4.674 1.00 1.63 H new ATOM 0 HG12 ILE A 156 -0.373 -20.265 -6.623 1.00 1.74 H new ATOM 0 HG13 ILE A 156 0.317 -21.557 -5.660 1.00 1.74 H new ATOM 0 HG21 ILE A 156 0.552 -17.973 -4.718 1.00 1.51 H new ATOM 0 HG22 ILE A 156 2.144 -17.699 -5.465 1.00 1.51 H new ATOM 0 HG23 ILE A 156 0.705 -17.911 -6.490 1.00 1.51 H new ATOM 0 HD11 ILE A 156 -1.765 -20.738 -4.664 1.00 1.80 H new ATOM 0 HD12 ILE A 156 -0.386 -20.407 -3.588 1.00 1.80 H new ATOM 0 HD13 ILE A 156 -1.087 -19.095 -4.565 1.00 1.80 H new ATOM 293 N ASN A 157 3.030 -22.217 -7.726 1.00 1.73 N ATOM 294 CA ASN A 157 3.670 -23.522 -7.687 1.00 1.77 C ATOM 295 C ASN A 157 5.153 -23.377 -8.026 1.00 1.79 C ATOM 296 O ASN A 157 5.961 -24.250 -7.713 1.00 1.77 O ATOM 297 CB ASN A 157 2.977 -24.513 -8.640 1.00 1.92 C ATOM 298 CG ASN A 157 3.660 -24.633 -9.993 1.00 2.12 C ATOM 299 OD1 ASN A 157 4.541 -25.469 -10.184 1.00 2.43 O ATOM 300 ND2 ASN A 157 3.250 -23.819 -10.946 1.00 2.67 N ATOM 0 H ASN A 157 2.707 -21.926 -8.649 1.00 1.73 H new ATOM 0 HA ASN A 157 3.577 -23.927 -6.679 1.00 1.77 H new ATOM 0 HB2 ASN A 157 2.946 -25.496 -8.169 1.00 1.92 H new ATOM 0 HB3 ASN A 157 1.944 -24.198 -8.790 1.00 1.92 H new ATOM 0 HD21 ASN A 157 3.666 -23.872 -11.876 1.00 2.67 H new ATOM 0 HD22 ASN A 157 2.517 -23.137 -10.753 1.00 2.67 H new ATOM 307 N MET A 158 5.512 -22.251 -8.644 1.00 1.90 N ATOM 308 CA MET A 158 6.901 -21.988 -9.021 1.00 2.03 C ATOM 309 C MET A 158 7.309 -20.577 -8.604 1.00 2.06 C ATOM 310 O MET A 158 8.482 -20.305 -8.359 1.00 2.54 O ATOM 311 CB MET A 158 7.101 -22.151 -10.529 1.00 2.22 C ATOM 312 CG MET A 158 6.916 -23.575 -11.020 1.00 2.49 C ATOM 313 SD MET A 158 7.134 -23.737 -12.802 1.00 2.73 S ATOM 314 CE MET A 158 6.720 -25.466 -13.026 1.00 3.33 C ATOM 0 H MET A 158 4.860 -21.507 -8.894 1.00 1.90 H new ATOM 0 HA MET A 158 7.528 -22.714 -8.503 1.00 2.03 H new ATOM 0 HB2 MET A 158 6.398 -21.502 -11.052 1.00 2.22 H new ATOM 0 HB3 MET A 158 8.103 -21.813 -10.792 1.00 2.22 H new ATOM 0 HG2 MET A 158 7.628 -24.225 -10.511 1.00 2.49 H new ATOM 0 HG3 MET A 158 5.919 -23.921 -10.748 1.00 2.49 H new ATOM 0 HE1 MET A 158 6.806 -25.727 -14.081 1.00 3.33 H new ATOM 0 HE2 MET A 158 7.404 -26.082 -12.442 1.00 3.33 H new ATOM 0 HE3 MET A 158 5.698 -25.642 -12.691 1.00 3.33 H new ATOM 324 N THR A 159 6.327 -19.689 -8.508 1.00 1.70 N ATOM 325 CA THR A 159 6.586 -18.312 -8.113 1.00 1.67 C ATOM 326 C THR A 159 5.850 -17.983 -6.823 1.00 1.55 C ATOM 327 O THR A 159 4.637 -18.152 -6.728 1.00 1.48 O ATOM 328 CB THR A 159 6.170 -17.300 -9.205 1.00 1.68 C ATOM 329 OG1 THR A 159 4.814 -17.520 -9.606 1.00 1.80 O ATOM 330 CG2 THR A 159 7.077 -17.401 -10.419 1.00 1.69 C ATOM 0 H THR A 159 5.347 -19.898 -8.698 1.00 1.70 H new ATOM 0 HA THR A 159 7.662 -18.225 -7.963 1.00 1.67 H new ATOM 0 HB THR A 159 6.263 -16.301 -8.779 1.00 1.68 H new ATOM 0 HG1 THR A 159 4.457 -18.303 -9.137 1.00 1.80 H new ATOM 0 HG21 THR A 159 6.761 -16.678 -11.171 1.00 1.69 H new ATOM 0 HG22 THR A 159 8.105 -17.191 -10.124 1.00 1.69 H new ATOM 0 HG23 THR A 159 7.017 -18.407 -10.835 1.00 1.69 H new ATOM 338 N THR A 160 6.590 -17.538 -5.828 1.00 1.57 N ATOM 339 CA THR A 160 5.995 -17.146 -4.568 1.00 1.48 C ATOM 340 C THR A 160 5.458 -15.721 -4.657 1.00 1.30 C ATOM 341 O THR A 160 6.112 -14.851 -5.242 1.00 1.25 O ATOM 342 CB THR A 160 7.010 -17.266 -3.419 1.00 1.57 C ATOM 343 OG1 THR A 160 8.273 -16.735 -3.835 1.00 1.57 O ATOM 344 CG2 THR A 160 7.176 -18.717 -2.986 1.00 1.87 C ATOM 0 H THR A 160 7.604 -17.439 -5.868 1.00 1.57 H new ATOM 0 HA THR A 160 5.165 -17.821 -4.358 1.00 1.48 H new ATOM 0 HB THR A 160 6.636 -16.697 -2.568 1.00 1.57 H new ATOM 0 HG1 THR A 160 8.918 -16.811 -3.101 1.00 1.57 H new ATOM 0 HG21 THR A 160 7.899 -18.773 -2.172 1.00 1.87 H new ATOM 0 HG22 THR A 160 6.217 -19.107 -2.647 1.00 1.87 H new ATOM 0 HG23 THR A 160 7.531 -19.310 -3.829 1.00 1.87 H new ATOM 352 N PRO A 161 4.256 -15.472 -4.106 1.00 1.25 N ATOM 353 CA PRO A 161 3.556 -14.190 -4.266 1.00 1.10 C ATOM 354 C PRO A 161 4.448 -12.985 -3.992 1.00 1.04 C ATOM 355 O PRO A 161 4.530 -12.062 -4.806 1.00 0.96 O ATOM 356 CB PRO A 161 2.434 -14.269 -3.231 1.00 1.13 C ATOM 357 CG PRO A 161 2.164 -15.725 -3.074 1.00 1.37 C ATOM 358 CD PRO A 161 3.483 -16.421 -3.279 1.00 1.35 C ATOM 0 HA PRO A 161 3.209 -14.049 -5.289 1.00 1.10 H new ATOM 0 HB2 PRO A 161 2.735 -13.818 -2.285 1.00 1.13 H new ATOM 0 HB3 PRO A 161 1.545 -13.736 -3.569 1.00 1.13 H new ATOM 0 HG2 PRO A 161 1.759 -15.941 -2.085 1.00 1.37 H new ATOM 0 HG3 PRO A 161 1.427 -16.065 -3.802 1.00 1.37 H new ATOM 0 HD2 PRO A 161 3.981 -16.623 -2.331 1.00 1.35 H new ATOM 0 HD3 PRO A 161 3.356 -17.379 -3.783 1.00 1.35 H new ATOM 366 N ALA A 162 5.147 -13.027 -2.864 1.00 1.12 N ATOM 367 CA ALA A 162 5.970 -11.911 -2.419 1.00 1.15 C ATOM 368 C ALA A 162 7.118 -11.621 -3.388 1.00 1.12 C ATOM 369 O ALA A 162 7.516 -10.473 -3.551 1.00 1.08 O ATOM 370 CB ALA A 162 6.512 -12.183 -1.024 1.00 1.37 C ATOM 0 H ALA A 162 5.159 -13.831 -2.236 1.00 1.12 H new ATOM 0 HA ALA A 162 5.335 -11.025 -2.393 1.00 1.15 H new ATOM 0 HB1 ALA A 162 7.126 -11.342 -0.702 1.00 1.37 H new ATOM 0 HB2 ALA A 162 5.682 -12.313 -0.330 1.00 1.37 H new ATOM 0 HB3 ALA A 162 7.118 -13.089 -1.039 1.00 1.37 H new ATOM 376 N MET A 163 7.625 -12.651 -4.061 1.00 1.16 N ATOM 377 CA MET A 163 8.756 -12.457 -4.963 1.00 1.24 C ATOM 378 C MET A 163 8.308 -11.731 -6.220 1.00 1.08 C ATOM 379 O MET A 163 9.027 -10.879 -6.747 1.00 1.04 O ATOM 380 CB MET A 163 9.429 -13.782 -5.327 1.00 1.46 C ATOM 381 CG MET A 163 10.255 -14.380 -4.201 1.00 2.02 C ATOM 382 SD MET A 163 11.479 -13.233 -3.529 1.00 2.40 S ATOM 383 CE MET A 163 12.381 -12.783 -5.012 1.00 2.50 C ATOM 0 H MET A 163 7.279 -13.609 -4.002 1.00 1.16 H new ATOM 0 HA MET A 163 9.493 -11.848 -4.440 1.00 1.24 H new ATOM 0 HB2 MET A 163 8.663 -14.499 -5.623 1.00 1.46 H new ATOM 0 HB3 MET A 163 10.072 -13.626 -6.193 1.00 1.46 H new ATOM 0 HG2 MET A 163 9.588 -14.700 -3.400 1.00 2.02 H new ATOM 0 HG3 MET A 163 10.764 -15.272 -4.567 1.00 2.02 H new ATOM 0 HE1 MET A 163 13.310 -12.285 -4.736 1.00 2.50 H new ATOM 0 HE2 MET A 163 12.607 -13.681 -5.587 1.00 2.50 H new ATOM 0 HE3 MET A 163 11.774 -12.109 -5.616 1.00 2.50 H new ATOM 393 N MET A 164 7.112 -12.060 -6.698 1.00 1.04 N ATOM 394 CA MET A 164 6.527 -11.311 -7.795 1.00 0.97 C ATOM 395 C MET A 164 6.223 -9.896 -7.333 1.00 0.83 C ATOM 396 O MET A 164 6.366 -8.944 -8.095 1.00 0.85 O ATOM 397 CB MET A 164 5.252 -11.972 -8.325 1.00 1.04 C ATOM 398 CG MET A 164 5.501 -13.153 -9.255 1.00 1.06 C ATOM 399 SD MET A 164 4.031 -13.592 -10.206 1.00 1.71 S ATOM 400 CE MET A 164 4.725 -14.732 -11.401 1.00 1.81 C ATOM 0 H MET A 164 6.540 -12.828 -6.347 1.00 1.04 H new ATOM 0 HA MET A 164 7.248 -11.292 -8.612 1.00 0.97 H new ATOM 0 HB2 MET A 164 4.653 -12.310 -7.479 1.00 1.04 H new ATOM 0 HB3 MET A 164 4.662 -11.224 -8.855 1.00 1.04 H new ATOM 0 HG2 MET A 164 6.315 -12.910 -9.938 1.00 1.06 H new ATOM 0 HG3 MET A 164 5.823 -14.014 -8.669 1.00 1.06 H new ATOM 0 HE1 MET A 164 4.496 -14.386 -12.409 1.00 1.81 H new ATOM 0 HE2 MET A 164 5.806 -14.782 -11.271 1.00 1.81 H new ATOM 0 HE3 MET A 164 4.295 -15.723 -11.251 1.00 1.81 H new ATOM 410 N ILE A 165 5.824 -9.766 -6.067 1.00 0.75 N ATOM 411 CA ILE A 165 5.570 -8.459 -5.472 1.00 0.65 C ATOM 412 C ILE A 165 6.782 -7.553 -5.611 1.00 0.62 C ATOM 413 O ILE A 165 6.645 -6.373 -5.951 1.00 0.56 O ATOM 414 CB ILE A 165 5.183 -8.555 -3.976 1.00 0.69 C ATOM 415 CG1 ILE A 165 3.781 -9.144 -3.822 1.00 0.74 C ATOM 416 CG2 ILE A 165 5.269 -7.189 -3.304 1.00 0.68 C ATOM 417 CD1 ILE A 165 3.328 -9.275 -2.383 1.00 0.90 C ATOM 0 H ILE A 165 5.670 -10.552 -5.436 1.00 0.75 H new ATOM 0 HA ILE A 165 4.726 -8.036 -6.018 1.00 0.65 H new ATOM 0 HB ILE A 165 5.892 -9.220 -3.483 1.00 0.69 H new ATOM 0 HG12 ILE A 165 3.072 -8.516 -4.361 1.00 0.74 H new ATOM 0 HG13 ILE A 165 3.756 -10.127 -4.292 1.00 0.74 H new ATOM 0 HG21 ILE A 165 4.993 -7.282 -2.254 1.00 0.68 H new ATOM 0 HG22 ILE A 165 6.288 -6.810 -3.379 1.00 0.68 H new ATOM 0 HG23 ILE A 165 4.588 -6.497 -3.799 1.00 0.68 H new ATOM 0 HD11 ILE A 165 2.325 -9.700 -2.355 1.00 0.90 H new ATOM 0 HD12 ILE A 165 4.014 -9.928 -1.844 1.00 0.90 H new ATOM 0 HD13 ILE A 165 3.319 -8.291 -1.913 1.00 0.90 H new ATOM 429 N SER A 166 7.981 -8.100 -5.421 1.00 0.71 N ATOM 430 CA SER A 166 9.172 -7.281 -5.445 1.00 0.73 C ATOM 431 C SER A 166 9.482 -6.935 -6.893 1.00 0.65 C ATOM 432 O SER A 166 9.590 -5.769 -7.249 1.00 0.65 O ATOM 433 CB SER A 166 10.348 -8.029 -4.807 1.00 0.87 C ATOM 434 OG SER A 166 9.984 -8.580 -3.554 1.00 1.94 O ATOM 0 H SER A 166 8.144 -9.093 -5.252 1.00 0.71 H new ATOM 0 HA SER A 166 9.010 -6.368 -4.872 1.00 0.73 H new ATOM 0 HB2 SER A 166 10.682 -8.824 -5.474 1.00 0.87 H new ATOM 0 HB3 SER A 166 11.189 -7.348 -4.677 1.00 0.87 H new ATOM 0 HG SER A 166 9.850 -7.858 -2.906 1.00 1.94 H new ATOM 440 N SER A 167 9.588 -7.968 -7.730 1.00 0.70 N ATOM 441 CA SER A 167 9.787 -7.811 -9.172 1.00 0.63 C ATOM 442 C SER A 167 8.744 -6.888 -9.813 1.00 0.50 C ATOM 443 O SER A 167 8.986 -6.305 -10.869 1.00 0.71 O ATOM 444 CB SER A 167 9.742 -9.186 -9.842 1.00 0.78 C ATOM 445 OG SER A 167 10.684 -10.070 -9.256 1.00 1.37 O ATOM 0 H SER A 167 9.538 -8.940 -7.426 1.00 0.70 H new ATOM 0 HA SER A 167 10.761 -7.346 -9.321 1.00 0.63 H new ATOM 0 HB2 SER A 167 8.740 -9.605 -9.752 1.00 0.78 H new ATOM 0 HB3 SER A 167 9.950 -9.082 -10.907 1.00 0.78 H new ATOM 0 HG SER A 167 10.299 -10.469 -8.448 1.00 1.37 H new ATOM 451 N GLU A 168 7.624 -6.688 -9.135 1.00 0.56 N ATOM 452 CA GLU A 168 6.519 -5.961 -9.738 1.00 0.44 C ATOM 453 C GLU A 168 6.723 -4.477 -9.503 1.00 0.34 C ATOM 454 O GLU A 168 6.539 -3.648 -10.398 1.00 0.48 O ATOM 455 CB GLU A 168 5.173 -6.400 -9.162 1.00 0.53 C ATOM 456 CG GLU A 168 3.997 -5.930 -9.998 1.00 0.95 C ATOM 457 CD GLU A 168 4.215 -6.195 -11.472 1.00 1.02 C ATOM 458 OE1 GLU A 168 4.057 -7.352 -11.909 1.00 1.26 O ATOM 459 OE2 GLU A 168 4.575 -5.246 -12.201 1.00 1.21 O ATOM 0 H GLU A 168 7.458 -7.013 -8.183 1.00 0.56 H new ATOM 0 HA GLU A 168 6.503 -6.177 -10.806 1.00 0.44 H new ATOM 0 HB2 GLU A 168 5.151 -7.487 -9.090 1.00 0.53 H new ATOM 0 HB3 GLU A 168 5.072 -6.011 -8.149 1.00 0.53 H new ATOM 0 HG2 GLU A 168 3.090 -6.437 -9.668 1.00 0.95 H new ATOM 0 HG3 GLU A 168 3.841 -4.863 -9.839 1.00 0.95 H new ATOM 466 N LEU A 169 7.129 -4.160 -8.289 1.00 0.36 N ATOM 467 CA LEU A 169 7.407 -2.794 -7.902 1.00 0.45 C ATOM 468 C LEU A 169 8.779 -2.385 -8.432 1.00 0.50 C ATOM 469 O LEU A 169 8.991 -1.253 -8.855 1.00 0.50 O ATOM 470 CB LEU A 169 7.381 -2.692 -6.375 1.00 0.54 C ATOM 471 CG LEU A 169 6.112 -3.234 -5.711 1.00 0.47 C ATOM 472 CD1 LEU A 169 6.250 -3.193 -4.202 1.00 0.66 C ATOM 473 CD2 LEU A 169 4.881 -2.456 -6.151 1.00 0.47 C ATOM 0 H LEU A 169 7.275 -4.843 -7.545 1.00 0.36 H new ATOM 0 HA LEU A 169 6.653 -2.127 -8.321 1.00 0.45 H new ATOM 0 HB2 LEU A 169 8.240 -3.231 -5.975 1.00 0.54 H new ATOM 0 HB3 LEU A 169 7.502 -1.646 -6.094 1.00 0.54 H new ATOM 0 HG LEU A 169 5.984 -4.269 -6.027 1.00 0.47 H new ATOM 0 HD11 LEU A 169 5.341 -3.581 -3.743 1.00 0.66 H new ATOM 0 HD12 LEU A 169 7.100 -3.804 -3.898 1.00 0.66 H new ATOM 0 HD13 LEU A 169 6.409 -2.164 -3.879 1.00 0.66 H new ATOM 0 HD21 LEU A 169 3.997 -2.866 -5.662 1.00 0.47 H new ATOM 0 HD22 LEU A 169 4.995 -1.408 -5.875 1.00 0.47 H new ATOM 0 HD23 LEU A 169 4.767 -2.536 -7.232 1.00 0.47 H new ATOM 485 N ALA A 170 9.693 -3.347 -8.426 1.00 0.55 N ATOM 486 CA ALA A 170 11.084 -3.110 -8.774 1.00 0.60 C ATOM 487 C ALA A 170 11.345 -3.136 -10.280 1.00 0.59 C ATOM 488 O ALA A 170 12.426 -2.743 -10.717 1.00 0.64 O ATOM 489 CB ALA A 170 11.977 -4.116 -8.064 1.00 0.62 C ATOM 0 H ALA A 170 9.488 -4.315 -8.179 1.00 0.55 H new ATOM 0 HA ALA A 170 11.323 -2.101 -8.439 1.00 0.60 H new ATOM 0 HB1 ALA A 170 13.017 -3.931 -8.331 1.00 0.62 H new ATOM 0 HB2 ALA A 170 11.855 -4.013 -6.986 1.00 0.62 H new ATOM 0 HB3 ALA A 170 11.699 -5.126 -8.366 1.00 0.62 H new ATOM 495 N LYS A 171 10.390 -3.597 -11.093 1.00 0.55 N ATOM 496 CA LYS A 171 10.590 -3.536 -12.533 1.00 0.59 C ATOM 497 C LYS A 171 10.023 -2.221 -13.075 1.00 0.64 C ATOM 498 O LYS A 171 9.992 -1.987 -14.284 1.00 0.78 O ATOM 499 CB LYS A 171 9.995 -4.746 -13.270 1.00 0.58 C ATOM 500 CG LYS A 171 8.486 -4.725 -13.496 1.00 0.63 C ATOM 501 CD LYS A 171 