USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1242 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 TYR OH : rot 62:sc= 0.0206 USER MOD Set 1.2: A 70 GLN : amide:sc= 0.418 K(o=-0.89,f=-1.8) USER MOD Set 1.3: A 98 HIS :FLIP no HD1:sc= -1.33 F(o=-1.6,f=-0.89) USER MOD Set 2.1: A 31 SER OG : rot 34:sc= 1.22 USER MOD Set 2.2: A 34 GLN : amide:sc= 1.11 K(o=2.3,f=-3.6!) USER MOD Single : A 7 TYR OH : rot 165:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0616 K(o=-0.062,f=-1.2) USER MOD Single : A 15 LYS NZ :NH3+ 174:sc= 1.19 (180deg=1.08) USER MOD Single : A 25 GLN : amide:sc= 0.724 K(o=0.72,f=0) USER MOD Single : A 32 GLN : amide:sc= 0.592 K(o=0.59,f=-5.9!) USER MOD Single : A 36 LYS NZ :NH3+ -130:sc= 0.972 (180deg=-0.344) USER MOD Single : A 45 THR OG1 : rot -31:sc= 1.23 USER MOD Single : A 47 CYS SG : rot 81:sc= -0.736 USER MOD Single : A 51 CYS SG : rot 28:sc= 0.0441 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 38:sc= 1.24 USER MOD Single : A 59 LYS NZ :NH3+ 135:sc= -0.229 (180deg=-2.02!) USER MOD Single : A 64 LYS NZ :NH3+ 149:sc= 0.755 (180deg=-0.611) USER MOD Single : A 68 LYS NZ :NH3+ 159:sc= 1.26 (180deg=0.564) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 79 SER OG : rot -104:sc= 1.21 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -162:sc= 0.633 (180deg=0.306!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 81:sc= 1.27 USER MOD Single : A 107 SER OG : rot -85:sc= 1.23 USER MOD Single : A 116 GLN : amide:sc= 1.2 K(o=1.2,f=-0.021) USER MOD Single : A 117 THR OG1 : rot 86:sc= 1.07 USER MOD Single : A 122 TYR OH : rot 150:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 1.22 K(o=1.2,f=-0.0062) USER MOD Single : A 124 LYS NZ :NH3+ -155:sc= 0.714 (180deg=-0.0972) USER MOD Single : A 137 HIS :FLIP no HE2:sc= -2.17 F(o=-3.2,f=-2.2) USER MOD Single : A 138 THR OG1 : rot 81:sc= 1.09 USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot -38:sc= 0.308 USER MOD Single : A 145 LYS NZ :NH3+ -160:sc= 1.17 (180deg=0.333) USER MOD Single : A 153 TYR OH : rot 42:sc= 0.424 USER MOD Single : A 154 SER OG : rot 58:sc= 1.27 USER MOD Single : A 157 LYS NZ :NH3+ 155:sc= 2.08 (180deg=0.253) USER MOD Single : A 161 THR OG1 : rot -84:sc= 1.14 USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 89 N TYR A 7 15.531 5.782 5.323 1.00 1.93 N ATOM 90 CA TYR A 7 15.582 4.404 4.795 1.00 1.81 C ATOM 91 C TYR A 7 14.705 4.188 3.551 1.00 2.12 C ATOM 92 O TYR A 7 13.696 4.861 3.374 1.00 4.05 O ATOM 93 CB TYR A 7 15.169 3.359 5.850 1.00 1.88 C ATOM 94 CG TYR A 7 15.716 1.954 5.673 1.00 1.42 C ATOM 95 CD1 TYR A 7 17.091 1.753 5.438 1.00 2.56 C ATOM 96 CD2 TYR A 7 14.868 0.840 5.836 1.00 2.14 C ATOM 97 CE1 TYR A 7 17.611 0.452 5.323 1.00 3.25 C ATOM 98 CE2 TYR A 7 15.389 -0.465 5.751 1.00 2.25 C ATOM 99 CZ TYR A 7 16.761 -0.664 5.479 1.00 2.56 C ATOM 100 OH TYR A 7 17.272 -1.925 5.383 1.00 3.51 O ATOM 0 HA TYR A 7 16.627 4.267 4.516 1.00 1.81 H new ATOM 0 HB2 TYR A 7 15.480 3.724 6.829 1.00 1.88 H new ATOM 0 HB3 TYR A 7 14.081 3.301 5.862 1.00 1.88 H new ATOM 0 HD1 TYR A 7 17.749 2.604 5.346 1.00 2.56 H new ATOM 0 HD2 TYR A 7 13.815 0.988 6.027 1.00 2.14 H new ATOM 0 HE1 TYR A 7 18.661 0.306 5.115 1.00 3.25 H new ATOM 0 HE2 TYR A 7 14.739 -1.315 5.894 1.00 2.25 H new ATOM 0 HH TYR A 7 16.627 -2.568 5.746 1.00 3.51 H new ATOM 110 N GLY A 8 15.040 3.161 2.760 1.00 1.18 N ATOM 111 CA GLY A 8 14.346 2.733 1.536 1.00 1.12 C ATOM 112 C GLY A 8 15.024 3.302 0.285 1.00 1.14 C ATOM 113 O GLY A 8 16.068 3.947 0.394 1.00 1.45 O ATOM 0 H GLY A 8 15.847 2.573 2.967 1.00 1.18 H new ATOM 0 HA2 GLY A 8 14.335 1.644 1.483 1.00 1.12 H new ATOM 0 HA3 GLY A 8 13.307 3.061 1.571 1.00 1.12 H new ATOM 117 N THR A 9 14.460 3.064 -0.906 1.00 0.95 N ATOM 118 CA THR A 9 14.997 3.647 -2.149 1.00 1.04 C ATOM 119 C THR A 9 14.371 5.018 -2.351 1.00 1.31 C ATOM 120 O THR A 9 13.260 5.143 -2.874 1.00 1.28 O ATOM 121 CB THR A 9 14.796 2.763 -3.379 1.00 1.23 C ATOM 122 OG1 THR A 9 14.966 1.413 -3.026 1.00 1.32 O ATOM 123 CG2 THR A 9 15.806 3.092 -4.477 1.00 1.52 C ATOM 0 H THR A 9 13.637 2.476 -1.038 1.00 0.95 H new ATOM 0 HA THR A 9 16.078 3.733 -2.036 1.00 1.04 H new ATOM 0 HB THR A 9 13.788 2.947 -3.751 1.00 1.23 H new ATOM 0 HG1 THR A 9 14.835 0.849 -3.817 1.00 1.32 H new ATOM 0 HG21 THR A 9 15.633 2.444 -5.336 1.00 1.52 H new ATOM 0 HG22 THR A 9 15.690 4.133 -4.778 1.00 1.52 H new ATOM 0 HG23 THR A 9 16.817 2.934 -4.101 1.00 1.52 H new ATOM 131 N ARG A 10 15.078 6.050 -1.899 1.00 1.21 N ATOM 132 CA ARG A 10 14.636 7.438 -1.993 1.00 1.37 C ATOM 133 C ARG A 10 14.600 7.902 -3.449 1.00 1.63 C ATOM 134 O ARG A 10 15.597 7.868 -4.170 1.00 1.81 O ATOM 135 CB ARG A 10 15.542 8.323 -1.137 1.00 1.41 C ATOM 136 CG ARG A 10 15.126 9.798 -1.164 1.00 1.72 C ATOM 137 CD ARG A 10 14.085 10.186 -0.101 1.00 2.62 C ATOM 138 NE ARG A 10 13.842 11.636 -0.162 1.00 2.98 N ATOM 139 CZ ARG A 10 13.064 12.271 -1.030 1.00 3.34 C ATOM 140 NH1 ARG A 10 12.274 11.644 -1.877 1.00 3.89 N ATOM 141 NH2 ARG A 10 13.110 13.581 -1.070 1.00 3.84 N ATOM 0 H ARG A 10 15.988 5.944 -1.450 1.00 1.21 H new ATOM 0 HA ARG A 10 13.619 7.518 -1.610 1.00 1.37 H new ATOM 0 HB2 ARG A 10 15.526 7.964 -0.108 1.00 1.41 H new ATOM 0 HB3 ARG A 10 16.569 8.233 -1.490 1.00 1.41 H new ATOM 0 HG2 ARG A 10 16.014 10.415 -1.027 1.00 1.72 H new ATOM 0 HG3 ARG A 10 14.724 10.031 -2.150 1.00 1.72 H new ATOM 0 HD2 ARG A 10 13.155 9.643 -0.271 1.00 2.62 H new ATOM 0 HD3 ARG A 10 14.440 9.907 0.891 1.00 2.62 H new ATOM 0 HE ARG A 10 14.319 12.211 0.532 1.00 2.98 H new ATOM 0 HH11 ARG A 10 12.241 10.625 -1.885 1.00 3.89 H new ATOM 0 HH12 ARG A 10 11.695 12.178 -2.525 1.00 3.89 H new ATOM 0 HH21 ARG A 10 13.734 14.089 -0.443 1.00 3.84 H new ATOM 0 HH22 ARG A 10 12.522 14.092 -1.728 1.00 3.84 H new ATOM 155 N LEU A 11 13.438 8.401 -3.865 1.00 1.55 N ATOM 156 CA LEU A 11 13.193 8.832 -5.244 1.00 1.70 C ATOM 157 C LEU A 11 13.396 10.345 -5.390 1.00 2.27 C ATOM 158 O LEU A 11 12.609 11.137 -4.871 1.00 2.81 O ATOM 159 CB LEU A 11 11.792 8.375 -5.685 1.00 1.58 C ATOM 160 CG LEU A 11 11.557 6.852 -5.568 1.00 1.47 C ATOM 161 CD1 LEU A 11 10.132 6.549 -6.024 1.00 1.56 C ATOM 162 CD2 LEU A 11 12.549 6.019 -6.395 1.00 1.47 C ATOM 0 H LEU A 11 12.632 8.519 -3.251 1.00 1.55 H new ATOM 0 HA LEU A 11 13.919 8.362 -5.908 1.00 1.70 H new ATOM 0 HB2 LEU A 11 11.046 8.894 -5.082 1.00 1.58 H new ATOM 0 HB3 LEU A 11 11.632 8.678 -6.720 1.00 1.58 H new ATOM 0 HG LEU A 11 11.712 6.572 -4.526 1.00 1.47 H new ATOM 0 HD11 LEU A 11 9.946 5.478 -5.949 1.00 1.56 H new ATOM 0 HD12 LEU A 11 9.425 7.085 -5.390 1.00 1.56 H new ATOM 0 HD13 LEU A 11 10.006 6.868 -7.059 1.00 1.56 H new ATOM 0 HD21 LEU A 11 12.328 4.959 -6.268 1.00 1.47 H new ATOM 0 HD22 LEU A 11 12.458 6.285 -7.448 1.00 1.47 H new ATOM 0 HD23 LEU A 11 13.565 6.221 -6.056 1.00 1.47 H new ATOM 174 N LEU A 12 14.463 10.741 -6.097 1.00 2.18 N ATOM 175 CA LEU A 12 14.814 12.144 -6.364 1.00 2.51 C ATOM 176 C LEU A 12 14.019 12.762 -7.524 1.00 2.47 C ATOM 177 O LEU A 12 13.759 13.961 -7.507 1.00 2.76 O ATOM 178 CB LEU A 12 16.332 12.267 -6.601 1.00 3.05 C ATOM 179 CG LEU A 12 17.038 13.027 -5.462 1.00 3.96 C ATOM 180 CD1 LEU A 12 18.551 12.905 -5.660 1.00 4.04 C ATOM 181 CD2 LEU A 12 16.656 14.516 -5.404 1.00 5.19 C ATOM 0 H LEU A 12 15.122 10.080 -6.509 1.00 2.18 H new ATOM 0 HA LEU A 12 14.536 12.718 -5.480 1.00 2.51 H new ATOM 0 HB2 LEU A 12 16.765 11.271 -6.695 1.00 3.05 H new ATOM 0 HB3 LEU A 12 16.510 12.782 -7.545 1.00 3.05 H new ATOM 0 HG LEU A 12 16.719 12.580 -4.521 1.00 3.96 H new ATOM 0 HD11 LEU A 12 19.067 13.438 -4.861 1.00 4.04 H new ATOM 0 HD12 LEU A 12 18.837 11.853 -5.638 1.00 4.04 H new ATOM 0 HD13 LEU A 12 18.828 13.336 -6.622 1.00 4.04 H new ATOM 0 HD21 LEU A 12 17.186 14.996 -4.581 1.00 5.19 H new ATOM 0 HD22 LEU A 12 16.930 14.999 -6.342 1.00 5.19 H new ATOM 0 HD23 LEU A 12 15.581 14.610 -5.247 1.00 5.19 H new ATOM 193 N ASN A 13 13.591 11.949 -8.495 1.00 2.08 N ATOM 194 CA ASN A 13 12.573 12.307 -9.484 1.00 1.99 C ATOM 195 C ASN A 13 11.268 11.546 -9.160 1.00 1.90 C ATOM 196 O ASN A 13 11.077 10.432 -9.665 1.00 1.90 O ATOM 197 CB ASN A 13 13.096 12.006 -10.902 1.00 2.16 C ATOM 198 CG ASN A 13 12.093 12.402 -11.987 1.00 2.60 C ATOM 199 OD1 ASN A 13 11.075 13.031 -11.737 1.00 3.62 O ATOM 200 ND2 ASN A 13 12.350 12.042 -13.230 1.00 2.77 N ATOM 0 H ASN A 13 13.952 11.003 -8.617 1.00 2.08 H new ATOM 0 HA ASN A 13 12.355 13.374 -9.444 1.00 1.99 H new ATOM 0 HB2 ASN A 13 14.032 12.541 -11.063 1.00 2.16 H new ATOM 0 HB3 ASN A 13 13.318 10.942 -10.987 1.00 2.16 H new ATOM 0 HD21 ASN A 13 11.701 12.289 -13.977 1.00 2.77 H new ATOM 0 HD22 ASN A 13 13.198 11.517 -13.444 1.00 2.77 H new ATOM 207 N PRO A 14 10.415 12.083 -8.266 1.00 1.81 N ATOM 208 CA PRO A 14 9.198 11.408 -7.846 1.00 1.68 C ATOM 209 C PRO A 14 8.162 11.442 -8.963 1.00 1.72 C ATOM 210 O PRO A 14 7.521 12.451 -9.248 1.00 2.12 O ATOM 211 CB PRO A 14 8.757 12.117 -6.568 1.00 1.91 C ATOM 212 CG PRO A 14 9.320 13.528 -6.729 1.00 2.16 C ATOM 213 CD PRO A 14 10.623 13.287 -7.476 1.00 2.06 C ATOM 0 HA PRO A 14 9.345 10.348 -7.640 1.00 1.68 H new ATOM 0 HB2 PRO A 14 7.672 12.127 -6.469 1.00 1.91 H new ATOM 0 HB3 PRO A 14 9.154 11.626 -5.679 1.00 1.91 H new ATOM 0 HG2 PRO A 14 8.644 14.172 -7.292 1.00 2.16 H new ATOM 0 HG3 PRO A 14 9.489 14.009 -5.765 1.00 2.16 H new ATOM 0 HD2 PRO A 14 10.869 14.135 -8.115 1.00 2.06 H new ATOM 0 HD3 PRO A 14 11.453 13.159 -6.781 1.00 2.06 H new ATOM 221 N LYS A 15 8.006 10.291 -9.612 1.00 1.27 N ATOM 222 CA LYS A 15 7.110 10.143 -10.753 1.00 1.29 C ATOM 223 C LYS A 15 5.640 10.301 -10.306 1.00 1.52 C ATOM 224 O LYS A 15 5.249 9.667 -9.324 1.00 1.57 O ATOM 225 CB LYS A 15 7.359 8.771 -11.385 1.00 1.29 C ATOM 226 CG LYS A 15 6.648 8.586 -12.738 1.00 1.49 C ATOM 227 CD LYS A 15 6.550 7.127 -13.198 1.00 1.72 C ATOM 228 CE LYS A 15 5.522 6.358 -12.352 1.00 1.97 C ATOM 229 NZ LYS A 15 5.193 5.038 -12.939 1.00 2.54 N ATOM 0 H LYS A 15 8.499 9.434 -9.360 1.00 1.27 H new ATOM 0 HA LYS A 15 7.306 10.920 -11.492 1.00 1.29 H new ATOM 0 HB2 LYS A 15 8.431 8.632 -11.524 1.00 1.29 H new ATOM 0 HB3 LYS A 15 7.023 7.995 -10.697 1.00 1.29 H new ATOM 0 HG2 LYS A 15 5.643 9.002 -12.668 1.00 1.49 H new ATOM 0 HG3 LYS A 15 7.179 9.160 -13.497 1.00 1.49 H new ATOM 0 HD2 LYS A 15 6.264 7.090 -14.249 1.00 1.72 H new ATOM 0 HD3 LYS A 15 7.526 6.649 -13.117 1.00 1.72 H new ATOM 0 HE2 LYS A 15 5.914 6.219 -11.344 1.00 1.97 H new ATOM 0 HE3 LYS A 15 4.612 6.951 -12.261 1.00 1.97 H new ATOM 0 HZ1 LYS A 15 4.576 4.512 -12.287 1.00 2.54 H new ATOM 0 HZ2 LYS A 15 4.702 5.174 -13.846 1.00 2.54 H new ATOM 0 HZ3 LYS A 15 6.069 4.500 -13.097 1.00 2.54 H new ATOM 243 N PRO A 16 4.816 11.098 -11.011 1.00 1.31 N ATOM 244 CA PRO A 16 3.391 11.209 -10.721 1.00 1.38 C ATOM 245 C PRO A 16 2.725 9.852 -10.993 1.00 1.43 C ATOM 246 O PRO A 16 3.175 9.125 -11.879 1.00 1.29 O ATOM 247 CB PRO A 16 2.873 12.343 -11.606 1.00 1.49 C ATOM 248 CG PRO A 16 3.849 12.381 -12.782 1.00 1.55 C ATOM 249 CD PRO A 16 5.161 11.828 -12.219 1.00 1.44 C ATOM 0 HA PRO A 16 3.168 11.446 -9.681 1.00 1.38 H new ATOM 0 HB2 PRO A 16 1.854 12.152 -11.941 1.00 1.49 H new ATOM 0 HB3 PRO A 16 2.860 13.292 -11.070 1.00 1.49 H new ATOM 0 HG2 PRO A 16 3.489 11.776 -13.614 1.00 1.55 H new ATOM 0 HG3 PRO A 16 3.976 13.396 -13.158 1.00 1.55 H new ATOM 0 HD2 PRO A 16 5.648 11.174 -12.942 1.00 1.44 H new ATOM 0 HD3 PRO A 16 5.859 12.635 -11.998 1.00 1.44 H new ATOM 257 N VAL A 17 1.703 9.486 -10.215 1.00 1.11 N ATOM 258 CA VAL A 17 1.072 8.154 -10.239 1.00 1.10 C ATOM 259 C VAL A 17 -0.414 8.255 -9.882 1.00 1.30 C ATOM 260 O VAL A 17 -0.793 9.098 -9.072 1.00 1.40 O ATOM 261 CB VAL A 17 1.742 7.146 -9.267 1.00 1.14 C ATOM 262 CG1 VAL A 17 3.128 6.698 -9.763 1.00 1.32 C ATOM 263 CG2 VAL A 17 1.866 7.671 -7.821 1.00 1.23 C ATOM 0 H VAL A 17 1.279 10.117 -9.535 1.00 1.11 H new ATOM 0 HA VAL A 17 1.200 7.782 -11.256 1.00 1.10 H new ATOM 0 HB VAL A 17 1.068 6.289 -9.253 1.00 1.14 H new ATOM 0 HG11 VAL A 17 3.559 5.993 -9.052 1.00 1.32 H new ATOM 0 HG12 VAL A 17 3.028 6.216 -10.736 1.00 1.32 H new ATOM 0 HG13 VAL A 17 3.780 7.567 -9.854 1.00 1.32 H new ATOM 0 HG21 VAL A 17 2.343 6.914 -7.199 1.00 1.23 H new ATOM 0 HG22 VAL A 17 2.469 8.579 -7.814 1.00 1.23 H new ATOM 0 HG23 VAL A 17 0.874 7.891 -7.428 1.00 1.23 H new ATOM 273 N ASP A 18 -1.223 7.357 -10.454 1.00 1.09 N ATOM 274 CA ASP A 18 -2.649 7.218 -10.140 1.00 0.99 C ATOM 275 C ASP A 18 -3.144 5.798 -10.481 1.00 1.17 C ATOM 276 O ASP A 18 -2.351 4.957 -10.903 1.00 1.81 O ATOM 277 CB ASP A 18 -3.484 8.309 -10.839 1.00 1.06 C ATOM 278 CG ASP A 18 -4.605 8.837 -9.936 1.00 1.57 C ATOM 279 OD1 ASP A 18 -5.526 8.071 -9.557 1.00 2.18 O ATOM 280 OD2 ASP A 18 -4.546 10.029 -9.577 1.00 2.60 O ATOM 0 H ASP A 18 -0.900 6.695 -11.160 1.00 1.09 H new ATOM 0 HA ASP A 18 -2.781 7.361 -9.068 1.00 0.99 H new ATOM 0 HB2 ASP A 18 -2.833 9.134 -11.130 1.00 1.06 H new ATOM 0 HB3 ASP A 18 -3.915 7.905 -11.755 1.00 1.06 H new ATOM 285 N PHE A 19 -4.445 5.533 -10.331 1.00 0.74 N ATOM 286 CA PHE A 19 -5.108 4.297 -10.761 1.00 0.81 C ATOM 287 C PHE A 19 -6.635 4.398 -10.727 1.00 1.66 C ATOM 288 O PHE A 19 -7.195 5.354 -10.201 1.00 1.87 O ATOM 289 CB PHE A 19 -4.617 3.088 -9.938 1.00 0.88 C ATOM 290 CG PHE A 19 -4.738 3.162 -8.422 1.00 0.99 C ATOM 291 CD1 PHE A 19 -5.994 3.158 -7.778 1.00 2.12 C ATOM 292 CD2 PHE A 19 -3.569 3.153 -7.644 1.00 2.35 C ATOM 293 CE1 PHE A 19 -6.070 3.138 -6.373 1.00 2.04 C ATOM 294 CE2 PHE A 19 -3.642 3.119 -6.238 1.00 2.41 C ATOM 295 CZ PHE A 19 -4.895 3.109 -5.603 1.00 1.24 C ATOM 0 H PHE A 19 -5.087 6.194 -9.893 1.00 0.74 H new ATOM 0 HA PHE A 19 -4.829 4.144 -11.803 1.00 0.81 H new ATOM 0 HB2 PHE A 19 -5.166 2.209 -10.275 1.00 0.88 H new ATOM 0 HB3 PHE A 19 -3.568 2.921 -10.182 1.00 0.88 H new ATOM 0 HD1 PHE A 19 -6.900 3.170 -8.366 1.00 2.12 H new ATOM 0 HD2 PHE A 19 -2.604 3.172 -8.129 1.00 2.35 H new ATOM 0 HE1 PHE A 19 -7.034 3.145 -5.885 1.00 2.04 H new ATOM 0 HE2 PHE A 19 -2.737 3.101 -5.649 1.00 2.41 H new ATOM 0 HZ PHE A 19 -4.955 3.079 -4.525 1.00 1.24 H new ATOM 305 N ALA A 20 -7.315 3.352 -11.207 1.00 0.97 N ATOM 306 CA ALA A 20 -8.682 3.038 -10.802 1.00 1.00 C ATOM 307 C ALA A 20 -8.709 1.652 -10.139 1.00 1.13 C ATOM 308 O ALA A 20 -8.029 0.735 -10.588 1.00 1.40 O ATOM 309 CB ALA A 20 -9.602 3.120 -12.022 1.00 1.13 C ATOM 0 H ALA A 20 -6.929 2.700 -11.889 1.00 0.97 H new ATOM 0 HA ALA A 20 -9.044 3.759 -10.069 1.00 1.00 H new ATOM 0 HB1 ALA A 20 -10.624 2.886 -11.723 1.00 1.13 H new ATOM 0 HB2 ALA A 20 -9.567 4.127 -12.437 1.00 1.13 H new ATOM 0 HB3 ALA A 20 -9.272 2.405 -12.776 1.00 1.13 H new ATOM 315 N LEU A 21 -9.486 1.526 -9.068 1.00 0.96 N ATOM 316 CA LEU A 21 -9.779 0.322 -8.298 1.00 0.89 C ATOM 317 C LEU A 21 -11.261 0.349 -7.902 1.00 1.18 C ATOM 318 O LEU A 21 -11.926 1.378 -8.056 1.00 1.47 O ATOM 319 CB LEU A 21 -8.905 0.321 -7.025 1.00 0.64 C ATOM 320 CG LEU A 21 -7.941 -0.863 -6.856 1.00 0.82 C ATOM 321 CD1 LEU A 21 -8.664 -2.214 -6.783 1.00 1.15 C ATOM 322 CD2 LEU A 21 -6.860 -0.899 -7.939 1.00 1.24 C ATOM 0 H LEU A 21 -9.970 2.337 -8.682 1.00 0.96 H new ATOM 0 HA LEU A 21 -9.568 -0.571 -8.886 1.00 0.89 H new ATOM 0 HB2 LEU A 21 -8.321 1.241 -7.012 1.00 0.64 H new ATOM 0 HB3 LEU A 21 -9.565 0.350 -6.158 1.00 0.64 H new ATOM 0 HG LEU A 21 -7.452 -0.697 -5.896 1.00 0.82 H new ATOM 0 HD11 LEU A 21 -7.932 -3.013 -6.664 1.00 1.15 H new ATOM 0 HD12 LEU A 21 -9.346 -2.216 -5.932 1.00 1.15 H new ATOM 0 HD13 LEU A 21 -9.229 -2.374 -7.701 1.00 1.15 H new ATOM 0 HD21 LEU A 21 -6.206 -1.755 -7.772 1.00 1.24 H new ATOM 0 HD22 LEU A 21 -7.329 -0.986 -8.919 1.00 1.24 H new ATOM 0 HD23 LEU A 21 -6.274 0.019 -7.898 1.00 1.24 H new ATOM 334 N GLU A 22 -11.750 -0.724 -7.286 1.00 0.92 N ATOM 335 CA GLU A 22 -13.023 -0.695 -6.563 1.00 0.80 C ATOM 336 C GLU A 22 -12.798 -0.945 -5.072 1.00 1.06 C ATOM 337 O GLU A 22 -11.833 -1.593 -4.658 1.00 1.24 O ATOM 338 CB GLU A 22 -14.043 -1.680 -7.146 1.00 0.68 C ATOM 339 CG GLU A 22 -14.410 -1.371 -8.610 1.00 2.09 C ATOM 340 CD GLU A 22 -14.079 -2.534 -9.551 1.00 2.85 C ATOM 341 OE1 GLU A 22 -14.663 -3.617 -9.372 1.00 3.12 O ATOM 342 OE2 GLU A 22 -13.209 -2.407 -10.445 1.00 3.92 O ATOM 0 H GLU A 22 -11.282 -1.630 -7.272 1.00 0.92 H new ATOM 0 HA GLU A 22 -13.447 0.302 -6.685 1.00 0.80 H new ATOM 0 HB2 GLU A 22 -13.640 -2.691 -7.084 1.00 0.68 H new ATOM 0 HB3 GLU A 22 -14.948 -1.660 -6.538 1.00 0.68 H new ATOM 0 HG2 GLU A 22 -15.474 -1.145 -8.675 1.00 2.09 H new ATOM 0 HG3 GLU A 22 -13.875 -0.479 -8.936 1.00 2.09 H new ATOM 349 N GLY A 23 -13.715 -0.390 -4.277 1.00 0.80 N ATOM 350 CA GLY A 23 -13.777 -0.510 -2.820 1.00 0.77 C ATOM 351 C GLY A 23 -15.198 -0.832 -2.335 1.00 0.84 C ATOM 352 O GLY A 23 -16.121 -0.889 -3.154 1.00 1.01 O ATOM 0 H GLY A 23 -14.471 0.183 -4.651 1.00 0.80 H new ATOM 0 HA2 GLY A 23 -13.094 -1.293 -2.490 1.00 0.77 H new ATOM 0 HA3 GLY A 23 -13.439 0.421 -2.364 1.00 0.77 H new ATOM 356 N PRO A 24 -15.411 -1.010 -1.015 1.00 0.73 N ATOM 357 CA PRO A 24 -16.665 -1.483 -0.403 1.00 0.87 C ATOM 358 C PRO A 24 -17.762 -0.397 -0.347 1.00 1.14 C ATOM 359 O PRO A 24 -18.452 -0.225 0.658 1.00 1.13 O ATOM 360 CB PRO A 24 -16.235 -1.968 0.986 1.00 0.91 C ATOM 361 CG PRO A 24 -15.162 -0.944 1.339 1.00 0.89 C ATOM 362 CD PRO A 24 -14.403 -0.834 0.024 1.00 0.75 C ATOM 0 HA PRO A 24 -17.135 -2.272 -0.990 1.00 0.87 H new ATOM 0 HB2 PRO A 24 -17.060 -1.961 1.698 1.00 0.91 H new ATOM 0 HB3 PRO A 24 -15.842 -2.984 0.963 1.00 0.91 H new ATOM 0 HG2 PRO A 24 -15.591 0.010 1.646 1.00 0.89 H new ATOM 0 HG3 PRO A 24 -14.523 -1.284 2.154 1.00 0.89 H new ATOM 0 HD2 PRO A 24 -13.909 0.134 -0.066 1.00 0.75 H new ATOM 0 HD3 PRO A 24 -13.627 -1.596 -0.047 1.00 0.75 H new ATOM 370 N GLN A 25 -17.901 0.380 -1.420 1.00 1.33 N ATOM 371 CA GLN A 25 -18.843 1.500 -1.536 1.00 1.53 C ATOM 372 C GLN A 25 -18.986 2.014 -2.980 1.00 1.82 C ATOM 373 O GLN A 25 -20.008 2.613 -3.298 1.00 2.42 O ATOM 374 CB GLN A 25 -18.389 2.644 -0.599 1.00 1.70 C ATOM 375 CG GLN A 25 -19.527 3.581 -0.155 1.00 2.56 C ATOM 376 CD GLN A 25 -20.542 2.999 0.837 1.00 3.55 C ATOM 377 OE1 GLN A 25 -21.463 3.678 1.252 1.00 4.61 O ATOM 378 NE2 GLN A 25 -20.447 1.765 1.292 1.00 4.18 N ATOM 0 H GLN A 25 -17.343 0.245 -2.263 1.00 1.33 H new ATOM 0 HA GLN A 25 -19.827 1.137 -1.240 1.00 1.53 H new ATOM 0 HB2 GLN A 25 -17.923 2.211 0.286 1.00 1.70 H new ATOM 0 HB3 GLN A 25 -17.625 3.233 -1.106 1.00 1.70 H new ATOM 0 HG2 GLN A 25 -19.083 4.470 0.293 1.00 2.56 H new ATOM 0 HG3 GLN A 25 -20.067 3.908 -1.044 1.00 2.56 H new ATOM 0 HE21 GLN A 25 -19.691 1.160 0.972 1.00 4.18 H new ATOM 0 HE22 GLN A 25 -21.130 1.415 1.964 1.00 4.18 H new ATOM 387 N GLY A 26 -17.995 1.793 -3.855 1.00 1.38 N ATOM 388 CA GLY A 26 -17.945 2.349 -5.204 1.00 1.45 C ATOM 389 C GLY A 26 -16.530 2.288 -5.802 1.00 1.55 C ATOM 390 O GLY A 26 -15.622 1.748 -5.164 1.00 1.73 O ATOM 0 H GLY A 26 -17.189 1.208 -3.634 1.00 1.38 H new ATOM 0 HA2 GLY A 26 -18.634 1.801 -5.847 1.00 1.45 H new ATOM 0 HA3 GLY A 26 -18.284 3.385 -5.182 1.00 1.45 H new ATOM 394 N PRO A 27 -16.332 2.808 -7.025 1.00 1.44 N ATOM 395 CA PRO A 27 -15.022 2.913 -7.660 1.00 1.49 C ATOM 396 C PRO A 27 -14.163 3.984 -6.975 1.00 1.49 C ATOM 397 O PRO A 27 -14.674 4.989 -6.481 1.00 1.33 O ATOM 398 CB PRO A 27 -15.310 3.241 -9.128 1.00 1.52 C ATOM 399 CG PRO A 27 -16.634 4.004 -9.061 1.00 1.41 C ATOM 400 CD PRO A 27 -17.367 3.348 -7.890 1.00 1.37 C ATOM 0 HA PRO A 27 -14.446 1.992 -7.576 1.00 1.49 H new ATOM 0 HB2 PRO A 27 -14.518 3.847 -9.568 1.00 1.52 H new ATOM 0 HB3 PRO A 27 -15.395 2.339 -9.733 1.00 1.52 H new ATOM 0 HG2 PRO A 27 -16.475 5.069 -8.889 1.00 1.41 H new ATOM 0 HG3 PRO A 27 -17.198 3.912 -9.989 1.00 1.41 H new ATOM 0 HD2 PRO A 27 -17.981 4.074 -7.358 1.00 1.37 H new ATOM 0 HD3 PRO A 27 -18.035 2.560 -8.239 1.00 1.37 H new ATOM 408 N VAL A 28 -12.845 3.770 -6.961 1.00 1.28 N ATOM 409 CA VAL A 28 -11.862 4.601 -6.246 1.00 1.21 C ATOM 410 C VAL A 28 -10.665 4.878 -7.157 1.00 1.32 C ATOM 411 O VAL A 28 -10.176 3.968 -7.820 1.00 1.28 O ATOM 412 CB VAL A 28 -11.389 3.901 -4.945 1.00 1.43 C ATOM 413 CG1 VAL A 28 -10.321 4.730 -4.209 1.00 1.50 C ATOM 414 CG2 VAL A 28 -12.563 3.662 -3.977 1.00 1.96 C ATOM 0 H VAL A 28 -12.415 2.991 -7.461 1.00 1.28 H new ATOM 0 HA VAL A 28 -12.336 5.543 -5.972 1.00 1.21 H new ATOM 0 HB VAL A 28 -10.962 2.946 -5.251 1.00 1.43 H new ATOM 0 HG11 VAL A 28 -10.015 4.207 -3.303 1.00 1.50 H new ATOM 0 HG12 VAL A 28 -9.456 4.868 -4.858 1.00 1.50 H new ATOM 0 HG13 VAL A 28 -10.735 5.703 -3.944 1.00 1.50 H new ATOM 0 HG21 VAL A 28 -12.197 3.170 -3.076 1.00 1.96 H new ATOM 0 HG22 VAL A 28 -13.015 4.617 -3.711 1.00 1.96 H new ATOM 0 HG23 VAL A 28 -13.309 3.029 -4.459 1.00 1.96 H new ATOM 424 N ARG A 29 -10.181 6.124 -7.171 1.00 1.01 N ATOM 425 CA ARG A 29 -8.909 6.509 -7.791 1.00 0.87 C ATOM 426 C ARG A 29 -7.934 7.048 -6.746 1.00 1.21 C ATOM 427 O ARG A 29 -8.368 7.660 -5.767 1.00 1.42 O ATOM 428 CB ARG A 29 -9.102 7.581 -8.876 1.00 0.92 C ATOM 429 CG ARG A 29 -10.012 7.144 -10.037 1.00 1.03 C ATOM 430 CD ARG A 29 -11.456 7.622 -9.856 1.00 1.75 C ATOM 431 NE ARG A 29 -11.565 9.086 -10.032 1.00 2.39 N ATOM 432 CZ ARG A 29 -12.513 9.866 -9.523 1.00 4.03 C ATOM 433 NH1 ARG A 29 -13.343 9.433 -8.596 1.00 5.16 N ATOM 434 NH2 ARG A 29 -12.632 11.111 -9.938 1.00 5.21 N ATOM 0 H ARG A 29 -10.672 6.909 -6.743 1.00 1.01 H new ATOM 0 HA ARG A 29 -8.503 5.608 -8.250 1.00 0.87 H new ATOM 0 HB2 ARG A 29 -9.522 8.476 -8.417 1.00 0.92 H new ATOM 0 HB3 ARG A 29 -8.127 7.856 -9.277 1.00 0.92 H new ATOM 0 HG2 ARG A 29 -9.616 7.537 -10.974 1.00 1.03 H new ATOM 0 HG3 ARG A 29 -9.999 6.057 -10.117 1.00 1.03 H new ATOM 0 HD2 ARG A 29 -12.101 7.118 -10.576 1.00 1.75 H new ATOM 0 HD3 ARG A 29 -11.811 7.346 -8.863 1.00 1.75 H new ATOM 0 HE ARG A 29 -10.846 9.539 -10.596 1.00 2.39 H new ATOM 0 HH11 ARG A 29 -13.268 8.476 -8.251 1.00 5.16 H new ATOM 0 HH12 ARG A 29 -14.061 10.055 -8.224 1.00 5.16 H new ATOM 0 HH21 ARG A 29 -11.997 11.475 -10.649 1.00 5.21 H new ATOM 0 HH22 ARG A 29 -13.359 11.711 -9.549 1.00 5.21 H new ATOM 448 N LEU A 30 -6.631 6.888 -6.978 1.00 0.71 N ATOM 449 CA LEU A 30 -5.583 7.441 -6.112 1.00 0.77 C ATOM 450 C LEU A 30 -5.575 8.980 -6.124 1.00 1.04 C ATOM 451 O LEU A 30 -5.202 9.589 -5.125 1.00 1.18 O ATOM 452 CB LEU A 30 -4.248 6.801 -6.530 1.00 0.94 C ATOM 453 CG LEU A 30 -2.995 7.275 -5.767 1.00 0.95 C ATOM 454 CD1 LEU A 30 -3.110 7.026 -4.255 1.00 2.27 C ATOM 455 CD2 LEU A 30 -1.749 6.535 -6.279 1.00 1.96 C ATOM 0 H LEU A 30 -6.268 6.368 -7.777 1.00 0.71 H new ATOM 0 HA LEU A 30 -5.774 7.192 -5.068 1.00 0.77 H new ATOM 0 HB2 LEU A 30 -4.334 5.721 -6.410 1.00 0.94 H new ATOM 0 HB3 LEU A 30 -4.095 6.992 -7.592 1.00 0.94 H new ATOM 0 HG LEU A 30 -2.908 8.347 -5.943 1.00 0.95 H new ATOM 0 HD11 LEU A 30 -2.205 7.376 -3.759 1.00 2.27 H new ATOM 0 HD12 LEU A 30 -3.971 7.566 -3.862 1.00 2.27 H new ATOM 0 HD13 LEU A 30 -3.236 5.959 -4.070 1.00 2.27 H new ATOM 0 HD21 LEU A 30 -0.871 6.879 -5.732 1.00 1.96 H new ATOM 0 HD22 LEU A 30 -1.874 5.463 -6.127 1.00 1.96 H new ATOM 0 HD23 LEU A 30 -1.617 6.738 -7.342 1.00 1.96 H new ATOM 467 N SER A 31 -6.102 9.615 -7.176 1.00 0.81 N ATOM 468 CA SER A 31 -6.372 11.065 -7.208 1.00 0.95 C ATOM 469 C SER A 31 -7.151 11.537 -5.968 1.00 1.36 C ATOM 470 O SER A 31 -6.890 12.616 -5.442 1.00 1.99 O ATOM 471 CB SER A 31 -7.165 11.438 -8.473 1.00 1.09 C ATOM 472 OG SER A 31 -7.551 12.804 -8.468 1.00 2.30 O ATOM 0 H SER A 31 -6.357 9.137 -8.040 1.00 0.81 H new ATOM 0 HA SER A 31 -5.404 11.566 -7.214 1.00 0.95 H new ATOM 0 HB2 SER A 31 -6.559 11.235 -9.356 1.00 1.09 H new ATOM 0 HB3 SER A 31 -8.053 10.809 -8.544 1.00 1.09 H new ATOM 0 HG SER A 31 -6.858 13.338 -8.027 1.00 2.30 H new ATOM 478 N GLN A 32 -8.057 10.704 -5.439 1.00 0.97 N ATOM 479 CA GLN A 32 -8.873 11.021 -4.264 1.00 1.16 C ATOM 480 C GLN A 32 -8.045 11.157 -2.974 1.00 1.58 C ATOM 481 O GLN A 32 -8.612 11.533 -1.952 1.00 1.88 O ATOM 482 CB GLN A 32 -9.985 9.964 -4.113 1.00 1.22 C ATOM 483 CG GLN A 32 -10.940 9.941 -5.325 1.00 1.50 C ATOM 484 CD GLN A 32 -11.851 8.714 -5.401 1.00 2.60 C ATOM 485 OE1 GLN A 32 -12.080 8.169 -6.471 1.00 3.53 O ATOM 486 NE2 GLN A 32 -12.429 8.233 -4.322 1.00 3.22 N ATOM 0 H GLN A 32 -8.245 9.778 -5.823 1.00 0.97 H new ATOM 0 HA GLN A 32 -9.323 12.001 -4.426 1.00 1.16 H new ATOM 0 HB2 GLN A 32 -9.533 8.980 -3.991 1.00 1.22 H new ATOM 0 HB3 GLN A 32 -10.556 10.168 -3.207 1.00 1.22 H new ATOM 0 HG2 GLN A 32 -11.561 10.836 -5.297 1.00 1.50 H new ATOM 0 HG3 GLN A 32 -10.347 9.993 -6.238 1.00 1.50 H new ATOM 0 HE21 GLN A 32 -12.257 8.667 -3.415 1.00 3.22 H new ATOM 0 HE22 GLN A 32 -13.049 7.426 -4.392 1.00 3.22 H new ATOM 495 N PHE A 33 -6.732 10.889 -3.025 1.00 1.22 N ATOM 496 CA PHE A 33 -5.773 11.019 -1.927 1.00 1.33 C ATOM 497 C PHE A 33 -4.434 11.652 -2.371 1.00 2.05 C ATOM 498 O PHE A 33 -3.442 11.560 -1.650 1.00 2.48 O ATOM 499 CB PHE A 33 -5.556 9.634 -1.295 1.00 1.50 C ATOM 500 CG PHE A 33 -6.829 8.866 -0.987 1.00 1.33 C ATOM 501 CD1 PHE A 33 -7.520 9.093 0.219 1.00 2.24 C ATOM 502 CD2 PHE A 33 -7.339 7.948 -1.925 1.00 2.14 C ATOM 503 CE1 PHE A 33 -8.711 8.397 0.487 1.00 2.35 C ATOM 504 CE2 PHE A 33 -8.528 7.248 -1.653 1.00 2.09 C ATOM 505 CZ PHE A 33 -9.211 7.468 -0.446 1.00 1.55 C ATOM 0 H PHE A 33 -6.290 10.558 -3.883 1.00 1.22 H new ATOM 0 HA PHE A 33 -6.188 11.704 -1.188 1.00 1.33 H new ATOM 0 HB2 PHE A 33 -4.942 9.036 -1.968 1.00 1.50 H new ATOM 0 HB3 PHE A 33 -4.990 9.757 -0.371 1.00 1.50 H new ATOM 0 HD1 PHE A 33 -7.135 9.802 0.937 1.00 2.24 H new ATOM 0 HD2 PHE A 33 -6.816 7.781 -2.855 1.00 2.14 H new ATOM 0 HE1 PHE A 33 -9.244 8.575 1.410 1.00 2.35 H new ATOM 0 HE2 PHE A 33 -8.916 6.542 -2.372 1.00 2.09 H new ATOM 0 HZ PHE A 33 -10.120 6.925 -0.233 1.00 1.55 H new ATOM 515 N GLN A 34 -4.386 12.293 -3.551 1.00 1.22 N ATOM 516 CA GLN A 34 -3.169 12.892 -4.130 1.00 1.23 C ATOM 517 C GLN A 34 -2.556 13.979 -3.231 1.00 1.45 C ATOM 518 O GLN A 34 -1.339 14.108 -3.140 1.00 2.05 O ATOM 519 CB GLN A 34 -3.472 13.427 -5.552 1.00 1.24 C ATOM 520 CG GLN A 34 -4.404 14.659 -5.614 1.00 1.40 C ATOM 521 CD GLN A 34 -4.871 15.020 -7.034 1.00 1.72 C ATOM 522 OE1 GLN A 34 -5.400 14.218 -7.791 1.00 2.21 O ATOM 523 NE2 GLN A 34 -4.702 16.253 -7.469 1.00 2.39 N ATOM 0 H GLN A 34 -5.209 12.412 -4.142 1.00 1.22 H new ATOM 0 HA GLN A 34 -2.414 12.109 -4.202 1.00 1.23 H new ATOM 0 HB2 GLN A 34 -2.528 13.682 -6.034 1.00 1.24 H new ATOM 0 HB3 GLN A 34 -3.921 12.623 -6.136 1.00 1.24 H new ATOM 0 HG2 GLN A 34 -5.279 14.471 -4.992 1.00 1.40 H new ATOM 0 HG3 GLN A 34 -3.885 15.516 -5.184 1.00 1.40 H new ATOM 0 HE21 GLN A 34 -4.265 16.951 -6.867 1.00 2.39 H new ATOM 0 HE22 GLN A 34 -5.009 16.509 -8.407 1.00 2.39 H new ATOM 532 N ASP A 35 -3.420 14.717 -2.533 1.00 1.23 N ATOM 533 CA ASP A 35 -3.140 15.847 -1.640 1.00 1.31 C ATOM 534 C ASP A 35 -2.519 15.433 -0.283 1.00 1.37 C ATOM 535 O ASP A 35 -2.236 16.263 0.580 1.00 1.76 O ATOM 536 CB ASP A 35 -4.500 16.538 -1.459 1.00 1.65 C ATOM 537 CG ASP A 35 -4.422 17.862 -0.704 1.00 1.92 C ATOM 538 OD1 ASP A 35 -3.966 18.852 -1.312 1.00 2.78 O ATOM 539 OD2 ASP A 35 -4.862 17.859 0.471 1.00 2.95 O ATOM 0 H ASP A 35 -4.421 14.524 -2.581 1.00 1.23 H new ATOM 0 HA ASP A 35 -2.385 16.504 -2.071 1.00 1.31 H new ATOM 0 HB2 ASP A 35 -4.941 16.715 -2.440 1.00 1.65 H new ATOM 0 HB3 ASP A 35 -5.171 15.865 -0.925 1.00 1.65 H new ATOM 544 N LYS A 36 -2.349 14.132 -0.050 1.00 0.96 N ATOM 545 CA LYS A 36 -1.825 13.559 1.195 1.00 0.95 C ATOM 546 C LYS A 36 -0.407 12.976 1.020 1.00 1.16 C ATOM 547 O LYS A 36 0.184 13.003 -0.059 1.00 1.31 O ATOM 548 CB LYS A 36 -2.844 12.501 1.687 1.00 1.23 C ATOM 549 CG LYS A 36 -4.241 13.022 2.069 1.00 1.61 C ATOM 550 CD LYS A 36 -4.320 13.852 3.361 1.00 1.49 C ATOM 551 CE LYS A 36 -3.963 15.340 3.210 1.00 2.05 C ATOM 552 NZ LYS A 36 -4.958 16.057 2.382 1.00 2.13 N ATOM 0 H LYS A 36 -2.579 13.422 -0.745 1.00 0.96 H new ATOM 0 HA LYS A 36 -1.713 14.341 1.946 1.00 0.95 H new ATOM 0 HB2 LYS A 36 -2.961 11.750 0.905 1.00 1.23 H new ATOM 0 HB3 LYS A 36 -2.419 11.995 2.554 1.00 1.23 H new ATOM 0 HG2 LYS A 36 -4.618 13.630 1.246 1.00 1.61 H new ATOM 0 HG3 LYS A 36 -4.911 12.168 2.168 1.00 1.61 H new ATOM 0 HD2 LYS A 36 -5.332 13.777 3.760 1.00 1.49 H new ATOM 0 HD3 LYS A 36 -3.652 13.408 4.099 1.00 1.49 H new ATOM 0 HE2 LYS A 36 -3.907 15.803 4.195 1.00 2.05 H new ATOM 0 HE3 LYS A 36 -2.976 15.434 2.757 1.00 2.05 H new ATOM 0 HZ1 LYS A 36 -4.468 16.602 1.644 1.00 2.13 H new ATOM 0 HZ2 LYS A 36 -5.599 15.370 1.936 1.00 2.13 H new ATOM 0 HZ3 LYS A 36 -5.508 16.704 2.983 1.00 2.13 H new ATOM 566 N VAL A 37 0.104 12.378 2.091 1.00 0.90 N ATOM 567 CA VAL A 37 1.071 11.279 2.096 1.00 0.85 C ATOM 568 C VAL A 37 0.234 10.004 2.281 1.00 1.24 C ATOM 569 O VAL A 37 -0.630 9.968 3.156 1.00 1.57 O ATOM 570 CB VAL A 37 2.086 11.373 3.270 1.00 0.89 C ATOM 571 CG1 VAL A 37 3.385 10.657 2.870 1.00 1.01 C ATOM 572 CG2 VAL A 37 2.402 12.803 3.750 1.00 1.21 C ATOM 0 H VAL A 37 -0.159 12.662 3.035 1.00 0.90 H new ATOM 0 HA VAL A 37 1.654 11.299 1.175 1.00 0.85 H new ATOM 0 HB VAL A 37 1.606 10.888 4.120 1.00 0.89 H new ATOM 0 HG11 VAL A 37 4.102 10.719 3.689 1.00 1.01 H new ATOM 0 HG12 VAL A 37 3.172 9.610 2.653 1.00 1.01 H new ATOM 0 HG13 VAL A 37 3.805 11.133 1.984 1.00 1.01 H new ATOM 0 HG21 VAL A 37 3.119 12.761 4.570 1.00 1.21 H new ATOM 0 HG22 VAL A 37 2.826 13.378 2.927 1.00 1.21 H new ATOM 0 HG23 VAL A 37 1.485 13.282 4.093 1.00 1.21 H new ATOM 582 N VAL A 38 0.445 8.972 1.464 1.00 0.94 N ATOM 583 CA VAL A 38 -0.255 7.688 1.616 1.00 1.16 C ATOM 584 C VAL A 38 0.685 6.494 1.498 1.00 1.38 C ATOM 585 O VAL A 38 1.630 6.506 0.700 1.00 1.28 O ATOM 586 CB VAL A 38 -1.460 7.520 0.662 1.00 1.43 C ATOM 587 CG1 VAL A 38 -2.551 8.568 0.931 1.00 2.78 C ATOM 588 CG2 VAL A 38 -1.088 7.549 -0.826 1.00 1.99 C ATOM 0 H VAL A 38 1.100 8.997 0.683 1.00 0.94 H new ATOM 0 HA VAL A 38 -0.653 7.712 2.630 1.00 1.16 H new ATOM 0 HB VAL A 38 -1.844 6.524 0.881 1.00 1.43 H new ATOM 0 HG11 VAL A 38 -3.380 8.416 0.240 1.00 2.78 H new ATOM 0 HG12 VAL A 38 -2.909 8.466 1.955 1.00 2.78 H new ATOM 0 HG13 VAL A 38 -2.139 9.567 0.789 1.00 2.78 H new ATOM 0 HG21 VAL A 38 -1.988 7.425 -1.428 1.00 1.99 H new ATOM 0 HG22 VAL A 38 -0.620 8.504 -1.065 1.00 1.99 H new ATOM 0 HG23 VAL A 38 -0.392 6.739 -1.043 1.00 1.99 H new ATOM 598 N LEU A 39 0.397 5.473 2.311 1.00 1.13 N ATOM 599 CA LEU A 39 1.067 4.175 2.318 1.00 1.17 C ATOM 600 C LEU A 39 0.227 3.167 1.521 1.00 1.29 C ATOM 601 O LEU A 39 -0.833 2.726 1.970 1.00 1.39 O ATOM 602 CB LEU A 39 1.265 3.729 3.780 1.00 1.24 C ATOM 603 CG LEU A 39 2.477 4.398 4.457 1.00 1.43 C ATOM 604 CD1 LEU A 39 2.349 4.289 5.984 1.00 2.35 C ATOM 605 CD2 LEU A 39 3.789 3.741 3.994 1.00 1.39 C ATOM 0 H LEU A 39 -0.342 5.534 3.011 1.00 1.13 H new ATOM 0 HA LEU A 39 2.046 4.239 1.844 1.00 1.17 H new ATOM 0 HB2 LEU A 39 0.365 3.960 4.349 1.00 1.24 H new ATOM 0 HB3 LEU A 39 1.391 2.647 3.810 1.00 1.24 H new ATOM 0 HG LEU A 39 2.496 5.450 4.171 1.00 1.43 H new ATOM 0 HD11 LEU A 39 3.209 4.764 6.456 1.00 2.35 H new ATOM 0 HD12 LEU A 39 1.436 4.787 6.309 1.00 2.35 H new ATOM 0 HD13 LEU A 39 2.311 3.238 6.272 1.00 2.35 H new ATOM 0 HD21 LEU A 39 4.632 4.228 4.484 1.00 1.39 H new ATOM 0 HD22 LEU A 39 3.779 2.683 4.256 1.00 1.39 H new ATOM 0 HD23 LEU A 39 3.887 3.846 2.913 1.00 1.39 H new ATOM 617 N LEU A 40 0.702 2.831 0.322 1.00 0.94 N ATOM 618 CA LEU