8.122 -5.678 -14.633 1.00 0.67 C ATOM 502 CE LYS A 171 6.625 -5.769 -14.885 1.00 0.96 C ATOM 503 NZ LYS A 171 5.955 -6.738 -13.976 1.00 0.93 N ATOM 0 H LYS A 171 9.504 -4.001 -10.789 1.00 0.55 H new ATOM 0 HA LYS A 171 11.663 -3.571 -12.720 1.00 0.59 H new ATOM 0 HB2 LYS A 171 10.485 -4.831 -14.240 1.00 0.58 H new ATOM 0 HB3 LYS A 171 10.244 -5.646 -12.707 1.00 0.58 H new ATOM 0 HG2 LYS A 171 7.968 -5.018 -12.583 1.00 0.63 H new ATOM 0 HG3 LYS A 171 8.159 -3.714 -13.737 1.00 0.63 H new ATOM 0 HD2 LYS A 171 8.618 -5.349 -15.546 1.00 0.67 H new ATOM 0 HD3 LYS A 171 8.506 -6.672 -14.402 1.00 0.67 H new ATOM 0 HE2 LYS A 171 6.177 -4.784 -14.756 1.00 0.96 H new ATOM 0 HE3 LYS A 171 6.451 -6.065 -15.919 1.00 0.96 H new ATOM 0 HZ1 LYS A 171 5.739 -7.611 -14.498 1.00 0.93 H new ATOM 0 HZ2 LYS A 171 6.585 -6.958 -13.178 1.00 0.93 H new ATOM 0 HZ3 LYS A 171 5.072 -6.323 -13.616 1.00 0.93 H new ATOM 517 N LYS A 172 9.545 -1.389 -12.157 1.00 0.60 N ATOM 518 CA LYS A 172 9.090 -0.048 -12.484 1.00 0.64 C ATOM 519 C LYS A 172 10.267 0.914 -12.467 1.00 0.54 C ATOM 520 O LYS A 172 11.148 0.801 -11.605 1.00 0.62 O ATOM 521 CB LYS A 172 8.032 0.415 -11.472 1.00 0.80 C ATOM 522 CG LYS A 172 6.790 -0.461 -11.411 1.00 0.78 C ATOM 523 CD LYS A 172 5.963 -0.362 -12.682 1.00 0.67 C ATOM 524 CE LYS A 172 4.702 -1.209 -12.594 1.00 0.91 C ATOM 525 NZ LYS A 172 5.014 -2.654 -12.444 1.00 1.40 N ATOM 0 H LYS A 172 9.463 -1.627 -11.168 1.00 0.60 H new ATOM 0 HA LYS A 172 8.647 -0.061 -13.480 1.00 0.64 H new ATOM 0 HB2 LYS A 172 8.486 0.449 -10.482 1.00 0.80 H new ATOM 0 HB3 LYS A 172 7.731 1.433 -11.720 1.00 0.80 H new ATOM 0 HG2 LYS A 172 7.085 -1.498 -11.250 1.00 0.78 H new ATOM 0 HG3 LYS A 172 6.180 -0.167 -10.557 1.00 0.78 H new ATOM 0 HD2 LYS A 172 5.692 0.678 -12.861 1.00 0.67 H new ATOM 0 HD3 LYS A 172 6.562 -0.686 -13.533 1.00 0.67 H new ATOM 0 HE2 LYS A 172 4.101 -0.878 -11.747 1.00 0.91 H new ATOM 0 HE3 LYS A 172 4.100 -1.059 -13.490 1.00 0.91 H new ATOM 0 HZ1 LYS A 172 4.146 -3.212 -12.574 1.00 1.40 H new ATOM 0 HZ2 LYS A 172 5.716 -2.934 -13.159 1.00 1.40 H new ATOM 0 HZ3 LYS A 172 5.399 -2.829 -11.494 1.00 1.40 H new ATOM 539 N PRO A 173 10.327 1.852 -13.422 1.00 0.47 N ATOM 540 CA PRO A 173 11.374 2.867 -13.468 1.00 0.42 C ATOM 541 C PRO A 173 11.304 3.798 -12.266 1.00 0.35 C ATOM 542 O PRO A 173 10.214 4.221 -11.884 1.00 0.35 O ATOM 543 CB PRO A 173 11.089 3.642 -14.763 1.00 0.43 C ATOM 544 CG PRO A 173 10.180 2.763 -15.548 1.00 0.62 C ATOM 545 CD PRO A 173 9.383 1.981 -14.541 1.00 0.53 C ATOM 0 HA PRO A 173 12.370 2.426 -13.445 1.00 0.42 H new ATOM 0 HB2 PRO A 173 10.622 4.604 -14.552 1.00 0.43 H new ATOM 0 HB3 PRO A 173 12.009 3.847 -15.310 1.00 0.43 H new ATOM 0 HG2 PRO A 173 9.526 3.353 -16.190 1.00 0.62 H new ATOM 0 HG3 PRO A 173 10.747 2.097 -16.198 1.00 0.62 H new ATOM 0 HD2 PRO A 173 8.474 2.505 -14.247 1.00 0.53 H new ATOM 0 HD3 PRO A 173 9.079 1.009 -14.930 1.00 0.53 H new ATOM 553 N LYS A 174 12.483 4.119 -11.714 1.00 0.34 N ATOM 554 CA LYS A 174 12.657 4.901 -10.472 1.00 0.36 C ATOM 555 C LYS A 174 11.606 6.006 -10.268 1.00 0.32 C ATOM 556 O LYS A 174 11.186 6.272 -9.139 1.00 0.34 O ATOM 557 CB LYS A 174 14.048 5.527 -10.473 1.00 0.43 C ATOM 558 CG LYS A 174 14.403 6.295 -9.210 1.00 0.59 C ATOM 559 CD LYS A 174 15.713 7.047 -9.387 1.00 0.82 C ATOM 560 CE LYS A 174 15.609 8.088 -10.495 1.00 1.58 C ATOM 561 NZ LYS A 174 16.926 8.693 -10.833 1.00 2.38 N ATOM 0 H LYS A 174 13.371 3.835 -12.128 1.00 0.34 H new ATOM 0 HA LYS A 174 12.527 4.202 -9.646 1.00 0.36 H new ATOM 0 HB2 LYS A 174 14.786 4.738 -10.621 1.00 0.43 H new ATOM 0 HB3 LYS A 174 14.127 6.201 -11.326 1.00 0.43 H new ATOM 0 HG2 LYS A 174 13.605 6.997 -8.969 1.00 0.59 H new ATOM 0 HG3 LYS A 174 14.485 5.605 -8.370 1.00 0.59 H new ATOM 0 HD2 LYS A 174 15.984 7.535 -8.451 1.00 0.82 H new ATOM 0 HD3 LYS A 174 16.511 6.342 -9.621 1.00 0.82 H new ATOM 0 HE2 LYS A 174 15.186 7.624 -11.386 1.00 1.58 H new ATOM 0 HE3 LYS A 174 14.920 8.874 -10.187 1.00 1.58 H new ATOM 0 HZ1 LYS A 174 16.802 9.394 -11.591 1.00 2.38 H new ATOM 0 HZ2 LYS A 174 17.320 9.160 -9.991 1.00 2.38 H new ATOM 0 HZ3 LYS A 174 17.578 7.949 -11.153 1.00 2.38 H new ATOM 575 N GLU A 175 11.222 6.661 -11.357 1.00 0.31 N ATOM 576 CA GLU A 175 10.187 7.692 -11.331 1.00 0.34 C ATOM 577 C GLU A 175 8.942 7.217 -10.568 1.00 0.29 C ATOM 578 O GLU A 175 8.445 7.909 -9.685 1.00 0.33 O ATOM 579 CB GLU A 175 9.805 8.061 -12.772 1.00 0.46 C ATOM 580 CG GLU A 175 8.543 8.903 -12.896 1.00 0.74 C ATOM 581 CD GLU A 175 8.776 10.382 -12.660 1.00 0.83 C ATOM 582 OE1 GLU A 175 9.461 10.722 -11.670 1.00 1.27 O ATOM 583 OE2 GLU A 175 8.308 11.206 -13.468 1.00 1.48 O ATOM 0 H GLU A 175 11.617 6.494 -12.282 1.00 0.31 H new ATOM 0 HA GLU A 175 10.583 8.566 -10.813 1.00 0.34 H new ATOM 0 HB2 GLU A 175 10.634 8.603 -13.226 1.00 0.46 H new ATOM 0 HB3 GLU A 175 9.672 7.143 -13.345 1.00 0.46 H new ATOM 0 HG2 GLU A 175 8.120 8.764 -13.891 1.00 0.74 H new ATOM 0 HG3 GLU A 175 7.803 8.542 -12.182 1.00 0.74 H new ATOM 590 N VAL A 176 8.479 6.020 -10.903 1.00 0.27 N ATOM 591 CA VAL A 176 7.226 5.489 -10.371 1.00 0.26 C ATOM 592 C VAL A 176 7.238 5.344 -8.854 1.00 0.25 C ATOM 593 O VAL A 176 6.368 5.887 -8.183 1.00 0.29 O ATOM 594 CB VAL A 176 6.871 4.137 -11.022 1.00 0.26 C ATOM 595 CG1 VAL A 176 5.769 3.419 -10.246 1.00 0.26 C ATOM 596 CG2 VAL A 176 6.447 4.373 -12.461 1.00 0.32 C ATOM 0 H VAL A 176 8.957 5.391 -11.548 1.00 0.27 H new ATOM 0 HA VAL A 176 6.460 6.223 -10.623 1.00 0.26 H new ATOM 0 HB VAL A 176 7.752 3.495 -11.002 1.00 0.26 H new ATOM 0 HG11 VAL A 176 5.542 2.469 -10.731 1.00 0.26 H new ATOM 0 HG12 VAL A 176 6.104 3.234 -9.225 1.00 0.26 H new ATOM 0 HG13 VAL A 176 4.873 4.040 -10.227 1.00 0.26 H new ATOM 0 HG21 VAL A 176 6.195 3.420 -12.927 1.00 0.32 H new ATOM 0 HG22 VAL A 176 5.576 5.029 -12.481 1.00 0.32 H new ATOM 0 HG23 VAL A 176 7.265 4.840 -13.010 1.00 0.32 H new ATOM 606 N GLN A 177 8.206 4.611 -8.318 1.00 0.23 N ATOM 607 CA GLN A 177 8.289 4.408 -6.872 1.00 0.28 C ATOM 608 C GLN A 177 8.312 5.740 -6.134 1.00 0.32 C ATOM 609 O GLN A 177 7.583 5.932 -5.167 1.00 0.37 O ATOM 610 CB GLN A 177 9.520 3.577 -6.484 1.00 0.30 C ATOM 611 CG GLN A 177 10.680 3.729 -7.442 1.00 0.45 C ATOM 612 CD GLN A 177 10.651 2.685 -8.537 1.00 0.87 C ATOM 613 OE1 GLN A 177 9.997 2.869 -9.556 1.00 1.79 O ATOM 614 NE2 GLN A 177 11.366 1.589 -8.340 1.00 0.96 N ATOM 0 H GLN A 177 8.940 4.150 -8.855 1.00 0.23 H new ATOM 0 HA GLN A 177 7.397 3.854 -6.577 1.00 0.28 H new ATOM 0 HB2 GLN A 177 9.844 3.868 -5.485 1.00 0.30 H new ATOM 0 HB3 GLN A 177 9.237 2.526 -6.433 1.00 0.30 H new ATOM 0 HG2 GLN A 177 10.654 4.723 -7.888 1.00 0.45 H new ATOM 0 HG3 GLN A 177 11.618 3.651 -6.891 1.00 0.45 H new ATOM 0 HE21 GLN A 177 11.897 1.475 -7.477 1.00 0.96 H new ATOM 0 HE22 GLN A 177 11.386 0.858 -9.052 1.00 0.96 H new ATOM 623 N LEU A 178 9.137 6.663 -6.608 1.00 0.35 N ATOM 624 CA LEU A 178 9.248 7.980 -5.992 1.00 0.39 C ATOM 625 C LEU A 178 7.946 8.759 -6.115 1.00 0.39 C ATOM 626 O LEU A 178 7.444 9.301 -5.130 1.00 0.46 O ATOM 627 CB LEU A 178 10.385 8.763 -6.636 1.00 0.44 C ATOM 628 CG LEU A 178 11.778 8.183 -6.397 1.00 0.54 C ATOM 629 CD1 LEU A 178 12.806 8.951 -7.203 1.00 0.58 C ATOM 630 CD2 LEU A 178 12.120 8.220 -4.909 1.00 0.55 C ATOM 0 H LEU A 178 9.741 6.525 -7.418 1.00 0.35 H new ATOM 0 HA LEU A 178 9.460 7.840 -4.932 1.00 0.39 H new ATOM 0 HB2 LEU A 178 10.208 8.816 -7.710 1.00 0.44 H new ATOM 0 HB3 LEU A 178 10.363 9.785 -6.259 1.00 0.44 H new ATOM 0 HG LEU A 178 11.789 7.143 -6.724 1.00 0.54 H new ATOM 0 HD11 LEU A 178 13.796 8.530 -7.026 1.00 0.58 H new ATOM 0 HD12 LEU A 178 12.565 8.878 -8.264 1.00 0.58 H new ATOM 0 HD13 LEU A 178 12.798 9.998 -6.900 1.00 0.58 H new ATOM 0 HD21 LEU A 178 13.115 7.804 -4.754 1.00 0.55 H new ATOM 0 HD22 LEU A 178 12.099 9.251 -4.556 1.00 0.55 H new ATOM 0 HD23 LEU A 178 11.390 7.632 -4.353 1.00 0.55 H new ATOM 642 N LYS A 179 7.395 8.793 -7.316 1.00 0.36 N ATOM 643 CA LYS A 179 6.176 9.551 -7.570 1.00 0.40 C ATOM 644 C LYS A 179 4.999 8.975 -6.799 1.00 0.31 C ATOM 645 O LYS A 179 4.170 9.717 -6.274 1.00 0.29 O ATOM 646 CB LYS A 179 5.877 9.624 -9.071 1.00 0.49 C ATOM 647 CG LYS A 179 6.787 10.605 -9.794 1.00 0.98 C ATOM 648 CD LYS A 179 6.594 12.016 -9.261 1.00 1.00 C ATOM 649 CE LYS A 179 7.848 12.864 -9.415 1.00 1.36 C ATOM 650 NZ LYS A 179 8.283 12.985 -10.829 1.00 1.52 N ATOM 0 H LYS A 179 7.769 8.307 -8.131 1.00 0.36 H new ATOM 0 HA LYS A 179 6.335 10.569 -7.213 1.00 0.40 H new ATOM 0 HB2 LYS A 179 5.992 8.633 -9.511 1.00 0.49 H new ATOM 0 HB3 LYS A 179 4.838 9.919 -9.218 1.00 0.49 H new ATOM 0 HG2 LYS A 179 7.827 10.303 -9.668 1.00 0.98 H new ATOM 0 HG3 LYS A 179 6.576 10.583 -10.863 1.00 0.98 H new ATOM 0 HD2 LYS A 179 5.768 12.492 -9.789 1.00 1.00 H new ATOM 0 HD3 LYS A 179 6.315 11.970 -8.208 1.00 1.00 H new ATOM 0 HE2 LYS A 179 7.662 13.858 -9.009 1.00 1.36 H new ATOM 0 HE3 LYS A 179 8.654 12.425 -8.827 1.00 1.36 H new ATOM 0 HZ1 LYS A 179 8.639 13.947 -11.002 1.00 1.52 H new ATOM 0 HZ2 LYS A 179 9.039 12.297 -11.020 1.00 1.52 H new ATOM 0 HZ3 LYS A 179 7.476 12.796 -11.458 1.00 1.52 H new ATOM 664 N PHE A 180 4.950 7.656 -6.707 1.00 0.29 N ATOM 665 CA PHE A 180 3.929 6.987 -5.927 1.00 0.23 C ATOM 666 C PHE A 180 4.113 7.315 -4.455 1.00 0.22 C ATOM 667 O PHE A 180 3.197 7.811 -3.814 1.00 0.23 O ATOM 668 CB PHE A 180 3.985 5.465 -6.151 1.00 0.19 C ATOM 669 CG PHE A 180 3.030 4.678 -5.287 1.00 0.17 C ATOM 670 CD1 PHE A 180 3.375 4.301 -3.996 1.00 0.15 C ATOM 671 CD2 PHE A 180 1.783 4.313 -5.773 1.00 0.26 C ATOM 672 CE1 PHE A 180 2.497 3.575 -3.219 1.00 0.17 C ATOM 673 CE2 PHE A 180 0.902 3.588 -4.997 1.00 0.29 C ATOM 674 CZ PHE A 180 1.282 3.240 -3.674 1.00 0.23 C ATOM 0 H PHE A 180 5.610 7.028 -7.166 1.00 0.29 H new ATOM 0 HA PHE A 180 2.950 7.340 -6.251 1.00 0.23 H new ATOM 0 HB2 PHE A 180 3.768 5.255 -7.198 1.00 0.19 H new ATOM 0 HB3 PHE A 180 5.000 5.118 -5.960 1.00 0.19 H new ATOM 0 HD1 PHE A 180 4.339 4.579 -3.597 1.00 0.15 H new ATOM 0 HD2 PHE A 180 1.497 4.601 -6.774 1.00 0.26 H new ATOM 0 HE1 PHE A 180 2.794 3.271 -2.226 1.00 0.17 H new ATOM 0 HE2 PHE A 180 -0.059 3.291 -5.389 1.00 0.29 H new ATOM 0 HZ PHE A 180 0.593 2.706 -3.036 1.00 0.23 H new ATOM 684 N LEU A 181 5.314 7.071 -3.936 1.00 0.25 N ATOM 685 CA LEU A 181 5.581 7.222 -2.509 1.00 0.27 C ATOM 686 C LEU A 181 5.380 8.660 -2.012 1.00 0.29 C ATOM 687 O LEU A 181 4.925 8.858 -0.889 1.00 0.29 O ATOM 688 CB LEU A 181 6.996 6.740 -2.154 1.00 0.31 C ATOM 689 CG LEU A 181 7.260 5.233 -2.312 1.00 0.31 C ATOM 690 CD1 LEU A 181 8.654 4.896 -1.819 1.00 0.37 C ATOM 691 CD2 LEU A 181 6.217 4.427 -1.551 1.00 0.29 C ATOM 0 H LEU A 181 6.119 6.767 -4.484 1.00 0.25 H new ATOM 0 HA LEU A 181 4.849 6.595 -1.999 1.00 0.27 H new ATOM 0 HB2 LEU A 181 7.708 7.280 -2.778 1.00 0.31 H new ATOM 0 HB3 LEU A 181 7.203 7.018 -1.120 1.00 0.31 H new ATOM 0 HG LEU A 181 7.189 4.973 -3.368 1.00 0.31 H new ATOM 0 HD11 LEU A 181 8.832 3.827 -1.935 1.00 0.37 H new ATOM 0 HD12 LEU A 181 9.390 5.452 -2.400 1.00 0.37 H new ATOM 0 HD13 LEU A 181 8.743 5.167 -0.767 1.00 0.37 H new ATOM 0 HD21 LEU A 181 6.419 3.363 -1.674 1.00 0.29 H new ATOM 0 HD22 LEU A 181 6.259 4.685 -0.493 1.00 0.29 H new ATOM 0 HD23 LEU A 181 5.225 4.655 -1.941 1.00 0.29 H new ATOM 703 N GLN A 182 5.701 9.662 -2.829 1.00 0.31 N ATOM 704 CA GLN A 182 5.587 11.061 -2.408 1.00 0.35 C ATOM 705 C GLN A 182 4.139 11.503 -2.419 1.00 0.29 C ATOM 706 O GLN A 182 3.618 12.026 -1.436 1.00 0.31 O ATOM 707 CB GLN A 182 6.388 11.954 -3.356 1.00 0.48 C ATOM 708 CG GLN A 182 7.888 11.842 -3.183 1.00 0.78 C ATOM 709 CD GLN A 182 8.663 12.248 -4.420 1.00 1.22 C ATOM 710 OE1 GLN A 182 9.849 11.683 -4.572 1.00 1.83 O flip ATOM 711 NE2 GLN A 182 8.211 13.064 -5.221 1.00 1.51 N flip ATOM 0 H GLN A 182 6.041 9.534 -3.782 1.00 0.31 H new ATOM 0 HA GLN A 182 5.980 11.148 -1.395 1.00 0.35 H new ATOM 0 HB2 GLN A 182 6.131 11.699 -4.384 1.00 0.48 H new ATOM 0 HB3 GLN A 182 6.091 12.991 -3.201 1.00 0.48 H new ATOM 0 HG2 GLN A 182 8.198 12.467 -2.346 1.00 0.78 H new ATOM 0 HG3 GLN A 182 8.142 10.814 -2.924 1.00 0.78 H new ATOM 0 HE21 GLN A 182 7.291 13.476 -5.065 1.00 1.51 H new ATOM 0 HE22 GLN A 182 8.756 13.329 -6.041 1.00 1.51 H new ATOM 720 N LYS A 183 3.510 11.302 -3.557 1.00 0.30 N ATOM 721 CA LYS A 183 2.098 11.603 -3.723 1.00 0.36 C ATOM 722 C LYS A 183 1.261 10.845 -2.684 1.00 0.25 C ATOM 723 O LYS A 183 0.370 11.415 -2.050 1.00 0.27 O ATOM 724 CB LYS A 183 1.692 11.238 -5.151 1.00 0.57 C ATOM 725 CG LYS A 183 0.211 11.346 -5.438 1.00 0.92 C ATOM 726 CD LYS A 183 -0.055 11.261 -6.933 1.00 1.07 C ATOM 727 CE LYS A 183 -1.534 11.385 -7.257 1.00 0.72 C ATOM 728 NZ LYS A 183 -1.769 11.411 -8.722 1.00 1.46 N ATOM 0 H LYS A 183 3.958 10.927 -4.393 1.00 0.30 H new ATOM 0 HA LYS A 183 1.916 12.666 -3.562 1.00 0.36 H new ATOM 0 HB2 LYS A 183 2.230 11.886 -5.843 1.00 0.57 H new ATOM 0 HB3 LYS A 183 2.014 10.217 -5.355 1.00 0.57 H new ATOM 0 HG2 LYS A 183 -0.323 10.548 -4.923 1.00 0.92 H new ATOM 0 HG3 LYS A 183 -0.172 12.289 -5.049 1.00 0.92 H new ATOM 0 HD2 LYS A 183 0.495 12.051 -7.444 1.00 1.07 H new ATOM 0 HD3 LYS A 183 0.321 10.312 -7.315 1.00 1.07 H new ATOM 0 HE2 LYS A 183 -2.076 10.549 -6.815 1.00 0.72 H new ATOM 0 HE3 LYS A 183 -1.931 12.295 -6.807 1.00 0.72 H new ATOM 0 HZ1 LYS A 183 -2.700 10.997 -8.932 1.00 1.46 H new ATOM 0 HZ2 LYS A 183 -1.743 12.394 -9.060 1.00 1.46 H new ATOM 0 HZ3 LYS A 183 -1.029 10.860 -9.202 1.00 1.46 H new ATOM 742 N PHE A 184 1.558 9.559 -2.530 1.00 0.21 N ATOM 743 CA PHE A 184 0.936 8.735 -1.494 1.00 0.21 C ATOM 744 C PHE A 184 1.206 9.316 -0.105 1.00 0.22 C ATOM 745 O PHE A 184 0.305 9.369 0.728 1.00 0.25 O ATOM 746 CB PHE A 184 1.453 7.296 -1.578 1.00 0.22 C ATOM 747 CG PHE A 184 0.683 6.302 -0.750 1.00 0.22 C ATOM 748 CD1 PHE A 184 -0.498 5.746 -1.222 1.00 0.21 C ATOM 749 CD2 PHE A 184 1.134 5.937 0.510 1.00 0.29 C ATOM 750 CE1 PHE A 184 -1.213 4.845 -0.453 1.00 0.22 C ATOM 751 CE2 PHE A 184 0.421 5.043 1.282 1.00 0.32 C ATOM 752 CZ PHE A 184 -0.727 4.437 0.758 1.00 0.26 C ATOM 0 H PHE A 184 2.230 9.060 -3.113 1.00 0.21 H new ATOM 0 HA PHE A 184 -0.141 8.731 -1.660 1.00 0.21 H new ATOM 0 HB2 PHE A 184 1.430 6.976 -2.620 1.00 0.22 H new ATOM 0 HB3 PHE A 184 2.496 7.280 -1.263 1.00 0.22 H new ATOM 0 HD1 PHE A 184 -0.863 6.020 -2.201 1.00 0.21 H new ATOM 0 HD2 PHE A 184 2.053 6.357 0.891 1.00 0.29 H new ATOM 0 HE1 PHE A 184 -2.158 4.463 -0.810 1.00 0.22 H new ATOM 0 HE2 PHE A 184 0.747 4.812 2.285 1.00 0.32 H new ATOM 0 HZ PHE A 184 -1.226 3.652 1.307 1.00 0.26 H new ATOM 762 N GLN A 185 2.450 9.737 0.142 1.00 0.24 N ATOM 763 CA GLN A 185 2.811 10.409 1.395 1.00 0.30 C ATOM 764 C GLN A 185 1.872 11.575 1.705 1.00 0.32 C ATOM 765 O GLN A 185 1.348 11.665 2.810 1.00 0.39 O ATOM 766 CB GLN A 185 4.268 10.894 1.370 1.00 0.35 C ATOM 767 CG GLN A 185 4.597 11.898 2.465 1.00 0.64 C ATOM 768 CD GLN A 185 6.085 12.125 2.628 1.00 0.53 C ATOM 769 OE1 GLN A 185 6.685 12.959 1.949 1.00 1.22 O ATOM 770 NE2 GLN A 185 6.685 11.401 3.556 1.00 0.82 N ATOM 0 H GLN A 185 3.226 9.624 -0.510 1.00 0.24 H new ATOM 0 HA GLN A 185 2.706 9.671 2.190 1.00 0.30 H new ATOM 0 HB2 GLN A 185 4.930 10.033 1.467 1.00 0.35 H new ATOM 0 HB3 GLN A 185 4.474 11.347 0.400 1.00 0.35 H new ATOM 0 HG2 GLN A 185 4.112 12.848 2.238 1.00 0.64 H new ATOM 0 HG3 GLN A 185 4.182 11.547 3.410 1.00 0.64 H new ATOM 0 HE21 GLN A 185 6.151 10.721 4.097 1.00 0.82 H new ATOM 0 HE22 GLN A 185 7.682 11.522 3.732 1.00 0.82 H new ATOM 779 N GLU A 186 1.657 12.465 0.745 1.00 0.29 N ATOM 780 CA GLU A 186 0.726 13.573 0.949 1.00 0.33 C ATOM 781 C GLU A 186 -0.660 13.044 1.298 1.00 0.31 C ATOM 782 O GLU A 186 -1.273 13.475 2.280 1.00 0.35 O ATOM 783 CB GLU A 186 0.671 14.481 -0.283 1.00 0.37 C ATOM 784 CG GLU A 186 1.879 15.398 -0.405 1.00 1.12 C ATOM 785 CD GLU A 186 1.982 16.376 0.752 1.00 1.57 C ATOM 786 OE1 GLU A 186 2.090 15.927 1.913 1.00 2.39 O ATOM 787 OE2 GLU A 186 1.943 17.600 0.514 1.00 1.79 O ATOM 0 H GLU A 186 2.106 12.445 -0.171 1.00 0.29 H new ATOM 0 HA GLU A 186 1.087 14.172 1.785 1.00 0.33 H new ATOM 0 HB2 GLU A 186 0.599 13.864 -1.179 1.00 0.37 H new ATOM 0 HB3 GLU A 186 -0.234 15.087 -0.240 1.00 0.37 H new ATOM 0 HG2 GLU A 186 2.786 14.795 -0.450 1.00 1.12 H new ATOM 0 HG3 GLU A 186 1.818 15.952 -1.342 1.00 1.12 H new ATOM 794 N TRP A 187 -1.144 12.113 0.485 1.00 0.26 N ATOM 795 CA TRP A 187 -2.400 11.421 0.764 1.00 0.26 C ATOM 796 C TRP A 187 -2.461 10.903 2.206 1.00 0.26 C ATOM 797 O TRP A 187 -3.435 11.164 2.911 1.00 0.28 O ATOM 798 CB TRP A 187 -2.621 10.266 -0.224 1.00 0.24 C ATOM 799 CG TRP A 187 -3.843 9.443 0.081 1.00 0.23 C ATOM 800 CD1 TRP A 187 -5.144 9.757 -0.201 1.00 0.30 C ATOM 801 CD2 TRP A 187 -3.878 8.169 0.736 1.00 0.20 C ATOM 802 NE1 TRP A 187 -5.972 8.756 0.233 1.00 0.28 N ATOM 803 CE2 TRP A 187 -5.226 7.775 0.813 1.00 0.21 C ATOM 804 CE3 TRP A 187 -2.903 7.324 1.260 1.00 0.23 C ATOM 805 CZ2 TRP A 187 -5.621 6.576 1.399 1.00 0.21 C ATOM 806 CZ3 TRP A 187 -3.297 6.134 1.840 1.00 0.26 C ATOM 807 CH2 TRP A 187 -4.646 5.771 1.904 1.00 0.23 C ATOM 0 H TRP A 187 -0.685 11.818 -0.377 1.00 0.26 H new ATOM 0 HA TRP A 187 -3.200 12.150 0.638 1.00 0.26 H new ATOM 0 HB2 TRP A 187 -2.708 10.672 -1.232 1.00 0.24 H new ATOM 0 HB3 TRP A 187 -1.745 9.618 -0.216 1.00 0.24 H new ATOM 0 HD1 TRP A 187 -5.470 10.661 -0.693 1.00 0.30 H new ATOM 0 HE1 TRP A 187 -6.987 8.747 0.137 1.00 0.28 H new ATOM 0 HE3 TRP A 187 -1.858 7.594 1.214 1.00 0.23 H new ATOM 0 HZ2 TRP A 187 -6.662 6.295 1.451 1.00 0.21 H new ATOM 0 HZ3 TRP A 187 -2.550 5.472 2.252 1.00 0.26 H new ATOM 0 HH2 TRP A 187 -4.920 4.833 2.363 1.00 0.23 H new ATOM 818 N THR A 188 -1.431 10.191 2.662 1.00 0.25 N ATOM 819 CA THR A 188 -1.464 9.583 3.988 1.00 0.27 C ATOM 820 C THR A 188 -1.202 10.601 5.099 1.00 0.29 C ATOM 821 O THR A 188 -1.534 10.354 6.253 1.00 0.32 O ATOM 822 CB THR A 188 -0.466 8.404 4.121 1.00 0.29 C ATOM 823 OG1 THR A 188 -0.524 7.862 5.442 1.00 1.21 O ATOM 824 CG2 THR A 188 0.960 8.834 3.829 1.00 1.00 C ATOM 0 H THR A 188 -0.572 10.023 2.138 1.00 0.25 H new ATOM 0 HA THR A 188 -2.476 9.194 4.105 1.00 0.27 H new ATOM 0 HB THR A 188 -0.755 7.651 3.388 1.00 0.29 H new ATOM 0 HG1 THR A 188 -0.959 8.505 6.041 1.00 1.21 H new ATOM 0 HG21 THR A 188 1.627 7.978 3.933 1.00 1.00 H new ATOM 0 HG22 THR A 188 1.022 9.221 2.812 1.00 1.00 H new ATOM 0 HG23 THR A 188 1.256 9.613 4.532 1.00 1.00 H new ATOM 832 N ARG A 189 -0.595 11.732 4.772 1.00 0.28 N ATOM 833 CA ARG A 189 -0.405 12.784 5.763 1.00 0.34 C ATOM 834 C ARG A 189 -1.706 13.553 5.975 1.00 0.36 C ATOM 835 O ARG A 189 -1.961 14.072 7.064 1.00 0.42 O ATOM 836 CB ARG A 189 0.733 13.731 5.372 1.00 0.38 C ATOM 837 CG ARG A 189 2.095 13.052 5.342 1.00 0.46 C ATOM 838 CD ARG A 189 3.229 14.053 5.482 1.00 0.63 C ATOM 839 NE ARG A 189 3.203 15.075 4.446 1.00 1.26 N ATOM 840 CZ ARG A 189 3.824 16.252 4.548 1.00 1.93 C ATOM 841 NH1 ARG A 189 4.517 16.550 5.646 1.00 2.16 N ATOM 842 NH2 ARG A 189 3.746 17.124 3.555 1.00 2.62 N ATOM 0 H ARG A 189 -0.230 11.945 3.844 1.00 0.28 H new ATOM 0 HA ARG A 189 -0.122 12.311 6.703 1.00 0.34 H new ATOM 0 HB2 ARG A 189 0.523 14.154 4.390 1.00 0.38 H new ATOM 0 HB3 ARG A 189 0.764 14.562 6.077 1.00 0.38 H new ATOM 0 HG2 ARG A 189 2.154 12.321 6.148 1.00 0.46 H new ATOM 0 HG3 ARG A 189 2.207 12.504 4.406 1.00 0.46 H new ATOM 0 HD2 ARG A 189 3.169 14.530 6.460 1.00 0.63 H new ATOM 0 HD3 ARG A 189 4.182 13.525 5.443 1.00 0.63 H new ATOM 0 HE ARG A 189 2.680 14.880 3.592 1.00 1.26 H new ATOM 0 HH11 ARG A 189 4.574 15.878 6.411 1.00 2.16 H new ATOM 0 HH12 ARG A 189 4.991 17.450 5.721 1.00 2.16 H new ATOM 0 HH21 ARG A 189 3.213 16.895 2.716 1.00 2.62 H new ATOM 0 HH22 ARG A 189 4.219 18.025 3.629 1.00 2.62 H new ATOM 856 N ALA A 190 -2.518 13.636 4.927 1.00 0.34 N ATOM 857 CA ALA A 190 -3.863 14.182 5.045 1.00 0.41 C ATOM 858 C ALA A 190 -4.832 13.126 5.572 1.00 0.34 C ATOM 859 O ALA A 190 -5.915 13.449 6.061 1.00 0.40 O ATOM 860 CB ALA A 190 -4.345 14.708 3.700 1.00 0.54 C ATOM 0 H ALA A 190 -2.267 13.332 3.986 1.00 0.34 H new ATOM 0 HA ALA A 190 -3.831 15.008 5.755 1.00 0.41 H new ATOM 0 HB1 ALA A 190 -5.352 15.112 3.807 1.00 0.54 H new ATOM 0 HB2 ALA A 190 -3.673 15.494 3.355 1.00 0.54 H new ATOM 0 HB3 ALA A 190 -4.356 13.895 2.974 1.00 0.54 H new ATOM 866 N HIS A 191 -4.441 11.859 5.463 1.00 0.36 N ATOM 867 CA HIS A 191 -5.295 10.754 5.893 1.00 0.35 C ATOM 868 C HIS A 191 -4.519 9.722 6.707 1.00 0.28 C ATOM 869 O HIS A 191 -4.437 8.567 6.303 1.00 0.33 O ATOM 870 CB HIS A 191 -5.910 10.040 4.684 1.00 0.58 C ATOM 871 CG HIS A 191 -6.793 10.899 3.835 1.00 0.49 C ATOM 872 ND1 HIS A 191 -7.882 11.575 4.323 1.00 0.53 N ATOM 873 CD2 HIS A 191 -6.731 11.190 2.517 1.00 0.91 C ATOM 874 CE1 HIS A 191 -8.454 12.243 3.340 1.00 0.81 C ATOM 875 NE2 HIS A 191 -7.780 12.026 2.227 1.00 1.04 N ATOM 0 H HIS A 191 -3.540 11.572 5.081 1.00 0.36 H new ATOM 0 HA HIS A 191 -6.077 11.190 6.515 1.00 0.35 H new ATOM 0 HB2 HIS A 191 -5.105 9.645 4.064 1.00 0.58 H new ATOM 0 HB3 HIS A 191 -6.488 9.186 5.038 1.00 0.58 H new ATOM 0 HD1 HIS A 191 -8.199 11.563 5.292 1.00 0.53 H new ATOM 0 HD2 HIS A 191 -5.990 10.830 1.818 1.00 0.91 H new ATOM 0 HE1 HIS A 191 -9.331 12.866 3.431 1.00 0.81 H new ATOM 884 N PRO A 192 -3.951 10.094 7.868 1.00 0.23 N ATOM 885 CA PRO A 192 -3.180 9.152 8.690 1.00 0.25 C ATOM 886 C PRO A 192 -4.058 8.054 9.277 1.00 0.27 C ATOM 887 O PRO A 192 -3.582 6.968 9.608 1.00 0.40 O ATOM 888 CB PRO A 192 -2.589 10.030 9.805 1.00 0.29 C ATOM 889 CG PRO A 192 -2.769 11.439 9.339 1.00 0.45 C ATOM 890 CD PRO A 192 -4.000 11.431 8.482 1.00 0.24 C ATOM 0 HA PRO A 192 -2.421 8.631 8.106 1.00 0.25 H new ATOM 0 HB2 PRO A 192 -3.102 9.861 10.752 1.00 0.29 H new ATOM 0 HB3 PRO A 192 -1.536 9.802 9.968 1.00 0.29 H new ATOM 0 HG2 PRO A 192 -2.885 12.119 10.183 1.00 0.45 H new ATOM 0 HG3 PRO A 192 -1.901 11.778 8.774 1.00 0.45 H new ATOM 0 HD2 PRO A 192 -4.906 11.574 9.071 1.00 0.24 H new ATOM 0 HD3 PRO A 192 -3.978 12.223 7.733 1.00 0.24 H new ATOM 898 N GLU A 193 -5.344 8.334 9.388 1.00 0.26 N ATOM 899 CA GLU A 193 -6.285 7.365 9.906 1.00 0.32 C ATOM 900 C GLU A 193 -6.770 6.464 8.773 1.00 0.28 C ATOM 901 O GLU A 193 -6.731 5.240 8.885 1.00 0.30 O ATOM 902 CB GLU A 193 -7.446 8.093 10.585 1.00 0.46 C ATOM 903 CG GLU A 193 -8.319 7.206 11.459 1.00 0.66 C ATOM 904 CD GLU A 193 -9.365 6.445 10.672 1.00 1.26 C ATOM 905 OE1 GLU A 193 -10.296 7.090 10.151 1.00 1.56 O ATOM 906 OE2 GLU A 193 -9.266 5.205 10.581 1.00 2.02 O ATOM 0 H GLU A 193 -5.759 9.228 9.125 1.00 0.26 H new ATOM 0 HA GLU A 193 -5.801 6.734 10.651 1.00 0.32 H new ATOM 0 HB2 GLU A 193 -7.044 8.902 11.196 1.00 0.46 H new ATOM 0 HB3 GLU A 193 -8.069 8.552 9.818 1.00 0.46 H new ATOM 0 HG2 GLU A 193 -7.687 6.497 11.993 1.00 0.66 H new ATOM 0 HG3 GLU A 193 -8.814 7.821 12.211 1.00 0.66 H new ATOM 913 N ASP A 194 -7.181 7.080 7.664 1.00 0.29 N ATOM 914 CA ASP A 194 -7.696 6.340 6.514 1.00 0.30 C ATOM 915 C ASP A 194 -6.617 5.432 5.943 1.00 0.23 C ATOM 916 O ASP A 194 -6.857 4.255 5.672 1.00 0.25 O ATOM 917 CB ASP A 194 -8.163 7.296 5.412 1.00 0.36 C ATOM 918 CG ASP A 194 -9.054 8.415 5.922 1.00 0.52 C ATOM 919 OD1 ASP A 194 -8.519 9.450 6.372 1.00 0.70 O ATOM 920 OD2 ASP A 194 -10.296 8.250 5.889 1.00 0.75 O ATOM 0 H ASP A 194 -7.167 8.092 7.539 1.00 0.29 H new ATOM 0 HA ASP A 194 -8.541 5.744 6.858 1.00 0.30 H new ATOM 0 HB2 ASP A 194 -7.290 7.730 4.924 1.00 0.36 H new ATOM 0 HB3 ASP A 194 -8.703 6.729 4.654 1.00 0.36 H new ATOM 925 N ALA A 195 -5.427 5.997 5.760 1.00 0.20 N ATOM 926 CA ALA A 195 -4.301 5.265 5.198 1.00 0.19 C ATOM 927 C ALA A 195 -3.958 4.052 6.038 1.00 0.16 C ATOM 928 O ALA A 195 -3.894 2.934 5.530 1.00 0.18 O ATOM 929 CB ALA A 195 -3.085 6.164 5.089 1.00 0.25 C ATOM 0 H ALA A 195 -5.219 6.967 5.996 1.00 0.20 H new ATOM 0 HA ALA A 195 -4.593 4.927 4.204 1.00 0.19 H new ATOM 0 HB1 ALA A 195 -2.253 5.601 4.667 1.00 0.25 H new ATOM 0 HB2 ALA A 195 -3.315 7.011 4.442 1.00 0.25 H new ATOM 0 HB3 ALA A 195 -2.812 6.528 6.079 1.00 0.25 H new ATOM 935 N ALA A 196 -3.748 4.278 7.331 1.00 0.17 N ATOM 936 CA ALA A 196 -3.367 3.209 8.235 1.00 0.20 C ATOM 937 C ALA A 196 -4.437 2.134 8.282 1.00 0.23 C ATOM 938 O ALA A 196 -4.126 0.946 8.347 1.00 0.27 O ATOM 939 CB ALA A 196 -3.089 3.758 9.622 1.00 0.21 C ATOM 0 H ALA A 196 -3.836 5.193 7.772 1.00 0.17 H new ATOM 0 HA ALA A 196 -2.451 2.753 7.859 1.00 0.20 H new ATOM 0 HB1 ALA A 196 -2.805 2.942 10.286 1.00 0.21 H new ATOM 0 HB2 ALA A 196 -2.277 4.483 9.570 1.00 0.21 H new ATOM 0 HB3 ALA A 196 -3.985 4.244 10.007 