A 40 0.068 1.891 -0.599 1.00 0.80 C ATOM 619 C LEU A 40 0.783 0.537 -0.523 1.00 1.04 C ATOM 620 O LEU A 40 2.013 0.475 -0.625 1.00 1.19 O ATOM 621 CB LEU A 40 0.120 2.493 -2.015 1.00 0.98 C ATOM 622 CG LEU A 40 -0.650 1.680 -3.075 1.00 1.08 C ATOM 623 CD1 LEU A 40 -2.167 1.869 -2.926 1.00 1.70 C ATOM 624 CD2 LEU A 40 -0.222 2.137 -4.471 1.00 2.29 C ATOM 0 H LEU A 40 1.570 3.220 -0.047 1.00 0.94 H new ATOM 0 HA LEU A 40 -0.975 1.722 -0.331 1.00 0.80 H new ATOM 0 HB2 LEU A 40 -0.286 3.504 -1.983 1.00 0.98 H new ATOM 0 HB3 LEU A 40 1.162 2.577 -2.324 1.00 0.98 H new ATOM 0 HG LEU A 40 -0.418 0.625 -2.933 1.00 1.08 H new ATOM 0 HD11 LEU A 40 -2.683 1.284 -3.687 1.00 1.70 H new ATOM 0 HD12 LEU A 40 -2.480 1.535 -1.937 1.00 1.70 H new ATOM 0 HD13 LEU A 40 -2.416 2.923 -3.048 1.00 1.70 H new ATOM 0 HD21 LEU A 40 -0.764 1.564 -5.223 1.00 2.29 H new ATOM 0 HD22 LEU A 40 -0.445 3.197 -4.591 1.00 2.29 H new ATOM 0 HD23 LEU A 40 0.849 1.975 -4.594 1.00 2.29 H new ATOM 636 N PHE A 41 0.026 -0.546 -0.346 1.00 0.58 N ATOM 637 CA PHE A 41 0.580 -1.894 -0.168 1.00 0.55 C ATOM 638 C PHE A 41 -0.266 -2.956 -0.884 1.00 1.34 C ATOM 639 O PHE A 41 -1.497 -2.955 -0.768 1.00 1.66 O ATOM 640 CB PHE A 41 0.700 -2.168 1.341 1.00 0.58 C ATOM 641 CG PHE A 41 1.333 -3.490 1.741 1.00 0.76 C ATOM 642 CD1 PHE A 41 2.518 -3.937 1.125 1.00 1.98 C ATOM 643 CD2 PHE A 41 0.768 -4.248 2.786 1.00 1.85 C ATOM 644 CE1 PHE A 41 3.129 -5.130 1.551 1.00 2.07 C ATOM 645 CE2 PHE A 41 1.389 -5.431 3.223 1.00 1.68 C ATOM 646 CZ PHE A 41 2.571 -5.874 2.604 1.00 1.04 C ATOM 0 H PHE A 41 -0.993 -0.516 -0.322 1.00 0.58 H new ATOM 0 HA PHE A 41 1.568 -1.950 -0.625 1.00 0.55 H new ATOM 0 HB2 PHE A 41 1.281 -1.362 1.789 1.00 0.58 H new ATOM 0 HB3 PHE A 41 -0.298 -2.122 1.777 1.00 0.58 H new ATOM 0 HD1 PHE A 41 2.959 -3.362 0.324 1.00 1.98 H new ATOM 0 HD2 PHE A 41 -0.148 -3.918 3.254 1.00 1.85 H new ATOM 0 HE1 PHE A 41 4.030 -5.475 1.067 1.00 2.07 H new ATOM 0 HE2 PHE A 41 0.958 -5.999 4.034 1.00 1.68 H new ATOM 0 HZ PHE A 41 3.049 -6.784 2.937 1.00 1.04 H new ATOM 656 N PHE A 42 0.409 -3.856 -1.609 1.00 0.60 N ATOM 657 CA PHE A 42 -0.197 -4.910 -2.428 1.00 0.61 C ATOM 658 C PHE A 42 -0.152 -6.273 -1.708 1.00 1.84 C ATOM 659 O PHE A 42 0.910 -6.880 -1.557 1.00 2.24 O ATOM 660 CB PHE A 42 0.502 -4.956 -3.791 1.00 0.68 C ATOM 661 CG PHE A 42 0.302 -3.724 -4.659 1.00 0.80 C ATOM 662 CD1 PHE A 42 1.088 -2.572 -4.462 1.00 2.28 C ATOM 663 CD2 PHE A 42 -0.673 -3.733 -5.679 1.00 1.60 C ATOM 664 CE1 PHE A 42 0.898 -1.437 -5.274 1.00 2.42 C ATOM 665 CE2 PHE A 42 -0.852 -2.603 -6.497 1.00 1.38 C ATOM 666 CZ PHE A 42 -0.073 -1.453 -6.289 1.00 1.20 C ATOM 0 H PHE A 42 1.428 -3.870 -1.642 1.00 0.60 H new ATOM 0 HA PHE A 42 -1.251 -4.682 -2.588 1.00 0.61 H new ATOM 0 HB2 PHE A 42 1.571 -5.098 -3.630 1.00 0.68 H new ATOM 0 HB3 PHE A 42 0.143 -5.828 -4.337 1.00 0.68 H new ATOM 0 HD1 PHE A 42 1.839 -2.559 -3.686 1.00 2.28 H new ATOM 0 HD2 PHE A 42 -1.284 -4.610 -5.832 1.00 1.60 H new ATOM 0 HE1 PHE A 42 1.499 -0.554 -5.116 1.00 2.42 H new ATOM 0 HE2 PHE A 42 -1.589 -2.620 -7.286 1.00 1.38 H new ATOM 0 HZ PHE A 42 -0.220 -0.581 -6.909 1.00 1.20 H new ATOM 676 N GLY A 43 -1.323 -6.731 -1.256 1.00 0.67 N ATOM 677 CA GLY A 43 -1.536 -7.839 -0.317 1.00 0.93 C ATOM 678 C GLY A 43 -2.726 -8.744 -0.655 1.00 0.99 C ATOM 679 O GLY A 43 -3.337 -8.655 -1.719 1.00 0.87 O ATOM 0 H GLY A 43 -2.204 -6.312 -1.554 1.00 0.67 H new ATOM 0 HA2 GLY A 43 -0.632 -8.447 -0.283 1.00 0.93 H new ATOM 0 HA3 GLY A 43 -1.682 -7.428 0.682 1.00 0.93 H new ATOM 683 N PHE A 44 -3.031 -9.666 0.255 1.00 1.28 N ATOM 684 CA PHE A 44 -4.215 -10.533 0.182 1.00 1.22 C ATOM 685 C PHE A 44 -4.550 -11.100 1.563 1.00 1.84 C ATOM 686 O PHE A 44 -3.640 -11.404 2.335 1.00 2.53 O ATOM 687 CB PHE A 44 -4.026 -11.642 -0.872 1.00 1.22 C ATOM 688 CG PHE A 44 -2.705 -12.398 -0.811 1.00 1.86 C ATOM 689 CD1 PHE A 44 -1.579 -11.925 -1.512 1.00 3.74 C ATOM 690 CD2 PHE A 44 -2.608 -13.589 -0.071 1.00 2.72 C ATOM 691 CE1 PHE A 44 -0.368 -12.641 -1.482 1.00 5.01 C ATOM 692 CE2 PHE A 44 -1.400 -14.310 -0.044 1.00 4.03 C ATOM 693 CZ PHE A 44 -0.281 -13.840 -0.753 1.00 4.96 C ATOM 0 H PHE A 44 -2.456 -9.838 1.079 1.00 1.28 H new ATOM 0 HA PHE A 44 -5.066 -9.933 -0.140 1.00 1.22 H new ATOM 0 HB2 PHE A 44 -4.839 -12.360 -0.766 1.00 1.22 H new ATOM 0 HB3 PHE A 44 -4.122 -11.196 -1.862 1.00 1.22 H new ATOM 0 HD1 PHE A 44 -1.645 -11.007 -2.076 1.00 3.74 H new ATOM 0 HD2 PHE A 44 -3.464 -13.952 0.479 1.00 2.72 H new ATOM 0 HE1 PHE A 44 0.493 -12.270 -2.018 1.00 5.01 H new ATOM 0 HE2 PHE A 44 -1.332 -15.227 0.523 1.00 4.03 H new ATOM 0 HZ PHE A 44 0.643 -14.398 -0.738 1.00 4.96 H new ATOM 703 N THR A 45 -5.842 -11.244 1.870 1.00 1.08 N ATOM 704 CA THR A 45 -6.374 -11.715 3.157 1.00 1.29 C ATOM 705 C THR A 45 -5.984 -13.155 3.457 1.00 1.70 C ATOM 706 O THR A 45 -5.767 -13.472 4.620 1.00 2.32 O ATOM 707 CB THR A 45 -7.899 -11.551 3.242 1.00 1.37 C ATOM 708 OG1 THR A 45 -8.550 -12.413 2.338 1.00 2.07 O ATOM 709 CG2 THR A 45 -8.371 -10.102 3.042 1.00 1.18 C ATOM 0 H THR A 45 -6.580 -11.027 1.201 1.00 1.08 H new ATOM 0 HA THR A 45 -5.917 -11.082 3.917 1.00 1.29 H new ATOM 0 HB THR A 45 -8.174 -11.827 4.260 1.00 1.37 H new ATOM 0 HG1 THR A 45 -7.982 -12.552 1.552 1.00 2.07 H new ATOM 0 HG21 THR A 45 -9.458 -10.060 3.115 1.00 1.18 H new ATOM 0 HG22 THR A 45 -7.931 -9.467 3.811 1.00 1.18 H new ATOM 0 HG23 THR A 45 -8.059 -9.750 2.059 1.00 1.18 H new ATOM 717 N ARG A 46 -5.788 -13.998 2.434 1.00 1.70 N ATOM 718 CA ARG A 46 -5.255 -15.364 2.564 1.00 2.05 C ATOM 719 C ARG A 46 -3.726 -15.374 2.819 1.00 1.93 C ATOM 720 O ARG A 46 -2.993 -16.164 2.224 1.00 2.76 O ATOM 721 CB ARG A 46 -5.679 -16.187 1.327 1.00 2.45 C ATOM 722 CG ARG A 46 -5.799 -17.692 1.632 1.00 3.04 C ATOM 723 CD ARG A 46 -6.164 -18.493 0.374 1.00 4.29 C ATOM 724 NE ARG A 46 -6.642 -19.849 0.714 1.00 5.03 N ATOM 725 CZ ARG A 46 -7.039 -20.780 -0.149 1.00 6.28 C ATOM 726 NH1 ARG A 46 -6.859 -20.673 -1.450 1.00 7.03 N ATOM 727 NH2 ARG A 46 -7.649 -21.857 0.289 1.00 7.06 N ATOM 0 H ARG A 46 -6.000 -13.744 1.469 1.00 1.70 H new ATOM 0 HA ARG A 46 -5.682 -15.838 3.448 1.00 2.05 H new ATOM 0 HB2 ARG A 46 -6.636 -15.817 0.959 1.00 2.45 H new ATOM 0 HB3 ARG A 46 -4.952 -16.038 0.529 1.00 2.45 H new ATOM 0 HG2 ARG A 46 -4.856 -18.059 2.037 1.00 3.04 H new ATOM 0 HG3 ARG A 46 -6.558 -17.850 2.398 1.00 3.04 H new ATOM 0 HD2 ARG A 46 -6.936 -17.963 -0.184 1.00 4.29 H new ATOM 0 HD3 ARG A 46 -5.293 -18.566 -0.277 1.00 4.29 H new ATOM 0 HE ARG A 46 -6.670 -20.094 1.704 1.00 5.03 H new ATOM 0 HH11 ARG A 46 -6.397 -19.849 -1.835 1.00 7.03 H new ATOM 0 HH12 ARG A 46 -7.181 -21.414 -2.072 1.00 7.03 H new ATOM 0 HH21 ARG A 46 -7.817 -21.977 1.288 1.00 7.06 H new ATOM 0 HH22 ARG A 46 -7.955 -22.573 -0.370 1.00 7.06 H new ATOM 741 N CYS A 47 -3.218 -14.446 3.632 1.00 1.56 N ATOM 742 CA CYS A 47 -1.797 -14.268 3.944 1.00 1.68 C ATOM 743 C CYS A 47 -1.259 -15.335 4.916 1.00 1.93 C ATOM 744 O CYS A 47 -2.043 -15.966 5.629 1.00 2.55 O ATOM 745 CB CYS A 47 -1.605 -12.864 4.543 1.00 2.29 C ATOM 746 SG CYS A 47 -2.591 -12.683 6.058 1.00 4.74 S ATOM 0 H CYS A 47 -3.810 -13.768 4.112 1.00 1.56 H new ATOM 0 HA CYS A 47 -1.230 -14.381 3.020 1.00 1.68 H new ATOM 0 HB2 CYS A 47 -0.551 -12.697 4.765 1.00 2.29 H new ATOM 0 HB3 CYS A 47 -1.901 -12.108 3.816 1.00 2.29 H new ATOM 0 HG CYS A 47 -1.957 -13.224 7.056 1.00 4.74 H new ATOM 752 N PRO A 48 0.077 -15.461 5.027 1.00 1.61 N ATOM 753 CA PRO A 48 0.728 -15.866 6.254 1.00 1.94 C ATOM 754 C PRO A 48 0.778 -14.639 7.187 1.00 1.99 C ATOM 755 O PRO A 48 -0.252 -14.238 7.724 1.00 2.57 O ATOM 756 CB PRO A 48 2.078 -16.434 5.797 1.00 2.39 C ATOM 757 CG PRO A 48 2.428 -15.593 4.571 1.00 2.20 C ATOM 758 CD PRO A 48 1.075 -15.130 4.015 1.00 1.80 C ATOM 0 HA PRO A 48 0.225 -16.633 6.842 1.00 1.94 H new ATOM 0 HB2 PRO A 48 2.835 -16.342 6.575 1.00 2.39 H new ATOM 0 HB3 PRO A 48 2.004 -17.493 5.548 1.00 2.39 H new ATOM 0 HG2 PRO A 48 3.057 -14.744 4.840 1.00 2.20 H new ATOM 0 HG3 PRO A 48 2.979 -16.177 3.834 1.00 2.20 H new ATOM 0 HD2 PRO A 48 1.084 -14.059 3.815 1.00 1.80 H new ATOM 0 HD3 PRO A 48 0.852 -15.629 3.072 1.00 1.80 H new ATOM 766 N ASP A 49 1.943 -14.020 7.380 1.00 1.41 N ATOM 767 CA ASP A 49 2.288 -13.237 8.572 1.00 1.44 C ATOM 768 C ASP A 49 2.769 -11.835 8.198 1.00 1.28 C ATOM 769 O ASP A 49 2.252 -10.828 8.671 1.00 1.42 O ATOM 770 CB ASP A 49 3.402 -13.998 9.322 1.00 1.75 C ATOM 771 CG ASP A 49 4.520 -14.632 8.462 1.00 2.33 C ATOM 772 OD1 ASP A 49 4.619 -14.323 7.247 1.00 3.41 O ATOM 773 OD2 ASP A 49 5.268 -15.450 9.031 1.00 3.33 O ATOM 0 H ASP A 49 2.696 -14.049 6.693 1.00 1.41 H new ATOM 0 HA ASP A 49 1.406 -13.116 9.201 1.00 1.44 H new ATOM 0 HB2 ASP A 49 3.867 -13.309 10.028 1.00 1.75 H new ATOM 0 HB3 ASP A 49 2.936 -14.789 9.909 1.00 1.75 H new ATOM 778 N VAL A 50 3.705 -11.798 7.259 1.00 1.28 N ATOM 779 CA VAL A 50 4.250 -10.653 6.550 1.00 1.21 C ATOM 780 C VAL A 50 3.206 -9.586 6.201 1.00 1.23 C ATOM 781 O VAL A 50 3.429 -8.405 6.430 1.00 1.53 O ATOM 782 CB VAL A 50 4.968 -11.204 5.302 1.00 1.45 C ATOM 783 CG1 VAL A 50 4.025 -11.858 4.270 1.00 1.83 C ATOM 784 CG2 VAL A 50 5.799 -10.115 4.647 1.00 1.68 C ATOM 0 H VAL A 50 4.146 -12.662 6.944 1.00 1.28 H new ATOM 0 HA VAL A 50 4.947 -10.122 7.198 1.00 1.21 H new ATOM 0 HB VAL A 50 5.618 -12.003 5.659 1.00 1.45 H new ATOM 0 HG11 VAL A 50 4.608 -12.220 3.423 1.00 1.83 H new ATOM 0 HG12 VAL A 50 3.502 -12.694 4.734 1.00 1.83 H new ATOM 0 HG13 VAL A 50 3.299 -11.123 3.923 1.00 1.83 H new ATOM 0 HG21 VAL A 50 6.300 -10.519 3.767 1.00 1.68 H new ATOM 0 HG22 VAL A 50 5.150 -9.292 4.349 1.00 1.68 H new ATOM 0 HG23 VAL A 50 6.545 -9.751 5.354 1.00 1.68 H new ATOM 794 N CYS A 51 2.031 -9.974 5.690 1.00 1.01 N ATOM 795 CA CYS A 51 1.014 -9.010 5.271 1.00 1.18 C ATOM 796 C CYS A 51 0.443 -8.234 6.482 1.00 1.32 C ATOM 797 O CYS A 51 0.595 -7.005 6.514 1.00 1.55 O ATOM 798 CB CYS A 51 -0.002 -9.732 4.364 1.00 1.55 C ATOM 799 SG CYS A 51 -1.007 -8.532 3.450 1.00 1.70 S ATOM 0 H CYS A 51 1.764 -10.950 5.558 1.00 1.01 H new ATOM 0 HA CYS A 51 1.437 -8.213 4.659 1.00 1.18 H new ATOM 0 HB2 CYS A 51 0.524 -10.382 3.664 1.00 1.55 H new ATOM 0 HB3 CYS A 51 -0.647 -10.370 4.968 1.00 1.55 H new ATOM 0 HG CYS A 51 -0.326 -7.438 3.277 1.00 1.70 H new ATOM 805 N PRO A 52 -0.177 -8.890 7.488 1.00 1.15 N ATOM 806 CA PRO A 52 -0.682 -8.201 8.666 1.00 1.46 C ATOM 807 C PRO A 52 0.432 -7.577 9.512 1.00 1.48 C ATOM 808 O PRO A 52 0.216 -6.488 10.038 1.00 1.48 O ATOM 809 CB PRO A 52 -1.501 -9.239 9.448 1.00 1.77 C ATOM 810 CG PRO A 52 -0.966 -10.584 8.978 1.00 1.51 C ATOM 811 CD PRO A 52 -0.589 -10.288 7.531 1.00 1.21 C ATOM 0 HA PRO A 52 -1.302 -7.352 8.378 1.00 1.46 H new ATOM 0 HB2 PRO A 52 -1.374 -9.116 10.523 1.00 1.77 H new ATOM 0 HB3 PRO A 52 -2.567 -9.142 9.240 1.00 1.77 H new ATOM 0 HG2 PRO A 52 -0.107 -10.909 9.565 1.00 1.51 H new ATOM 0 HG3 PRO A 52 -1.718 -11.370 9.051 1.00 1.51 H new ATOM 0 HD2 PRO A 52 0.218 -10.941 7.199 1.00 1.21 H new ATOM 0 HD3 PRO A 52 -1.435 -10.464 6.866 1.00 1.21 H new ATOM 819 N THR A 53 1.610 -8.206 9.644 1.00 1.05 N ATOM 820 CA THR A 53 2.684 -7.668 10.492 1.00 1.14 C ATOM 821 C THR A 53 3.345 -6.422 9.890 1.00 1.10 C ATOM 822 O THR A 53 3.595 -5.475 10.639 1.00 1.01 O ATOM 823 CB THR A 53 3.642 -8.784 10.916 1.00 1.56 C ATOM 824 OG1 THR A 53 4.159 -8.442 12.174 1.00 2.83 O ATOM 825 CG2 THR A 53 4.812 -9.039 9.981 1.00 1.61 C ATOM 0 H THR A 53 1.842 -9.083 9.177 1.00 1.05 H new ATOM 0 HA THR A 53 2.248 -7.291 11.417 1.00 1.14 H new ATOM 0 HB THR A 53 3.056 -9.703 10.911 1.00 1.56 H new ATOM 0 HG1 THR A 53 4.777 -9.141 12.475 1.00 2.83 H new ATOM 0 HG21 THR A 53 5.425 -9.848 10.378 1.00 1.61 H new ATOM 0 HG22 THR A 53 4.437 -9.317 8.996 1.00 1.61 H new ATOM 0 HG23 THR A 53 5.415 -8.135 9.898 1.00 1.61 H new ATOM 833 N THR A 54 3.483 -6.338 8.556 1.00 0.75 N ATOM 834 CA THR A 54 3.810 -5.091 7.836 1.00 0.69 C ATOM 835 C THR A 54 2.813 -3.986 8.161 1.00 0.87 C ATOM 836 O THR A 54 3.242 -2.918 8.591 1.00 0.95 O ATOM 837 CB THR A 54 3.918 -5.324 6.323 1.00 0.72 C ATOM 838 OG1 THR A 54 5.151 -5.929 6.022 1.00 1.07 O ATOM 839 CG2 THR A 54 3.909 -4.030 5.499 1.00 0.83 C ATOM 0 H THR A 54 3.370 -7.142 7.938 1.00 0.75 H new ATOM 0 HA THR A 54 4.790 -4.762 8.182 1.00 0.69 H new ATOM 0 HB THR A 54 3.052 -5.935 6.069 1.00 0.72 H new ATOM 0 HG1 THR A 54 5.376 -6.578 6.721 1.00 1.07 H new ATOM 0 HG21 THR A 54 3.988 -4.273 4.439 1.00 0.83 H new ATOM 0 HG22 THR A 54 2.979 -3.491 5.679 1.00 0.83 H new ATOM 0 HG23 THR A 54 4.753 -3.406 5.792 1.00 0.83 H new ATOM 847 N LEU A 55 1.500 -4.214 8.024 1.00 0.72 N ATOM 848 CA LEU A 55 0.510 -3.178 8.360 1.00 0.82 C ATOM 849 C LEU A 55 0.569 -2.765 9.840 1.00 1.24 C ATOM 850 O LEU A 55 0.335 -1.596 10.149 1.00 1.49 O ATOM 851 CB LEU A 55 -0.920 -3.650 8.022 1.00 0.99 C ATOM 852 CG LEU A 55 -1.297 -3.806 6.535 1.00 1.09 C ATOM 853 CD1 LEU A 55 -2.810 -4.081 6.420 1.00 1.72 C ATOM 854 CD2 LEU A 55 -0.909 -2.565 5.716 1.00 1.89 C ATOM 0 H LEU A 55 1.102 -5.091 7.689 1.00 0.72 H new ATOM 0 HA LEU A 55 0.763 -2.307 7.755 1.00 0.82 H new ATOM 0 HB2 LEU A 55 -1.078 -4.612 8.510 1.00 0.99 H new ATOM 0 HB3 LEU A 55 -1.620 -2.946 8.472 1.00 0.99 H new ATOM 0 HG LEU A 55 -0.739 -4.647 6.124 1.00 1.09 H new ATOM 0 HD11 LEU A 55 -3.081 -4.192 5.370 1.00 1.72 H new ATOM 0 HD12 LEU A 55 -3.055 -4.997 6.957 1.00 1.72 H new ATOM 0 HD13 LEU A 55 -3.365 -3.248 6.852 1.00 1.72 H new ATOM 0 HD21 LEU A 55 -1.191 -2.714 4.674 1.00 1.89 H new ATOM 0 HD22 LEU A 55 -1.428 -1.692 6.111 1.00 1.89 H new ATOM 0 HD23 LEU A 55 0.168 -2.408 5.782 1.00 1.89 H new ATOM 866 N LEU A 56 0.885 -3.694 10.751 1.00 0.74 N ATOM 867 CA LEU A 56 1.098 -3.404 12.169 1.00 0.74 C ATOM 868 C LEU A 56 2.285 -2.448 12.350 1.00 1.08 C ATOM 869 O LEU A 56 2.131 -1.399 12.978 1.00 1.23 O ATOM 870 CB LEU A 56 1.278 -4.732 12.940 1.00 0.83 C ATOM 871 CG LEU A 56 0.713 -4.726 14.375 1.00 1.32 C ATOM 872 CD1 LEU A 56 0.894 -6.118 14.995 1.00 1.49 C ATOM 873 CD2 LEU A 56 1.365 -3.674 15.283 1.00 2.01 C ATOM 0 H LEU A 56 1.001 -4.680 10.518 1.00 0.74 H new ATOM 0 HA LEU A 56 0.227 -2.896 12.582 1.00 0.74 H new ATOM 0 HB2 LEU A 56 0.795 -5.531 12.377 1.00 0.83 H new ATOM 0 HB3 LEU A 56 2.341 -4.970 12.984 1.00 0.83 H new ATOM 0 HG LEU A 56 -0.342 -4.464 14.299 1.00 1.32 H new ATOM 0 HD11 LEU A 56 0.496 -6.119 16.010 1.00 1.49 H new ATOM 0 HD12 LEU A 56 0.361 -6.856 14.395 1.00 1.49 H new ATOM 0 HD13 LEU A 56 1.954 -6.370 15.021 1.00 1.49 H new ATOM 0 HD21 LEU A 56 0.920 -3.725 16.277 1.00 2.01 H new ATOM 0 HD22 LEU A 56 2.435 -3.868 15.354 1.00 2.01 H new ATOM 0 HD23 LEU A 56 1.203 -2.681 14.864 1.00 2.01 H new ATOM 885 N ALA A 57 3.448 -2.767 11.774 1.00 0.75 N ATOM 886 CA ALA A 57 4.644 -1.932 11.873 1.00 0.90 C ATOM 887 C ALA A 57 4.437 -0.542 11.251 1.00 1.00 C ATOM 888 O ALA A 57 4.830 0.465 11.851 1.00 1.23 O ATOM 889 CB ALA A 57 5.792 -2.675 11.201 1.00 1.03 C ATOM 0 H ALA A 57 3.585 -3.615 11.224 1.00 0.75 H new ATOM 0 HA ALA A 57 4.873 -1.754 12.924 1.00 0.90 H new ATOM 0 HB1 ALA A 57 6.699 -2.073 11.260 1.00 1.03 H new ATOM 0 HB2 ALA A 57 5.954 -3.627 11.706 1.00 1.03 H new ATOM 0 HB3 ALA A 57 5.545 -2.857 10.155 1.00 1.03 H new ATOM 895 N LEU A 58 3.768 -0.471 10.097 1.00 0.88 N ATOM 896 CA LEU A 58 3.336 0.779 9.464 1.00 0.98 C ATOM 897 C LEU A 58 2.428 1.601 10.381 1.00 1.35 C ATOM 898 O LEU A 58 2.725 2.760 10.653 1.00 1.57 O ATOM 899 CB LEU A 58 2.618 0.472 8.136 1.00 1.04 C ATOM 900 CG LEU A 58 3.519 -0.045 6.994 1.00 1.34 C ATOM 901 CD1 LEU A 58 2.655 -0.327 5.757 1.00 1.42 C ATOM 902 CD2 LEU A 58 4.612 0.962 6.641 1.00 1.97 C ATOM 0 H LEU A 58 3.505 -1.300 9.564 1.00 0.88 H new ATOM 0 HA LEU A 58 4.226 1.377 9.267 1.00 0.98 H new ATOM 0 HB2 LEU A 58 1.842 -0.269 8.326 1.00 1.04 H new ATOM 0 HB3 LEU A 58 2.117 1.378 7.797 1.00 1.04 H new ATOM 0 HG LEU A 58 4.006 -0.961 7.330 1.00 1.34 H new ATOM 0 HD11 LEU A 58 3.287 -0.692 4.947 1.00 1.42 H new ATOM 0 HD12 LEU A 58 1.906 -1.080 6.001 1.00 1.42 H new ATOM 0 HD13 LEU A 58 2.158 0.591 5.443 1.00 1.42 H new ATOM 0 HD21 LEU A 58 5.226 0.564 5.833 1.00 1.97 H new ATOM 0 HD22 LEU A 58 4.155 1.898 6.321 1.00 1.97 H new ATOM 0 HD23 LEU A 58 5.236 1.143 7.516 1.00 1.97 H new ATOM 914 N LYS A 59 1.321 1.046 10.882 1.00 0.78 N ATOM 915 CA LYS A 59 0.366 1.833 11.671 1.00 0.81 C ATOM 916 C LYS A 59 0.963 2.329 13.007 1.00 1.00 C ATOM 917 O LYS A 59 0.605 3.420 13.460 1.00 1.05 O ATOM 918 CB LYS A 59 -0.963 1.061 11.780 1.00 0.99 C ATOM 919 CG LYS A 59 -1.061 0.070 12.953 1.00 1.05 C ATOM 920 CD LYS A 59 -1.813 0.706 14.120 1.00 1.53 C ATOM 921 CE LYS A 59 -2.018 -0.301 15.254 1.00 1.16 C ATOM 922 NZ LYS A 59 -2.679 0.332 16.418 1.00 1.53 N ATOM 0 H LYS A 59 1.065 0.067 10.758 1.00 0.78 H new ATOM 0 HA LYS A 59 0.139 2.765 11.153 1.00 0.81 H new ATOM 0 HB2 LYS A 59 -1.775 1.782 11.868 1.00 0.99 H new ATOM 0 HB3 LYS A 59 -1.122 0.514 10.851 1.00 0.99 H new ATOM 0 HG2 LYS A 59 -1.574 -0.836 12.631 1.00 1.05 H new ATOM 0 HG3 LYS A 59 -0.062 -0.226 13.273 1.00 1.05 H new ATOM 0 HD2 LYS A 59 -1.257 1.567 14.490 1.00 1.53 H new ATOM 0 HD3 LYS A 59 -2.780 1.075 13.777 1.00 1.53 H new ATOM 0 HE2 LYS A 59 -2.622 -1.135 14.898 1.00 1.16 H new ATOM 0 HE3 LYS A 59 -1.055 -0.712 15.558 1.00 1.16 H new ATOM 0 HZ1 LYS A 59 -3.434 -0.291 16.770 1.00 1.53 H new ATOM 0 HZ2 LYS A 59 -1.980 0.488 17.172 1.00 1.53 H new ATOM 0 HZ3 LYS A 59 -3.089 1.244 16.131 1.00 1.53 H new ATOM 936 N ARG A 60 1.943 1.608 13.572 1.00 0.87 N ATOM 937 CA ARG A 60 2.746 2.054 14.724 1.00 0.97 C ATOM 938 C ARG A 60 3.532 3.350 14.448 1.00 1.36 C ATOM 939 O ARG A 60 3.799 4.090 15.393 1.00 1.36 O ATOM 940 CB ARG A 60 3.696 0.931 15.176 1.00 1.03 C ATOM 941 CG ARG A 60 3.001 -0.314 15.760 1.00 1.14 C ATOM 942 CD ARG A 60 2.956 -0.366 17.292 1.00 1.74 C ATOM 943 NE ARG A 60 1.858 0.433 17.861 1.00 3.10 N ATOM 944 CZ ARG A 60 1.595 0.611 19.151 1.00 4.24 C ATOM 945 NH1 ARG A 60 2.396 0.159 20.092 1.00 4.19 N ATOM 946 NH2 ARG A 60 0.503 1.244 19.516 1.00 5.74 N ATOM 0 H ARG A 60 2.206 0.681 13.236 1.00 0.87 H new ATOM 0 HA ARG A 60 2.045 2.284 15.527 1.00 0.97 H new ATOM 0 HB2 ARG A 60 4.303 0.624 14.324 1.00 1.03 H new ATOM 0 HB3 ARG A 60 4.379 1.332 15.925 1.00 1.03 H new ATOM 0 HG2 ARG A 60 1.981 -0.355 15.379 1.00 1.14 H new ATOM 0 HG3 ARG A 60 3.514 -1.204 15.395 1.00 1.14 H new ATOM 0 HD2 ARG A 60 2.848 -1.402 17.612 1.00 1.74 H new ATOM 0 HD3 ARG A 60 3.905 -0.006 17.691 1.00 1.74 H new ATOM 0 HE ARG A 60 1.237 0.897 17.198 1.00 3.10 H new ATOM 0 HH11 ARG A 60 3.247 -0.344 19.839 1.00 4.19 H new ATOM 0 HH12 ARG A 60 2.166 0.312 21.074 1.00 4.19 H new ATOM 0 HH21 ARG A 60 -0.142 1.598 18.809 1.00 5.74 H new ATOM 0 HH22 ARG A 60 0.300 1.381 20.506 1.00 5.74 H new ATOM 960 N ALA A 61 3.876 3.654 13.187 1.00 1.08 N ATOM 961 CA ALA A 61 4.477 4.933 12.802 1.00 1.17 C ATOM 962 C ALA A 61 3.460 6.079 12.900 1.00 1.34 C ATOM 963 O ALA A 61 3.736 7.089 13.539 1.00 1.47 O ATOM 964 CB ALA A 61 5.077 4.826 11.389 1.00 1.26 C ATOM 0 H ALA A 61 3.743 3.014 12.404 1.00 1.08 H new ATOM 0 HA ALA A 61 5.282 5.164 13.499 1.00 1.17 H new ATOM 0 HB1 ALA A 61 5.522 5.781 11.109 1.00 1.26 H new ATOM 0 HB2 ALA A 61 5.843 4.051 11.377 1.00 1.26 H new ATOM 0 HB3 ALA A 61 4.291 4.570 10.678 1.00 1.26 H new ATOM 970 N TYR A 62 2.257 5.898 12.343 1.00 1.15 N ATOM 971 CA TYR A 62 1.152 6.861 12.436 1.00 1.24 C ATOM 972 C TYR A 62 0.770 7.187 13.895 1.00 1.48 C ATOM 973 O TYR A 62 0.562 8.354 14.223 1.00 1.68 O ATOM 974 CB TYR A 62 -0.040 6.293 11.641 1.00 1.28 C ATOM 975 CG TYR A 62 -1.336 7.076 11.746 1.00 1.86 C ATOM 976 CD1 TYR A 62 -2.128 6.965 12.906 1.00 2.79 C ATOM 977 CD2 TYR A 62 -1.769 7.892 10.683 1.00 2.30 C ATOM 978 CE1 TYR A 62 -3.319 7.698 13.027 1.00 3.37 C ATOM 979 CE2 TYR A 62 -2.985 8.597 10.779 1.00 2.78 C ATOM 980 CZ TYR A 62 -3.762 8.501 11.955 1.00 3.06 C ATOM 981 OH TYR A 62 -4.938 9.174 12.063 1.00 3.74 O ATOM 0 H TYR A 62 2.019 5.064 11.806 1.00 1.15 H new ATOM 0 HA TYR A 62 1.466 7.812 12.007 1.00 1.24 H new ATOM 0 HB2 TYR A 62 0.243 6.234 10.590 1.00 1.28 H new ATOM 0 HB3 TYR A 62 -0.225 5.273 11.979 1.00 1.28 H new ATOM 0 HD1 TYR A 62 -1.817 6.312 13.708 1.00 2.79 H new ATOM 0 HD2 TYR A 62 -1.167 7.978 9.791 1.00 2.30 H new ATOM 0 HE1 TYR A 62 -3.895 7.647 13.939 1.00 3.37 H new ATOM 0 HE2 TYR A 62 -3.322 9.209 9.956 1.00 2.78 H new ATOM 0 HH TYR A 62 -4.883 9.811 12.806 1.00 3.74 H new ATOM 991 N GLU A 63 0.735 6.166 14.763 1.00 1.14 N ATOM 992 CA GLU A 63 0.473 6.291 16.205 1.00 1.26 C ATOM 993 C GLU A 63 1.539 7.122 16.941 1.00 1.48 C ATOM 994 O GLU A 63 1.285 7.617 18.034 1.00 1.73 O ATOM 995 CB GLU A 63 0.404 4.890 16.843 1.00 1.30 C ATOM 996 CG GLU A 63 -0.874 4.120 16.501 1.00 1.46 C ATOM 997 CD GLU A 63 -0.820 2.698 17.058 1.00 1.95 C ATOM 998 OE1 GLU A 63 -0.093 1.828 16.537 1.00 2.35 O ATOM 999 OE2 GLU A 63 -1.562 2.340 17.991 1.00 2.91 O ATOM 0 H GLU A 63 0.893 5.201 14.473 1.00 1.14 H new ATOM 0 HA GLU A 63 -0.478 6.814 16.306 1.00 1.26 H new ATOM 0 HB2 GLU A 63 1.266 4.309 16.516 1.00 1.30 H new ATOM 0 HB3 GLU A 63 0.479 4.990 17.926 1.00 1.30 H new ATOM 0 HG2 GLU A 63 -1.739 4.643 16.910 1.00 1.46 H new ATOM 0 HG3 GLU A 63 -1.005 4.086 15.419 1.00 1.46 H new ATOM 1006 N LYS A 64 2.731 7.286 16.360 1.00 1.22 N ATOM 1007 CA LYS A 64 3.838 8.057 16.924 1.00 1.30 C ATOM 1008 C LYS A 64 3.905 9.505 16.390 1.00 1.42 C ATOM 1009 O LYS A 64 4.621 10.335 16.951 1.00 1.66 O ATOM 1010 CB LYS A 64 5.093 7.229 16.609 1.00 1.35 C ATOM 1011 CG LYS A 64 6.359 7.655 17.359 1.00 1.74 C ATOM 1012 CD LYS A 64 7.487 6.651 17.091 1.00 2.04 C ATOM 1013 CE LYS A 64 7.233 5.313 17.799 1.00 2.82 C ATOM 1014 NZ LYS A 64 8.332 4.348 17.573 1.00 3.90 N ATOM 0 H LYS A 64 2.957 6.872 15.456 1.00 1.22 H new ATOM 0 HA LYS A 64 3.720 8.205 17.997 1.00 1.30 H new ATOM 0 HB2 LYS A 64 4.887 6.184 16.840 1.00 1.35 H new ATOM 0 HB3 LYS A 64 5.288 7.286 15.538 1.00 1.35 H new ATOM 0 HG2 LYS A 64 6.664 8.651 17.039 1.00 1.74 H new ATOM 0 HG3 LYS A 64 6.157 7.711 18.429 1.00 1.74 H new ATOM 0 HD2 LYS A 64 7.579 6.484 16.018 1.00 2.04 H new ATOM 0 HD3 LYS A 64 8.435 7.069 17.430 1.00 2.04 H new ATOM 0 HE2 LYS A 64 7.117 5.486 18.869 1.00 2.82 H new ATOM 0 HE3 LYS A 64 6.296 4.886 17.441 1.00 2.82 H new ATOM 0 HZ1 LYS A 64 8.424 3.726 18.401 1.00 3.90 H new ATOM 0 HZ2 LYS A 64 8.123 3.775 16.731 1.00 3.90 H new ATOM 0 HZ3 LYS A 64 9.223 4.864 17.428 1.00 3.90 H new ATOM 1028 N LEU A 65 3.182 9.820 15.308 1.00 1.23 N ATOM 1029 CA LEU A 65 3.041 11.178 14.772 1.00 1.32 C ATOM 1030 C LEU A 65 2.017 11.975 15.603 1.00 1.71 C ATOM 1031 O LEU A 65 1.040 11.383 16.066 1.00 1.86 O ATOM 1032 CB LEU A 65 2.578 11.109 13.300 1.00 1.33 C ATOM 1033 CG LEU A 65 3.551 10.430 12.317 1.00 1.39 C ATOM 1034 CD1 LEU A 65 2.920 10.427 10.917 1.00 1.60 C ATOM 1035 CD2 LEU A 65 4.921 11.121 12.264 1.00 2.11 C ATOM 0 H LEU A 65 2.668 9.122 14.770 1.00 1.23 H new ATOM 0 HA LEU A 65 4.006 11.682 14.826 1.00 1.32 H new ATOM 0 HB2 LEU A 65 1.627 10.578 13.264 1.00 1.33 H new ATOM 0 HB3 LEU A 65 2.390 12.124 12.951 1.00 1.33 H new ATOM 0 HG LEU A 65 3.723 9.413 12.670 1.00 1.39 H new ATOM 0 HD11 LEU A 65 3.600 9.949 10.212 1.00 1.60 H new ATOM 0 HD12 LEU A 65 1.979 9.877 10.943 1.00 1.60 H new ATOM 0 HD13 LEU A 65 2.732 11.453 10.600 1.00 1.60 H new ATOM 0 HD21 LEU A 65 5.564 10.599 11.555 1.00 2.11 H new ATOM 0 HD22 LEU A 65 4.795 12.156 11.946 1.00 2.11 H new ATOM 0 HD23 LEU A 65 5.378 11.099 13.253 1.00 2.11 H new ATOM 1047 N PRO A 66 2.163 13.308 15.747 1.00 1.56 N ATOM 1048 CA PRO A 66 1.128 14.131 16.354 1.00 1.79 C ATOM 1049 C PRO A 66 -0.102 14.148 15.439 1.00 1.74 C ATOM 1050 O PRO A 66 0.052 14.017 14.218 1.00 1.38 O ATOM 1051 CB PRO A 66 1.734 15.531 16.501 1.00 2.09 C ATOM 1052 CG PRO A 66 2.732 15.602 15.348 1.00 2.01 C ATOM 1053 CD PRO A 66 3.204 14.157 15.183 1.00 1.75 C ATOM 0 HA PRO A 66 0.806 13.752 17.324 1.00 1.79 H new ATOM 0 HB2 PRO A 66 0.974 16.309 16.424 1.00 2.09 H new ATOM 0 HB3 PRO A 66 2.224 15.658 17.466 1.00 2.09 H new ATOM 0 HG2 PRO A 66 2.265 15.976 14.437 1.00 2.01 H new ATOM 0 HG3 PRO A 66 3.562 16.270 15.578 1.00 2.01 H new ATOM 0 HD2 PRO A 66 3.368 13.921 14.131 1.00 1.75 H new ATOM 0 HD3 PRO A 66 4.152 13.999 15.696 1.00 1.75 H new ATOM 1061 N PRO A 67 -1.311 14.378 15.985 1.00 1.66 N ATOM 1062 CA PRO A 67 -2.535 14.403 15.196 1.00 1.70 C ATOM 1063 C PRO A 67 -2.482 15.432 14.062 1.00 1.71 C ATOM 1064 O PRO A 67 -3.104 15.207 13.031 1.00 1.62 O ATOM 1065 CB PRO A 67 -3.671 14.684 16.185 1.00 2.10 C ATOM 1066 CG PRO A 67 -2.971 15.340 17.374 1.00 2.33 C ATOM 1067 CD PRO A 67 -1.605 14.661 17.381 1.00 2.02 C ATOM 0 HA PRO A 67 -2.687 13.451 14.688 1.00 1.70 H new ATOM 0 HB2 PRO A 67 -4.424 15.343 15.752 1.00 2.10 H new ATOM 0 HB3 PRO A 67 -4.181 13.766 16.478 1.00 2.10 H new ATOM 0 HG2 PRO A 67 -2.885 16.419 17.247 1.00 2.33 H new ATOM 0 HG3 PRO A 67 -3.512 15.170 18.305 1.00 2.33 H new ATOM 0 HD2 PRO A 67 -0.846 15.309 17.820 1.00 2.02 H new ATOM 0 HD3 PRO A 67 -1.624 13.746 17.973 1.00 2.02 H new ATOM 1075 N LYS A 68 -1.678 16.502 14.178 1.00 1.73 N ATOM 1076 CA LYS A 68 -1.630 17.543 13.135 1.00 1.80 C ATOM 1077 C LYS A 68 -0.789 17.115 11.915 1.00 1.74 C ATOM 1078 O LYS A 68 -0.952 17.647 10.820 1.00 1.71 O ATOM 1079 CB LYS A 68 -1.164 18.881 13.751 1.00 2.18 C ATOM 1080 CG LYS A 68 -2.233 19.988 13.629 1.00 2.56 C ATOM 1081 CD LYS A 68 -2.335 20.593 12.217 1.00 2.34 C ATOM 1082 CE LYS A 68 -3.473 21.628 12.125 1.00 3.06 C ATOM 1083 NZ LYS A 68 -4.783 20.983 11.869 1.00 3.48 N ATOM 0 H LYS A 68 -1.060 16.669 14.972 1.00 1.73 H new ATOM 0 HA LYS A 68 -2.637 17.688 12.745 1.00 1.80 H new ATOM 0 HB2 LYS A 68 -0.921 18.729 14.803 1.00 2.18 H new ATOM 0 HB3 LYS A 68 -0.249 19.207 13.256 1.00 2.18 H new ATOM 0 HG2 LYS A 68 -3.203 19.578 13.910 1.00 2.56 H new ATOM 0 HG3 LYS A 68 -2.005 20.782 14.340 1.00 2.56 H new ATOM 0 HD2 LYS A 68 -1.389 21.067 11.954 1.00 2.34 H new ATOM 0 HD3 LYS A 68 -2.506 19.798 11.491 1.00 2.34 H new ATOM 0 HE2 LYS A 68 -3.523 22.197 13.053 1.00 3.06 H new ATOM 0 HE3 LYS A 68 -3.255 22.338 11.327 1.00 3.06 H new ATOM 0 HZ1 LYS A 68 -5.548 21.624 12.159 1.00 3.48 H new ATOM 0 HZ2 LYS A 68 -4.874 20.772 10.855 1.00 3.48 H new ATOM 0 HZ3 LYS A 68 -4.847 20.099 12.413 1.00 3.48 H new ATOM 1097 N ALA A 69 0.122 16.155 12.106 1.00 1.48 N ATOM 1098 CA ALA A 69 0.706 15.376 11.020 1.00 1.35 C ATOM 1099 C ALA A 69 -0.235 14.282 10.491 1.00 1.24 C ATOM 1100 O ALA A 69 -0.269 14.059 9.287 1.00 1.26 O ATOM 1101 CB ALA A 69 2.032 14.784 11.488 1.00 1.43 C ATOM 0 H ALA A 69 0.475 15.898 13.028 1.00 1.48 H new ATOM 0 HA ALA A 69 0.877 16.049 10.179 1.00 1.35 H new ATOM 0 HB1 ALA A 69 2.475 14.200 10.681 1.00 1.43 H new ATOM 0 HB2 ALA A 69 2.711 15.589 11.768 1.00 1.43 H new ATOM 0 HB3 ALA A 69 1.859 14.139 12.350 1.00 1.43 H new ATOM 1107 N GLN A 70 -0.996 13.594 11.351 1.00 1.08 N ATOM 1108 CA GLN A 70 -1.870 12.477 10.950 1.00 1.02 C ATOM 1109 C GLN A 70 -2.866 12.876 9.848 1.00 1.06 C ATOM 1110 O GLN A 70 -3.067 12.094 8.923 1.00 1.28 O ATOM 1111 CB GLN A 70 -2.599 11.910 12.178 1.00 1.20 C ATOM 1112 CG GLN A 70 -1.671 11.141 13.144 1.00 2.01 C ATOM 1113 CD GLN A 70 -2.369 10.701 14.436 1.00 2.36 C ATOM 1114 OE1 GLN A 70 -3.584 10.647 14.537 1.00 2.37 O ATOM 1115 NE2 GLN A 70 -1.641 10.389 15.485 1.00 3.41 N ATOM 0 H GLN A 70 -1.025 13.795 12.351 1.00 1.08 H new ATOM 0 HA GLN A 70 -1.236 11.700 10.524 1.00 1.02 H new ATOM 0 HB2 GLN A 70 -3.075 12.728 12.718 1.00 1.20 H new ATOM 0 HB3 GLN A 70 -3.394 11.244 11.843 1.00 1.20 H new ATOM 0 HG2 GLN A 70 -1.277 10.261 12.635 1.00 2.01 H new ATOM 0 HG3 GLN A 70 -0.819 11.772 13.397 1.00 2.01 H new ATOM 0 HE21 GLN A 70 -0.623 10.425 15.429 1.00 3.41 H new ATOM 0 HE22 GLN A 70 -2.094 10.110 16.355 1.00 3.41 H new ATOM 1124 N GLU A 71 -3.381 14.115 9.859 1.00 1.14 N ATOM 1125 CA GLU A 71 -4.218 14.748 8.804 1.00 1.21 C ATOM 1126 C GLU A 71 -3.651 14.610 7.377 1.00 1.24 C ATOM 1127 O GLU A 71 -4.351 14.780 6.382 1.00 1.51 O ATOM 1128 CB GLU A 71 -4.401 16.266 9.074 1.00 1.44 C ATOM 1129 CG GLU A 71 -4.374 16.630 10.562 1.00 2.04 C ATOM 1130 CD GLU A 71 -4.723 18.074 10.917 1.00 2.74 C ATOM 1131 OE1 GLU A 71 -4.657 18.981 10.057 1.00 2.82 O ATOM 1132 OE2 GLU A 71 -4.929 18.345 12.120 1.00 3.95 O ATOM 0 H GLU A 71 -3.221 14.745 10.645 1.00 1.14 H new ATOM 0 HA GLU A 71 -5.164 14.209 8.854 1.00 1.21 H new ATOM 0 HB2 GLU A 71 -3.613 16.816 8.559 1.00 1.44 H new ATOM 0 HB3 GLU A 71 -5.349 16.591 8.646 1.00 1.44 H new ATOM 0 HG2 GLU A 71 -5.067 15.973 11.087 1.00 2.04 H new ATOM 0 HG3 GLU A 71 -3.377 16.415 10.948 1.00 2.04 H new ATOM 1139 N ARG A 72 -2.349 14.339 7.283 1.00 0.95 N ATOM 1140 CA ARG A 72 -1.596 14.151 6.054 1.00 0.97 C ATOM 1141 C ARG A 72 -1.396 12.682 5.691 1.00 1.20 C ATOM 1142 O ARG A 72 -1.005 12.447 4.557 1.00 1.48 O ATOM 1143 CB ARG A 72 -0.227 14.810 6.200 1.00 1.41 C ATOM 1144 CG ARG A 72 -0.351 16.253 6.701 1.00 1.58 C ATOM 1145 CD ARG A 72 1.016 16.885 6.582 1.00 1.47 C ATOM 1146 NE ARG A 72 0.950 18.320 6.887 1.00 2.29 N ATOM 1147 CZ ARG A 72 1.840 19.220 6.504 1.00 2.78 C ATOM 1148 NH1 ARG A 72 2.962 18.878 5.907 1.00 3.23 N ATOM 1149 NH2 ARG A 72 1.595 20.494 6.720 1.00 3.70 N ATOM 0 H ARG A 72 -1.763 14.240 8.112 1.00 0.95 H new ATOM 0 HA ARG A 72 -2.177 14.608 5.253 1.00 0.97 H new ATOM 0 HB2 ARG A 72 0.384 14.233 6.895 1.00 1.41 H new ATOM 0 HB3 ARG A 72 0.288 14.800 5.239 1.00 1.41 H new ATOM 0 HG2 ARG A 72 -1.083 16.804 6.110 1.00 1.58 H new ATOM 0 HG3 ARG A 72 -0.696 16.273 7.735 1.00 1.58 H new ATOM 0 HD2 ARG A 72 1.710 16.394 7.264 1.00 1.47 H new ATOM 0 HD3 ARG A 72 1.403 16.739 5.574 1.00 1.47 H new ATOM 0 HE ARG A 72 0.156 18.648 7.437 1.00 2.29 H new ATOM 0 HH11 ARG A 72 3.165 17.895 5.728 1.00 3.23 H new ATOM 0 HH12 ARG A 72 3.628 19.596 5.624 1.00 3.23 H new ATOM 0 HH21 ARG A 72 0.728 20.776 7.177 1.00 3.70 H new ATOM 0 HH22 ARG A 72 2.272 21.200 6.430 1.00 3.70 H new ATOM 1163 N VAL A 73 -1.604 11.726 6.596 1.00 0.86 N ATOM 1164 CA VAL A 73 -1.176 10.322 6.458 1.00 0.89 C ATOM 1165 C VAL A 73 -2.388 9.387 6.474 1.00 1.19 C ATOM 1166 O VAL A 73 -3.170 9.383 7.422 1.00 1.47 O ATOM 1167 CB VAL A 73 -0.159 9.916 7.552 1.00 1.04 C ATOM 1168 CG1 VAL A 73 0.351 8.478 7.347 1.00 1.42 C ATOM 1169 CG2 VAL A 73 1.056 10.863 7.564 1.00 2.00 C ATOM 0 H VAL A 73 -2.089 11.906 7.475 1.00 0.86 H new ATOM 0 HA VAL A 73 -0.672 10.228 5.496 1.00 0.89 H new ATOM 0 HB VAL A 73 -0.688 9.981 8.503 1.00 1.04 H new ATOM 0 HG11 VAL A 73 1.063 8.229 8.134 1.00 1.42 H new ATOM 0 HG12 VAL A 73 -0.489 7.785 7.385 1.00 1.42 H new ATOM 0 HG13 VAL A 73 0.841 8.401 6.377 1.00 1.42 H new ATOM 0 HG21 VAL A 73 1.752 10.552 8.343 1.00 2.00 H new ATOM 0 HG22 VAL A 73 1.555 10.827 6.596 1.00 2.00 H new ATOM 0 HG23 VAL A 73 0.722 11.881 7.762 1.00 2.00 H new ATOM 1179 N GLN A 74 -2.539 8.575 5.426 1.00 0.89 N ATOM 1180 CA GLN A 74 -3.585 7.551 5.324 1.00 0.94 C ATOM 1181 C GLN A 74 -3.009 6.263 4.725 1.00 1.12 C ATOM 1182 O GLN A 74 -1.909 6.272 4.173 1.00 1.43 O ATOM 1183 CB GLN A 74 -4.777 8.061 4.490 1.00 1.12 C ATOM 1184 CG GLN A 74 -5.441 9.307 5.095 1.00 1.82 C ATOM 1185 CD GLN A 74 -6.687 9.727 4.325 1.00 2.04 C ATOM 1186 OE1 GLN A 74 -6.691 10.685 3.575 1.00 2.75 O ATOM 1187 NE2 GLN A 74 -7.799 9.041 4.465 1.00 2.76 N ATOM 0 H GLN A 74 -1.928 8.610 4.610 1.00 0.89 H new ATOM 0 HA GLN A 74 -3.952 7.332 6.327 1.00 