1.00 0.21 H new ATOM 945 N SER A 197 -5.698 2.546 8.223 1.00 0.22 N ATOM 946 CA SER A 197 -6.792 1.589 8.213 1.00 0.30 C ATOM 947 C SER A 197 -6.798 0.781 6.914 1.00 0.25 C ATOM 948 O SER A 197 -7.021 -0.436 6.931 1.00 0.24 O ATOM 949 CB SER A 197 -8.133 2.298 8.423 1.00 0.41 C ATOM 950 OG SER A 197 -8.226 2.838 9.733 1.00 0.96 O ATOM 0 H SER A 197 -5.984 3.524 8.182 1.00 0.22 H new ATOM 0 HA SER A 197 -6.643 0.894 9.039 1.00 0.30 H new ATOM 0 HB2 SER A 197 -8.245 3.096 7.689 1.00 0.41 H new ATOM 0 HB3 SER A 197 -8.949 1.595 8.257 1.00 0.41 H new ATOM 0 HG SER A 197 -8.671 3.711 9.696 1.00 0.96 H new ATOM 956 N LEU A 198 -6.509 1.434 5.786 1.00 0.24 N ATOM 957 CA LEU A 198 -6.490 0.756 4.498 1.00 0.22 C ATOM 958 C LEU A 198 -5.317 -0.214 4.418 1.00 0.19 C ATOM 959 O LEU A 198 -5.468 -1.353 3.979 1.00 0.20 O ATOM 960 CB LEU A 198 -6.379 1.806 3.384 1.00 0.21 C ATOM 961 CG LEU A 198 -6.193 1.258 1.969 1.00 0.22 C ATOM 962 CD1 LEU A 198 -7.406 0.459 1.531 1.00 0.26 C ATOM 963 CD2 LEU A 198 -5.922 2.393 0.998 1.00 0.24 C ATOM 0 H LEU A 198 -6.286 2.428 5.743 1.00 0.24 H new ATOM 0 HA LEU A 198 -7.411 0.185 4.380 1.00 0.22 H new ATOM 0 HB2 LEU A 198 -7.279 2.421 3.400 1.00 0.21 H new ATOM 0 HB3 LEU A 198 -5.540 2.463 3.612 1.00 0.21 H new ATOM 0 HG LEU A 198 -5.334 0.588 1.972 1.00 0.22 H new ATOM 0 HD11 LEU A 198 -7.247 0.081 0.521 1.00 0.26 H new ATOM 0 HD12 LEU A 198 -7.556 -0.378 2.213 1.00 0.26 H new ATOM 0 HD13 LEU A 198 -8.288 1.100 1.544 1.00 0.26 H new ATOM 0 HD21 LEU A 198 -5.791 1.989 -0.006 1.00 0.24 H new ATOM 0 HD22 LEU A 198 -6.764 3.086 1.004 1.00 0.24 H new ATOM 0 HD23 LEU A 198 -5.016 2.920 1.298 1.00 0.24 H new ATOM 975 N LEU A 199 -4.154 0.252 4.856 1.00 0.18 N ATOM 976 CA LEU A 199 -2.940 -0.548 4.823 1.00 0.21 C ATOM 977 C LEU A 199 -3.085 -1.797 5.686 1.00 0.27 C ATOM 978 O LEU A 199 -2.642 -2.883 5.303 1.00 0.37 O ATOM 979 CB LEU A 199 -1.749 0.282 5.312 1.00 0.21 C ATOM 980 CG LEU A 199 -1.359 1.470 4.437 1.00 0.23 C ATOM 981 CD1 LEU A 199 -0.237 2.259 5.091 1.00 0.27 C ATOM 982 CD2 LEU A 199 -0.931 0.999 3.062 1.00 0.31 C ATOM 0 H LEU A 199 -4.028 1.188 5.241 1.00 0.18 H new ATOM 0 HA LEU A 199 -2.767 -0.858 3.792 1.00 0.21 H new ATOM 0 HB2 LEU A 199 -1.975 0.651 6.312 1.00 0.21 H new ATOM 0 HB3 LEU A 199 -0.885 -0.376 5.403 1.00 0.21 H new ATOM 0 HG LEU A 199 -2.229 2.118 4.328 1.00 0.23 H new ATOM 0 HD11 LEU A 199 0.032 3.104 4.457 1.00 0.27 H new ATOM 0 HD12 LEU A 199 -0.568 2.626 6.062 1.00 0.27 H new ATOM 0 HD13 LEU A 199 0.632 1.614 5.224 1.00 0.27 H new ATOM 0 HD21 LEU A 199 -0.657 1.859 2.452 1.00 0.31 H new ATOM 0 HD22 LEU A 199 -0.074 0.333 3.156 1.00 0.31 H new ATOM 0 HD23 LEU A 199 -1.755 0.466 2.587 1.00 0.31 H new ATOM 994 N GLU A 200 -3.721 -1.641 6.844 1.00 0.27 N ATOM 995 CA GLU A 200 -3.871 -2.743 7.784 1.00 0.37 C ATOM 996 C GLU A 200 -4.749 -3.828 7.181 1.00 0.30 C ATOM 997 O GLU A 200 -4.513 -5.019 7.385 1.00 0.37 O ATOM 998 CB GLU A 200 -4.486 -2.259 9.101 1.00 0.54 C ATOM 999 CG GLU A 200 -4.070 -3.100 10.302 1.00 0.91 C ATOM 1000 CD GLU A 200 -5.027 -2.984 11.471 1.00 1.49 C ATOM 1001 OE1 GLU A 200 -4.988 -1.958 12.187 1.00 2.03 O ATOM 1002 OE2 GLU A 200 -5.813 -3.930 11.691 1.00 1.90 O ATOM 0 H GLU A 200 -4.139 -0.763 7.152 1.00 0.27 H new ATOM 0 HA GLU A 200 -2.881 -3.149 7.990 1.00 0.37 H new ATOM 0 HB2 GLU A 200 -4.194 -1.223 9.272 1.00 0.54 H new ATOM 0 HB3 GLU A 200 -5.572 -2.273 9.014 1.00 0.54 H new ATOM 0 HG2 GLU A 200 -4.001 -4.145 9.999 1.00 0.91 H new ATOM 0 HG3 GLU A 200 -3.074 -2.795 10.624 1.00 0.91 H new ATOM 1009 N LEU A 201 -5.755 -3.411 6.423 1.00 0.26 N ATOM 1010 CA LEU A 201 -6.704 -4.352 5.862 1.00 0.25 C ATOM 1011 C LEU A 201 -6.211 -4.903 4.517 1.00 0.23 C ATOM 1012 O LEU A 201 -6.542 -6.032 4.140 1.00 0.33 O ATOM 1013 CB LEU A 201 -8.069 -3.677 5.713 1.00 0.32 C ATOM 1014 CG LEU A 201 -9.215 -4.590 5.278 1.00 0.36 C ATOM 1015 CD1 LEU A 201 -9.343 -5.777 6.224 1.00 0.40 C ATOM 1016 CD2 LEU A 201 -10.515 -3.808 5.243 1.00 0.48 C ATOM 0 H LEU A 201 -5.931 -2.435 6.186 1.00 0.26 H new ATOM 0 HA LEU A 201 -6.801 -5.199 6.541 1.00 0.25 H new ATOM 0 HB2 LEU A 201 -8.334 -3.221 6.667 1.00 0.32 H new ATOM 0 HB3 LEU A 201 -7.977 -2.869 4.987 1.00 0.32 H new ATOM 0 HG LEU A 201 -8.999 -4.968 4.279 1.00 0.36 H new ATOM 0 HD11 LEU A 201 -10.164 -6.415 5.898 1.00 0.40 H new ATOM 0 HD12 LEU A 201 -8.415 -6.348 6.218 1.00 0.40 H new ATOM 0 HD13 LEU A 201 -9.542 -5.418 7.234 1.00 0.40 H new ATOM 0 HD21 LEU A 201 -11.327 -4.466 4.932 1.00 0.48 H new ATOM 0 HD22 LEU A 201 -10.728 -3.412 6.236 1.00 0.48 H new ATOM 0 HD23 LEU A 201 -10.425 -2.984 4.536 1.00 0.48 H new ATOM 1028 N CYS A 202 -5.424 -4.116 3.790 1.00 0.19 N ATOM 1029 CA CYS A 202 -4.889 -4.546 2.504 1.00 0.20 C ATOM 1030 C CYS A 202 -3.356 -4.575 2.531 1.00 0.24 C ATOM 1031 O CYS A 202 -2.700 -3.556 2.306 1.00 0.26 O ATOM 1032 CB CYS A 202 -5.382 -3.607 1.402 1.00 0.22 C ATOM 1033 SG CYS A 202 -7.181 -3.445 1.330 1.00 0.27 S ATOM 0 H CYS A 202 -5.143 -3.176 4.070 1.00 0.19 H new ATOM 0 HA CYS A 202 -5.242 -5.557 2.300 1.00 0.20 H new ATOM 0 HB2 CYS A 202 -4.944 -2.621 1.555 1.00 0.22 H new ATOM 0 HB3 CYS A 202 -5.021 -3.970 0.440 1.00 0.22 H new ATOM 0 HG CYS A 202 -7.493 -2.263 0.887 1.00 0.27 H new ATOM 1039 N PRO A 203 -2.763 -5.753 2.789 1.00 0.30 N ATOM 1040 CA PRO A 203 -1.310 -5.890 2.933 1.00 0.36 C ATOM 1041 C PRO A 203 -0.520 -5.649 1.639 1.00 0.28 C ATOM 1042 O PRO A 203 0.699 -5.471 1.698 1.00 0.28 O ATOM 1043 CB PRO A 203 -1.112 -7.334 3.408 1.00 0.49 C ATOM 1044 CG PRO A 203 -2.362 -8.054 3.043 1.00 0.74 C ATOM 1045 CD PRO A 203 -3.466 -7.031 2.989 1.00 0.38 C ATOM 0 HA PRO A 203 -0.931 -5.135 3.622 1.00 0.36 H new ATOM 0 HB2 PRO A 203 -0.245 -7.788 2.929 1.00 0.49 H new ATOM 0 HB3 PRO A 203 -0.938 -7.372 4.483 1.00 0.49 H new ATOM 0 HG2 PRO A 203 -2.252 -8.552 2.080 1.00 0.74 H new ATOM 0 HG3 PRO A 203 -2.589 -8.827 3.777 1.00 0.74 H new ATOM 0 HD2 PRO A 203 -4.160 -7.236 2.174 1.00 0.38 H new ATOM 0 HD3 PRO A 203 -4.049 -7.025 3.910 1.00 0.38 H new ATOM 1053 N GLN A 204 -1.187 -5.627 0.475 1.00 0.25 N ATOM 1054 CA GLN A 204 -0.460 -5.449 -0.786 1.00 0.26 C ATOM 1055 C GLN A 204 0.203 -4.072 -0.820 1.00 0.19 C ATOM 1056 O GLN A 204 1.348 -3.936 -1.236 1.00 0.25 O ATOM 1057 CB GLN A 204 -1.357 -5.664 -2.031 1.00 0.39 C ATOM 1058 CG GLN A 204 -2.027 -4.406 -2.585 1.00 0.36 C ATOM 1059 CD GLN A 204 -3.346 -4.104 -1.906 1.00 1.08 C ATOM 1060 OE1 GLN A 204 -3.388 -3.423 -0.886 1.00 1.65 O ATOM 1061 NE2 GLN A 204 -4.433 -4.605 -2.471 1.00 1.12 N ATOM 0 H GLN A 204 -2.198 -5.727 0.382 1.00 0.25 H new ATOM 0 HA GLN A 204 0.310 -6.219 -0.827 1.00 0.26 H new ATOM 0 HB2 GLN A 204 -0.752 -6.110 -2.820 1.00 0.39 H new ATOM 0 HB3 GLN A 204 -2.133 -6.386 -1.778 1.00 0.39 H new ATOM 0 HG2 GLN A 204 -1.356 -3.556 -2.461 1.00 0.36 H new ATOM 0 HG3 GLN A 204 -2.193 -4.528 -3.655 1.00 0.36 H new ATOM 0 HE21 GLN A 204 -4.354 -5.166 -3.319 1.00 1.12 H new ATOM 0 HE22 GLN A 204 -5.349 -4.430 -2.058 1.00 1.12 H new ATOM 1070 N LEU A 205 -0.507 -3.072 -0.315 1.00 0.16 N ATOM 1071 CA LEU A 205 -0.034 -1.695 -0.332 1.00 0.15 C ATOM 1072 C LEU A 205 1.026 -1.474 0.750 1.00 0.18 C ATOM 1073 O LEU A 205 2.068 -0.869 0.497 1.00 0.19 O ATOM 1074 CB LEU A 205 -1.231 -0.760 -0.137 1.00 0.15 C ATOM 1075 CG LEU A 205 -0.941 0.734 -0.244 1.00 0.19 C ATOM 1076 CD1 LEU A 205 -0.252 1.062 -1.559 1.00 0.21 C ATOM 1077 CD2 LEU A 205 -2.241 1.512 -0.123 1.00 0.21 C ATOM 0 H LEU A 205 -1.424 -3.192 0.116 1.00 0.16 H new ATOM 0 HA LEU A 205 0.436 -1.479 -1.292 1.00 0.15 H new ATOM 0 HB2 LEU A 205 -1.990 -1.016 -0.876 1.00 0.15 H new ATOM 0 HB3 LEU A 205 -1.663 -0.956 0.844 1.00 0.15 H new ATOM 0 HG LEU A 205 -0.270 1.019 0.566 1.00 0.19 H new ATOM 0 HD11 LEU A 205 -0.057 2.133 -1.610 1.00 0.21 H new ATOM 0 HD12 LEU A 205 0.690 0.518 -1.622 1.00 0.21 H new ATOM 0 HD13 LEU A 205 -0.895 0.771 -2.389 1.00 0.21 H new ATOM 0 HD21 LEU A 205 -2.035 2.580 -0.199 1.00 0.21 H new ATOM 0 HD22 LEU A 205 -2.918 1.215 -0.924 1.00 0.21 H new ATOM 0 HD23 LEU A 205 -2.704 1.300 0.841 1.00 0.21 H new ATOM 1089 N SER A 206 0.722 -1.932 1.957 1.00 0.24 N ATOM 1090 CA SER A 206 1.703 -1.958 3.044 1.00 0.27 C ATOM 1091 C SER A 206 3.077 -2.466 2.577 1.00 0.22 C ATOM 1092 O SER A 206 4.101 -1.839 2.860 1.00 0.20 O ATOM 1093 CB SER A 206 1.191 -2.821 4.189 1.00 0.35 C ATOM 1094 OG SER A 206 -0.061 -2.347 4.641 1.00 0.60 O ATOM 0 H SER A 206 -0.197 -2.292 2.213 1.00 0.24 H new ATOM 0 HA SER A 206 1.834 -0.932 3.387 1.00 0.27 H new ATOM 0 HB2 SER A 206 1.098 -3.856 3.859 1.00 0.35 H new ATOM 0 HB3 SER A 206 1.909 -2.811 5.009 1.00 0.35 H new ATOM 0 HG SER A 206 -0.694 -3.093 4.692 1.00 0.60 H new ATOM 1100 N PHE A 207 3.107 -3.583 1.852 1.00 0.21 N ATOM 1101 CA PHE A 207 4.376 -4.132 1.375 1.00 0.19 C ATOM 1102 C PHE A 207 4.851 -3.421 0.112 1.00 0.18 C ATOM 1103 O PHE A 207 6.053 -3.354 -0.147 1.00 0.20 O ATOM 1104 CB PHE A 207 4.271 -5.638 1.139 1.00 0.24 C ATOM 1105 CG PHE A 207 5.106 -6.470 2.084 1.00 0.24 C ATOM 1106 CD1 PHE A 207 5.741 -5.863 3.156 1.00 0.25 C ATOM 1107 CD2 PHE A 207 5.269 -7.845 1.905 1.00 0.69 C ATOM 1108 CE1 PHE A 207 6.514 -6.598 4.030 1.00 0.26 C ATOM 1109 CE2 PHE A 207 6.047 -8.579 2.782 1.00 0.90 C ATOM 1110 CZ PHE A 207 6.622 -8.048 3.805 1.00 0.63 C ATOM 0 H PHE A 207 2.281 -4.119 1.585 1.00 0.21 H new ATOM 0 HA PHE A 207 5.118 -3.961 2.155 1.00 0.19 H new ATOM 0 HB2 PHE A 207 3.227 -5.938 1.233 1.00 0.24 H new ATOM 0 HB3 PHE A 207 4.574 -5.856 0.115 1.00 0.24 H new ATOM 0 HD1 PHE A 207 5.629 -4.800 3.309 1.00 0.25 H new ATOM 0 HD2 PHE A 207 4.784 -8.339 1.076 1.00 0.69 H new ATOM 0 HE1 PHE A 207 7.025 -6.124 4.855 1.00 0.26 H new ATOM 0 HE2 PHE A 207 6.177 -9.636 2.602 1.00 0.90 H new ATOM 0 HZ PHE A 207 7.181 -8.664 4.494 1.00 0.63 H new ATOM 1120 N VAL A 208 3.912 -2.894 -0.667 1.00 0.17 N ATOM 1121 CA VAL A 208 4.256 -2.022 -1.786 1.00 0.18 C ATOM 1122 C VAL A 208 5.171 -0.901 -1.305 1.00 0.17 C ATOM 1123 O VAL A 208 6.241 -0.669 -1.869 1.00 0.20 O ATOM 1124 CB VAL A 208 2.996 -1.407 -2.444 1.00 0.25 C ATOM 1125 CG1 VAL A 208 3.297 -0.050 -3.062 1.00 0.34 C ATOM 1126 CG2 VAL A 208 2.447 -2.341 -3.503 1.00 0.46 C ATOM 0 H VAL A 208 2.912 -3.054 -0.546 1.00 0.17 H new ATOM 0 HA VAL A 208 4.766 -2.630 -2.533 1.00 0.18 H new ATOM 0 HB VAL A 208 2.250 -1.267 -1.662 1.00 0.25 H new ATOM 0 HG11 VAL A 208 2.391 0.353 -3.515 1.00 0.34 H new ATOM 0 HG12 VAL A 208 3.650 0.632 -2.288 1.00 0.34 H new ATOM 0 HG13 VAL A 208 4.066 -0.161 -3.826 1.00 0.34 H new ATOM 0 HG21 VAL A 208 1.562 -1.896 -3.957 1.00 0.46 H new ATOM 0 HG22 VAL A 208 3.204 -2.507 -4.270 1.00 0.46 H new ATOM 0 HG23 VAL A 208 2.180 -3.293 -3.045 1.00 0.46 H new ATOM 1136 N THR A 209 4.743 -0.229 -0.244 1.00 0.18 N ATOM 1137 CA THR A 209 5.518 0.847 0.343 1.00 0.20 C ATOM 1138 C THR A 209 6.885 0.334 0.784 1.00 0.20 C ATOM 1139 O THR A 209 7.914 0.904 0.428 1.00 0.21 O ATOM 1140 CB THR A 209 4.786 1.464 1.553 1.00 0.24 C ATOM 1141 OG1 THR A 209 3.462 1.863 1.171 1.00 0.27 O ATOM 1142 CG2 THR A 209 5.547 2.667 2.097 1.00 0.28 C ATOM 0 H THR A 209 3.858 -0.415 0.227 1.00 0.18 H new ATOM 0 HA THR A 209 5.646 1.618 -0.417 1.00 0.20 H new ATOM 0 HB THR A 209 4.728 0.709 2.337 1.00 0.24 H new ATOM 0 HG1 THR A 209 2.892 1.070 1.090 1.00 0.27 H new ATOM 0 HG21 THR A 209 5.009 3.083 2.949 1.00 0.28 H new ATOM 0 HG22 THR A 209 6.542 2.355 2.413 1.00 0.28 H new ATOM 0 HG23 THR A 209 5.634 3.425 1.318 1.00 0.28 H new ATOM 1150 N ALA A 210 6.872 -0.765 1.534 1.00 0.20 N ATOM 1151 CA ALA A 210 8.093 -1.376 2.051 1.00 0.21 C ATOM 1152 C ALA A 210 9.126 -1.607 0.951 1.00 0.17 C ATOM 1153 O ALA A 210 10.269 -1.162 1.063 1.00 0.18 O ATOM 1154 CB ALA A 210 7.760 -2.691 2.742 1.00 0.26 C ATOM 0 H ALA A 210 6.018 -1.255 1.800 1.00 0.20 H new ATOM 0 HA ALA A 210 8.532 -0.685 2.770 1.00 0.21 H new ATOM 0 HB1 ALA A 210 8.675 -3.142 3.126 1.00 0.26 H new ATOM 0 HB2 ALA A 210 7.073 -2.504 3.568 1.00 0.26 H new ATOM 0 HB3 ALA A 210 7.293 -3.369 2.028 1.00 0.26 H new ATOM 1160 N GLU A 211 8.719 -2.283 -0.117 1.00 0.19 N ATOM 1161 CA GLU A 211 9.634 -2.595 -1.207 1.00 0.20 C ATOM 1162 C GLU A 211 10.100 -1.335 -1.930 1.00 0.18 C ATOM 1163 O GLU A 211 11.281 -1.198 -2.223 1.00 0.22 O ATOM 1164 CB GLU A 211 8.997 -3.573 -2.194 1.00 0.28 C