0.94 H new ATOM 0 HB2 GLN A 74 -4.436 8.291 3.481 1.00 1.12 H new ATOM 0 HB3 GLN A 74 -5.519 7.267 4.402 1.00 1.12 H new ATOM 0 HG2 GLN A 74 -5.708 9.107 6.133 1.00 1.82 H new ATOM 0 HG3 GLN A 74 -4.726 10.130 5.103 1.00 1.82 H new ATOM 0 HE21 GLN A 74 -7.825 8.233 5.087 1.00 2.76 H new ATOM 0 HE22 GLN A 74 -8.636 9.316 3.952 1.00 2.76 H new ATOM 1196 N VAL A 75 -3.734 5.146 4.841 1.00 0.80 N ATOM 1197 CA VAL A 75 -3.235 3.833 4.398 1.00 0.80 C ATOM 1198 C VAL A 75 -4.231 3.199 3.434 1.00 0.84 C ATOM 1199 O VAL A 75 -5.443 3.234 3.666 1.00 1.16 O ATOM 1200 CB VAL A 75 -2.939 2.879 5.578 1.00 0.96 C ATOM 1201 CG1 VAL A 75 -2.045 1.726 5.090 1.00 0.92 C ATOM 1202 CG2 VAL A 75 -2.234 3.574 6.759 1.00 1.40 C ATOM 0 H VAL A 75 -4.673 5.122 5.239 1.00 0.80 H new ATOM 0 HA VAL A 75 -2.287 4.001 3.887 1.00 0.80 H new ATOM 0 HB VAL A 75 -3.903 2.517 5.935 1.00 0.96 H new ATOM 0 HG11 VAL A 75 -1.835 1.052 5.920 1.00 0.92 H new ATOM 0 HG12 VAL A 75 -2.557 1.178 4.299 1.00 0.92 H new ATOM 0 HG13 VAL A 75 -1.109 2.130 4.705 1.00 0.92 H new ATOM 0 HG21 VAL A 75 -2.055 2.849 7.553 1.00 1.40 H new ATOM 0 HG22 VAL A 75 -1.283 3.986 6.423 1.00 1.40 H new ATOM 0 HG23 VAL A 75 -2.865 4.378 7.137 1.00 1.40 H new ATOM 1212 N ILE A 76 -3.724 2.643 2.333 1.00 0.62 N ATOM 1213 CA ILE A 76 -4.535 2.118 1.233 1.00 0.54 C ATOM 1214 C ILE A 76 -4.016 0.731 0.876 1.00 0.72 C ATOM 1215 O ILE A 76 -2.892 0.545 0.408 1.00 0.96 O ATOM 1216 CB ILE A 76 -4.569 3.110 0.048 1.00 0.71 C ATOM 1217 CG1 ILE A 76 -5.095 4.474 0.566 1.00 1.13 C ATOM 1218 CG2 ILE A 76 -5.458 2.540 -1.076 1.00 0.85 C ATOM 1219 CD1 ILE A 76 -5.399 5.520 -0.498 1.00 1.77 C ATOM 0 H ILE A 76 -2.721 2.543 2.178 1.00 0.62 H new ATOM 0 HA ILE A 76 -5.578 2.011 1.531 1.00 0.54 H new ATOM 0 HB ILE A 76 -3.572 3.257 -0.367 1.00 0.71 H new ATOM 0 HG12 ILE A 76 -6.003 4.296 1.142 1.00 1.13 H new ATOM 0 HG13 ILE A 76 -4.358 4.888 1.254 1.00 1.13 H new ATOM 0 HG21 ILE A 76 -5.482 3.240 -1.911 1.00 0.85 H new ATOM 0 HG22 ILE A 76 -5.052 1.586 -1.413 1.00 0.85 H new ATOM 0 HG23 ILE A 76 -6.470 2.390 -0.699 1.00 0.85 H new ATOM 0 HD11 ILE A 76 -5.759 6.431 -0.020 1.00 1.77 H new ATOM 0 HD12 ILE A 76 -4.492 5.740 -1.061 1.00 1.77 H new ATOM 0 HD13 ILE A 76 -6.163 5.139 -1.175 1.00 1.77 H new ATOM 1231 N PHE A 77 -4.856 -0.254 1.163 1.00 0.54 N ATOM 1232 CA PHE A 77 -4.539 -1.668 1.040 1.00 0.53 C ATOM 1233 C PHE A 77 -5.149 -2.207 -0.256 1.00 1.37 C ATOM 1234 O PHE A 77 -6.368 -2.216 -0.415 1.00 1.76 O ATOM 1235 CB PHE A 77 -5.057 -2.395 2.289 1.00 0.68 C ATOM 1236 CG PHE A 77 -4.699 -3.866 2.342 1.00 0.84 C ATOM 1237 CD1 PHE A 77 -3.351 -4.253 2.464 1.00 2.15 C ATOM 1238 CD2 PHE A 77 -5.706 -4.846 2.284 1.00 1.78 C ATOM 1239 CE1 PHE A 77 -3.009 -5.616 2.535 1.00 2.13 C ATOM 1240 CE2 PHE A 77 -5.366 -6.207 2.355 1.00 1.86 C ATOM 1241 CZ PHE A 77 -4.020 -6.596 2.480 1.00 1.36 C ATOM 0 H PHE A 77 -5.805 -0.085 1.498 1.00 0.54 H new ATOM 0 HA PHE A 77 -3.463 -1.833 0.982 1.00 0.53 H new ATOM 0 HB2 PHE A 77 -4.656 -1.903 3.175 1.00 0.68 H new ATOM 0 HB3 PHE A 77 -6.142 -2.294 2.331 1.00 0.68 H new ATOM 0 HD1 PHE A 77 -2.577 -3.501 2.503 1.00 2.15 H new ATOM 0 HD2 PHE A 77 -6.741 -4.552 2.185 1.00 1.78 H new ATOM 0 HE1 PHE A 77 -1.974 -5.910 2.631 1.00 2.13 H new ATOM 0 HE2 PHE A 77 -6.141 -6.958 2.313 1.00 1.86 H new ATOM 0 HZ PHE A 77 -3.762 -7.643 2.534 1.00 1.36 H new ATOM 1251 N VAL A 78 -4.298 -2.641 -1.186 1.00 0.47 N ATOM 1252 CA VAL A 78 -4.718 -3.206 -2.474 1.00 0.51 C ATOM 1253 C VAL A 78 -4.645 -4.725 -2.362 1.00 0.89 C ATOM 1254 O VAL A 78 -3.557 -5.292 -2.287 1.00 1.07 O ATOM 1255 CB VAL A 78 -3.852 -2.679 -3.642 1.00 0.71 C ATOM 1256 CG1 VAL A 78 -4.233 -3.340 -4.981 1.00 1.22 C ATOM 1257 CG2 VAL A 78 -4.035 -1.159 -3.786 1.00 1.00 C ATOM 0 H VAL A 78 -3.285 -2.611 -1.067 1.00 0.47 H new ATOM 0 HA VAL A 78 -5.739 -2.897 -2.698 1.00 0.51 H new ATOM 0 HB VAL A 78 -2.816 -2.924 -3.410 1.00 0.71 H new ATOM 0 HG11 VAL A 78 -3.602 -2.943 -5.776 1.00 1.22 H new ATOM 0 HG12 VAL A 78 -4.089 -4.418 -4.908 1.00 1.22 H new ATOM 0 HG13 VAL A 78 -5.278 -3.128 -5.207 1.00 1.22 H new ATOM 0 HG21 VAL A 78 -3.422 -0.795 -4.611 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -5.083 -0.936 -3.987 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -3.730 -0.667 -2.863 1.00 1.00 H new ATOM 1267 N SER A 79 -5.802 -5.379 -2.349 1.00 0.76 N ATOM 1268 CA SER A 79 -5.908 -6.834 -2.353 1.00 0.94 C ATOM 1269 C SER A 79 -5.941 -7.388 -3.775 1.00 1.04 C ATOM 1270 O SER A 79 -6.741 -6.968 -4.610 1.00 1.66 O ATOM 1271 CB SER A 79 -7.110 -7.336 -1.577 1.00 1.63 C ATOM 1272 OG SER A 79 -6.760 -7.649 -0.243 1.00 3.44 O ATOM 0 H SER A 79 -6.706 -4.906 -2.335 1.00 0.76 H new ATOM 0 HA SER A 79 -5.013 -7.200 -1.850 1.00 0.94 H new ATOM 0 HB2 SER A 79 -7.893 -6.578 -1.582 1.00 1.63 H new ATOM 0 HB3 SER A 79 -7.519 -8.220 -2.066 1.00 1.63 H new ATOM 0 HG SER A 79 -6.708 -8.622 -0.138 1.00 3.44 H new ATOM 1278 N VAL A 80 -5.067 -8.354 -4.034 1.00 0.81 N ATOM 1279 CA VAL A 80 -4.509 -8.565 -5.393 1.00 0.85 C ATOM 1280 C VAL A 80 -5.172 -9.685 -6.199 1.00 1.26 C ATOM 1281 O VAL A 80 -4.998 -9.747 -7.412 1.00 1.48 O ATOM 1282 CB VAL A 80 -2.985 -8.814 -5.359 1.00 0.83 C ATOM 1283 CG1 VAL A 80 -2.272 -7.609 -4.716 1.00 2.40 C ATOM 1284 CG2 VAL A 80 -2.633 -10.136 -4.651 1.00 1.78 C ATOM 0 H VAL A 80 -4.721 -9.009 -3.333 1.00 0.81 H new ATOM 0 HA VAL A 80 -4.730 -7.629 -5.906 1.00 0.85 H new ATOM 0 HB VAL A 80 -2.631 -8.916 -6.385 1.00 0.83 H new ATOM 0 HG11 VAL A 80 -1.197 -7.791 -4.695 1.00 2.40 H new ATOM 0 HG12 VAL A 80 -2.477 -6.711 -5.299 1.00 2.40 H new ATOM 0 HG13 VAL A 80 -2.637 -7.471 -3.698 1.00 2.40 H new ATOM 0 HG21 VAL A 80 -1.551 -10.271 -4.650 1.00 1.78 H new ATOM 0 HG22 VAL A 80 -2.996 -10.106 -3.624 1.00 1.78 H new ATOM 0 HG23 VAL A 80 -3.102 -10.967 -5.178 1.00 1.78 H new ATOM 1294 N ASP A 81 -5.934 -10.565 -5.542 1.00 0.74 N ATOM 1295 CA ASP A 81 -6.763 -11.568 -6.213 1.00 0.80 C ATOM 1296 C ASP A 81 -8.252 -11.237 -6.016 1.00 1.01 C ATOM 1297 O ASP A 81 -8.843 -11.672 -5.027 1.00 1.22 O ATOM 1298 CB ASP A 81 -6.417 -12.979 -5.699 1.00 0.97 C ATOM 1299 CG ASP A 81 -7.197 -14.082 -6.428 1.00 1.75 C ATOM 1300 OD1 ASP A 81 -8.050 -13.770 -7.289 1.00 2.95 O ATOM 1301 OD2 ASP A 81 -6.910 -15.276 -6.194 1.00 2.23 O ATOM 0 H ASP A 81 -5.992 -10.601 -4.524 1.00 0.74 H new ATOM 0 HA ASP A 81 -6.557 -11.550 -7.283 1.00 0.80 H new ATOM 0 HB2 ASP A 81 -5.348 -13.154 -5.821 1.00 0.97 H new ATOM 0 HB3 ASP A 81 -6.629 -13.035 -4.631 1.00 0.97 H new ATOM 1306 N PRO A 82 -8.903 -10.512 -6.942 1.00 0.88 N ATOM 1307 CA PRO A 82 -10.318 -10.180 -6.810 1.00 1.04 C ATOM 1308 C PRO A 82 -11.255 -11.371 -7.041 1.00 1.20 C ATOM 1309 O PRO A 82 -12.442 -11.268 -6.737 1.00 1.54 O ATOM 1310 CB PRO A 82 -10.546 -9.067 -7.822 1.00 1.38 C ATOM 1311 CG PRO A 82 -9.528 -9.362 -8.922 1.00 1.41 C ATOM 1312 CD PRO A 82 -8.337 -9.903 -8.136 1.00 1.11 C ATOM 0 HA PRO A 82 -10.552 -9.873 -5.791 1.00 1.04 H new ATOM 0 HB2 PRO A 82 -11.566 -9.079 -8.207 1.00 1.38 H new ATOM 0 HB3 PRO A 82 -10.384 -8.084 -7.379 1.00 1.38 H new ATOM 0 HG2 PRO A 82 -9.906 -10.091 -9.639 1.00 1.41 H new ATOM 0 HG3 PRO A 82 -9.269 -8.466 -9.485 1.00 1.41 H new ATOM 0 HD2 PRO A 82 -7.779 -10.633 -8.722 1.00 1.11 H new ATOM 0 HD3 PRO A 82 -7.642 -9.104 -7.877 1.00 1.11 H new ATOM 1320 N GLU A 83 -10.750 -12.515 -7.519 1.00 0.91 N ATOM 1321 CA GLU A 83 -11.526 -13.758 -7.644 1.00 1.09 C ATOM 1322 C GLU A 83 -11.554 -14.537 -6.307 1.00 1.28 C ATOM 1323 O GLU A 83 -11.979 -15.695 -6.264 1.00 1.85 O ATOM 1324 CB GLU A 83 -10.953 -14.603 -8.800 1.00 1.32 C ATOM 1325 CG GLU A 83 -10.988 -13.905 -10.180 1.00 2.11 C ATOM 1326 CD GLU A 83 -9.711 -14.193 -10.968 1.00 2.68 C ATOM 1327 OE1 GLU A 83 -9.378 -15.392 -11.134 1.00 2.59 O ATOM 1328 OE2 GLU A 83 -8.941 -13.248 -11.257 1.00 3.81 O ATOM 0 H GLU A 83 -9.784 -12.606 -7.833 1.00 0.91 H new ATOM 0 HA GLU A 83 -12.563 -13.516 -7.879 1.00 1.09 H new ATOM 0 HB2 GLU A 83 -9.921 -14.866 -8.565 1.00 1.32 H new ATOM 0 HB3 GLU A 83 -11.513 -15.536 -8.864 1.00 1.32 H new ATOM 0 HG2 GLU A 83 -11.854 -14.250 -10.745 1.00 2.11 H new ATOM 0 HG3 GLU A 83 -11.103 -12.829 -10.045 1.00 2.11 H new ATOM 1335 N ARG A 84 -11.090 -13.916 -5.208 1.00 0.91 N ATOM 1336 CA ARG A 84 -10.961 -14.547 -3.884 1.00 1.00 C ATOM 1337 C ARG A 84 -10.947 -13.568 -2.697 1.00 1.19 C ATOM 1338 O ARG A 84 -11.399 -13.930 -1.613 1.00 1.41 O ATOM 1339 CB ARG A 84 -9.682 -15.410 -3.882 1.00 1.27 C ATOM 1340 CG ARG A 84 -9.852 -16.762 -3.175 1.00 1.68 C ATOM 1341 CD ARG A 84 -10.747 -17.727 -3.970 1.00 2.40 C ATOM 1342 NE ARG A 84 -10.866 -19.034 -3.295 1.00 2.79 N ATOM 1343 CZ ARG A 84 -10.014 -20.055 -3.364 1.00 3.67 C ATOM 1344 NH1 ARG A 84 -8.929 -20.018 -4.100 1.00 4.47 N ATOM 1345 NH2 ARG A 84 -10.229 -21.156 -2.677 1.00 4.66 N ATOM 0 H ARG A 84 -10.788 -12.942 -5.216 1.00 0.91 H new ATOM 0 HA ARG A 84 -11.856 -15.150 -3.733 1.00 1.00 H new ATOM 0 HB2 ARG A 84 -9.371 -15.585 -4.912 1.00 1.27 H new ATOM 0 HB3 ARG A 84 -8.880 -14.854 -3.396 1.00 1.27 H new ATOM 0 HG2 ARG A 84 -8.873 -17.217 -3.026 1.00 1.68 H new ATOM 0 HG3 ARG A 84 -10.283 -16.601 -2.187 1.00 1.68 H new ATOM 0 HD2 ARG A 84 -11.737 -17.288 -4.093 1.00 2.40 H new ATOM 0 HD3 ARG A 84 -10.334 -17.868 -4.969 1.00 2.40 H new ATOM 0 HE ARG A 84 -11.692 -19.170 -2.712 1.00 2.79 H new ATOM 0 HH11 ARG A 84 -8.712 -19.185 -4.647 1.00 4.47 H new ATOM 0 HH12 ARG A 84 -8.302 -20.822 -4.125 1.00 4.47 H new ATOM 0 HH21 ARG A 84 -11.055 -21.234 -2.084 1.00 4.66 H new ATOM 0 HH22 ARG A 84 -9.570 -21.932 -2.738 1.00 4.66 H new ATOM 1359 N ASP A 85 -10.444 -12.348 -2.882 1.00 0.74 N ATOM 1360 CA ASP A 85 -10.114 -11.368 -1.836 1.00 0.77 C ATOM 1361 C ASP A 85 -10.997 -10.090 -1.941 1.00 1.00 C ATOM 1362 O ASP A 85 -10.483 -8.996 -2.182 1.00 1.38 O ATOM 1363 CB ASP A 85 -8.591 -11.081 -1.942 1.00 0.95 C ATOM 1364 CG ASP A 85 -7.903 -11.114 -0.589 1.00 1.28 C ATOM 1365 OD1 ASP A 85 -7.581 -12.221 -0.106 1.00 2.32 O ATOM 1366 OD2 ASP A 85 -7.603 -10.039 -0.031 1.00 1.89 O ATOM 0 H ASP A 85 -10.243 -11.993 -3.817 1.00 0.74 H new ATOM 0 HA ASP A 85 -10.335 -11.765 -0.845 1.00 0.77 H new ATOM 0 HB2 ASP A 85 -8.130 -11.818 -2.600 1.00 0.95 H new ATOM 0 HB3 ASP A 85 -8.439 -10.104 -2.401 1.00 0.95 H new ATOM 1371 N PRO A 86 -12.340 -10.196 -1.826 1.00 0.64 N ATOM 1372 CA PRO A 86 -13.275 -9.132 -2.199 1.00 0.79 C ATOM 1373 C PRO A 86 -13.138 -7.882 -1.313 1.00 0.93 C ATOM 1374 O PRO A 86 -12.715 -7.999 -0.158 1.00 0.73 O ATOM 1375 CB PRO A 86 -14.673 -9.757 -2.110 1.00 0.81 C ATOM 1376 CG PRO A 86 -14.494 -10.863 -1.074 1.00 0.76 C ATOM 1377 CD PRO A 86 -13.083 -11.360 -1.366 1.00 0.65 C ATOM 0 HA PRO A 86 -13.067 -8.768 -3.205 1.00 0.79 H new ATOM 0 HB2 PRO A 86 -15.421 -9.029 -1.796 1.00 0.81 H new ATOM 0 HB3 PRO A 86 -14.999 -10.154 -3.071 1.00 0.81 H new ATOM 0 HG2 PRO A 86 -14.589 -10.485 -0.056 1.00 0.76 H new ATOM 0 HG3 PRO A 86 -15.235 -11.653 -1.191 1.00 0.76 H new ATOM 0 HD2 PRO A 86 -12.626 -11.788 -0.473 1.00 0.65 H new ATOM 0 HD3 PRO A 86 -13.093 -12.142 -2.125 1.00 0.65 H new ATOM 1385 N PRO A 87 -13.523 -6.692 -1.825 1.00 0.55 N ATOM 1386 CA PRO A 87 -13.134 -5.397 -1.264 1.00 0.70 C ATOM 1387 C PRO A 87 -13.547 -5.216 0.194 1.00 0.94 C ATOM 1388 O PRO A 87 -12.770 -4.659 0.957 1.00 0.81 O ATOM 1389 CB PRO A 87 -13.758 -4.323 -2.162 1.00 0.78 C ATOM 1390 CG PRO A 87 -14.820 -5.061 -2.972 1.00 0.76 C ATOM 1391 CD PRO A 87 -14.291 -6.492 -3.046 1.00 0.62 C ATOM 0 HA PRO A 87 -12.047 -5.322 -1.248 1.00 0.70 H new ATOM 0 HB2 PRO A 87 -14.198 -3.520 -1.571 1.00 0.78 H new ATOM 0 HB3 PRO A 87 -13.011 -3.867 -2.812 1.00 0.78 H new ATOM 0 HG2 PRO A 87 -15.795 -5.019 -2.486 1.00 0.76 H new ATOM 0 HG3 PRO A 87 -14.940 -4.627 -3.965 1.00 0.76 H new ATOM 0 HD2 PRO A 87 -15.109 -7.209 -3.116 1.00 0.62 H new ATOM 0 HD3 PRO A 87 -13.667 -6.634 -3.929 1.00 0.62 H new ATOM 1399 N GLU A 88 -14.712 -5.734 0.604 1.00 0.53 N ATOM 1400 CA GLU A 88 -15.100 -5.710 2.018 1.00 0.60 C ATOM 1401 C GLU A 88 -14.141 -6.504 2.908 1.00 0.99 C ATOM 1402 O GLU A 88 -13.787 -6.020 3.972 1.00 1.25 O ATOM 1403 CB GLU A 88 -16.513 -6.269 2.220 1.00 0.74 C ATOM 1404 CG GLU A 88 -17.608 -5.231 1.964 1.00 1.25 C ATOM 1405 CD GLU A 88 -18.907 -5.723 2.591 1.00 2.13 C ATOM 1406 OE1 GLU A 88 -18.949 -5.736 3.844 1.00 3.14 O ATOM 1407 OE2 GLU A 88 -19.804 -6.142 1.832 1.00 3.04 O ATOM 0 H GLU A 88 -15.395 -6.170 -0.016 1.00 0.53 H new ATOM 0 HA GLU A 88 -15.064 -4.661 2.311 1.00 0.60 H new ATOM 0 HB2 GLU A 88 -16.661 -7.118 1.552 1.00 0.74 H new ATOM 0 HB3 GLU A 88 -16.607 -6.645 3.239 1.00 0.74 H new ATOM 0 HG2 GLU A 88 -17.324 -4.269 2.391 1.00 1.25 H new ATOM 0 HG3 GLU A 88 -17.740 -5.078 0.893 1.00 1.25 H new ATOM 1414 N VAL A 89 -13.732 -7.711 2.509 1.00 0.53 N ATOM 1415 CA VAL A 89 -12.913 -8.608 3.350 1.00 0.53 C ATOM 1416 C VAL A 89 -11.485 -8.065 3.470 1.00 0.82 C ATOM 1417 O VAL A 89 -10.901 -8.082 4.556 1.00 0.70 O ATOM 1418 CB VAL A 89 -12.929 -10.060 2.816 1.00 0.58 C ATOM 1419 CG1 VAL A 89 -12.115 -11.022 3.699 1.00 0.83 C ATOM 1420 CG2 VAL A 89 -14.374 -10.597 2.766 1.00 0.95 C ATOM 0 H VAL A 89 -13.956 -8.101 1.593 1.00 0.53 H new ATOM 0 HA VAL A 89 -13.351 -8.635 4.348 1.00 0.53 H new ATOM 0 HB VAL A 89 -12.483 -10.021 1.822 1.00 0.58 H new ATOM 0 HG11 VAL A 89 -12.160 -12.027 3.279 1.00 0.83 H new ATOM 0 HG12 VAL A 89 -11.077 -10.691 3.738 1.00 0.83 H new ATOM 0 HG13 VAL A 89 -12.531 -11.031 4.707 1.00 0.83 H new ATOM 0 HG21 VAL A 89 -14.369 -11.619 2.388 1.00 0.95 H new ATOM 0 HG22 VAL A 89 -14.803 -10.582 3.768 1.00 0.95 H new ATOM 0 HG23 VAL A 89 -14.973 -9.969 2.106 1.00 0.95 H new ATOM 1430 N ALA A 90 -10.961 -7.498 2.375 1.00 0.54 N ATOM 1431 CA ALA A 90 -9.742 -6.697 2.371 1.00 0.57 C ATOM 1432 C ALA A 90 -9.856 -5.483 3.314 1.00 0.79 C ATOM 1433 O ALA A 90 -8.992 -5.290 4.164 1.00 0.93 O ATOM 1434 CB ALA A 90 -9.464 -6.292 0.918 1.00 0.61 C ATOM 0 H ALA A 90 -11.385 -7.589 1.452 1.00 0.54 H new ATOM 0 HA ALA A 90 -8.902 -7.276 2.755 1.00 0.57 H new ATOM 0 HB1 ALA A 90 -8.557 -5.690 0.875 1.00 0.61 H new ATOM 0 HB2 ALA A 90 -9.334 -7.187 0.309 1.00 0.61 H new ATOM 0 HB3 ALA A 90 -10.303 -5.711 0.535 1.00 0.61 H new ATOM 1440 N ASP A 91 -10.948 -4.716 3.232 1.00 0.50 N ATOM 1441 CA ASP A 91 -11.189 -3.529 4.067 1.00 0.51 C ATOM 1442 C ASP A 91 -11.319 -3.857 5.556 1.00 0.92 C ATOM 1443 O ASP A 91 -10.799 -3.106 6.372 1.00 0.97 O ATOM 1444 CB ASP A 91 -12.432 -2.780 3.559 1.00 0.56 C ATOM 1445 CG ASP A 91 -12.627 -1.395 4.196 1.00 0.72 C ATOM 1446 OD1 ASP A 91 -11.867 -0.451 3.869 1.00 1.70 O ATOM 1447 OD2 ASP A 91 -13.571 -1.212 4.998 1.00 1.61 O ATOM 0 H ASP A 91 -11.704 -4.904 2.573 1.00 0.50 H new ATOM 0 HA ASP A 91 -10.312 -2.887 3.977 1.00 0.51 H new ATOM 0 HB2 ASP A 91 -12.358 -2.665 2.478 1.00 0.56 H new ATOM 0 HB3 ASP A 91 -13.316 -3.387 3.755 1.00 0.56 H new ATOM 1452 N ARG A 92 -11.944 -4.977 5.931 1.00 0.55 N ATOM 1453 CA ARG A 92 -12.082 -5.376 7.343 1.00 0.60 C ATOM 1454 C ARG A 92 -10.720 -5.702 7.970 1.00 1.13 C ATOM 1455 O ARG A 92 -10.443 -5.300 9.098 1.00 1.43 O ATOM 1456 CB ARG A 92 -13.029 -6.579 7.494 1.00 0.72 C ATOM 1457 CG ARG A 92 -14.383 -6.404 6.785 1.00 1.18 C ATOM 1458 CD ARG A 92 -15.629 -6.567 7.655 1.00 1.55 C ATOM 1459 NE ARG A 92 -16.856 -6.367 6.855 1.00 2.61 N ATOM 1460 CZ ARG A 92 -18.108 -6.483 7.288 1.00 3.37 C ATOM 1461 NH1 ARG A 92 -18.381 -6.776 8.543 1.00 3.41 N ATOM 1462 NH2 ARG A 92 -19.120 -6.300 6.470 1.00 4.68 N ATOM 0 H ARG A 92 -12.367 -5.631 5.273 1.00 0.55 H new ATOM 0 HA ARG A 92 -12.512 -4.526 7.873 1.00 0.60 H new ATOM 0 HB2 ARG A 92 -12.536 -7.468 7.099 1.00 0.72 H new ATOM 0 HB3 ARG A 92 -13.206 -6.757 8.555 1.00 0.72 H new ATOM 0 HG2 ARG A 92 -14.408 -5.412 6.335 1.00 1.18 H new ATOM 0 HG3 ARG A 92 -14.438 -7.125 5.970 1.00 1.18 H new ATOM 0 HD2 ARG A 92 -15.639 -7.561 8.102 1.00 1.55 H new ATOM 0 HD3 ARG A 92 -15.603 -5.849 8.475 1.00 1.55 H new ATOM 0 HE ARG A 92 -16.730 -6.115 5.875 1.00 2.61 H new ATOM 0 HH11 ARG A 92 -17.623 -6.920 9.210 1.00 3.41 H new ATOM 0 HH12 ARG A 92 -19.351 -6.859 8.848 1.00 3.41 H new ATOM 0 HH21 ARG A 92 -18.949 -6.066 5.492 1.00 4.68 H new ATOM 0 HH22 ARG A 92 -20.076 -6.392 6.813 1.00 4.68 H new ATOM 1476 N TYR A 93 -9.866 -6.427 7.246 1.00 0.59 N ATOM 1477 CA TYR A 93 -8.509 -6.768 7.709 1.00 0.65 C ATOM 1478 C TYR A 93 -7.577 -5.541 7.717 1.00 0.99 C ATOM 1479 O TYR A 93 -6.803 -5.356 8.654 1.00 1.23 O ATOM 1480 CB TYR A 93 -7.946 -7.926 6.861 1.00 0.81 C ATOM 1481 CG TYR A 93 -6.944 -8.877 7.516 1.00 1.23 C ATOM 1482 CD1 TYR A 93 -6.354 -8.625 8.778 1.00 2.35 C ATOM 1483 CD2 TYR A 93 -6.638 -10.082 6.854 1.00 1.91 C ATOM 1484 CE1 TYR A 93 -5.505 -9.574 9.378 1.00 2.61 C ATOM 1485 CE2 TYR A 93 -5.784 -11.034 7.441 1.00 2.27 C ATOM 1486 CZ TYR A 93 -5.228 -10.790 8.716 1.00 2.11 C ATOM 1487 OH TYR A 93 -4.443 -11.727 9.311 1.00 2.69 O ATOM 0 H TYR A 93 -10.090 -6.797 6.322 1.00 0.59 H new ATOM 0 HA TYR A 93 -8.568 -7.102 8.745 1.00 0.65 H new ATOM 0 HB2 TYR A 93 -8.788 -8.521 6.508 1.00 0.81 H new ATOM 0 HB3 TYR A 93 -7.470 -7.494 5.981 1.00 0.81 H new ATOM 0 HD1 TYR A 93 -6.558 -7.694 9.286 1.00 2.35 H new ATOM 0 HD2 TYR A 93 -7.065 -10.278 5.882 1.00 1.91 H new ATOM 0 HE1 TYR A 93 -5.066 -9.372 10.344 1.00 2.61 H new ATOM 0 HE2 TYR A 93 -5.554 -11.950 6.917 1.00 2.27 H new ATOM 0 HH TYR A 93 -4.355 -12.503 8.720 1.00 2.69 H new ATOM 1497 N ALA A 94 -7.713 -4.651 6.735 1.00 0.57 N ATOM 1498 CA ALA A 94 -7.093 -3.323 6.735 1.00 0.64 C ATOM 1499 C ALA A 94 -7.507 -2.485 7.969 1.00 0.82 C ATOM 1500 O ALA A 94 -6.657 -2.016 8.727 1.00 0.88 O ATOM 1501 CB ALA A 94 -7.488 -2.693 5.392 1.00 0.79 C ATOM 0 H ALA A 94 -8.268 -4.835 5.899 1.00 0.57 H new ATOM 0 HA ALA A 94 -6.008 -3.375 6.824 1.00 0.64 H new ATOM 0 HB1 ALA A 94 -7.059 -1.694 5.319 1.00 0.79 H new ATOM 0 HB2 ALA A 94 -7.112 -3.310 4.576 1.00 0.79 H new ATOM 0 HB3 ALA A 94 -8.574 -2.627 5.326 1.00 0.79 H new ATOM 1507 N LYS A 95 -8.813 -2.376 8.235 1.00 0.60 N ATOM 1508 CA LYS A 95 -9.378 -1.660 9.395 1.00 0.65 C ATOM 1509 C LYS A 95 -8.937 -2.219 10.754 1.00 0.88 C ATOM 1510 O LYS A 95 -8.847 -1.451 11.711 1.00 1.09 O ATOM 1511 CB LYS A 95 -10.921 -1.664 9.367 1.00 0.83 C ATOM 1512 CG LYS A 95 -11.563 -0.325 8.995 1.00 1.25 C ATOM 1513 CD LYS A 95 -11.563 -0.058 7.496 1.00 1.68 C ATOM 1514 CE LYS A 95 -12.445 1.163 7.219 1.00 1.23 C ATOM 1515 NZ LYS A 95 -12.654 1.327 5.770 1.00 1.59 N ATOM 0 H LYS A 95 -9.528 -2.792 7.638 1.00 0.60 H new ATOM 0 HA LYS A 95 -8.986 -0.647 9.298 1.00 0.65 H new ATOM 0 HB2 LYS A 95 -11.255 -2.420 8.656 1.00 0.83 H new ATOM 0 HB3 LYS A 95 -11.287 -1.965 10.349 1.00 0.83 H new ATOM 0 HG2 LYS A 95 -12.590 -0.307 9.361 1.00 1.25 H new ATOM 0 HG3 LYS A 95 -11.030 0.480 9.501 1.00 1.25 H new ATOM 0 HD2 LYS A 95 -10.547 0.121 7.143 1.00 1.68 H new ATOM 0 HD3 LYS A 95 -11.939 -0.927 6.957 1.00 1.68 H new ATOM 0 HE2 LYS A 95 -13.406 1.047 7.721 1.00 1.23 H new ATOM 0 HE3 LYS A 95 -11.977 2.058 7.629 1.00 1.23 H new ATOM 0 HZ1 LYS A 95 -12.980 2.295 5.574 1.00 1.59 H new ATOM 0 HZ2 LYS A 95 -11.759 1.154 5.268 1.00 1.59 H new ATOM 0 HZ3 LYS A 95 -13.370 0.648 5.444 1.00 1.59 H new ATOM 1529 N ALA A 96 -8.669 -3.523 10.865 1.00 0.66 N ATOM 1530 CA ALA A 96 -8.255 -4.178 12.114 1.00 0.75 C ATOM 1531 C ALA A 96 -6.976 -3.566 12.718 1.00 1.02 C ATOM 1532 O ALA A 96 -6.741 -3.660 13.921 1.00 1.20 O ATOM 1533 CB ALA A 96 -8.094 -5.680 11.842 1.00 0.88 C ATOM 0 H ALA A 96 -8.734 -4.167 10.076 1.00 0.66 H new ATOM 0 HA ALA A 96 -9.028 -4.017 12.866 1.00 0.75 H new ATOM 0 HB1 ALA A 96 -7.787 -6.185 12.758 1.00 0.88 H new ATOM 0 HB2 ALA A 96 -9.044 -6.092 11.502 1.00 0.88 H new ATOM 0 HB3 ALA A 96 -7.337 -5.831 11.073 1.00 0.88 H new ATOM 1539 N PHE A 97 -6.177 -2.883 11.890 1.00 0.95 N ATOM 1540 CA PHE A 97 -5.045 -2.083 12.347 1.00 1.11 C ATOM 1541 C PHE A 97 -5.449 -0.708 12.885 1.00 2.17 C ATOM 1542 O PHE A 97 -4.877 -0.239 13.867 1.00 2.53 O ATOM 1543 CB PHE A 97 -4.070 -1.963 11.172 1.00 1.32 C ATOM 1544 CG PHE A 97 -3.482 -3.317 10.873 1.00 1.39 C ATOM 1545 CD1 PHE A 97 -2.582 -3.885 11.791 1.00 1.78 C ATOM 1546 CD2 PHE A 97 -3.996 -4.084 9.814 1.00 2.68 C ATOM 1547 CE1 PHE A 97 -2.238 -5.241 11.679 1.00 1.74 C ATOM 1548 CE2 PHE A 97 -3.644 -5.438 9.700 1.00 2.68 C ATOM 1549 CZ PHE A 97 -2.781 -6.016 10.645 1.00 1.75 C ATOM 0 H PHE A 97 -6.302 -2.873 10.878 1.00 0.95 H new ATOM 0 HA PHE A 97 -4.576 -2.582 13.195 1.00 1.11 H new ATOM 0 HB2 PHE A 97 -4.587 -1.576 10.294 1.00 1.32 H new ATOM 0 HB3 PHE A 97 -3.277 -1.255 11.413 1.00 1.32 H new ATOM 0 HD1 PHE A 97 -2.157 -3.281 12.579 1.00 1.78 H new ATOM 0 HD2 PHE A 97 -4.659 -3.634 9.090 1.00 2.68 H new ATOM 0 HE1 PHE A 97 -1.556 -5.687 12.388 1.00 1.74 H new ATOM 0 HE2 PHE A 97 -4.036 -6.033 8.888 1.00 2.68 H new ATOM 0 HZ PHE A 97 -2.534 -7.065 10.575 1.00 1.75 H new ATOM 1559 N HIS A 98 -6.406 -0.044 12.237 1.00 1.11 N ATOM 1560 CA HIS A 98 -6.702 1.380 12.393 1.00 1.16 C ATOM 1561 C HIS A 98 -7.916 1.761 11.511 1.00 1.39 C ATOM 1562 O HIS A 98 -7.974 1.280 10.381 1.00 1.47 O ATOM 1563 CB HIS A 98 -5.441 2.171 11.978 1.00 1.26 C ATOM 1564 CG HIS A 98 -5.544 3.654 12.180 1.00 1.98 C ATOM 1565 ND1 HIS A 98 -5.645 4.298 13.381 1.00 2.43 N flip ATOM 1566 CD2 HIS A 98 -5.557 4.618 11.194 1.00 2.76 C flip ATOM 1567 CE1 HIS A 98 -5.796 5.657 13.127 1.00 3.26 C flip ATOM 1568 NE2 HIS A 98 -5.710 5.809 11.795 1.00 3.51 N flip ATOM 0 H HIS A 98 -7.020 -0.501 11.563 1.00 1.11 H new ATOM 0 HA HIS A 98 -6.958 1.616 13.426 1.00 1.16 H new ATOM 0 HB2 HIS A 98 -4.589 1.798 12.547 1.00 1.26 H new ATOM 0 HB3 HIS A 98 -5.233 1.974 10.926 1.00 1.26 H new ATOM 0 HD2 HIS A 98 -5.462 4.446 10.132 1.00 2.76 H new ATOM 0 HE1 HIS A 98 -5.952 6.437 13.857 1.00 3.26 H new ATOM 0 HE2 HIS A 98 -5.755 6.704 11.308 1.00 3.51 H new ATOM 1577 N PRO A 99 -8.859 2.626 11.948 1.00 1.21 N ATOM 1578 CA PRO A 99 -10.063 2.943 11.172 1.00 1.34 C ATOM 1579 C PRO A 99 -9.807 3.703 9.861 1.00 1.63 C ATOM 1580 O PRO A 99 -10.558 3.521 8.905 1.00 1.66 O ATOM 1581 CB PRO A 99 -10.973 3.736 12.118 1.00 1.63 C ATOM 1582 CG PRO A 99 -10.013 4.311 13.158 1.00 1.67 C ATOM 1583 CD PRO A 99 -8.965 3.209 13.277 1.00 1.40 C ATOM 0 HA PRO A 99 -10.522 2.015 10.831 1.00 1.34 H new ATOM 0 HB2 PRO A 99 -11.508 4.525 11.589 1.00 1.63 H new ATOM 0 HB3 PRO A 99 -11.724 3.095 12.579 1.00 1.63 H new ATOM 0 HG2 PRO A 99 -9.576 5.254 12.830 1.00 1.67 H new ATOM 0 HG3 PRO A 99 -10.511 4.503 14.108 1.00 1.67 H new ATOM 0 HD2 PRO A 99 -8.007 3.612 13.606 1.00 1.40 H new ATOM 0 HD3 PRO A 99 -9.264 2.461 14.011 1.00 1.40 H new ATOM 1591 N SER A 100 -8.758 4.533 9.781 1.00 1.55 N ATOM 1592 CA SER A 100 -8.421 5.344 8.590 1.00 1.76 C ATOM 1593 C SER A 100 -7.686 4.559 7.474 1.00 1.54 C ATOM 1594 O SER A 100 -6.785 5.076 6.805 1.00 1.45 O ATOM 1595 CB SER A 100 -7.676 6.619 9.019 1.00 2.30 C ATOM 1596 OG SER A 100 -7.963 7.674 8.123 1.00 3.33 O ATOM 0 H SER A 100 -8.105 4.666 10.553 1.00 1.55 H new ATOM 0 HA SER A 100 -9.362 5.634 8.122 1.00 1.76 H new ATOM 0 HB2 SER A 100 -7.972 6.900 10.030 1.00 2.30 H new ATOM 0 HB3 SER A 100 -6.602 6.432 9.041 1.00 2.30 H new ATOM 0 HG SER A 100 -7.485 8.482 8.405 1.00 3.33 H new ATOM 1602 N PHE A 101 -8.065 3.287 7.291 1.00 1.42 N ATOM 1603 CA PHE A 101 -7.698 2.457 6.145 1.00 1.30 C ATOM 1604 C PHE A 101 -8.834 2.410 5.104 1.00 2.26 C ATOM 1605 O PHE A 101 -10.016 2.343 5.452 1.00 2.73 O ATOM 1606 CB PHE A 101 -7.407 1.023 6.612 1.00 1.51 C ATOM 1607 CG PHE A 101 -5.967 0.707 6.963 1.00 1.60 C ATOM 1608 CD1 PHE A 101 -5.445 1.085 8.210 1.00 2.46 C ATOM 1609 CD2 PHE A 101 -5.171 -0.051 6.082 1.00 2.85 C ATOM 1610 CE1 PHE A 101 -4.155 0.665 8.596 1.00 2.38 C ATOM 1611 CE2 PHE A 101 -3.903 -0.497 6.479 1.00 3.16 C ATOM 1612 CZ PHE A 101 -3.394 -0.144 7.738 1.00 2.26 C ATOM 0 H PHE A 101 -8.655 2.795 7.962 1.00 1.42 H new ATOM 0 HA PHE A 101 -6.812 2.897 5.687 1.00 1.30 H new ATOM 0 HB2 PHE A 101 -8.025 0.817 7.486 1.00 1.51 H new ATOM 0 HB3 PHE A 101 -7.726 0.337 5.827 1.00 1.51 H new ATOM 0 HD1 PHE A 101 -6.033 1.699 8.876 1.00 2.46 H new ATOM 0 HD2 PHE A 101 -5.540 -0.290 5.095 1.00 2.85 H new ATOM 0 HE1 PHE A 101 -3.753 0.966 9.552 1.00 2.38 H new ATOM 0 HE2 PHE A 101 -3.316 -1.114 5.814 1.00 3.16 H new ATOM 0 HZ PHE A 101 -2.420 -0.494 8.046 1.00 2.26 H new ATOM 1622 N LEU A 102 -8.452 2.345 3.824 1.00 1.21 N ATOM 1623 CA LEU A 102 -9.302 1.848 2.738 1.00 1.12 C ATOM 1624 C LEU A 102 -8.762 0.495 2.259 1.00 1.00 C ATOM 1625 O LEU A 102 -7.578 0.399 1.931 1.00 1.18 O ATOM 1626 CB LEU A 102 -9.304 2.842 1.555 1.00 1.23 C ATOM 1627 CG LEU A 102 -10.158 4.118 1.686 1.00 1.53 C ATOM 1628 CD1 LEU A 102 -11.626 3.797 2.016 1.00 1.93 C ATOM 1629 CD2 LEU A 102 -9.594 5.135 2.689 1.00 2.46 C ATOM 0 H LEU A 102 -7.528 2.641 3.509 1.00 1.21 H new ATOM 0 HA LEU A 102 -10.322 1.738 3.107 1.00 1.12 H new ATOM 0 HB2 LEU A 102 -8.273 3.147 1.373 1.00 1.23 H new ATOM 0 HB3 LEU A 102 -9.639 2.305 0.668 1.00 1.23 H new ATOM 0 HG LEU A 102 -10.117 4.588 0.703 1.00 1.53 H new ATOM 0 HD11 LEU A 102 -12.192 4.725 2.099 1.00 1.93 H new ATOM 0 HD12 LEU A 102 -12.051 3.183 1.222 1.00 1.93 H new ATOM 0 HD13 LEU A 102 -11.677 3.255 2.961 1.00 1.93 H new ATOM 0 HD21 LEU A 102 -10.247 6.007 2.729 1.00 2.46 H new ATOM 0 HD22 LEU A 102 -9.538 4.679 3.677 1.00 2.46 H new ATOM 0 HD23 LEU A 102 -8.597 5.442 2.374 1.00 2.46 H new ATOM 1641 N GLY A 103 -9.630 -0.513 2.157 1.00 0.70 N ATOM 1642 CA GLY A 103 -9.359 -1.766 1.449 1.00 0.56 C ATOM 1643 C GLY A 103 -9.980 -1.747 0.058 1.00 0.66 C ATOM 1644 O GLY A 103 -11.169 -1.470 -0.107 1.00 0.85 O ATOM 0 H GLY A 103 -10.561 -0.481 2.573 1.00 0.70 H new ATOM 0 HA2 GLY A 103 -8.283 -1.918 1.370 1.00 0.56 H new ATOM 0 HA3 GLY A 103 -9.759 -2.605 2.019 1.00 0.56 H new ATOM 1648 N LEU A 104 -9.157 -2.052 -0.945 1.00 0.43 N ATOM 1649 CA LEU A 104 -9.519 -2.073 -2.355 1.00 0.52 C ATOM 1650 C LEU A 104 -9.232 -3.457 -2.945 1.00 1.11 C ATOM 1651 O LEU A 104 -8.106 -3.941 -2.916 1.00 1.35 O ATOM 1652 CB LEU A 104 -8.724 -0.983 -3.106 1.00 0.64 C ATOM 1653 CG LEU A 104 -8.824 0.450 -2.543 1.00 0.70 C ATOM 1654 CD1 LEU A 104 -7.925 1.385 -3.365 1.00 1.00 C ATOM 1655 CD2 LEU A 104 -10.260 0.996 -2.567 1.00 1.15 C ATOM 0 H LEU A 104 -8.181 -2.301 -0.787 1.00 0.43 H new ATOM 0 HA LEU A 104 -10.584 -1.868 -2.464 1.00 0.52 H new ATOM 0 HB2 LEU A 104 -7.673 -1.273 -3.117 1.00 0.64 H new ATOM 0 HB3 LEU A 104 -9.061 -0.967 -4.142 1.00 0.64 H new ATOM 0 HG LEU A 104 -8.501 0.410 -1.503 1.00 0.70 H new ATOM 0 HD11 LEU A 104 -7.995 2.398 -2.969 1.00 1.00 H new ATOM 0 HD12 LEU A 104 -6.892 1.042 -3.305 1.00 1.00 H new ATOM 0 HD13 LEU A 104 -8.249 1.380 -4.406 1.00 1.00 H new ATOM 0 HD21 LEU A 104 -10.272 2.007 -2.160 1.00 1.15 H new ATOM 0 HD22 LEU A 104 -10.625 1.014 -3.594 1.00 1.15 H new ATOM 0 HD23 LEU A 104 -10.903 0.355 -1.964 1.00 1.15 H new ATOM 1667 N SER A 105 -10.244 -4.088 -3.518 1.00 0.64 N ATOM 1668 CA SER A 105 -10.058 -5.098 -4.558 1.00 0.75 C ATOM 1669 C SER A 105 -11.223 -4.937 -5.524 1.00 0.92 C ATOM 1670 O SER A 105 -12.375 -4.919 -5.095 1.00 1.33 O ATOM 1671 CB SER A 105 -9.990 -6.523 -3.998 1.00 1.00 C ATOM 1672 OG SER A 105 -9.335 -7.375 -4.923 1.00 1.44 O ATOM 0 H SER A 105 -11.220 -3.917 -3.278 1.00 0.64 H new ATOM 0 HA SER A 105 -9.101 -4.948 -5.057 1.00 0.75 H new ATOM 0 HB2 SER A 105 -9.456 -6.524 -3.048 1.00 1.00 H new ATOM 0 HB3 SER A 105 -10.996 -6.893 -3.799 1.00 1.00 H new ATOM 0 HG SER A 105 -8.365 -7.270 -4.834 1.00 1.44 H new ATOM 1678 N GLY A 106 -10.934 -4.740 -6.806 1.00 1.00 N ATOM 1679 CA GLY A 106 -11.943 -4.536 -7.839 1.00 1.09 C ATOM 1680 C GLY A 106 -11.737 -5.474 -9.005 1.00 1.11 C ATOM 1681 O GLY A 106 -10.915 -6.380 -8.948 1.00 1.36 O ATOM 0 H GLY A 106 -9.978 -4.717 -7.162 1.00 1.00 H new ATOM 0 HA2 GLY A 106 -12.935 -4.692 -7.416 1.00 1.09 H new ATOM 0 HA3 GLY A 106 -11.904 -3.504 -8.189 1.00 1.09 H new ATOM 1685 N SER A 107 -12.443 -5.227 -10.094 1.00 0.80 N ATOM 1686 CA SER A 107 -12.236 -5.912 -11.366 1.00 0.89 C ATOM 1687 C SER A 107 -10.737 -6.130 -11.701 1.00 1.04 C ATOM 1688 O SER A 107 -9.905 -5.233 -11.490 1.00 1.06 O ATOM 1689 CB SER A 107 -12.949 -5.129 -12.476 1.00 1.03 C ATOM 1690 OG SER A 107 -12.430 -3.818 -12.611 1.00 1.87 O ATOM 0 H SER A 107 -13.190 -4.533 -10.124 1.00 0.80 H new ATOM 0 HA SER A 107 -12.664 -6.911 -11.285 1.00 0.89 H new ATOM 0 HB2 SER A 107 -12.843 -5.661 -13.422 1.00 1.03 H new ATOM 0 HB3 SER A 107 -14.015 -5.077 -12.257 1.00 1.03 H new ATOM 0 HG SER A 107 -12.872 -3.224 -11.969 1.00 1.87 H new ATOM 1696 N PRO A 108 -10.353 -7.310 -12.233 1.00 0.98 N ATOM 1697 CA PRO A 108 -8.946 -7.659 -12.432 1.00 1.14 C ATOM 1698 C PRO A 108 -8.239 -6.718 -13.411 1.00 1.33 C ATOM 1699 O PRO A 108 -7.032 -6.530 -13.293 1.00 1.22 O ATOM 1700 CB PRO A 108 -8.938 -9.118 -12.902 1.00 1.37 C ATOM 1701 CG PRO A 108 -10.328 -9.321 -13.499 1.00 1.34 C ATOM 1702 CD PRO A 108 -11.206 -8.421 -12.632 1.00 1.13 C ATOM 0 HA PRO A 108 -8.381 -7.546 -11.507 1.00 1.14 H new ATOM 0 HB2 PRO A 108 -8.156 -9.295 -13.641 1.00 1.37 H new ATOM 0 HB3 PRO A 108 -8.755 -9.803 -12.074 1.00 1.37 H new ATOM 0 HG2 PRO A 108 -10.363 -9.030 -14.549 1.00 1.34 H new ATOM 0 HG3 PRO A 108 -10.642 -10.363 -13.447 1.00 1.34 H new ATOM 0 HD2 PRO A 108 -12.075 -8.068 -13.187 1.00 1.13 H new ATOM 0 HD3 PRO A 108 -11.581 -8.960 -11.762 1.00 1.13 H new ATOM 1710 N GLU A 109 -8.964 -6.076 -14.334 1.00 1.01 N ATOM 1711 CA GLU A 109 -8.415 -5.016 -15.183 1.00 1.06 C ATOM 1712 C GLU A 109 -8.161 -3.706 -14.412 1.00 1.13 C ATOM 1713 O GLU A 109 -7.126 -3.075 -14.610 1.00 1.35 O ATOM 1714 CB GLU A 109 -9.305 -4.807 -16.418 1.00 1.30 C ATOM 1715 CG GLU A 109 -9.503 -6.132 -17.173 1.00 1.94 C ATOM 1716 CD GLU A 109 -9.724 -5.921 -18.666 1.00 3.11 C ATOM 1717 OE1 GLU A 109 -8.698 -5.690 -19.349 1.00 4.64 O ATOM 1718 OE2 GLU A 109 -10.881 -6.041 -19.112 1.00 3.56 O ATOM 0 H GLU A 109 -9.948 -6.278 -14.512 1.00 1.01 H new ATOM 0 HA GLU A 109 -7.433 -5.342 -15.526 1.00 1.06 H new ATOM 0 HB2 GLU A 109 -10.272 -4.408 -16.113 1.00 1.30 H new ATOM 0 HB3 GLU A 109 -8.851 -4.070 -17.080 1.00 1.30 H new ATOM 0 HG2 GLU A 109 -8.629 -6.766 -17.024 1.00 1.94 H new ATOM 0 HG3 GLU A 109 -10.358 -6.662 -16.753 1.00 1.94 H new ATOM 1725 N ALA A 110 -9.016 -3.315 -13.457 1.00 0.84 N ATOM 1726 CA ALA A 110 -8.726 -2.182 -12.568 1.00 0.79 C ATOM 1727 C ALA A 110 -7.520 -2.479 -11.654 1.00 0.97 C ATOM 1728 O ALA A 110 -6.564 -1.699 -11.608 1.00 1.04 O ATOM 1729 CB ALA A 110 -10.002 -1.839 -11.787 1.00 0.80 C ATOM 0 H ALA A 110 -9.913 -3.766 -13.281 1.00 0.84 H new ATOM 0 HA ALA A 110 -8.435 -1.309 -13.153 1.00 0.79 H new ATOM 0 HB1 ALA A 110 -9.806 -0.999 -11.121 1.00 0.80 H new ATOM 0 HB2 ALA A 110 -10.795 -1.571 -12.485 1.00 0.80 H new ATOM 0 HB3 ALA A 110 -10.312 -2.703 -11.200 1.00 0.80 H new ATOM 1735 N VAL A 111 -7.495 -3.658 -11.024 1.00 0.74 N ATOM 1736 CA VAL A 111 -6.326 -4.144 -10.245 1.00 0.74 C ATOM 1737 C VAL A 111 -5.039 -4.166 -11.102 1.00 1.12 C ATOM 1738 O VAL A 111 -3.959 -3.834 -10.605 1.00 1.00 O ATOM 1739 CB VAL A 111 -6.598 -5.529 -9.605 1.00 0.75 C ATOM 1740 CG1 VAL A 111 -5.360 -6.155 -8.937 1.00 1.23 C ATOM 1741 CG2 VAL A 111 -7.713 -5.436 -8.549 1.00 1.08 C ATOM 0 H VAL A 111 -8.279 -4.310 -11.033 1.00 0.74 H new ATOM 0 HA VAL A 111 -6.168 -3.435 -9.433 1.00 0.74 H new ATOM 0 HB VAL A 111 -6.897 -6.171 -10.434 1.00 0.75 H new ATOM 0 HG11 VAL A 