ATOM 1165 CG GLU A 211 9.066 -5.029 -1.748 1.00 1.01 C ATOM 1166 CD GLU A 211 10.475 -5.603 -1.800 1.00 1.30 C ATOM 1167 OE1 GLU A 211 11.435 -4.817 -1.957 1.00 1.87 O ATOM 1168 OE2 GLU A 211 10.632 -6.837 -1.668 1.00 1.63 O ATOM 0 H GLU A 211 7.767 -2.624 -0.251 1.00 0.19 H new ATOM 0 HA GLU A 211 10.511 -3.070 -0.766 1.00 0.20 H new ATOM 0 HB2 GLU A 211 7.953 -3.297 -2.342 1.00 0.28 H new ATOM 0 HB3 GLU A 211 9.493 -3.475 -3.160 1.00 0.28 H new ATOM 0 HG2 GLU A 211 8.685 -5.109 -0.730 1.00 1.01 H new ATOM 0 HG3 GLU A 211 8.412 -5.628 -2.382 1.00 1.01 H new ATOM 1175 N LEU A 212 9.188 -0.405 -2.210 1.00 0.17 N ATOM 1176 CA LEU A 212 9.566 0.842 -2.880 1.00 0.18 C ATOM 1177 C LEU A 212 10.554 1.640 -2.021 1.00 0.18 C ATOM 1178 O LEU A 212 11.483 2.277 -2.540 1.00 0.22 O ATOM 1179 CB LEU A 212 8.328 1.682 -3.209 1.00 0.18 C ATOM 1180 CG LEU A 212 7.316 1.005 -4.138 1.00 0.18 C ATOM 1181 CD1 LEU A 212 6.122 1.913 -4.377 1.00 0.19 C ATOM 1182 CD2 LEU A 212 7.972 0.628 -5.456 1.00 0.20 C ATOM 0 H LEU A 212 8.196 -0.487 -1.988 1.00 0.17 H new ATOM 0 HA LEU A 212 10.059 0.587 -3.818 1.00 0.18 H new ATOM 0 HB2 LEU A 212 7.826 1.943 -2.277 1.00 0.18 H new ATOM 0 HB3 LEU A 212 8.652 2.616 -3.668 1.00 0.18 H new ATOM 0 HG LEU A 212 6.963 0.093 -3.657 1.00 0.18 H new ATOM 0 HD11 LEU A 212 5.413 1.416 -5.039 1.00 0.19 H new ATOM 0 HD12 LEU A 212 5.637 2.134 -3.426 1.00 0.19 H new ATOM 0 HD13 LEU A 212 6.458 2.842 -4.837 1.00 0.19 H new ATOM 0 HD21 LEU A 212 7.238 0.148 -6.104 1.00 0.20 H new ATOM 0 HD22 LEU A 212 8.353 1.526 -5.943 1.00 0.20 H new ATOM 0 HD23 LEU A 212 8.796 -0.061 -5.269 1.00 0.20 H new ATOM 1194 N LEU A 213 10.366 1.584 -0.706 1.00 0.16 N ATOM 1195 CA LEU A 213 11.326 2.157 0.232 1.00 0.16 C ATOM 1196 C LEU A 213 12.696 1.526 0.006 1.00 0.17 C ATOM 1197 O LEU A 213 13.716 2.219 -0.029 1.00 0.23 O ATOM 1198 CB LEU A 213 10.881 1.921 1.682 1.00 0.17 C ATOM 1199 CG LEU A 213 9.583 2.619 2.097 1.00 0.20 C ATOM 1200 CD1 LEU A 213 9.167 2.194 3.500 1.00 0.22 C ATOM 1201 CD2 LEU A 213 9.734 4.133 2.022 1.00 0.24 C ATOM 0 H LEU A 213 9.557 1.147 -0.265 1.00 0.16 H new ATOM 0 HA LEU A 213 11.381 3.232 0.060 1.00 0.16 H new ATOM 0 HB2 LEU A 213 10.761 0.849 1.837 1.00 0.17 H new ATOM 0 HB3 LEU A 213 11.679 2.252 2.347 1.00 0.17 H new ATOM 0 HG LEU A 213 8.801 2.318 1.400 1.00 0.20 H new ATOM 0 HD11 LEU A 213 8.242 2.702 3.775 1.00 0.22 H new ATOM 0 HD12 LEU A 213 9.009 1.116 3.522 1.00 0.22 H new ATOM 0 HD13 LEU A 213 9.952 2.460 4.208 1.00 0.22 H new ATOM 0 HD21 LEU A 213 8.799 4.607 2.321 1.00 0.24 H new ATOM 0 HD22 LEU A 213 10.533 4.452 2.691 1.00 0.24 H new ATOM 0 HD23 LEU A 213 9.978 4.424 1.000 1.00 0.24 H new ATOM 1213 N LEU A 214 12.693 0.210 -0.185 1.00 0.18 N ATOM 1214 CA LEU A 214 13.918 -0.553 -0.390 1.00 0.22 C ATOM 1215 C LEU A 214 14.524 -0.294 -1.767 1.00 0.27 C ATOM 1216 O LEU A 214 15.738 -0.410 -1.939 1.00 0.36 O ATOM 1217 CB LEU A 214 13.649 -2.054 -0.232 1.00 0.20 C ATOM 1218 CG LEU A 214 13.056 -2.477 1.114 1.00 0.23 C ATOM 1219 CD1 LEU A 214 12.779 -3.972 1.133 1.00 0.25 C ATOM 1220 CD2 LEU A 214 13.985 -2.097 2.256 1.00 0.32 C ATOM 0 H LEU A 214 11.844 -0.355 -0.202 1.00 0.18 H new ATOM 0 HA LEU A 214 14.630 -0.224 0.367 1.00 0.22 H new ATOM 0 HB2 LEU A 214 12.970 -2.369 -1.024 1.00 0.20 H new ATOM 0 HB3 LEU A 214 14.585 -2.591 -0.382 1.00 0.20 H new ATOM 0 HG LEU A 214 12.112 -1.949 1.248 1.00 0.23 H new ATOM 0 HD11 LEU A 214 12.358 -4.252 2.099 1.00 0.25 H new ATOM 0 HD12 LEU A 214 12.071 -4.221 0.343 1.00 0.25 H new ATOM 0 HD13 LEU A 214 13.709 -4.516 0.971 1.00 0.25 H new ATOM 0 HD21 LEU A 214 13.543 -2.407 3.203 1.00 0.32 H new ATOM 0 HD22 LEU A 214 14.946 -2.594 2.124 1.00 0.32 H new ATOM 0 HD23 LEU A 214 14.133 -1.017 2.261 1.00 0.32 H new ATOM 1232 N THR A 215 13.692 0.048 -2.754 1.00 0.34 N ATOM 1233 CA THR A 215 14.183 0.276 -4.109 1.00 0.43 C ATOM 1234 C THR A 215 15.097 1.498 -4.146 1.00 0.39 C ATOM 1235 O THR A 215 16.197 1.455 -4.701 1.00 0.42 O ATOM 1236 CB THR A 215 13.036 0.477 -5.143 1.00 0.60 C ATOM 1237 OG1 THR A 215 12.353 1.712 -4.912 1.00 1.48 O ATOM 1238 CG2 THR A 215 12.017 -0.650 -5.094 1.00 0.55 C ATOM 0 H THR A 215 12.686 0.171 -2.639 1.00 0.34 H new ATOM 0 HA THR A 215 14.734 -0.622 -4.388 1.00 0.43 H new ATOM 0 HB THR A 215 13.507 0.485 -6.126 1.00 0.60 H new ATOM 0 HG1 THR A 215 12.077 1.762 -3.973 1.00 1.48 H new ATOM 0 HG21 THR A 215 11.236 -0.467 -5.832 1.00 0.55 H new ATOM 0 HG22 THR A 215 12.510 -1.596 -5.315 1.00 0.55 H new ATOM 0 HG23 THR A 215 11.573 -0.696 -4.100 1.00 0.55 H new ATOM 1246 N ASN A 216 14.647 2.584 -3.528 1.00 0.39 N ATOM 1247 CA ASN A 216 15.393 3.829 -3.563 1.00 0.44 C ATOM 1248 C ASN A 216 16.429 3.901 -2.448 1.00 0.39 C ATOM 1249 O ASN A 216 17.418 4.624 -2.556 1.00 0.50 O ATOM 1250 CB ASN A 216 14.440 5.015 -3.455 1.00 0.51 C ATOM 1251 CG ASN A 216 13.402 5.031 -4.560 1.00 1.05 C ATOM 1252 OD1 ASN A 216 13.657 5.519 -5.658 1.00 1.85 O ATOM 1253 ND2 ASN A 216 12.212 4.524 -4.266 1.00 1.13 N ATOM 0 H ASN A 216 13.775 2.625 -3.001 1.00 0.39 H new ATOM 0 HA ASN A 216 15.922 3.867 -4.516 1.00 0.44 H new ATOM 0 HB2 ASN A 216 13.936 4.985 -2.489 1.00 0.51 H new ATOM 0 HB3 ASN A 216 15.014 5.941 -3.487 1.00 0.51 H new ATOM 0 HD21 ASN A 216 11.468 4.530 -4.964 1.00 1.13 H new ATOM 0 HD22 ASN A 216 12.041 4.128 -3.342 1.00 1.13 H new ATOM 1260 N GLY A 217 16.207 3.152 -1.381 1.00 0.29 N ATOM 1261 CA GLY A 217 17.122 3.199 -0.257 1.00 0.26 C ATOM 1262 C GLY A 217 16.660 4.169 0.810 1.00 0.31 C ATOM 1263 O GLY A 217 17.406 4.471 1.740 1.00 0.40 O ATOM 0 H GLY A 217 15.417 2.516 -1.271 1.00 0.29 H new ATOM 0 HA2 GLY A 217 17.217 2.203 0.175 1.00 0.26 H new ATOM 0 HA3 GLY A 217 18.112 3.490 -0.607 1.00 0.26 H new ATOM 1267 N ILE A 218 15.431 4.671 0.654 1.00 0.42 N ATOM 1268 CA ILE A 218 14.793 5.516 1.664 1.00 0.55 C ATOM 1269 C ILE A 218 14.868 4.847 3.027 1.00 0.45 C ATOM 1270 O ILE A 218 15.302 5.438 4.019 1.00 0.55 O ATOM 1271 CB ILE A 218 13.312 5.743 1.332 1.00 0.76 C ATOM 1272 CG1 ILE A 218 13.155 6.105 -0.141 1.00 1.00 C ATOM 1273 CG2 ILE A 218 12.727 6.836 2.222 1.00 0.89 C ATOM 1274 CD1 ILE A 218 11.726 6.326 -0.553 1.00 2.21 C ATOM 0 H ILE A 218 14.855 4.504 -0.171 1.00 0.42 H new ATOM 0 HA ILE A 218 15.319 6.470 1.675 1.00 0.55 H new ATOM 0 HB ILE A 218 12.764 4.820 1.523 1.00 0.76 H new ATOM 0 HG12 ILE A 218 13.729 7.008 -0.349 1.00 1.00 H new ATOM 0 HG13 ILE A 218 13.582 5.309 -0.751 1.00 1.00 H new ATOM 0 HG21 ILE A 218 11.676 6.984 1.973 1.00 0.89 H new ATOM 0 HG22 ILE A 218 12.814 6.540 3.267 1.00 0.89 H new ATOM 0 HG23 ILE A 218 13.272 7.766 2.062 1.00 0.89 H new ATOM 0 HD11 ILE A 218 11.688 6.580 -1.612 1.00 2.21 H new ATOM 0 HD12 ILE A 218 11.152 5.416 -0.377 1.00 2.21 H new ATOM 0 HD13 ILE A 218 11.301 7.142 0.031 1.00 2.21 H new ATOM 1286 N CYS A 219 14.449 3.599 3.046 1.00 0.39 N ATOM 1287 CA CYS A 219 14.457 2.798 4.248 1.00 0.42 C ATOM 1288 C CYS A 219 15.078 1.450 3.935 1.00 0.35 C ATOM 1289 O CYS A 219 15.089 1.022 2.779 1.00 0.34 O ATOM 1290 CB CYS A 219 13.028 2.620 4.771 1.00 0.53 C ATOM 1291 SG CYS A 219 12.166 4.178 5.095 1.00 0.86 S ATOM 0 H CYS A 219 14.092 3.112 2.224 1.00 0.39 H new ATOM 0 HA CYS A 219 15.043 3.297 5.020 1.00 0.42 H new ATOM 0 HB2 CYS A 219 12.455 2.043 4.045 1.00 0.53 H new ATOM 0 HB3 CYS A 219 13.058 2.035 5.690 1.00 0.53 H new ATOM 0 HG CYS A 219 11.846 4.243 6.353 1.00 0.86 H new ATOM 1297 N LYS A 220 15.606 0.787 4.947 1.00 0.39 N ATOM 1298 CA LYS A 220 16.184 -0.527 4.760 1.00 0.42 C ATOM 1299 C LYS A 220 15.253 -1.569 5.353 1.00 0.36 C ATOM 1300 O LYS A 220 14.254 -1.217 5.980 1.00 0.31 O ATOM 1301 CB LYS A 220 17.559 -0.629 5.426 1.00 0.54 C ATOM 1302 CG LYS A 220 18.611 0.295 4.835 1.00 0.63 C ATOM 1303 CD LYS A 220 19.929 0.175 5.584 1.00 1.57 C ATOM 1304 CE LYS A 220 21.024 1.008 4.938 1.00 2.57 C ATOM 1305 NZ LYS A 220 21.444 0.457 3.622 1.00 3.40 N ATOM 0 H LYS A 220 15.646 1.137 5.904 1.00 0.39 H new ATOM 0 HA LYS A 220 16.312 -0.700 3.691 1.00 0.42 H new ATOM 0 HB2 LYS A 220 17.453 -0.407 6.488 1.00 0.54 H new ATOM 0 HB3 LYS A 220 17.911 -1.658 5.349 1.00 0.54 H new ATOM 0 HG2 LYS A 220 18.763 0.052 3.783 1.00 0.63 H new ATOM 0 HG3 LYS A 220 18.258 1.326 4.876 1.00 0.63 H new ATOM 0 HD2 LYS A 220 19.790 0.495 6.617 1.00 1.57 H new ATOM 0 HD3 LYS A 220 20.237 -0.870 5.613 1.00 1.57 H new ATOM 0 HE2 LYS A 220 20.671 2.031 4.806 1.00 2.57 H new ATOM 0 HE3 LYS A 220 21.886 1.052 5.604 1.00 2.57 H new ATOM 0 HZ1 LYS A 220 22.290 0.961 3.289 1.00 3.40 H new ATOM 0 HZ2 LYS A 220 21.661 -0.555 3.723 1.00 3.40 H new ATOM 0 HZ3 LYS A 220 20.675 0.579 2.933 1.00 3.40 H new ATOM 1319 N VAL A 221 15.566 -2.843 5.164 1.00 0.40 N ATOM 1320 CA VAL A 221 14.783 -3.903 5.782 1.00 0.41 C ATOM 1321 C VAL A 221 14.765 -3.699 7.297 1.00 0.40 C ATOM 1322 O VAL A 221 13.742 -3.895 7.961 1.00 0.39 O ATOM 1323 CB VAL A 221 15.356 -5.297 5.448 1.00 0.50 C ATOM 1324 CG1 VAL A 221 14.487 -6.396 6.041 1.00 0.55 C ATOM 1325 CG2 VAL A 221 15.490 -5.474 3.943 1.00 0.55 C ATOM 0 H VAL A 221 16.348 -3.165 4.594 1.00 0.40 H new ATOM 0 HA VAL A 221 13.768 -3.856 5.386 1.00 0.41 H new ATOM 0 HB VAL A 221 16.348 -5.372 5.893 1.00 0.50 H new ATOM 0 HG11 VAL A 221 14.911 -7.369 5.792 1.00 0.55 H new ATOM 0 HG12 VAL A 221 14.447 -6.284 7.124 1.00 0.55 H new ATOM 0 HG13 VAL A 221 13.479 -6.324 5.632 1.00 0.55 H new ATOM 0 HG21 VAL A 221 15.895 -6.463 3.728 1.00 0.55 H new ATOM 0 HG22 VAL A 221 14.510 -5.374 3.476 1.00 0.55 H new ATOM 0 HG23 VAL A 221 16.161 -4.712 3.545 1.00 0.55 H new ATOM 1335 N ASP A 222 15.907 -3.244 7.810 1.00 0.44 N ATOM 1336 CA ASP A 222 16.089 -2.941 9.227 1.00 0.50 C ATOM 1337 C ASP A 222 15.044 -1.959 9.740 1.00 0.42 C ATOM 1338 O ASP A 222 14.674 -2.003 10.908 1.00 0.43 O ATOM 1339 CB ASP A 222 17.476 -2.337 9.462 1.00 0.68 C ATOM 1340 CG ASP A 222 18.599 -3.268 9.070 1.00 1.28 C ATOM 1341 OD1 ASP A 222 18.799 -3.480 7.858 1.00 1.91 O ATOM 1342 OD2 ASP A 222 19.276 -3.804 9.973 1.00 2.02 O ATOM 0 H ASP A 222 16.740 -3.074 7.247 1.00 0.44 H new ATOM 0 HA ASP A 222 15.981 -3.881 9.769 1.00 0.50 H new ATOM 0 HB2 ASP A 222 17.564 -1.411 8.894 1.00 0.68 H new ATOM 0 HB3 ASP A 222 17.579 -2.076 10.515 1.00 0.68 H new ATOM 1347 N ASP A 223 14.581 -1.072 8.864 1.00 0.38 N ATOM 1348 CA ASP A 223 13.636 -0.027 9.245 1.00 0.37 C ATOM 1349 C ASP A 223 12.200 -0.515 9.110 1.00 0.30 C ATOM 1350 O ASP A 223 11.275 0.094 9.645 1.00 0.31 O ATOM 1351 CB ASP A 223 13.828 1.227 8.384 1.00 0.44 C ATOM 1352 CG ASP A 223 15.231 1.794 8.472 1.00 0.52 C ATOM 1353 OD1 ASP A 223 15.575 2.396 9.514 1.00 0.59 O ATOM 1354 OD2 ASP A 223 15.997 1.637 7.499 1.00 0.61 O ATOM 0 H ASP A 223 14.847 -1.057 7.879 1.00 0.38 H new ATOM 0 HA ASP A 223 13.831 0.223 10.288 1.00 0.37 H new ATOM 0 HB2 ASP A 223 13.604 0.986 7.345 1.00 0.44 H new ATOM 0 HB3 ASP A 223 13.114 1.989 8.696 1.00 0.44 H new ATOM 1359 N LEU A 224 12.020 -1.624 8.403 1.00 0.28 N ATOM 1360 CA LEU A 224 10.684 -2.120 8.091 1.00 0.28 C ATOM 1361 C LEU A 224 10.147 -3.007 9.203 1.00 0.28 C ATOM 1362 O LEU A 224 8.970 -2.953 9.540 1.00 0.26 O ATOM 1363 CB LEU A 224 10.691 -2.891 6.771 1.00 0.35 C ATOM 1364 CG LEU A 224 11.072 -2.064 5.545 1.00 0.39 C ATOM 1365 CD1 LEU A 224 10.998 -2.916 4.294 1.00 0.49 C ATOM 1366 CD2 LEU A 224 10.164 -0.847 5.423 1.00 0.41 C ATOM 0 H LEU A 224 12.780 -2.196 8.035 1.00 0.28 H new ATOM 0 HA LEU A 224 10.028 -1.255 7.996 1.00 0.28 H new ATOM 0 HB2 LEU A 224 11.386 -3.726 6.858 1.00 0.35 H new ATOM 0 HB3 LEU A 224 9.700 -3.317 6.610 1.00 0.35 H new ATOM 0 HG LEU A 224 12.098 -1.714 5.663 1.00 0.39 H new ATOM 0 HD11 LEU A 224 11.272 -2.314 3.427 1.00 0.49 H new ATOM 0 HD12 LEU A 224 11.686 -3.756 4.385 1.00 0.49 H new ATOM 0 HD13 LEU A 224 9.982 -3.291 4.169 1.00 0.49 H new ATOM 0 HD21 LEU A 224 10.448 -0.268 4.544 1.00 0.41 H new ATOM 0 HD22 LEU A 224 9.129 -1.174 5.323 1.00 0.41 H new ATOM 0 HD23 LEU A 224 10.264 -0.227 6.314 1.00 0.41 H new ATOM 1378 N ILE A 225 11.020 -3.822 9.767 1.00 0.37 N ATOM 1379 CA ILE A 225 10.611 -4.744 10.827 1.00 0.42 C ATOM 1380 C ILE A 225 10.067 -4.022 12.072 1.00 0.40 C ATOM 1381 O ILE A 225 9.071 -4.468 12.634 1.00 0.48 O ATOM 1382 CB ILE A 225 11.716 -5.730 11.239 1.00 0.49 C ATOM 1383 CG1 ILE A 225 13.024 -5.422 10.505 1.00 0.56 C ATOM 1384 CG2 ILE A 225 11.251 -7.152 10.958 1.00 0.71 C ATOM 1385 CD1 ILE A 225 14.072 -6.497 10.653 1.00 0.59 C ATOM 0 H ILE A 225 12.008 -3.870 9.517 1.00 0.37 H new ATOM 0 HA ILE A 225 9.799 -5.320 10.383 1.00 0.42 H new ATOM 0 HB ILE A 225 11.911 -5.625 12.306 1.00 0.49 H new ATOM 0 HG12 ILE A 225 12.811 -5.279 9.446 1.00 0.56 H new ATOM 0 HG13 ILE A 225 13.427 -4.481 10.879 1.00 0.56 H new ATOM 0 HG21 ILE A 225 12.032 -7.854 11.249 1.00 0.71 H new ATOM 0 HG22 ILE A 225 10.346 -7.359 11.529 1.00 0.71 H new ATOM 0 HG23 ILE A 225 11.041 -7.263 9.894 1.00 0.71 H new ATOM 0 HD11 ILE A 225 14.969 -6.208 10.106 1.00 0.59 H new ATOM 0 HD12 ILE A 225 14.315 -6.625 11.708 1.00 0.59 H new ATOM 0 HD13 ILE A 225 13.689 -7.436 10.252 1.00 0.59 H new ATOM 1397 N PRO A 226 10.694 -2.910 12.531 1.00 0.36 N ATOM 1398 CA PRO A 226 10.143 -2.096 13.627 1.00 0.39 C ATOM 1399 C PRO A 226 8.740 -1.574 13.326 1.00 0.38 C ATOM 1400 O PRO A 226 7.994 -1.231 14.243 1.00 0.52 O ATOM 1401 CB PRO A 226 11.123 -0.925 13.746 1.00 0.43 C ATOM 1402 CG PRO A 226 12.394 -1.442 13.180 1.00 0.44 C ATOM 1403 CD PRO A 226 11.995 -2.388 12.083 1.00 0.37 C ATOM 0 HA PRO A 226 10.042 -2.682 14.541 1.00 0.39 H new ATOM 0 HB2 PRO A 226 10.769 -0.054 13.195 1.00 0.43 H new ATOM 0 HB3 PRO A 226 11.248 -0.616 14.784 1.00 0.43 H new ATOM 0 HG2 PRO A 226 13.009 -0.630 12.792 1.00 0.44 H new ATOM 0 HG3 PRO A 226 12.983 -1.952 13.942 1.00 0.44 H new ATOM 0 HD2 PRO A 226 11.913 -1.877 11.124 1.00 0.37 H new ATOM 0 HD3 PRO A 226 12.726 -3.187 11.957 1.00 0.37 H new ATOM 1411 N LEU A 227 8.387 -1.499 12.043 1.00 0.29 N ATOM 1412 CA LEU A 227 7.042 -1.100 11.652 1.00 0.35 C ATOM 1413 C LEU A 227 6.062 -2.181 12.061 1.00 0.43 C ATOM 1414 O LEU A 227 4.961 -1.898 12.500 1.00 0.70 O ATOM 1415 CB LEU A 227 6.940 -0.872 10.144 1.00 0.33 C ATOM 1416 CG LEU A 227 7.939 0.117 9.566 1.00 0.31 C ATOM 1417 CD1 LEU A 227 7.741 0.228 8.069 1.00 0.33 C ATOM 1418 CD2 LEU A 227 7.779 1.469 10.233 1.00 0.37 C ATOM 0 H LEU A 227 9.011 -1.708 11.264 1.00 0.29 H new ATOM 0 HA LEU A 227 6.807 -0.161 12.154 1.00 0.35 H new ATOM 0 HB2 LEU A 227 7.069 -1.829 9.639 1.00 0.33 H new ATOM 0 HB3 LEU A 227 5.934 -0.523 9.914 1.00 0.33 H new ATOM 0 HG LEU A 227 8.951 -0.239 9.757 1.00 0.31 H new ATOM 0 HD11 LEU A 227 8.459 0.938 7.659 1.00 0.33 H new ATOM 0 HD12 LEU A 227 7.892 -0.748 7.609 1.00 0.33 H new ATOM 0 HD13 LEU A 227 6.729 0.574 7.861 1.00 0.33 H new ATOM 0 HD21 LEU A 227 8.499 2.170 9.812 1.00 0.37 H new ATOM 0 HD22 LEU A 227 6.769 1.841 10.063 1.00 0.37 H new ATOM 0 HD23 LEU A 227 7.954 1.369 11.304 1.00 0.37 H new ATOM 1430 N ALA A 228 6.481 -3.426 11.895 1.00 0.54 N ATOM 1431 CA ALA A 228 5.658 -4.561 12.263 1.00 0.66 C ATOM 1432 C ALA A 228 5.750 -4.842 13.760 1.00 0.73 C ATOM 1433 O ALA A 228 5.301 -4.048 14.590 1.00 1.47 O ATOM 1434 CB ALA A 228 6.068 -5.790 11.459 1.00 0.76 C ATOM 0 H ALA A 228 7.391 -3.674 11.506 1.00 0.54 H new ATOM 0 HA ALA A 228 4.620 -4.321 12.032 1.00 0.66 H new ATOM 0 HB1 ALA A 228 5.443 -6.636 11.744 1.00 0.76 H new ATOM 0 HB2 ALA A 228 5.942 -5.588 10.395 1.00 0.76 H new ATOM 0 HB3 ALA A 228 7.113 -6.026 11.662 1.00 0.76 H new ATOM 1441 N GLU B 630 -10.605 9.775 -3.290 1.00 1.19 N ATOM 1442 CA GLU B 630 -10.005 9.491 -1.999 1.00 0.73 C ATOM 1443 C GLU B 630 -8.612 8.962 -2.245 1.00 0.58 C ATOM 1444 O GLU B 630 -7.624 9.599 -1.911 1.00 0.83 O ATOM 1445 CB GLU B 630 -10.821 8.477 -1.199 1.00 1.57 C ATOM 1446 CG GLU B 630 -10.476 8.478 0.284 1.00 2.16 C ATOM 1447 CD GLU B 630 -10.583 9.858 0.907 1.00 2.88 C ATOM 1448 OE1 GLU B 630 -9.586 10.612 0.868 1.00 3.66 O ATOM 1449 OE2 GLU B 630 -11.662 10.188 1.443 1.00 3.07 O ATOM 0 HA GLU B 630 -9.977 10.406 -1.408 1.00 0.73 H new ATOM 0 HB2 GLU B 630 -11.882 8.695 -1.320 1.00 1.57 H new ATOM 0 HB3 GLU B 630 -10.652 7.480 -1.606 1.00 1.57 H new ATOM 0 HG2 GLU B 630 -11.143 7.794 0.809 1.00 2.16 H new ATOM 0 HG3 GLU B 630 -9.462 8.101 0.418 1.00 2.16 H new ATOM 1455 N LEU B 631 -8.555 7.803 -2.870 1.00 0.48 N ATOM 1456 CA LEU B 631 -7.298 7.239 -3.309 1.00 0.35 C ATOM 1457 C LEU B 631 -6.950 7.756 -4.687 1.00 0.41 C ATOM 1458 O LEU B 631 -7.785 7.734 -5.592 1.00 0.51 O ATOM 1459 CB LEU B 631 -7.389 5.720 -3.365 1.00 0.31 C ATOM 1460 CG LEU B 631 -7.141 5.001 -2.048 1.00 0.30 C ATOM 1461 CD1 LEU B 631 -7.694 3.596 -2.121 1.00 0.37 C ATOM 1462 CD2 LEU B 631 -5.655 4.955 -1.745 1.00 0.27 C ATOM 0 H LEU B 631 -9.372 7.231 -3.086 1.00 0.48 H new ATOM 0 HA LEU B 631 -6.526 7.532 -2.597 1.00 0.35 H new ATOM 0 HB2 LEU B 631 -8.380 5.446 -3.728 1.00 0.31 H new ATOM 0 HB3 LEU B 631 -6.669 5.357 -4.098 1.00 0.31 H new ATOM 0 HG LEU B 631 -7.645 5.545 -1.249 1.00 0.30 H new ATOM 0 HD11 LEU B 631 -7.514 3.085 -1.175 1.00 0.37 H new ATOM 0 HD12 LEU B 631 -8.766 3.637 -2.313 1.00 0.37 H new ATOM 0 HD13 LEU B 631 -7.201 3.052 -2.927 1.00 0.37 H new ATOM 0 HD21 LEU B 631 -5.492 4.438 -0.800 1.00 0.27 H new ATOM 0 HD22 LEU B 631 -5.137 4.423 -2.543 1.00 0.27 H new ATOM 0 HD23 LEU B 631 -5.267 5.971 -1.674 1.00 0.27 H new ATOM 1474 N PRO B 632 -5.731 8.260 -4.856 1.00 0.41 N ATOM 1475 CA PRO B 632 -5.192 8.542 -6.173 1.00 0.52 C ATOM 1476 C PRO B 632 -5.178 7.275 -7.013 1.00 0.48 C ATOM 1477 O PRO B 632 -4.759 6.209 -6.553 1.00 0.46 O ATOM 1478 CB PRO B 632 -3.770 9.018 -5.903 1.00 0.70 C ATOM 1479 CG PRO B 632 -3.479 8.576 -4.503 1.00 0.56 C ATOM 1480 CD PRO B 632 -4.793 8.618 -3.789 1.00 0.41 C ATOM 0 HA PRO B 632 -5.780 9.278 -6.721 1.00 0.52 H new ATOM 0 HB2 PRO B 632 -3.065 8.581 -6.610 1.00 0.70 H new ATOM 0 HB3 PRO B 632 -3.690 10.101 -6.001 1.00 0.70 H new ATOM 0 HG2 PRO B 632 -3.057 7.571 -4.489 1.00 0.56 H new ATOM 0 HG3 PRO B 632 -2.752 9.234 -4.027 1.00 0.56 H new ATOM 0 HD2 PRO B 632 -4.829 7.912 -2.960 1.00 0.41 H new ATOM 0 HD3 PRO B 632 -5.002 9.605 -3.376 1.00 0.41 H new ATOM 1488 N THR B 633 -5.626 7.413 -8.239 1.00 0.55 N ATOM 1489 CA THR B 633 -5.916 6.279 -9.106 1.00 0.66 C ATOM 1490 C THR B 633 -4.697 5.401 -9.377 1.00 0.56 C ATOM 1491 O THR B 633 -4.831 4.196 -9.580 1.00 0.55 O ATOM 1492 CB THR B 633 -6.512 6.772 -10.430 1.00 0.91 C ATOM 1493 OG1 THR B 633 -5.695 7.816 -10.976 1.00 1.82 O ATOM 1494 CG2 THR B 633 -7.918 7.295 -10.209 1.00 1.32 C ATOM 0 H THR B 633 -5.803 8.319 -8.672 1.00 0.55 H new ATOM 0 HA THR B 633 -6.638 5.657 -8.577 1.00 0.66 H new ATOM 0 HB THR B 633 -6.547 5.936 -11.129 1.00 0.91 H new ATOM 0 HG1 THR B 633 -6.081 8.125 -11.822 1.00 1.82 H new ATOM 0 HG21 THR B 633 -8.330 7.642 -11.156 1.00 1.32 H new ATOM 0 HG22 THR B 633 -8.545 6.497 -9.811 1.00 1.32 H new ATOM 0 HG23 THR B 633 -7.891 8.123 -9.500 1.00 1.32 H new ATOM 1502 N GLU B 634 -3.519 6.009 -9.373 1.00 0.55 N ATOM 1503 CA GLU B 634 -2.266 5.281 -9.575 1.00 0.54 C ATOM 1504 C GLU B 634 -2.103 4.171 -8.538 1.00 0.43 C ATOM 1505 O GLU B 634 -1.675 3.061 -8.861 1.00 0.45 O ATOM 1506 CB GLU B 634 -1.093 6.257 -9.505 1.00 0.62 C ATOM 1507 CG GLU B 634 -1.192 7.362 -10.543 1.00 1.26 C ATOM 1508 CD GLU B 634 -0.141 8.433 -10.370 1.00 1.30 C ATOM 1509 OE1 GLU B 634 -0.398 9.390 -9.613 1.00 1.65 O ATOM 1510 OE2 GLU B 634 0.928 8.325 -10.998 1.00 1.70 O ATOM 0 H GLU B 634 -3.401 7.012 -9.231 1.00 0.55 H new ATOM 0 HA GLU B 634 -2.287 4.813 -10.559 1.00 0.54 H new ATOM 0 HB2 GLU B 634 -1.052 6.700 -8.510 1.00 0.62 H new ATOM 0 HB3 GLU B 634 -0.161 5.711 -9.649 1.00 0.62 H new ATOM 0 HG2 GLU B 634 -1.099 6.927 -11.538 1.00 1.26 H new ATOM 0 HG3 GLU B 634 -2.180 7.818 -10.486 1.00 1.26 H new ATOM 1517 N VAL B 635 -2.446 4.487 -7.294 1.00 0.33 N ATOM 1518 CA VAL B 635 -2.421 3.508 -6.214 1.00 0.28 C ATOM 1519 C VAL B 635 -3.291 2.302 -6.550 1.00 0.27 C ATOM 1520 O VAL B 635 -2.875 1.160 -6.363 1.00 0.28 O ATOM 1521 CB VAL B 635 -2.888 4.128 -4.879 1.00 0.28 C ATOM 1522 CG1 VAL B 635 -2.856 3.103 -3.751 1.00 0.32 C ATOM 1523 CG2 VAL B 635 -2.026 5.330 -4.532 1.00 0.35 C ATOM 0 H VAL B 635 -2.746 5.419 -7.008 1.00 0.33 H new ATOM 0 HA VAL B 635 -1.387 3.181 -6.102 1.00 0.28 H new ATOM 0 HB VAL B 635 -3.921 4.456 -4.999 1.00 0.28 H new ATOM 0 HG11 VAL B 635 -3.190 3.571 -2.825 1.00 0.32 H new ATOM 0 HG12 VAL B 635 -3.516 2.271 -3.996 1.00 0.32 H new ATOM 0 HG13 VAL B 635 -1.838 2.733 -3.624 1.00 0.32 H new ATOM 0 HG21 VAL B 635 -2.364 5.760 -3.589 1.00 0.35 H new ATOM 0 HG22 VAL B 635 -0.986 5.017 -4.436 1.00 0.35 H new ATOM 0 HG23 VAL B 635 -2.109 6.077 -5.321 1.00 0.35 H new ATOM 1533 N LEU B 636 -4.492 2.567 -7.059 1.00 0.29 N ATOM 1534 CA LEU B 636 -5.425 1.508 -7.435 1.00 0.33 C ATOM 1535 C LEU B 636 -4.799 0.549 -8.441 1.00 0.34 C ATOM 1536 O LEU B 636 -4.842 -0.673 -8.253 1.00 0.36 O ATOM 1537 CB LEU B 636 -6.710 2.105 -8.013 1.00 0.40 C ATOM 1538 CG LEU B 636 -7.492 3.004 -7.053 1.00 0.47 C ATOM 1539 CD1 LEU B 636 -8.683 3.627 -7.758 1.00 0.57 C ATOM 1540 CD2 LEU B 636 -7.947 2.219 -5.831 1.00 0.51 C ATOM 0 H LEU B 636 -4.843 3.511 -7.221 1.00 0.29 H new ATOM 0 HA LEU B 636 -5.667 0.946 -6.533 1.00 0.33 H new ATOM 0 HB2 LEU B 636 -6.457 2.682 -8.903 1.00 0.40 H new ATOM 0 HB3 LEU B 636 -7.359 1.290 -8.335 1.00 0.40 H new ATOM 0 HG LEU B 636 -6.831 3.804 -6.719 1.00 0.47 H new ATOM 0 HD11 LEU B 636 -9.227 4.263 -7.060 1.00 0.57 H new ATOM 0 HD12 LEU B 636 -8.335 4.226 -8.599 1.00 0.57 H new ATOM 0 HD13 LEU B 636 -9.343 2.840 -8.122 1.00 0.57 H new ATOM 0 HD21 LEU B 636 -8.501 2.877 -5.161 1.00 0.51 H new ATOM 0 HD22 LEU B 636 -8.590 1.397 -6.145 1.00 0.51 H new ATOM 0 HD23 LEU B 636 -7.077 1.820 -5.310 1.00 0.51 H new ATOM 1552 N ASP B 637 -4.187 1.094 -9.493 1.00 0.36 N ATOM 1553 CA ASP B 637 -3.546 0.268 -10.512 1.00 0.41 C ATOM 1554 C ASP B 637 -2.461 -0.590 -9.889 1.00 0.37 C ATOM 1555 O ASP B 637 -2.356 -1.787 -10.166 1.00 0.40 O ATOM 1556 CB ASP B 637 -2.923 1.137 -11.614 1.00 0.49 C ATOM 1557 CG ASP B 637 -3.915 1.563 -12.678 1.00 1.37 C ATOM 1558 OD1 ASP B 637 -4.162 0.782 -13.618 1.00 1.43 O ATOM 1559 OD2 ASP B 637 -4.486 2.671 -12.550 1.00 2.30 O ATOM 0 H ASP B 637 -4.123 2.098 -9.660 1.00 0.36 H new ATOM 0 HA ASP B 637 -4.313 -0.369 -10.952 1.00 0.41 H new ATOM 0 HB2 ASP B 637 -2.484 2.026 -11.161 1.00 0.49 H new ATOM 0 HB3 ASP B 637 -2.110 0.585 -12.086 1.00 0.49 H new ATOM 1564 N LEU B 638 -1.668 0.029 -9.027 1.00 0.32 N ATOM 1565 CA LEU B 638 -0.558 -0.659 -8.396 1.00 0.31 C ATOM 1566 C LEU B 638 -1.031 -1.832 -7.546 1.00 0.32 C ATOM 1567 O LEU B 638 -0.418 -2.898 -7.551 1.00 0.38 O ATOM 1568 CB LEU B 638 0.257 0.292 -7.536 1.00 0.29 C ATOM 1569 CG LEU B 638 1.461 -0.361 -6.864 1.00 0.31 C ATOM 1570 CD1 LEU B 638 2.353 -1.026 -7.896 1.00 0.35 C ATOM 1571 CD2 LEU B 638 2.244 0.658 -6.073 1.00 0.33 C ATOM 0 H LEU B 638 -1.774 1.005 -8.751 1.00 0.32 H new ATOM 0 HA LEU B 638 0.071 -1.044 -9.199 1.00 0.31 H new ATOM 0 HB2 LEU B 638 0.603 1.120 -8.155 1.00 0.29 H new ATOM 0 HB3 LEU B 638 -0.390 0.717 -6.768 1.00 0.29 H new ATOM 0 HG LEU B 638 1.096 -1.126 -6.178 1.00 0.31 H new ATOM 0 HD11 LEU B 638 3.206 -1.486 -7.397 1.00 0.35 H new ATOM 0 HD12 LEU B 638 1.787 -1.791 -8.427 1.00 0.35 H new ATOM 0 HD13 LEU B 638 2.707 -0.279 -8.606 1.00 0.35 H new ATOM 0 HD21 LEU B 638 3.099 0.174 -5.601 1.00 0.33 H new ATOM 0 HD22 LEU B 638 2.596 1.445 -6.740 1.00 0.33 H new ATOM 0 HD23 LEU B 638 1.604 1.093 -5.305 1.00 0.33 H new ATOM 1583 N LEU B 639 -2.124 -1.644 -6.820 1.00 0.29 N ATOM 1584 CA LEU B 639 -2.638 -2.695 -5.953 1.00 0.30 C ATOM 1585 C LEU B 639 -3.108 -3.878 -6.787 1.00 0.33 C ATOM 1586 O LEU B 639 -3.116 -5.018 -6.329 1.00 0.33 O ATOM 1587 CB LEU B 639 -3.805 -2.183 -5.103 1.00 0.30 C ATOM 1588 CG LEU B 639 -3.525 -0.915 -4.295 1.00 0.28 C ATOM 1589 CD1 LEU B 639 -4.730 -0.547 -3.446 1.00 0.31 C ATOM 1590 CD2 LEU B 639 -2.294 -1.091 -3.428 1.00 0.31 C ATOM 0 H LEU B 639 -2.668 -0.781 -6.813 1.00 0.29 H new ATOM 0 HA LEU B 639 -1.831 -3.008 -5.291 1.00 0.30 H new ATOM 0 HB2 LEU B 639 -4.654 -1.994 -5.760 1.00 0.30 H new ATOM 0 HB3 LEU B 639 -4.104 -2.973 -4.414 1.00 0.30 H new ATOM 0 HG LEU B 639 -3.335 -0.100 -4.993 1.00 0.28 H new ATOM 0 HD11 LEU B 639 -4.512 0.358 -2.878 1.00 0.31 H new ATOM 0 HD12 LEU B 639 -5.590 -0.372 -4.092 1.00 0.31 H new ATOM 0 HD13 LEU B 639 -4.953 -1.362 -2.758 1.00 0.31 H new ATOM 0 HD21 LEU B 639 -2.114 -0.177 -2.862 1.00 0.31 H new ATOM 0 HD22 LEU B 639 -2.451 -1.920 -2.738 1.00 0.31 H new ATOM 0 HD23 LEU B 639 -1.431 -1.303 -4.060 1.00 0.31 