111 -5.626 -7.122 -8.511 1.00 1.23 H new ATOM 0 HG12 VAL A 111 -4.574 -6.290 -9.681 1.00 1.23 H new ATOM 0 HG13 VAL A 111 -5.002 -5.497 -8.146 1.00 1.23 H new ATOM 0 HG21 VAL A 111 -7.885 -6.421 -8.114 1.00 1.08 H new ATOM 0 HG22 VAL A 111 -7.414 -4.740 -7.765 1.00 1.08 H new ATOM 0 HG23 VAL A 111 -8.630 -5.081 -9.019 1.00 1.08 H new ATOM 1751 N ARG A 112 -5.149 -4.496 -12.402 1.00 0.80 N ATOM 1752 CA ARG A 112 -4.043 -4.422 -13.363 1.00 0.82 C ATOM 1753 C ARG A 112 -3.473 -3.004 -13.473 1.00 1.19 C ATOM 1754 O ARG A 112 -2.263 -2.850 -13.309 1.00 1.36 O ATOM 1755 CB ARG A 112 -4.469 -4.949 -14.730 1.00 0.86 C ATOM 1756 CG ARG A 112 -3.262 -5.098 -15.662 1.00 1.62 C ATOM 1757 CD ARG A 112 -3.720 -5.789 -16.938 1.00 2.01 C ATOM 1758 NE ARG A 112 -4.596 -4.893 -17.706 1.00 3.11 N ATOM 1759 CZ ARG A 112 -5.719 -5.160 -18.351 1.00 4.39 C ATOM 1760 NH1 ARG A 112 -6.166 -6.373 -18.593 1.00 4.80 N ATOM 1761 NH2 ARG A 112 -6.454 -4.160 -18.758 1.00 5.87 N ATOM 0 H ARG A 112 -6.021 -4.825 -12.816 1.00 0.80 H new ATOM 0 HA ARG A 112 -3.245 -5.061 -12.986 1.00 0.82 H new ATOM 0 HB2 ARG A 112 -4.964 -5.913 -14.614 1.00 0.86 H new ATOM 0 HB3 ARG A 112 -5.195 -4.269 -15.176 1.00 0.86 H new ATOM 0 HG2 ARG A 112 -2.838 -4.121 -15.892 1.00 1.62 H new ATOM 0 HG3 ARG A 112 -2.478 -5.679 -15.177 1.00 1.62 H new ATOM 0 HD2 ARG A 112 -2.856 -6.070 -17.540 1.00 2.01 H new ATOM 0 HD3 ARG A 112 -4.251 -6.709 -16.693 1.00 2.01 H new ATOM 0 HE ARG A 112 -4.292 -3.920 -17.748 1.00 3.11 H new ATOM 0 HH11 ARG A 112 -5.636 -7.185 -18.276 1.00 4.80 H new ATOM 0 HH12 ARG A 112 -7.043 -6.502 -19.098 1.00 4.80 H new ATOM 0 HH21 ARG A 112 -6.157 -3.201 -18.576 1.00 5.87 H new ATOM 0 HH22 ARG A 112 -7.325 -4.338 -19.258 1.00 5.87 H new ATOM 1775 N GLU A 113 -4.288 -1.975 -13.718 1.00 0.92 N ATOM 1776 CA GLU A 113 -3.737 -0.642 -14.020 1.00 1.06 C ATOM 1777 C GLU A 113 -3.029 0.028 -12.829 1.00 1.26 C ATOM 1778 O GLU A 113 -2.029 0.727 -13.016 1.00 1.31 O ATOM 1779 CB GLU A 113 -4.756 0.280 -14.677 1.00 1.36 C ATOM 1780 CG GLU A 113 -5.378 -0.326 -15.943 1.00 1.60 C ATOM 1781 CD GLU A 113 -4.464 -1.138 -16.868 1.00 2.86 C ATOM 1782 OE1 GLU A 113 -3.294 -0.749 -17.074 1.00 3.65 O ATOM 1783 OE2 GLU A 113 -4.926 -2.189 -17.369 1.00 3.88 O ATOM 0 H GLU A 113 -5.307 -2.030 -13.715 1.00 0.92 H new ATOM 0 HA GLU A 113 -2.954 -0.825 -14.756 1.00 1.06 H new ATOM 0 HB2 GLU A 113 -5.547 0.508 -13.962 1.00 1.36 H new ATOM 0 HB3 GLU A 113 -4.274 1.224 -14.931 1.00 1.36 H new ATOM 0 HG2 GLU A 113 -6.202 -0.970 -15.636 1.00 1.60 H new ATOM 0 HG3 GLU A 113 -5.809 0.487 -16.527 1.00 1.60 H new ATOM 1790 N ALA A 114 -3.464 -0.260 -11.594 1.00 0.84 N ATOM 1791 CA ALA A 114 -2.694 0.086 -10.398 1.00 0.83 C ATOM 1792 C ALA A 114 -1.315 -0.587 -10.403 1.00 1.10 C ATOM 1793 O ALA A 114 -0.295 0.083 -10.255 1.00 1.19 O ATOM 1794 CB ALA A 114 -3.516 -0.295 -9.161 1.00 0.87 C ATOM 0 H ALA A 114 -4.347 -0.733 -11.401 1.00 0.84 H new ATOM 0 HA ALA A 114 -2.504 1.159 -10.382 1.00 0.83 H new ATOM 0 HB1 ALA A 114 -2.956 -0.043 -8.260 1.00 0.87 H new ATOM 0 HB2 ALA A 114 -4.458 0.253 -9.167 1.00 0.87 H new ATOM 0 HB3 ALA A 114 -3.719 -1.366 -9.175 1.00 0.87 H new ATOM 1800 N ALA A 115 -1.269 -1.901 -10.620 1.00 0.84 N ATOM 1801 CA ALA A 115 -0.024 -2.658 -10.605 1.00 0.88 C ATOM 1802 C ALA A 115 0.968 -2.181 -11.681 1.00 1.09 C ATOM 1803 O ALA A 115 2.142 -1.952 -11.377 1.00 1.15 O ATOM 1804 CB ALA A 115 -0.368 -4.139 -10.767 1.00 0.94 C ATOM 0 H ALA A 115 -2.095 -2.468 -10.811 1.00 0.84 H new ATOM 0 HA ALA A 115 0.483 -2.496 -9.654 1.00 0.88 H new ATOM 0 HB1 ALA A 115 0.549 -4.728 -10.759 1.00 0.94 H new ATOM 0 HB2 ALA A 115 -1.010 -4.455 -9.945 1.00 0.94 H new ATOM 0 HB3 ALA A 115 -0.888 -4.290 -11.713 1.00 0.94 H new ATOM 1810 N GLN A 116 0.496 -1.978 -12.919 1.00 0.91 N ATOM 1811 CA GLN A 116 1.337 -1.502 -14.023 1.00 0.98 C ATOM 1812 C GLN A 116 1.973 -0.145 -13.707 1.00 1.43 C ATOM 1813 O GLN A 116 3.138 0.069 -14.041 1.00 1.52 O ATOM 1814 CB GLN A 116 0.542 -1.418 -15.343 1.00 1.11 C ATOM 1815 CG GLN A 116 0.007 -2.778 -15.822 1.00 1.25 C ATOM 1816 CD GLN A 116 -0.166 -2.867 -17.337 1.00 1.87 C ATOM 1817 OE1 GLN A 116 0.586 -3.557 -18.007 1.00 2.40 O ATOM 1818 NE2 GLN A 116 -1.121 -2.197 -17.946 1.00 2.98 N ATOM 0 H GLN A 116 -0.476 -2.139 -13.181 1.00 0.91 H new ATOM 0 HA GLN A 116 2.136 -2.233 -14.146 1.00 0.98 H new ATOM 0 HB2 GLN A 116 -0.295 -0.733 -15.211 1.00 1.11 H new ATOM 0 HB3 GLN A 116 1.182 -0.994 -16.117 1.00 1.11 H new ATOM 0 HG2 GLN A 116 0.689 -3.563 -15.496 1.00 1.25 H new ATOM 0 HG3 GLN A 116 -0.953 -2.971 -15.343 1.00 1.25 H new ATOM 0 HE21 GLN A 116 -1.760 -1.615 -17.405 1.00 2.98 H new ATOM 0 HE22 GLN A 116 -1.222 -2.260 -18.959 1.00 2.98 H new ATOM 1827 N THR A 117 1.249 0.740 -13.009 1.00 1.08 N ATOM 1828 CA THR A 117 1.707 2.113 -12.744 1.00 1.16 C ATOM 1829 C THR A 117 2.881 2.148 -11.767 1.00 1.41 C ATOM 1830 O THR A 117 3.824 2.916 -11.968 1.00 1.40 O ATOM 1831 CB THR A 117 0.527 2.972 -12.273 1.00 1.26 C ATOM 1832 OG1 THR A 117 -0.418 3.005 -13.316 1.00 1.39 O ATOM 1833 CG2 THR A 117 0.947 4.415 -11.990 1.00 1.44 C ATOM 0 H THR A 117 0.333 0.527 -12.613 1.00 1.08 H new ATOM 0 HA THR A 117 2.086 2.538 -13.674 1.00 1.16 H new ATOM 0 HB THR A 117 0.130 2.539 -11.355 1.00 1.26 H new ATOM 0 HG1 THR A 117 -1.004 2.222 -13.251 1.00 1.39 H new ATOM 0 HG21 THR A 117 0.081 4.988 -11.659 1.00 1.44 H new ATOM 0 HG22 THR A 117 1.709 4.426 -11.210 1.00 1.44 H new ATOM 0 HG23 THR A 117 1.351 4.861 -12.899 1.00 1.44 H new ATOM 1841 N PHE A 118 2.833 1.339 -10.709 1.00 1.14 N ATOM 1842 CA PHE A 118 3.939 1.153 -9.763 1.00 1.18 C ATOM 1843 C PHE A 118 5.092 0.258 -10.263 1.00 2.05 C ATOM 1844 O PHE A 118 6.174 0.288 -9.675 1.00 2.41 O ATOM 1845 CB PHE A 118 3.345 0.730 -8.414 1.00 1.19 C ATOM 1846 CG PHE A 118 2.583 1.880 -7.783 1.00 1.24 C ATOM 1847 CD1 PHE A 118 3.291 2.956 -7.218 1.00 2.62 C ATOM 1848 CD2 PHE A 118 1.182 1.949 -7.876 1.00 1.58 C ATOM 1849 CE1 PHE A 118 2.604 4.097 -6.767 1.00 2.50 C ATOM 1850 CE2 PHE A 118 0.499 3.096 -7.444 1.00 1.61 C ATOM 1851 CZ PHE A 118 1.208 4.172 -6.890 1.00 1.30 C ATOM 0 H PHE A 118 2.010 0.783 -10.479 1.00 1.14 H new ATOM 0 HA PHE A 118 4.454 2.107 -9.646 1.00 1.18 H new ATOM 0 HB2 PHE A 118 2.679 -0.121 -8.555 1.00 1.19 H new ATOM 0 HB3 PHE A 118 4.142 0.404 -7.746 1.00 1.19 H new ATOM 0 HD1 PHE A 118 4.366 2.906 -7.130 1.00 2.62 H new ATOM 0 HD2 PHE A 118 0.629 1.115 -8.282 1.00 1.58 H new ATOM 0 HE1 PHE A 118 3.151 4.917 -6.325 1.00 2.50 H new ATOM 0 HE2 PHE A 118 -0.575 3.151 -7.538 1.00 1.61 H new ATOM 0 HZ PHE A 118 0.681 5.055 -6.559 1.00 1.30 H new ATOM 1861 N GLY A 119 4.877 -0.550 -11.310 1.00 1.11 N ATOM 1862 CA GLY A 119 5.829 -1.585 -11.753 1.00 1.09 C ATOM 1863 C GLY A 119 5.688 -2.904 -10.986 1.00 1.13 C ATOM 1864 O GLY A 119 6.655 -3.649 -10.852 1.00 1.22 O ATOM 0 H GLY A 119 4.032 -0.506 -11.880 1.00 1.11 H new ATOM 0 HA2 GLY A 119 5.682 -1.773 -12.816 1.00 1.09 H new ATOM 0 HA3 GLY A 119 6.845 -1.210 -11.633 1.00 1.09 H new ATOM 1868 N VAL A 120 4.490 -3.177 -10.474 1.00 0.97 N ATOM 1869 CA VAL A 120 4.111 -4.379 -9.716 1.00 0.92 C ATOM 1870 C VAL A 120 3.665 -5.475 -10.689 1.00 1.06 C ATOM 1871 O VAL A 120 2.912 -5.210 -11.629 1.00 1.21 O ATOM 1872 CB VAL A 120 2.981 -4.010 -8.727 1.00 0.95 C ATOM 1873 CG1 VAL A 120 2.185 -5.174 -8.128 1.00 0.94 C ATOM 1874 CG2 VAL A 120 3.535 -3.156 -7.583 1.00 1.49 C ATOM 0 H VAL A 120 3.708 -2.531 -10.580 1.00 0.97 H new ATOM 0 HA VAL A 120 4.961 -4.758 -9.148 1.00 0.92 H new ATOM 0 HB VAL A 120 2.270 -3.463 -9.346 1.00 0.95 H new ATOM 0 HG11 VAL A 120 1.424 -4.784 -7.452 1.00 0.94 H new ATOM 0 HG12 VAL A 120 1.705 -5.737 -8.929 1.00 0.94 H new ATOM 0 HG13 VAL A 120 2.859 -5.830 -7.576 1.00 0.94 H new ATOM 0 HG21 VAL A 120 2.729 -2.903 -6.894 1.00 1.49 H new ATOM 0 HG22 VAL A 120 4.305 -3.715 -7.051 1.00 1.49 H new ATOM 0 HG23 VAL A 120 3.966 -2.241 -7.988 1.00 1.49 H new ATOM 1884 N PHE A 121 4.113 -6.709 -10.436 1.00 1.00 N ATOM 1885 CA PHE A 121 3.825 -7.887 -11.260 1.00 1.04 C ATOM 1886 C PHE A 121 3.398 -9.106 -10.422 1.00 1.62 C ATOM 1887 O PHE A 121 3.767 -9.252 -9.253 1.00 1.62 O ATOM 1888 CB PHE A 121 5.041 -8.197 -12.149 1.00 1.10 C ATOM 1889 CG PHE A 121 6.342 -8.435 -11.403 1.00 1.17 C ATOM 1890 CD1 PHE A 121 7.199 -7.353 -11.114 1.00 2.07 C ATOM 1891 CD2 PHE A 121 6.696 -9.734 -10.987 1.00 2.17 C ATOM 1892 CE1 PHE A 121 8.396 -7.570 -10.411 1.00 2.06 C ATOM 1893 CE2 PHE A 121 7.894 -9.950 -10.285 1.00 2.09 C ATOM 1894 CZ PHE A 121 8.745 -8.867 -9.995 1.00 1.34 C ATOM 0 H PHE A 121 4.702 -6.922 -9.631 1.00 1.00 H new ATOM 0 HA PHE A 121 2.970 -7.658 -11.896 1.00 1.04 H new ATOM 0 HB2 PHE A 121 4.817 -9.080 -12.748 1.00 1.10 H new ATOM 0 HB3 PHE A 121 5.185 -7.369 -12.843 1.00 1.10 H new ATOM 0 HD1 PHE A 121 6.935 -6.356 -11.434 1.00 2.07 H new ATOM 0 HD2 PHE A 121 6.044 -10.566 -11.208 1.00 2.17 H new ATOM 0 HE1 PHE A 121 9.049 -6.739 -10.190 1.00 2.06 H new ATOM 0 HE2 PHE A 121 8.162 -10.947 -9.968 1.00 2.09 H new ATOM 0 HZ PHE A 121 9.665 -9.032 -9.454 1.00 1.34 H new ATOM 1904 N TYR A 122 2.585 -9.969 -11.037 1.00 1.20 N ATOM 1905 CA TYR A 122 1.911 -11.109 -10.407 1.00 1.11 C ATOM 1906 C TYR A 122 1.806 -12.344 -11.315 1.00 1.59 C ATOM 1907 O TYR A 122 1.847 -12.229 -12.542 1.00 1.97 O ATOM 1908 CB TYR A 122 0.522 -10.649 -9.934 1.00 1.07 C ATOM 1909 CG TYR A 122 -0.374 -9.949 -10.951 1.00 1.42 C ATOM 1910 CD1 TYR A 122 -0.947 -10.653 -12.030 1.00 2.35 C ATOM 1911 CD2 TYR A 122 -0.665 -8.576 -10.794 1.00 2.36 C ATOM 1912 CE1 TYR A 122 -1.784 -9.992 -12.949 1.00 2.64 C ATOM 1913 CE2 TYR A 122 -1.522 -7.913 -11.694 1.00 2.69 C ATOM 1914 CZ TYR A 122 -2.080 -8.620 -12.782 1.00 2.23 C ATOM 1915 OH TYR A 122 -2.911 -7.992 -13.663 1.00 2.70 O ATOM 0 H TYR A 122 2.369 -9.889 -12.031 1.00 1.20 H new ATOM 0 HA TYR A 122 2.518 -11.432 -9.562 1.00 1.11 H new ATOM 0 HB2 TYR A 122 -0.012 -11.523 -9.561 1.00 1.07 H new ATOM 0 HB3 TYR A 122 0.661 -9.975 -9.089 1.00 1.07 H new ATOM 0 HD1 TYR A 122 -0.742 -11.706 -12.152 1.00 2.35 H new ATOM 0 HD2 TYR A 122 -0.225 -8.028 -9.974 1.00 2.36 H new ATOM 0 HE1 TYR A 122 -2.201 -10.535 -13.784 1.00 2.64 H new ATOM 0 HE2 TYR A 122 -1.752 -6.867 -11.553 1.00 2.69 H new ATOM 0 HH TYR A 122 -3.387 -7.268 -13.205 1.00 2.70 H new ATOM 1925 N GLN A 123 1.595 -13.527 -10.728 1.00 1.11 N ATOM 1926 CA GLN A 123 1.369 -14.774 -11.462 1.00 1.29 C ATOM 1927 C GLN A 123 0.290 -15.597 -10.742 1.00 1.17 C ATOM 1928 O GLN A 123 0.431 -15.877 -9.558 1.00 1.46 O ATOM 1929 CB GLN A 123 2.667 -15.601 -11.551 1.00 1.75 C ATOM 1930 CG GLN A 123 3.902 -14.854 -12.082 1.00 2.68 C ATOM 1931 CD GLN A 123 5.128 -15.765 -12.073 1.00 3.54 C ATOM 1932 OE1 GLN A 123 5.445 -16.422 -13.051 1.00 3.93 O ATOM 1933 NE2 GLN A 123 5.839 -15.867 -10.973 1.00 4.39 N ATOM 0 H GLN A 123 1.576 -13.645 -9.715 1.00 1.11 H new ATOM 0 HA GLN A 123 1.043 -14.529 -12.473 1.00 1.29 H new ATOM 0 HB2 GLN A 123 2.898 -15.987 -10.558 1.00 1.75 H new ATOM 0 HB3 GLN A 123 2.483 -16.463 -12.193 1.00 1.75 H new ATOM 0 HG2 GLN A 123 3.712 -14.501 -13.096 1.00 2.68 H new ATOM 0 HG3 GLN A 123 4.092 -13.973 -11.469 1.00 2.68 H new ATOM 0 HE21 GLN A 123 5.584 -15.323 -10.149 1.00 4.39 H new ATOM 0 HE22 GLN A 123 6.646 -16.490 -10.943 1.00 4.39 H new ATOM 1942 N LYS A 124 -0.742 -16.088 -11.440 1.00 0.99 N ATOM 1943 CA LYS A 124 -1.706 -17.020 -10.820 1.00 1.12 C ATOM 1944 C LYS A 124 -1.264 -18.458 -11.138 1.00 1.32 C ATOM 1945 O LYS A 124 -1.090 -18.827 -12.300 1.00 1.61 O ATOM 1946 CB LYS A 124 -3.157 -16.718 -11.253 1.00 1.43 C ATOM 1947 CG LYS A 124 -3.558 -15.244 -11.034 1.00 2.52 C ATOM 1948 CD LYS A 124 -5.076 -14.988 -11.088 1.00 2.80 C ATOM 1949 CE LYS A 124 -5.745 -15.221 -9.724 1.00 3.06 C ATOM 1950 NZ LYS A 124 -7.150 -14.752 -9.710 1.00 3.51 N ATOM 0 H LYS A 124 -0.933 -15.864 -12.416 1.00 0.99 H new ATOM 0 HA LYS A 124 -1.706 -16.890 -9.738 1.00 1.12 H new ATOM 0 HB2 LYS A 124 -3.275 -16.968 -12.307 1.00 1.43 H new ATOM 0 HB3 LYS A 124 -3.838 -17.361 -10.695 1.00 1.43 H new ATOM 0 HG2 LYS A 124 -3.180 -14.916 -10.066 1.00 2.52 H new ATOM 0 HG3 LYS A 124 -3.070 -14.630 -11.791 1.00 2.52 H new ATOM 0 HD2 LYS A 124 -5.260 -13.964 -11.413 1.00 2.80 H new ATOM 0 HD3 LYS A 124 -5.529 -15.644 -11.831 1.00 2.80 H new ATOM 0 HE2 LYS A 124 -5.715 -16.283 -9.482 1.00 3.06 H new ATOM 0 HE3 LYS A 124 -5.181 -14.701 -8.950 1.00 3.06 H new ATOM 0 HZ1 LYS A 124 -7.431 -14.526 -8.734 1.00 3.51 H new ATOM 0 HZ2 LYS A 124 -7.238 -13.901 -10.301 1.00 3.51 H new ATOM 0 HZ3 LYS A 124 -7.769 -15.499 -10.084 1.00 3.51 H new ATOM 2120 N VAL A 135 -1.603 -17.761 -5.795 1.00 1.61 N ATOM 2121 CA VAL A 135 -1.176 -16.550 -6.509 1.00 1.29 C ATOM 2122 C VAL A 135 0.160 -16.088 -5.933 1.00 1.43 C ATOM 2123 O VAL A 135 0.327 -16.047 -4.716 1.00 1.57 O ATOM 2124 CB VAL A 135 -2.230 -15.417 -6.398 1.00 1.47 C ATOM 2125 CG1 VAL A 135 -1.795 -14.125 -7.111 1.00 2.58 C ATOM 2126 CG2 VAL A 135 -3.572 -15.870 -6.999 1.00 2.09 C ATOM 0 HA VAL A 135 -1.069 -16.786 -7.568 1.00 1.29 H new ATOM 0 HB VAL A 135 -2.333 -15.204 -5.334 1.00 1.47 H new ATOM 0 HG11 VAL A 135 -2.572 -13.369 -6.999 1.00 2.58 H new ATOM 0 HG12 VAL A 135 -0.867 -13.760 -6.670 1.00 2.58 H new ATOM 0 HG13 VAL A 135 -1.637 -14.329 -8.170 1.00 2.58 H new ATOM 0 HG21 VAL A 135 -4.300 -15.063 -6.913 1.00 2.09 H new ATOM 0 HG22 VAL A 135 -3.433 -16.123 -8.050 1.00 2.09 H new ATOM 0 HG23 VAL A 135 -3.935 -16.745 -6.460 1.00 2.09 H new ATOM 2136 N ASP A 136 1.080 -15.744 -6.826 1.00 1.02 N ATOM 2137 CA ASP A 136 2.345 -15.069 -6.555 1.00 1.10 C ATOM 2138 C ASP A 136 2.217 -13.566 -6.857 1.00 1.15 C ATOM 2139 O ASP A 136 1.597 -13.149 -7.838 1.00 1.29 O ATOM 2140 CB ASP A 136 3.436 -15.725 -7.410 1.00 1.42 C ATOM 2141 CG ASP A 136 4.714 -14.891 -7.468 1.00 2.89 C ATOM 2142 OD1 ASP A 136 5.225 -14.547 -6.379 1.00 4.37 O ATOM 2143 OD2 ASP A 136 5.146 -14.592 -8.605 1.00 3.50 O ATOM 0 H ASP A 136 0.956 -15.940 -7.819 1.00 1.02 H new ATOM 0 HA ASP A 136 2.612 -15.166 -5.503 1.00 1.10 H new ATOM 0 HB2 ASP A 136 3.667 -16.710 -7.005 1.00 1.42 H new ATOM 0 HB3 ASP A 136 3.059 -15.876 -8.421 1.00 1.42 H new ATOM 2148 N HIS A 137 2.795 -12.742 -5.985 1.00 0.84 N ATOM 2149 CA HIS A 137 2.673 -11.305 -5.979 1.00 0.85 C ATOM 2150 C HIS A 137 3.953 -10.544 -5.623 1.00 1.08 C ATOM 2151 O HIS A 137 4.621 -10.873 -4.641 1.00 1.23 O ATOM 2152 CB HIS A 137 1.593 -10.925 -4.954 1.00 1.19 C ATOM 2153 CG HIS A 137 0.962 -9.665 -5.419 1.00 2.25 C ATOM 2154 ND1 HIS A 137 0.311 -9.667 -6.606 1.00 3.56 N flip ATOM 2155 CD2 HIS A 137 1.326 -8.371 -5.143 1.00 4.06 C flip ATOM 2156 CE1 HIS A 137 0.276 -8.354 -7.085 1.00 5.61 C flip ATOM 2157 NE2 HIS A 137 0.894 -7.609 -6.158 1.00 6.12 N flip ATOM 0 H HIS A 137 3.388 -13.086 -5.230 1.00 0.84 H new ATOM 0 HA HIS A 137 2.425 -11.017 -7.001 1.00 0.85 H new ATOM 0 HB2 HIS A 137 0.850 -11.718 -4.868 1.00 1.19 H new ATOM 0 HB3 HIS A 137 2.032 -10.792 -3.965 1.00 1.19 H new ATOM 0 HD1 HIS A 137 -0.085 -10.484 -7.070 1.00 3.56 H new ATOM 0 HD2 HIS A 137 1.862 -8.030 -4.270 1.00 4.06 H new ATOM 0 HE1 HIS A 137 -0.160 -8.011 -8.012 1.00 5.61 H new ATOM 2166 N THR A 138 4.180 -9.416 -6.310 1.00 0.68 N ATOM 2167 CA THR A 138 5.120 -8.367 -5.885 1.00 0.73 C ATOM 2168 C THR A 138 4.580 -7.682 -4.628 1.00 1.13 C ATOM 2169 O THR A 138 3.830 -6.706 -4.683 1.00 1.93 O ATOM 2170 CB THR A 138 5.392 -7.390 -7.032 1.00 0.74 C ATOM 2171 OG1 THR A 138 6.007 -8.105 -8.067 1.00 1.41 O ATOM 2172 CG2 THR A 138 6.352 -6.259 -6.666 1.00 1.08 C ATOM 0 H THR A 138 3.709 -9.203 -7.189 1.00 0.68 H new ATOM 0 HA THR A 138 6.083 -8.808 -5.629 1.00 0.73 H new ATOM 0 HB THR A 138 4.432 -6.949 -7.301 1.00 0.74 H new ATOM 