H new ATOM 1602 N SER B 640 -3.507 -3.593 -8.014 1.00 0.38 N ATOM 1603 CA SER B 640 -4.057 -4.617 -8.882 1.00 0.44 C ATOM 1604 C SER B 640 -3.008 -5.273 -9.774 1.00 0.50 C ATOM 1605 O SER B 640 -3.312 -6.252 -10.454 1.00 0.57 O ATOM 1606 CB SER B 640 -5.155 -4.001 -9.729 1.00 0.53 C ATOM 1607 OG SER B 640 -5.883 -4.984 -10.453 1.00 1.17 O ATOM 0 H SER B 640 -3.460 -2.663 -8.430 1.00 0.38 H new ATOM 0 HA SER B 640 -4.456 -5.409 -8.249 1.00 0.44 H new ATOM 0 HB2 SER B 640 -5.838 -3.443 -9.088 1.00 0.53 H new ATOM 0 HB3 SER B 640 -4.717 -3.287 -10.427 1.00 0.53 H new ATOM 0 HG SER B 640 -5.311 -5.764 -10.611 1.00 1.17 H new ATOM 1613 N VAL B 641 -1.794 -4.732 -9.817 1.00 0.52 N ATOM 1614 CA VAL B 641 -0.729 -5.372 -10.589 1.00 0.57 C ATOM 1615 C VAL B 641 0.044 -6.383 -9.748 1.00 0.60 C ATOM 1616 O VAL B 641 0.960 -7.032 -10.241 1.00 0.68 O ATOM 1617 CB VAL B 641 0.264 -4.356 -11.205 1.00 0.55 C ATOM 1618 CG1 VAL B 641 -0.457 -3.417 -12.157 1.00 0.57 C ATOM 1619 CG2 VAL B 641 0.997 -3.572 -10.127 1.00 0.49 C ATOM 0 H VAL B 641 -1.525 -3.872 -9.339 1.00 0.52 H new ATOM 0 HA VAL B 641 -1.233 -5.889 -11.406 1.00 0.57 H new ATOM 0 HB VAL B 641 1.009 -4.917 -11.769 1.00 0.55 H new ATOM 0 HG11 VAL B 641 0.256 -2.710 -12.580 1.00 0.57 H new ATOM 0 HG12 VAL B 641 -0.916 -3.994 -12.960 1.00 0.57 H new ATOM 0 HG13 VAL B 641 -1.230 -2.872 -11.615 1.00 0.57 H new ATOM 0 HG21 VAL B 641 1.686 -2.868 -10.594 1.00 0.49 H new ATOM 0 HG22 VAL B 641 0.275 -3.025 -9.520 1.00 0.49 H new ATOM 0 HG23 VAL B 641 1.556 -4.260 -9.493 1.00 0.49 H new ATOM 1629 N ILE B 642 -0.338 -6.535 -8.490 1.00 0.57 N ATOM 1630 CA ILE B 642 0.339 -7.477 -7.608 1.00 0.62 C ATOM 1631 C ILE B 642 -0.611 -8.572 -7.126 1.00 0.72 C ATOM 1632 O ILE B 642 -1.828 -8.455 -7.288 1.00 0.74 O ATOM 1633 CB ILE B 642 0.982 -6.773 -6.399 1.00 0.53 C ATOM 1634 CG1 ILE B 642 0.031 -5.742 -5.801 1.00 0.49 C ATOM 1635 CG2 ILE B 642 2.293 -6.126 -6.808 1.00 0.53 C ATOM 1636 CD1 ILE B 642 0.652 -4.912 -4.703 1.00 0.55 C ATOM 0 H ILE B 642 -1.107 -6.023 -8.058 1.00 0.57 H new ATOM 0 HA ILE B 642 1.133 -7.936 -8.196 1.00 0.62 H new ATOM 0 HB ILE B 642 1.188 -7.520 -5.632 1.00 0.53 H new ATOM 0 HG12 ILE B 642 -0.318 -5.079 -6.593 1.00 0.49 H new ATOM 0 HG13 ILE B 642 -0.846 -6.255 -5.406 1.00 0.49 H new ATOM 0 HG21 ILE B 642 2.739 -5.631 -5.945 1.00 0.53 H new ATOM 0 HG22 ILE B 642 2.975 -6.890 -7.181 1.00 0.53 H new ATOM 0 HG23 ILE B 642 2.107 -5.392 -7.592 1.00 0.53 H new ATOM 0 HD11 ILE B 642 -0.082 -4.201 -4.325 1.00 0.55 H new ATOM 0 HD12 ILE B 642 0.976 -5.565 -3.892 1.00 0.55 H new ATOM 0 HD13 ILE B 642 1.512 -4.371 -5.098 1.00 0.55 H new ATOM 1648 N PRO B 643 -0.062 -9.671 -6.559 1.00 0.82 N ATOM 1649 CA PRO B 643 -0.852 -10.818 -6.082 1.00 0.95 C ATOM 1650 C PRO B 643 -1.940 -10.441 -5.086 1.00 0.90 C ATOM 1651 O PRO B 643 -1.808 -9.482 -4.324 1.00 0.81 O ATOM 1652 CB PRO B 643 0.183 -11.709 -5.392 1.00 1.03 C ATOM 1653 CG PRO B 643 1.481 -11.344 -6.009 1.00 1.05 C ATOM 1654 CD PRO B 643 1.381 -9.889 -6.358 1.00 0.83 C ATOM 0 HA PRO B 643 -1.381 -11.289 -6.911 1.00 0.95 H new ATOM 0 HB2 PRO B 643 0.196 -11.537 -4.316 1.00 1.03 H new ATOM 0 HB3 PRO B 643 -0.042 -12.765 -5.543 1.00 1.03 H new ATOM 0 HG2 PRO B 643 2.305 -11.523 -5.318 1.00 1.05 H new ATOM 0 HG3 PRO B 643 1.673 -11.946 -6.897 1.00 1.05 H new ATOM 0 HD2 PRO B 643 1.773 -9.259 -5.560 1.00 0.83 H new ATOM 0 HD3 PRO B 643 1.950 -9.654 -7.258 1.00 0.83 H new ATOM 1662 N LYS B 644 -3.018 -11.212 -5.115 1.00 1.06 N ATOM 1663 CA LYS B 644 -4.096 -11.062 -4.150 1.00 1.10 C ATOM 1664 C LYS B 644 -3.562 -11.255 -2.740 1.00 1.06 C ATOM 1665 O LYS B 644 -2.861 -12.226 -2.465 1.00 1.07 O ATOM 1666 CB LYS B 644 -5.200 -12.081 -4.405 1.00 1.25 C ATOM 1667 CG LYS B 644 -5.780 -12.019 -5.804 1.00 1.29 C ATOM 1668 CD LYS B 644 -6.975 -12.941 -5.945 1.00 1.65 C ATOM 1669 CE LYS B 644 -7.455 -13.010 -7.380 1.00 1.87 C ATOM 1670 NZ LYS B 644 -6.506 -13.758 -8.250 1.00 2.25 N ATOM 0 H LYS B 644 -3.169 -11.952 -5.801 1.00 1.06 H new ATOM 0 HA LYS B 644 -4.507 -10.058 -4.258 1.00 1.10 H new ATOM 0 HB2 LYS B 644 -4.805 -13.082 -4.230 1.00 1.25 H new ATOM 0 HB3 LYS B 644 -6.001 -11.923 -3.683 1.00 1.25 H new ATOM 0 HG2 LYS B 644 -6.078 -10.996 -6.031 1.00 1.29 H new ATOM 0 HG3 LYS B 644 -5.016 -12.297 -6.530 1.00 1.29 H new ATOM 0 HD2 LYS B 644 -6.708 -13.940 -5.601 1.00 1.65 H new ATOM 0 HD3 LYS B 644 -7.785 -12.590 -5.306 1.00 1.65 H new ATOM 0 HE2 LYS B 644 -8.433 -13.491 -7.413 1.00 1.87 H new ATOM 0 HE3 LYS B 644 -7.584 -12.000 -7.768 1.00 1.87 H new ATOM 0 HZ1 LYS B 644 -6.919 -13.870 -9.198 1.00 2.25 H new ATOM 0 HZ2 LYS B 644 -5.612 -13.232 -8.321 1.00 2.25 H new ATOM 0 HZ3 LYS B 644 -6.324 -14.696 -7.839 1.00 2.25 H new ATOM 1684 N ARG B 645 -3.918 -10.333 -1.857 1.00 1.06 N ATOM 1685 CA ARG B 645 -3.434 -10.322 -0.473 1.00 1.06 C ATOM 1686 C ARG B 645 -3.765 -11.597 0.314 1.00 1.05 C ATOM 1687 O ARG B 645 -3.328 -11.748 1.448 1.00 1.08 O ATOM 1688 CB ARG B 645 -4.010 -9.110 0.260 1.00 1.16 C ATOM 1689 CG ARG B 645 -5.510 -8.928 0.065 1.00 1.55 C ATOM 1690 CD ARG B 645 -6.229 -8.678 1.385 1.00 1.72 C ATOM 1691 NE ARG B 645 -6.292 -9.886 2.210 1.00 2.35 N ATOM 1692 CZ ARG B 645 -6.682 -9.908 3.487 1.00 2.89 C ATOM 1693 NH1 ARG B 645 -6.969 -8.776 4.127 1.00 2.92 N ATOM 1694 NH2 ARG B 645 -6.762 -11.069 4.128 1.00 3.87 N ATOM 0 H ARG B 645 -4.553 -9.566 -2.076 1.00 1.06 H new ATOM 0 HA ARG B 645 -2.347 -10.268 -0.530 1.00 1.06 H new ATOM 0 HB2 ARG B 645 -3.801 -9.209 1.325 1.00 1.16 H new ATOM 0 HB3 ARG B 645 -3.497 -8.212 -0.084 1.00 1.16 H new ATOM 0 HG2 ARG B 645 -5.689 -8.091 -0.610 1.00 1.55 H new ATOM 0 HG3 ARG B 645 -5.924 -9.816 -0.411 1.00 1.55 H new ATOM 0 HD2 ARG B 645 -5.715 -7.889 1.935 1.00 1.72 H new ATOM 0 HD3 ARG B 645 -7.240 -8.321 1.186 1.00 1.72 H new ATOM 0 HE ARG B 645 -6.020 -10.770 1.780 1.00 2.35 H new ATOM 0 HH11 ARG B 645 -6.892 -7.882 3.642 1.00 2.92 H new ATOM 0 HH12 ARG B 645 -7.266 -8.803 5.102 1.00 2.92 H new ATOM 0 HH21 ARG B 645 -6.526 -11.936 3.645 1.00 3.87 H new ATOM 0 HH22 ARG B 645 -7.059 -11.094 5.103 1.00 3.87 H new ATOM 1708 N GLN B 646 -4.549 -12.487 -0.268 1.00 1.11 N ATOM 1709 CA GLN B 646 -4.877 -13.749 0.396 1.00 1.17 C ATOM 1710 C GLN B 646 -3.793 -14.794 0.136 1.00 1.20 C ATOM 1711 O GLN B 646 -3.626 -15.737 0.907 1.00 1.26 O ATOM 1712 CB GLN B 646 -6.240 -14.271 -0.074 1.00 1.26 C ATOM 1713 CG GLN B 646 -6.298 -14.604 -1.557 1.00 1.46 C ATOM 1714 CD GLN B 646 -7.639 -15.179 -1.970 1.00 1.99 C ATOM 1715 OE1 GLN B 646 -8.550 -14.448 -2.354 1.00 2.61 O ATOM 1716 NE2 GLN B 646 -7.768 -16.496 -1.889 1.00 2.10 N ATOM 0 H GLN B 646 -4.970 -12.367 -1.189 1.00 1.11 H new ATOM 0 HA GLN B 646 -4.929 -13.562 1.469 1.00 1.17 H new ATOM 0 HB2 GLN B 646 -6.493 -15.164 0.498 1.00 1.26 H new ATOM 0 HB3 GLN B 646 -7.001 -13.523 0.150 1.00 1.26 H new ATOM 0 HG2 GLN B 646 -6.098 -13.703 -2.137 1.00 1.46 H new ATOM 0 HG3 GLN B 646 -5.510 -15.318 -1.797 1.00 1.46 H new ATOM 0 HE21 GLN B 646 -6.987 -17.066 -1.565 1.00 2.10 H new ATOM 0 HE22 GLN B 646 -8.649 -16.939 -2.151 1.00 2.10 H new ATOM 1725 N TYR B 647 -3.078 -14.624 -0.971 1.00 1.25 N ATOM 1726 CA TYR B 647 -2.003 -15.541 -1.349 1.00 1.33 C ATOM 1727 C TYR B 647 -0.803 -15.443 -0.408 1.00 1.38 C ATOM 1728 O TYR B 647 0.133 -16.237 -0.509 1.00 1.55 O ATOM 1729 CB TYR B 647 -1.543 -15.288 -2.789 1.00 1.39 C ATOM 1730 CG TYR B 647 -2.602 -15.551 -3.834 1.00 1.46 C ATOM 1731 CD1 TYR B 647 -3.386 -16.697 -3.789 1.00 1.56 C ATOM 1732 CD2 TYR B 647 -2.819 -14.651 -4.869 1.00 1.52 C ATOM 1733 CE1 TYR B 647 -4.356 -16.935 -4.744 1.00 1.70 C ATOM 1734 CE2 TYR B 647 -3.787 -14.880 -5.824 1.00 1.64 C ATOM 1735 CZ TYR B 647 -4.553 -16.020 -5.757 1.00 1.74 C ATOM 1736 OH TYR B 647 -5.519 -16.243 -6.710 1.00 1.90 O ATOM 0 H TYR B 647 -3.223 -13.856 -1.627 1.00 1.25 H new ATOM 0 HA TYR B 647 -2.415 -16.547 -1.272 1.00 1.33 H new ATOM 0 HB2 TYR B 647 -1.212 -14.253 -2.876 1.00 1.39 H new ATOM 0 HB3 TYR B 647 -0.678 -15.918 -2.998 1.00 1.39 H new ATOM 0 HD1 TYR B 647 -3.235 -17.413 -2.995 1.00 1.56 H new ATOM 0 HD2 TYR B 647 -2.219 -13.755 -4.927 1.00 1.52 H new ATOM 0 HE1 TYR B 647 -4.956 -17.832 -4.697 1.00 1.70 H new ATOM 0 HE2 TYR B 647 -3.943 -14.168 -6.621 1.00 1.64 H new ATOM 0 HH TYR B 647 -6.251 -16.763 -6.318 1.00 1.90 H new ATOM 1808 N LEU B 652 2.027 -8.538 7.954 1.00 1.24 N ATOM 1809 CA LEU B 652 3.316 -8.276 7.327 1.00 0.65 C ATOM 1810 C LEU B 652 4.035 -7.179 8.096 1.00 0.61 C ATOM 1811 O LEU B 652 5.100 -7.380 8.674 1.00 1.04 O ATOM 1812 CB LEU B 652 3.118 -7.813 5.878 1.00 1.15 C ATOM 1813 CG LEU B 652 2.282 -8.733 4.985 1.00 1.20 C ATOM 1814 CD1 LEU B 652 2.163 -8.142 3.592 1.00 2.09 C ATOM 1815 CD2 LEU B 652 2.885 -10.123 4.916 1.00 1.12 C ATOM 0 HA LEU B 652 3.904 -9.194 7.336 1.00 0.65 H new ATOM 0 HB2 LEU B 652 2.648 -6.830 5.893 1.00 1.15 H new ATOM 0 HB3 LEU B 652 4.099 -7.690 5.420 1.00 1.15 H new ATOM 0 HG LEU B 652 1.287 -8.818 5.422 1.00 1.20 H new ATOM 0 HD11 LEU B 652 1.566 -8.805 2.965 1.00 2.09 H new ATOM 0 HD12 LEU B 652 1.681 -7.166 3.651 1.00 2.09 H new ATOM 0 HD13 LEU B 652 3.157 -8.030 3.158 1.00 2.09 H new ATOM 0 HD21 LEU B 652 2.270 -10.755 4.275 1.00 1.12 H new ATOM 0 HD22 LEU B 652 3.893 -10.062 4.506 1.00 1.12 H new ATOM 0 HD23 LEU B 652 2.925 -10.552 5.917 1.00 1.12 H new ATOM 1827 N LEU B 653 3.408 -6.019 8.089 1.00 0.41 N ATOM 1828 CA LEU B 653 3.905 -4.827 8.751 1.00 0.31 C ATOM 1829 C LEU B 653 2.728 -4.144 9.421 1.00 0.30 C ATOM 1830 O LEU B 653 1.586 -4.334 9.000 1.00 0.56 O ATOM 1831 CB LEU B 653 4.550 -3.866 7.746 1.00 0.32 C ATOM 1832 CG LEU B 653 5.765 -4.398 6.977 1.00 0.37 C ATOM 1833 CD1 LEU B 653 6.195 -3.382 5.931 1.00 0.44 C ATOM 1834 CD2 LEU B 653 6.921 -4.710 7.927 1.00 0.36 C ATOM 0 H LEU B 653 2.518 -5.875 7.612 1.00 0.41 H new ATOM 0 HA LEU B 653 4.665 -5.106 9.481 1.00 0.31 H new ATOM 0 HB2 LEU B 653 3.791 -3.569 7.022 1.00 0.32 H new ATOM 0 HB3 LEU B 653 4.852 -2.965 8.280 1.00 0.32 H new ATOM 0 HG LEU B 653 5.483 -5.326 6.479 1.00 0.37 H new ATOM 0 HD11 LEU B 653 7.059 -3.764 5.387 1.00 0.44 H new ATOM 0 HD12 LEU B 653 5.375 -3.208 5.234 1.00 0.44 H new ATOM 0 HD13 LEU B 653 6.460 -2.445 6.421 1.00 0.44 H new ATOM 0 HD21 LEU B 653 7.770 -5.086 7.356 1.00 0.36 H new ATOM 0 HD22 LEU B 653 7.212 -3.803 8.456 1.00 0.36 H new ATOM 0 HD23 LEU B 653 6.606 -5.465 8.648 1.00 0.36 H new ATOM 1846 N ASP B 654 2.980 -3.356 10.453 1.00 0.31 N ATOM 1847 CA ASP B 654 1.877 -2.711 11.150 1.00 0.28 C ATOM 1848 C ASP B 654 1.605 -1.379 10.477 1.00 0.23 C ATOM 1849 O ASP B 654 2.340 -0.409 10.671 1.00 0.29 O ATOM 1850 CB ASP B 654 2.167 -2.506 12.643 1.00 0.38 C ATOM 1851 CG ASP B 654 1.016 -1.834 13.382 1.00 1.10 C ATOM 1852 OD1 ASP B 654 0.793 -0.620 13.177 1.00 1.84 O ATOM 1853 OD2 ASP B 654 0.346 -2.513 14.188 1.00 1.46 O ATOM 0 H ASP B 654 3.909 -3.150 10.820 1.00 0.31 H new ATOM 0 HA ASP B 654 1.002 -3.359 11.093 1.00 0.28 H new ATOM 0 HB2 ASP B 654 2.374 -3.472 13.104 1.00 0.38 H new ATOM 0 HB3 ASP B 654 3.067 -1.900 12.754 1.00 0.38 H new ATOM 1858 N ALA B 655 0.599 -1.385 9.611 1.00 0.22 N ATOM 1859 CA ALA B 655 0.130 -0.204 8.893 1.00 0.24 C ATOM 1860 C ALA B 655 0.180 1.086 9.688 1.00 0.22 C ATOM 1861 O ALA B 655 0.577 2.119 9.156 1.00 0.28 O ATOM 1862 CB ALA B 655 -1.292 -0.442 8.482 1.00 0.30 C ATOM 0 H ALA B 655 0.074 -2.229 9.383 1.00 0.22 H new ATOM 0 HA ALA B 655 0.806 -0.071 8.048 1.00 0.24 H new ATOM 0 HB1 ALA B 655 -1.665 0.428 7.943 1.00 0.30 H new ATOM 0 HB2 ALA B 655 -1.342 -1.318 7.836 1.00 0.30 H new ATOM 0 HB3 ALA B 655 -1.904 -0.609 9.368 1.00 0.30 H new ATOM 1868 N GLN B 656 -0.229 1.038 10.945 1.00 0.20 N ATOM 1869 CA GLN B 656 -0.264 2.244 11.736 1.00 0.22 C ATOM 1870 C GLN B 656 1.136 2.759 11.912 1.00 0.23 C ATOM 1871 O GLN B 656 1.413 3.901 11.585 1.00 0.31 O ATOM 1872 CB GLN B 656 -0.938 2.029 13.080 1.00 0.25 C ATOM 1873 CG GLN B 656 -2.399 2.398 13.040 1.00 0.35 C ATOM 1874 CD GLN B 656 -3.113 2.153 14.352 1.00 0.89 C ATOM 1875 OE1 GLN B 656 -2.743 1.270 15.125 1.00 1.67 O ATOM 1876 NE2 GLN B 656 -4.145 2.938 14.614 1.00 1.66 N ATOM 0 H GLN B 656 -0.535 0.193 11.427 1.00 0.20 H new ATOM 0 HA GLN B 656 -0.862 2.985 11.206 1.00 0.22 H new ATOM 0 HB2 GLN B 656 -0.835 0.985 13.375 1.00 0.25 H new ATOM 0 HB3 GLN B 656 -0.433 2.626 13.839 1.00 0.25 H new ATOM 0 HG2 GLN B 656 -2.494 3.451 12.773 1.00 0.35 H new ATOM 0 HG3 GLN B 656 -2.890 1.825 12.254 1.00 0.35 H new ATOM 0 HE21 GLN B 656 -4.420 3.659 13.947 1.00 1.66 H new ATOM 0 HE22 GLN B 656 -4.666 2.823 15.483 1.00 1.66 H new ATOM 1885 N LYS B 657 2.030 1.887 12.355 1.00 0.21 N ATOM 1886 CA LYS B 657 3.420 2.269 12.578 1.00 0.26 C ATOM 1887 C LYS B 657 4.048 2.758 11.281 1.00 0.23 C ATOM 1888 O LYS B 657 4.861 3.675 11.290 1.00 0.26 O ATOM 1889 CB LYS B 657 4.235 1.102 13.137 1.00 0.36 C ATOM 1890 CG LYS B 657 3.574 0.396 14.303 1.00 0.44 C ATOM 1891 CD LYS B 657 3.106 1.372 15.362 1.00 0.79 C ATOM 1892 CE LYS B 657 2.850 0.667 16.682 1.00 1.31 C ATOM 1893 NZ LYS B 657 2.375 1.604 17.735 1.00 1.90 N ATOM 0 H LYS B 657 1.820 0.912 12.567 1.00 0.21 H new ATOM 0 HA LYS B 657 3.428 3.076 13.311 1.00 0.26 H new ATOM 0 HB2 LYS B 657 4.411 0.380 12.340 1.00 0.36 H new ATOM 0 HB3 LYS B 657 5.210 1.471 13.454 1.00 0.36 H new ATOM 0 HG2 LYS B 657 2.724 -0.183 13.942 1.00 0.44 H new ATOM 0 HG3 LYS B 657 4.277 -0.310 14.745 1.00 0.44 H new ATOM 0 HD2 LYS B 657 3.857 2.150 15.501 1.00 0.79 H new ATOM 0 HD3 LYS B 657 2.194 1.866 15.028 1.00 0.79 H new ATOM 0 HE2 LYS B 657 2.108 -0.118 16.535 1.00 1.31 H new ATOM 0 HE3 LYS B 657 3.767 0.181 17.017 1.00 1.31 H new ATOM 0 HZ1 LYS B 657 2.213 1.080 18.619 1.00 1.90 H new ATOM 0 HZ2 LYS B 657 3.093 2.339 17.895 1.00 1.90 H new ATOM 0 HZ3 LYS B 657 1.486 2.049 17.429 1.00 1.90 H new ATOM 1907 N LEU B 658 3.648 2.149 10.167 1.00 0.25 N ATOM 1908 CA LEU B 658 4.135 2.548 8.849 1.00 0.24 C ATOM 1909 C LEU B 658 3.634 3.942 8.497 1.00 0.23 C ATOM 1910 O LEU B 658 4.363 4.748 7.929 1.00 0.24 O ATOM 1911 CB LEU B 658 3.699 1.526 7.786 1.00 0.25 C ATOM 1912 CG LEU B 658 4.024 1.897 6.335 1.00 0.25 C ATOM 1913 CD1 LEU B 658 5.505 2.201 6.159 1.00 0.27 C ATOM 1914 CD2 LEU B 658 3.603 0.775 5.402 1.00 0.27 C ATOM 0 H LEU B 658 2.985 1.374 10.151 1.00 0.25 H new ATOM 0 HA LEU B 658 5.224 2.574 8.872 1.00 0.24 H new ATOM 0 HB2 LEU B 658 4.172 0.570 8.012 1.00 0.25 H new ATOM 0 HB3 LEU B 658 2.623 1.377 7.871 1.00 0.25 H new ATOM 0 HG LEU B 658 3.465 2.799 6.085 1.00 0.25 H new ATOM 0 HD11 LEU B 658 5.702 2.460 5.119 1.00 0.27 H new ATOM 0 HD12 LEU B 658 5.784 3.037 6.801 1.00 0.27 H new ATOM 0 HD13 LEU B 658 6.091 1.323 6.431 1.00 0.27 H new ATOM 0 HD21 LEU B 658 3.839 1.049 4.374 1.00 0.27 H new ATOM 0 HD22 LEU B 658 4.138 -0.137 5.666 1.00 0.27 H new ATOM 0 HD23 LEU B 658 2.530 0.607 5.496 1.00 0.27 H new ATOM 1926 N VAL B 659 2.400 4.230 8.860 1.00 0.24 N ATOM 1927 CA VAL B 659 1.829 5.546 8.622 1.00 0.24 C ATOM 1928 C VAL B 659 2.437 6.580 9.564 1.00 0.24 C ATOM 1929 O VAL B 659 2.776 7.687 9.140 1.00 0.27 O ATOM 1930 CB VAL B 659 0.295 5.535 8.757 1.00 0.25 C ATOM 1931 CG1 VAL B 659 -0.259 6.948 8.750 1.00 0.30 C ATOM 1932 CG2 VAL B 659 -0.320 4.728 7.630 1.00 0.28 C ATOM 0 H VAL B 659 1.771 3.572 9.321 1.00 0.24 H new ATOM 0 HA VAL B 659 2.071 5.823 7.596 1.00 0.24 H new ATOM 0 HB VAL B 659 0.038 5.072 9.710 1.00 0.25 H new ATOM 0 HG11 VAL B 659 -1.344 6.914 8.847 1.00 0.30 H new ATOM 0 HG12 VAL B 659 0.162 7.508 9.585 1.00 0.30 H new ATOM 0 HG13 VAL B 659 0.007 7.438 7.813 1.00 0.30 H new ATOM 0 HG21 VAL B 659 -1.405 4.726 7.734 1.00 0.28 H new ATOM 0 HG22 VAL B 659 -0.048 5.173 6.673 1.00 0.28 H new ATOM 0 HG23 VAL B 659 0.050 3.704 7.672 1.00 0.28 H new ATOM 1942 N ASN B 660 2.601 6.213 10.840 1.00 0.25 N ATOM 1943 CA ASN B 660 3.265 7.082 11.796 1.00 0.28 C ATOM 1944 C ASN B 660 4.664 7.379 11.268 1.00 0.26 C ATOM 1945 O ASN B 660 5.181 8.488 11.385 1.00 0.30 O ATOM 1946 CB ASN B 660 3.401 6.434 13.189 1.00 0.37 C ATOM 1947 CG ASN B 660 2.227 5.618 13.682 1.00 0.80 C ATOM 1948 OD1 ASN B 660 2.413 4.659 14.428 1.00 1.64 O ATOM 1949 ND2 ASN B 660 1.018 5.975 13.307 1.00 0.51 N ATOM 0 H ASN B 660 2.282 5.324 11.225 1.00 0.25 H new ATOM 0 HA ASN B 660 2.664 7.984 11.907 1.00 0.28 H new ATOM 0 HB2 ASN B 660 4.281 5.791 13.179 1.00 0.37 H new ATOM 0 HB3 ASN B 660 3.592 7.225 13.914 1.00 0.37 H new ATOM 0 HD21 ASN B 660 0.207 5.452 13.636 1.00 0.51 H new ATOM 0 HD22 ASN B 660 0.892 6.775 12.687 1.00 0.51 H new ATOM 1956 N PHE B 661 5.250 6.357 10.659 1.00 0.24 N ATOM 1957 CA PHE B 661 6.603 6.412 10.137 1.00 0.26 C ATOM 1958 C PHE B 661 6.692 7.257 8.867 1.00 0.27 C ATOM 1959 O PHE B 661 7.577 8.095 8.748 1.00 0.30 O ATOM 1960 CB PHE B 661 7.075 4.982 9.869 1.00 0.29 C ATOM 1961 CG PHE B 661 8.486 4.840 9.382 1.00 0.30 C ATOM 1962 CD1 PHE B 661 9.525 5.396 10.105 1.00 0.37 C ATOM 1963 CD2 PHE B 661 8.770 4.183 8.197 1.00 0.30 C ATOM 1964 CE1 PHE B 661 10.827 5.302 9.656 1.00 0.41 C ATOM 1965 CE2 PHE B 661 10.072 4.079 7.744 1.00 0.34 C ATOM 1966 CZ PHE B 661 11.093 4.518 8.486 1.00 0.37 C ATOM 0 H PHE B 661 4.792 5.458 10.513 1.00 0.24 H new ATOM 0 HA PHE B 661 7.248 6.891 10.874 1.00 0.26 H new ATOM 0 HB2 PHE B 661 6.968 4.406 10.788 1.00 0.29 H new ATOM 0 HB3 PHE B 661 6.410 4.532 9.132 1.00 0.29 H new ATOM 0 HD1 PHE B 661 9.316 5.910 11.032 1.00 0.37 H new ATOM 0 HD2 PHE B 661 7.967 3.748 7.621 1.00 0.30 H new ATOM 0 HE1 PHE B 661 11.628 5.808 10.175 1.00 0.41 H new ATOM 0 HE2 PHE B 661 10.266 3.637 6.778 1.00 0.34 H new ATOM 0 HZ PHE B 661 12.110 4.284 8.207 1.00 0.37 H new ATOM 1976 N LEU B 662 5.755 7.085 7.939 1.00 0.27 N ATOM 1977 CA LEU B 662 5.860 7.707 6.621 1.00 0.28 C ATOM 1978 C LEU B 662 5.435 9.171 6.680 1.00 0.27 C ATOM 1979 O LEU B 662 5.851 9.985 5.857 1.00 0.29 O ATOM 1980 CB LEU B 662 4.978 6.948 5.620 1.00 0.29 C ATOM 1981 CG LEU B 662 5.043 7.427 4.163 1.00 0.31 C ATOM 1982 CD1 LEU B 662 6.426 7.192 3.582 1.00 0.38 C ATOM 1983 CD2 LEU B 662 3.989 6.721 3.322 1.00 0.31 C ATOM 0 H LEU B 662 4.916 6.521 8.074 1.00 0.27 H new ATOM 0 HA LEU B 662 6.900 7.663 6.297 1.00 0.28 H new ATOM 0 HB2 LEU B 662 5.257 5.895 5.647 1.00 0.29 H new ATOM 0 HB3 LEU B 662 3.943 7.013 5.957 1.00 0.29 H new ATOM 0 HG LEU B 662 4.840 8.498 4.147 1.00 0.31 H new ATOM 0 HD11 LEU B 662 6.450 7.538 2.549 1.00 0.38 H new ATOM 0 HD12 LEU B 662 7.164 7.741 4.166 1.00 0.38 H new ATOM 0 HD13 LEU B 662 6.658 6.127 3.613 1.00 0.38 H new ATOM 0 HD21 LEU B 662 4.050 7.073 2.292 1.00 0.31 H new ATOM 0 HD22 LEU B 662 4.163 5.645 3.349 1.00 0.31 H new ATOM 0 HD23 LEU B 662 2.999 6.939 3.722 1.00 0.31 H new ATOM 1995 N ASN B 663 4.613 9.495 7.667 1.00 0.29 N ATOM 1996 CA ASN B 663 4.092 10.847 7.830 1.00 0.36 C ATOM 1997 C ASN B 663 5.043 11.689 8.681 1.00 0.37 C ATOM 1998 O ASN B 663 5.351 12.831 8.341 1.00 0.43 O ATOM 1999 CB ASN B 663 2.681 10.784 8.449 1.00 0.56 C ATOM 2000 CG ASN B 663 2.140 12.123 8.924 1.00 1.05 C ATOM 2001 OD1 ASN B 663 2.485 13.178 8.404 1.00 1.93 O ATOM 2002 ND2 ASN B 663 1.259 12.079 9.911 1.00 1.07 N ATOM 0 H ASN B 663 4.289 8.835 8.374 1.00 0.29 H new ATOM 0 HA ASN B 663 4.018 11.328 6.855 1.00 0.36 H new ATOM 0 HB2 ASN B 663 1.993 10.369 7.712 1.00 0.56 H new ATOM 0 HB3 ASN B 663 2.699 10.094 9.292 1.00 0.56 H new ATOM 0 HD21 ASN B 663 0.844 12.942 10.263 1.00 1.07 H new ATOM 0 HD22 ASN B 663 0.995 11.182 10.320 1.00 1.07 H new ATOM 2009 N ASP B 664 5.525 11.111 9.772 1.00 0.38 N ATOM 2010 CA ASP B 664 6.348 11.847 10.728 1.00 0.43 C ATOM 2011 C ASP B 664 7.851 11.681 10.472 1.00 0.43 C ATOM 2012 O ASP B 664 8.623 12.621 10.659 1.00 0.56 O ATOM 2013 CB ASP B 664 6.001 11.395 12.150 1.00 0.50 C ATOM 2014 CG ASP B 664 6.874 12.036 13.212 1.00 0.56 C ATOM 2015 OD1 ASP B 664 6.877 13.280 13.314 1.00 0.62 O ATOM 2016 OD2 ASP B 664 7.591 11.299 13.924 1.00 0.64 O ATOM 0 H ASP B 664 5.362 10.135 10.019 1.00 0.38 H new ATOM 0 HA ASP B 664 6.126 12.907 10.603 1.00 0.43 H new ATOM 0 HB2 ASP B 664 4.957 11.633 12.355 1.00 0.50 H new ATOM 0 HB3 ASP B 664 6.099 10.311 12.214 1.00 0.50 H new ATOM 2021 N GLN B 665 8.268 10.501 10.024 1.00 0.33 N ATOM 2022 CA GLN B 665 9.690 10.157 10.040 1.00 0.34 C ATOM 2023 C GLN B 665 10.302 9.956 8.649 1.00 0.32 C ATOM 2024 O GLN B 665 11.524 9.870 8.526 1.00 0.46 O ATOM 2025 CB GLN B 665 9.896 8.895 10.877 1.00 0.40 C ATOM 2026 CG GLN B 665 9.548 9.074 12.346 1.00 0.53 C ATOM 2027 CD GLN B 665 9.458 7.758 13.091 1.00 1.29 C ATOM 2028 OE1 GLN B 665 8.261 7.199 13.152 1.00 1.58 O flip ATOM 2029 NE2 GLN B 665 10.450 7.255 13.620 1.00 2.26 N flip ATOM 0 H GLN B 665 7.655 9.776 9.651 1.00 0.33 H new ATOM 0 HA GLN B 665 10.208 11.010 10.478 1.00 0.34 H new ATOM 0 HB2 GLN B 665 9.286 8.092 10.463 1.00 0.40 H new ATOM 0 HB3 GLN B 665 10.936 8.581 10.795 1.00 0.40 H new ATOM 0 HG2 GLN B 665 10.301 9.704 12.819 1.00 0.53 H new ATOM 0 HG3 GLN B 665 8.596 9.599 12.428 1.00 0.53 H new ATOM 0 HE21 GLN B 665 11.356 7.719 13.549 1.00 2.26 H new ATOM 0 HE22 GLN B 665 10.366 6.375 14.129 1.00 2.26 H new ATOM 2038 N VAL B 666 9.487 9.892 7.603 1.00 0.27 N ATOM 2039 CA VAL B 666 10.005 9.596 6.271 1.00 0.25 C ATOM 2040 C VAL B 666 9.889 10.809 5.350 1.00 0.24 C ATOM 2041 O VAL B 666 8.932 11.579 5.433 1.00 0.27 O ATOM 2042 CB VAL B 666 9.283 8.383 5.622 1.00 0.27 C ATOM 2043 CG1 VAL B 666 9.797 8.130 4.213 1.00 0.33 C ATOM 2044 CG2 VAL B 666 9.458 7.128 6.462 1.00 0.31 C ATOM 0 H VAL B 666 8.479 10.039 7.648 1.00 0.27 H new ATOM 0 HA VAL B 666 11.057 9.342 6.398 1.00 0.25 H new ATOM 0 HB VAL B 666 8.222 8.627 5.571 1.00 0.27 H new ATOM 0 HG11 VAL B 666 9.274 7.276 3.783 1.00 0.33 H new ATOM 0 HG12 VAL B 666 9.619 9.012 3.597 1.00 0.33 H new ATOM 0 HG13 VAL B 666 10.866 7.921 4.248 1.00 0.33 H new ATOM 0 HG21 VAL B 666 8.942 6.295 5.984 1.00 0.31 H new ATOM 0 HG22 VAL B 666 10.519 6.895 6.551 1.00 0.31 H new ATOM 0 HG23 VAL B 666 9.038 7.293 7.454 1.00 0.31 H new ATOM 2054 N GLU B 667 10.875 10.955 4.480 1.00 0.27 N ATOM 2055 CA GLU B 667 10.873 11.982 3.453 1.00 0.34 C ATOM 2056 C GLU B 667 11.290 11.337 2.140 1.00 0.32 C ATOM 2057 O GLU B 667 12.435 10.912 1.991 1.00 0.33 O ATOM 2058 CB GLU B 667 11.829 13.125 3.808 1.00 0.44 C ATOM 2059 CG GLU B 667 11.484 13.845 5.102 1.00 0.60 C ATOM 2060 CD GLU B 667 12.396 15.024 5.364 1.00 1.04 C ATOM 2061 OE1 GLU B 667 13.580 14.805 5.696 1.00 1.72 O ATOM 2062 OE2 GLU B 667 11.929 16.178 5.252 1.00 1.26 O ATOM 0 H GLU B 667 11.704 10.360 4.467 1.00 0.27 H new ATOM 0 HA GLU B 667 9.874 12.410 3.369 1.00 0.34 H new ATOM 0 HB2 GLU B 667 12.841 12.727 3.885 1.00 0.44 H new ATOM 0 HB3 GLU B 667 11.832 13.848 2.992 1.00 0.44 H new ATOM 0 HG2 GLU B 667 10.451 14.190 5.059 1.00 0.60 H new ATOM 0 HG3 GLU B 667 11.551 13.144 5.934 1.00 0.60 H new ATOM 2069 N ILE B 668 10.365 11.234 1.200 1.00 0.34 N ATOM 2070 CA ILE B 668 10.628 10.504 -0.027 1.00 0.35 C ATOM 2071 C ILE B 668 11.546 11.308 -0.943 1.00 0.30 C ATOM 2072 O ILE B 668 11.212 12.422 -1.345 1.00 0.30 O ATOM 2073 CB ILE B 668 9.323 10.158 -0.772 1.00 0.45 C ATOM 2074 CG1 ILE B 668 8.288 9.561 0.192 1.00 0.47 C ATOM 2075 CG2 ILE B 668 9.613 9.179 -1.905 1.00 0.51 C ATOM 2076 CD1 ILE B 668 8.715 8.247 0.809 1.00 0.46 C ATOM 0 H ILE B 668 9.433 11.643 1.263 1.00 0.34 H new ATOM 0 HA ILE B 668 11.121 9.572 0.249 1.00 0.35 H new ATOM 0 HB ILE B 668 8.911 11.076 -1.191 1.00 0.45 H new ATOM 0 HG12 ILE B 668 8.091 10.279 0.988 1.00 0.47 H new ATOM 0 HG13 ILE B 668 7.350 9.413 -0.343 1.00 0.47 H new ATOM 0 HG21 ILE B 668 8.686 8.940 -2.426 1.00 0.51 H new ATOM 0 HG22 ILE B 668 10.316 9.630 -2.605 1.00 0.51 H new ATOM 0 HG23 ILE B 668 10.045 8.266 -1.495 1.00 0.51 H new ATOM 0 HD11 ILE B 668 7.933 7.888 1.478 1.00 0.46 H new ATOM 0 HD12 ILE B 668 8.884 7.513 0.021 1.00 0.46 H new ATOM 0 HD13 ILE B 668 9.636 8.392 1.373 1.00 0.46 H new ATOM 2088 N PRO B 669 12.727 10.746 -1.251 1.00 0.37 N ATOM 2089 CA PRO B 669 13.735 11.375 -2.108 1.00 0.43 C ATOM 2090 C PRO B 669 13.156 11.957 -3.392 1.00 0.52 C ATOM 2091 O PRO B 669 12.712 11.229 -4.279 1.00 0.71 O ATOM 2092 CB PRO B 669 14.681 10.220 -2.432 1.00 0.46 C ATOM 2093 CG PRO B 669 14.582 9.308 -1.268 1.00 0.79 C ATOM 2094 CD PRO B 669 13.175 9.436 -0.756 1.00 0.54 C ATOM 0 HA PRO B 669 14.208 12.223 -1.613 1.00 0.43 H new ATOM 0 HB2 PRO B 669 14.389 9.717 -3.354 1.00 0.46 H new ATOM 0 HB3 PRO B 669 15.703 10.573 -2.571 1.00 0.46 H new ATOM 0 HG2 PRO B 669 14.799 8.280 -1.559 1.00 0.79 H new ATOM 0 HG3 PRO B 669 15.303 9.580 -0.497 1.00 0.79 H new ATOM 0 HD2 PRO B 669 12.541 8.632 -1.129 1.00 0.54 H new ATOM 0 HD3 PRO B 669 13.142 9.389 0.332 1.00 0.54 H new