0 HG1 THR A 138 5.325 -8.577 -8.589 1.00 1.41 H new ATOM 0 HG21 THR A 138 6.495 -5.609 -7.529 1.00 1.08 H new ATOM 0 HG22 THR A 138 5.935 -5.681 -5.841 1.00 1.08 H new ATOM 0 HG23 THR A 138 7.312 -6.679 -6.366 1.00 1.08 H new ATOM 2180 N ALA A 139 4.928 -8.234 -3.467 1.00 0.65 N ATOM 2181 CA ALA A 139 4.496 -7.794 -2.131 1.00 0.67 C ATOM 2182 C ALA A 139 5.215 -6.513 -1.635 1.00 0.84 C ATOM 2183 O ALA A 139 5.739 -6.456 -0.518 1.00 1.39 O ATOM 2184 CB ALA A 139 4.657 -8.991 -1.180 1.00 0.89 C ATOM 0 H ALA A 139 5.550 -9.041 -3.425 1.00 0.65 H new ATOM 0 HA ALA A 139 3.450 -7.489 -2.168 1.00 0.67 H new ATOM 0 HB1 ALA A 139 4.345 -8.703 -0.176 1.00 0.89 H new ATOM 0 HB2 ALA A 139 4.038 -9.818 -1.528 1.00 0.89 H new ATOM 0 HB3 ALA A 139 5.701 -9.302 -1.160 1.00 0.89 H new ATOM 2190 N THR A 140 5.267 -5.478 -2.478 1.00 0.61 N ATOM 2191 CA THR A 140 6.082 -4.271 -2.258 1.00 0.66 C ATOM 2192 C THR A 140 5.239 -3.148 -1.649 1.00 0.86 C ATOM 2193 O THR A 140 4.050 -3.011 -1.945 1.00 1.06 O ATOM 2194 CB THR A 140 6.750 -3.869 -3.576 1.00 0.73 C ATOM 2195 OG1 THR A 140 7.574 -4.941 -3.965 1.00 1.04 O ATOM 2196 CG2 THR A 140 7.655 -2.638 -3.476 1.00 0.86 C ATOM 0 H THR A 140 4.736 -5.451 -3.349 1.00 0.61 H new ATOM 0 HA THR A 140 6.871 -4.480 -1.535 1.00 0.66 H new ATOM 0 HB THR A 140 5.950 -3.631 -4.277 1.00 0.73 H new ATOM 0 HG1 THR A 140 8.020 -4.721 -4.810 1.00 1.04 H new ATOM 0 HG21 THR A 140 8.087 -2.424 -4.454 1.00 0.86 H new ATOM 0 HG22 THR A 140 7.069 -1.782 -3.143 1.00 0.86 H new ATOM 0 HG23 THR A 140 8.454 -2.831 -2.761 1.00 0.86 H new ATOM 2204 N THR A 141 5.871 -2.339 -0.789 1.00 0.83 N ATOM 2205 CA THR A 141 5.294 -1.140 -0.159 1.00 0.91 C ATOM 2206 C THR A 141 5.767 0.104 -0.905 1.00 1.12 C ATOM 2207 O THR A 141 6.953 0.249 -1.205 1.00 1.19 O ATOM 2208 CB THR A 141 5.689 -1.051 1.319 1.00 1.00 C ATOM 2209 OG1 THR A 141 5.379 -2.256 1.968 1.00 1.28 O ATOM 2210 CG2 THR A 141 4.983 0.087 2.063 1.00 1.34 C ATOM 0 H THR A 141 6.835 -2.506 -0.501 1.00 0.83 H new ATOM 0 HA THR A 141 4.207 -1.207 -0.213 1.00 0.91 H new ATOM 0 HB THR A 141 6.761 -0.853 1.338 1.00 1.00 H new ATOM 0 HG1 THR A 141 4.535 -2.609 1.617 1.00 1.28 H new ATOM 0 HG21 THR A 141 5.305 0.096 3.104 1.00 1.34 H new ATOM 0 HG22 THR A 141 5.236 1.039 1.596 1.00 1.34 H new ATOM 0 HG23 THR A 141 3.904 -0.063 2.019 1.00 1.34 H new ATOM 2218 N PHE A 142 4.830 1.009 -1.183 1.00 0.96 N ATOM 2219 CA PHE A 142 5.023 2.202 -2.007 1.00 0.97 C ATOM 2220 C PHE A 142 4.582 3.450 -1.235 1.00 2.03 C ATOM 2221 O PHE A 142 3.436 3.537 -0.788 1.00 2.29 O ATOM 2222 CB PHE A 142 4.193 2.045 -3.289 1.00 0.98 C ATOM 2223 CG PHE A 142 4.666 0.920 -4.188 1.00 1.00 C ATOM 2224 CD1 PHE A 142 5.653 1.155 -5.162 1.00 2.06 C ATOM 2225 CD2 PHE A 142 4.128 -0.369 -4.033 1.00 1.89 C ATOM 2226 CE1 PHE A 142 6.105 0.100 -5.974 1.00 1.97 C ATOM 2227 CE2 PHE A 142 4.572 -1.419 -4.851 1.00 1.77 C ATOM 2228 CZ PHE A 142 5.568 -1.187 -5.817 1.00 1.07 C ATOM 0 H PHE A 142 3.878 0.928 -0.826 1.00 0.96 H new ATOM 0 HA PHE A 142 6.077 2.315 -2.262 1.00 0.97 H new ATOM 0 HB2 PHE A 142 3.152 1.868 -3.018 1.00 0.98 H new ATOM 0 HB3 PHE A 142 4.222 2.981 -3.847 1.00 0.98 H new ATOM 0 HD1 PHE A 142 6.064 2.146 -5.286 1.00 2.06 H new ATOM 0 HD2 PHE A 142 3.372 -0.552 -3.284 1.00 1.89 H new ATOM 0 HE1 PHE A 142 6.866 0.280 -6.719 1.00 1.97 H new ATOM 0 HE2 PHE A 142 4.149 -2.406 -4.739 1.00 1.77 H new ATOM 0 HZ PHE A 142 5.919 -1.999 -6.437 1.00 1.07 H new ATOM 2238 N VAL A 143 5.478 4.433 -1.104 1.00 1.10 N ATOM 2239 CA VAL A 143 5.154 5.724 -0.463 1.00 1.05 C ATOM 2240 C VAL A 143 4.889 6.763 -1.540 1.00 1.09 C ATOM 2241 O VAL A 143 5.732 6.995 -2.405 1.00 1.22 O ATOM 2242 CB VAL A 143 6.248 6.251 0.488 1.00 1.05 C ATOM 2243 CG1 VAL A 143 5.750 7.481 1.273 1.00 1.10 C ATOM 2244 CG2 VAL A 143 6.611 5.164 1.497 1.00 1.31 C ATOM 0 H VAL A 143 6.441 4.364 -1.434 1.00 1.10 H new ATOM 0 HA VAL A 143 4.272 5.547 0.152 1.00 1.05 H new ATOM 0 HB VAL A 143 7.113 6.529 -0.114 1.00 1.05 H new ATOM 0 HG11 VAL A 143 6.540 7.833 1.936 1.00 1.10 H new ATOM 0 HG12 VAL A 143 5.482 8.274 0.575 1.00 1.10 H new ATOM 0 HG13 VAL A 143 4.876 7.206 1.863 1.00 1.10 H new ATOM 0 HG21 VAL A 143 7.384 5.535 2.170 1.00 1.31 H new ATOM 0 HG22 VAL A 143 5.727 4.894 2.074 1.00 1.31 H new ATOM 0 HG23 VAL A 143 6.981 4.286 0.968 1.00 1.31 H new ATOM 2254 N VAL A 144 3.721 7.385 -1.456 1.00 0.98 N ATOM 2255 CA VAL A 144 3.232 8.409 -2.395 1.00 0.94 C ATOM 2256 C VAL A 144 2.903 9.689 -1.622 1.00 1.24 C ATOM 2257 O VAL A 144 2.133 9.617 -0.666 1.00 1.16 O ATOM 2258 CB VAL A 144 1.968 7.900 -3.139 1.00 1.06 C ATOM 2259 CG1 VAL A 144 1.294 8.966 -4.025 1.00 1.49 C ATOM 2260 CG2 VAL A 144 2.299 6.687 -4.026 1.00 1.80 C ATOM 0 H VAL A 144 3.057 7.189 -0.707 1.00 0.98 H new ATOM 0 HA VAL A 144 4.007 8.617 -3.133 1.00 0.94 H new ATOM 0 HB VAL A 144 1.270 7.628 -2.347 1.00 1.06 H new ATOM 0 HG11 VAL A 144 0.419 8.535 -4.511 1.00 1.49 H new ATOM 0 HG12 VAL A 144 0.987 9.811 -3.408 1.00 1.49 H new ATOM 0 HG13 VAL A 144 1.999 9.308 -4.783 1.00 1.49 H new ATOM 0 HG21 VAL A 144 1.396 6.351 -4.535 1.00 1.80 H new ATOM 0 HG22 VAL A 144 3.048 6.970 -4.765 1.00 1.80 H new ATOM 0 HG23 VAL A 144 2.688 5.879 -3.407 1.00 1.80 H new ATOM 2270 N LYS A 145 3.425 10.848 -2.049 1.00 1.03 N ATOM 2271 CA LYS A 145 2.905 12.171 -1.653 1.00 1.05 C ATOM 2272 C LYS A 145 2.587 13.027 -2.893 1.00 1.12 C ATOM 2273 O LYS A 145 3.261 12.872 -3.902 1.00 1.31 O ATOM 2274 CB LYS A 145 3.940 12.885 -0.761 1.00 1.20 C ATOM 2275 CG LYS A 145 3.353 14.112 -0.038 1.00 1.48 C ATOM 2276 CD LYS A 145 4.438 14.898 0.699 1.00 1.60 C ATOM 2277 CE LYS A 145 3.827 16.051 1.511 1.00 1.87 C ATOM 2278 NZ LYS A 145 4.885 16.893 2.115 1.00 2.10 N ATOM 0 H LYS A 145 4.223 10.897 -2.682 1.00 1.03 H new ATOM 0 HA LYS A 145 1.980 12.032 -1.093 1.00 1.05 H new ATOM 0 HB2 LYS A 145 4.324 12.182 -0.022 1.00 1.20 H new ATOM 0 HB3 LYS A 145 4.786 13.199 -1.372 1.00 1.20 H new ATOM 0 HG2 LYS A 145 2.860 14.761 -0.762 1.00 1.48 H new ATOM 0 HG3 LYS A 145 2.591 13.788 0.671 1.00 1.48 H new ATOM 0 HD2 LYS A 145 4.987 14.231 1.364 1.00 1.60 H new ATOM 0 HD3 LYS A 145 5.156 15.294 -0.019 1.00 1.60 H new ATOM 0 HE2 LYS A 145 3.196 16.661 0.865 1.00 1.87 H new ATOM 0 HE3 LYS A 145 3.186 15.649 2.295 1.00 1.87 H new ATOM 0 HZ1 LYS A 145 4.486 17.436 2.907 1.00 2.10 H new ATOM 0 HZ2 LYS A 145 5.655 16.287 2.463 1.00 2.10 H new ATOM 0 HZ3 LYS A 145 5.258 17.549 1.399 1.00 2.10 H new ATOM 2292 N GLU A 146 1.630 13.958 -2.844 1.00 1.11 N ATOM 2293 CA GLU A 146 1.558 15.073 -3.822 1.00 1.28 C ATOM 2294 C GLU A 146 1.159 14.596 -5.245 1.00 1.42 C ATOM 2295 O GLU A 146 1.513 15.206 -6.260 1.00 1.84 O ATOM 2296 CB GLU A 146 2.911 15.824 -3.808 1.00 1.65 C ATOM 2297 CG GLU A 146 2.846 17.311 -4.149 1.00 1.51 C ATOM 2298 CD GLU A 146 4.276 17.840 -4.181 1.00 1.94 C ATOM 2299 OE1 GLU A 146 4.911 17.706 -5.259 1.00 2.00 O ATOM 2300 OE2 GLU A 146 4.749 18.284 -3.118 1.00 3.25 O ATOM 0 H GLU A 146 0.890 13.971 -2.142 1.00 1.11 H new ATOM 0 HA GLU A 146 0.763 15.757 -3.525 1.00 1.28 H new ATOM 0 HB2 GLU A 146 3.355 15.716 -2.819 1.00 1.65 H new ATOM 0 HB3 GLU A 146 3.583 15.337 -4.514 1.00 1.65 H new ATOM 0 HG2 GLU A 146 2.360 17.462 -5.113 1.00 1.51 H new ATOM 0 HG3 GLU A 146 2.255 17.848 -3.407 1.00 1.51 H new ATOM 2307 N GLY A 147 0.487 13.442 -5.328 1.00 1.09 N ATOM 2308 CA GLY A 147 0.157 12.739 -6.572 1.00 1.12 C ATOM 2309 C GLY A 147 1.323 11.956 -7.186 1.00 1.11 C ATOM 2310 O GLY A 147 1.222 11.558 -8.347 1.00 1.19 O ATOM 0 H GLY A 147 0.146 12.954 -4.500 1.00 1.09 H new ATOM 0 HA2 GLY A 147 -0.665 12.050 -6.378 1.00 1.12 H new ATOM 0 HA3 GLY A 147 -0.201 13.466 -7.302 1.00 1.12 H new ATOM 2314 N ARG A 148 2.433 11.749 -6.462 1.00 1.06 N ATOM 2315 CA ARG A 148 3.678 11.142 -6.972 1.00 1.10 C ATOM 2316 C ARG A 148 4.389 10.198 -5.996 1.00 1.43 C ATOM 2317 O ARG A 148 4.416 10.389 -4.783 1.00 1.62 O ATOM 2318 CB ARG A 148 4.660 12.216 -7.468 1.00 1.23 C ATOM 2319 CG ARG A 148 4.897 13.339 -6.469 1.00 1.75 C ATOM 2320 CD ARG A 148 5.892 14.373 -7.000 1.00 1.84 C ATOM 2321 NE ARG A 148 5.282 15.708 -7.112 1.00 1.93 N ATOM 2322 CZ ARG A 148 4.259 16.045 -7.882 1.00 2.39 C ATOM 2323 NH1 ARG A 148 3.915 15.338 -8.939 1.00 3.50 N ATOM 2324 NH2 ARG A 148 3.563 17.105 -7.558 1.00 2.92 N ATOM 0 H ARG A 148 2.494 12.006 -5.477 1.00 1.06 H new ATOM 0 HA ARG A 148 3.351 10.519 -7.804 1.00 1.10 H new ATOM 0 HB2 ARG A 148 5.614 11.743 -7.702 1.00 1.23 H new ATOM 0 HB3 ARG A 148 4.279 12.642 -8.396 1.00 1.23 H new ATOM 0 HG2 ARG A 148 3.950 13.829 -6.242 1.00 1.75 H new ATOM 0 HG3 ARG A 148 5.272 12.921 -5.535 1.00 1.75 H new ATOM 0 HD2 ARG A 148 6.755 14.422 -6.336 1.00 1.84 H new ATOM 0 HD3 ARG A 148 6.259 14.057 -7.977 1.00 1.84 H new ATOM 0 HE ARG A 148 5.688 16.448 -6.539 1.00 1.93 H new ATOM 0 HH11 ARG A 148 4.443 14.501 -9.187 1.00 3.50 H new ATOM 0 HH12 ARG A 148 3.121 15.627 -9.510 1.00 3.50 H new ATOM 0 HH21 ARG A 148 3.814 17.647 -6.731 1.00 2.92 H new ATOM 0 HH22 ARG A 148 2.769 17.389 -8.132 1.00 2.92 H new ATOM 2338 N LEU A 149 5.010 9.163 -6.557 1.00 1.07 N ATOM 2339 CA LEU A 149 5.727 8.131 -5.806 1.00 1.09 C ATOM 2340 C LEU A 149 7.048 8.715 -5.299 1.00 1.37 C ATOM 2341 O LEU A 149 7.843 9.202 -6.093 1.00 1.60 O ATOM 2342 CB LEU A 149 5.940 6.893 -6.700 1.00 1.15 C ATOM 2343 CG LEU A 149 6.646 5.731 -5.969 1.00 1.60 C ATOM 2344 CD1 LEU A 149 5.741 5.001 -4.975 1.00 2.25 C ATOM 2345 CD2 LEU A 149 7.186 4.714 -6.976 1.00 2.01 C ATOM 0 H LEU A 149 5.030 9.014 -7.566 1.00 1.07 H new ATOM 0 HA LEU A 149 5.147 7.809 -4.941 1.00 1.09 H new ATOM 0 HB2 LEU A 149 4.974 6.548 -7.069 1.00 1.15 H new ATOM 0 HB3 LEU A 149 6.530 7.178 -7.571 1.00 1.15 H new ATOM 0 HG LEU A 149 7.460 6.186 -5.405 1.00 1.60 H new ATOM 0 HD11 LEU A 149 6.300 4.197 -4.497 1.00 2.25 H new ATOM 0 HD12 LEU A 149 5.394 5.702 -4.216 1.00 2.25 H new ATOM 0 HD13 LEU A 149 4.884 4.583 -5.503 1.00 2.25 H new ATOM 0 HD21 LEU A 149 7.681 3.902 -6.443 1.00 2.01 H new ATOM 0 HD22 LEU A 149 6.362 4.312 -7.565 1.00 2.01 H new ATOM 0 HD23 LEU A 149 7.901 5.202 -7.638 1.00 2.01 H new ATOM 2357 N VAL A 150 7.277 8.667 -3.988 1.00 1.22 N ATOM 2358 CA VAL A 150 8.358 9.407 -3.313 1.00 1.34 C ATOM 2359 C VAL A 150 9.385 8.497 -2.604 1.00 1.60 C ATOM 2360 O VAL A 150 10.503 8.941 -2.320 1.00 1.79 O ATOM 2361 CB VAL A 150 7.705 10.466 -2.388 1.00 1.38 C ATOM 2362 CG1 VAL A 150 7.042 9.873 -1.140 1.00 3.52 C ATOM 2363 CG2 VAL A 150 8.636 11.609 -1.992 1.00 2.10 C ATOM 0 H VAL A 150 6.712 8.107 -3.350 1.00 1.22 H new ATOM 0 HA VAL A 150 8.969 9.916 -4.058 1.00 1.34 H new ATOM 0 HB VAL A 150 6.919 10.888 -3.015 1.00 1.38 H new ATOM 0 HG11 VAL A 150 6.608 10.675 -0.543 1.00 3.52 H new ATOM 0 HG12 VAL A 150 6.257 9.178 -1.440 1.00 3.52 H new ATOM 0 HG13 VAL A 150 7.789 9.343 -0.548 1.00 3.52 H new ATOM 0 HG21 VAL A 150 8.102 12.306 -1.345 1.00 2.10 H new ATOM 0 HG22 VAL A 150 9.499 11.208 -1.460 1.00 2.10 H new ATOM 0 HG23 VAL A 150 8.973 12.131 -2.888 1.00 2.10 H new ATOM 2373 N LEU A 151 9.046 7.212 -2.381 1.00 1.25 N ATOM 2374 CA LEU A 151 9.911 6.217 -1.733 1.00 1.17 C ATOM 2375 C LEU A 151 9.435 4.780 -2.021 1.00 1.30 C ATOM 2376 O LEU A 151 8.231 4.493 -1.967 1.00 1.52 O ATOM 2377 CB LEU A 151 9.985 6.505 -0.211 1.00 1.25 C ATOM 2378 CG LEU A 151 11.423 6.537 0.333 1.00 1.48 C ATOM 2379 CD1 LEU A 151 11.476 7.101 1.750 1.00 1.99 C ATOM 2380 CD2 LEU A 151 12.071 5.156 0.364 1.00 1.21 C ATOM 0 H LEU A 151 8.140 6.832 -2.655 1.00 1.25 H new ATOM 0 HA LEU A 151 10.915 6.299 -2.150 1.00 1.17 H new ATOM 0 HB2 LEU A 151 9.505 7.462 -0.006 1.00 1.25 H new ATOM 0 HB3 LEU A 151 9.418 5.743 0.324 1.00 1.25 H new ATOM 0 HG LEU A 151 11.973 7.180 -0.355 1.00 1.48 H new ATOM 0 HD11 LEU A 151 12.508 7.108 2.101 1.00 1.99 H new ATOM 0 HD12 LEU A 151 11.086 8.119 1.751 1.00 1.99 H new ATOM 0 HD13 LEU A 151 10.872 6.480 2.412 1.00 1.99 H new ATOM 0 HD21 LEU A 151 13.085 5.238 0.757 1.00 1.21 H new ATOM 0 HD22 LEU A 151 11.487 4.494 1.003 1.00 1.21 H new ATOM 0 HD23 LEU A 151 12.105 4.747 -0.646 1.00 1.21 H new ATOM 2392 N LEU A 152 10.381 3.878 -2.312 1.00 0.87 N ATOM 2393 CA LEU A 152 10.156 2.428 -2.392 1.00 0.88 C ATOM 2394 C LEU A 152 10.625 1.725 -1.114 1.00 1.32 C ATOM 2395 O LEU A 152 11.771 1.888 -0.690 1.00 1.37 O ATOM 2396 CB LEU A 152 10.915 1.823 -3.586 1.00 1.02 C ATOM 2397 CG LEU A 152 10.431 2.266 -4.978 1.00 0.95 C ATOM 2398 CD1 LEU A 152 11.415 1.768 -6.045 1.00 1.18 C ATOM 2399 CD2 LEU A 152 9.033 1.710 -5.262 1.00 1.10 C ATOM 0 H LEU A 152 11.348 4.142 -2.503 1.00 0.87 H new ATOM 0 HA LEU A 152 9.084 2.276 -2.519 1.00 0.88 H new ATOM 0 HB2 LEU A 152 11.970 2.079 -3.490 1.00 1.02 H new ATOM 0 HB3 LEU A 152 10.844 0.737 -3.525 1.00 1.02 H new ATOM 0 HG LEU A 152 10.383 3.355 -5.004 1.00 0.95 H new ATOM 0 HD11 LEU A 152 11.072 2.082 -7.031 1.00 1.18 H new ATOM 0 HD12 LEU A 152 12.402 2.188 -5.854 1.00 1.18 H new ATOM 0 HD13 LEU A 152 11.470 0.680 -6.009 1.00 1.18 H new ATOM 0 HD21 LEU A 152 8.707 2.033 -6.251 1.00 1.10 H new ATOM 0 HD22 LEU A 152 9.061 0.621 -5.227 1.00 1.10 H new ATOM 0 HD23 LEU A 152 8.335 2.079 -4.511 1.00 1.10 H new ATOM 2411 N TYR A 153 9.746 0.897 -0.551 1.00 0.90 N ATOM 2412 CA TYR A 153 10.029 -0.019 0.552 1.00 0.85 C ATOM 2413 C TYR A 153 9.792 -1.481 0.094 1.00 1.19 C ATOM 2414 O TYR A 153 10.141 -1.848 -1.023 1.00 2.11 O ATOM 2415 CB TYR A 153 9.210 0.419 1.793 1.00 0.87 C ATOM 2416 CG TYR A 153 9.716 1.638 2.542 1.00 1.00 C ATOM 2417 CD1 TYR A 153 11.030 1.651 3.047 1.00 1.93 C ATOM 2418 CD2 TYR A 153 8.845 2.706 2.833 1.00 1.83 C ATOM 2419 CE1 TYR A 153 11.482 2.747 3.805 1.00 1.92 C ATOM 2420 CE2 TYR A 153 9.297 3.806 3.592 1.00 2.11 C ATOM 2421 CZ TYR A 153 10.626 3.841 4.060 1.00 1.44 C ATOM 2422 OH TYR A 153 11.075 4.927 4.746 1.00 1.89 O ATOM 0 H TYR A 153 8.777 0.844 -0.865 1.00 0.90 H new ATOM 0 HA TYR A 153 11.076 0.021 0.851 1.00 0.85 H new ATOM 0 HB2 TYR A 153 8.186 0.615 1.474 1.00 0.87 H new ATOM 0 HB3 TYR A 153 9.172 -0.418 2.490 1.00 0.87 H new ATOM 0 HD1 TYR A 153 11.691 0.820 2.853 1.00 1.93 H new ATOM 0 HD2 TYR A 153 7.827 2.683 2.474 1.00 1.83 H new ATOM 0 HE1 TYR A 153 12.489 2.752 4.194 1.00 1.92 H new ATOM 0 HE2 TYR A 153 8.625 4.621 3.814 1.00 2.11 H new ATOM 0 HH TYR A 153 11.978 5.156 4.441 1.00 1.89 H new ATOM 2432 N SER A 154 9.247 -2.330 0.966 1.00 1.47 N ATOM 2433 CA SER A 154 9.221 -3.807 0.998 1.00 1.25 C ATOM 2434 C SER A 154 8.912 -4.194 2.456 1.00 1.42 C ATOM 2435 O SER A 154 9.189 -3.358 3.326 1.00 1.55 O ATOM 2436 CB SER A 154 10.562 -4.429 0.563 1.00 1.26 C ATOM 2437 OG SER A 154 10.687 -4.403 -0.844 1.00 1.78 O ATOM 0 H SER A 154 8.747 -1.957 1.773 1.00 1.47 H new ATOM 0 HA SER A 154 8.474 -4.182 0.299 1.00 1.25 H new ATOM 0 HB2 SER A 154 11.388 -3.882 1.017 1.00 1.26 H new ATOM 0 HB3 SER A 154 10.626 -5.457 0.921 1.00 1.26 H new ATOM 0 HG SER A 154 10.611 -3.479 -1.162 1.00 1.78 H new ATOM 2443 N PRO A 155 8.367 -5.388 2.760 1.00 1.13 N ATOM 2444 CA PRO A 155 8.019 -5.763 4.129 1.00 1.25 C ATOM 2445 C PRO A 155 9.252 -5.703 5.028 1.00 1.37 C ATOM 2446 O PRO A 155 9.255 -4.975 6.012 1.00 1.27 O ATOM 2447 CB PRO A 155 7.421 -7.172 4.037 1.00 1.40 C ATOM 2448 CG PRO A 155 7.948 -7.722 2.712 1.00 1.24 C ATOM 2449 CD PRO A 155 8.032 -6.466 1.849 1.00 1.15 C ATOM 0 HA PRO A 155 7.299 -5.079 4.577 1.00 1.25 H new ATOM 0 HB2 PRO A 155 7.734 -7.792 4.877 1.00 1.40 H new ATOM 0 HB3 PRO A 155 6.331 -7.143 4.050 1.00 1.40 H new ATOM 0 HG2 PRO A 155 8.920 -8.201 2.828 1.00 1.24 H new ATOM 0 HG3 PRO A 155 7.275 -8.465 2.284 1.00 1.24 H new ATOM 0 HD2 PRO A 155 8.790 -6.573 1.073 1.00 1.15 H new ATOM 0 HD3 PRO A 155 7.085 -6.273 1.345 1.00 1.15 H new ATOM 2457 N ASP A 156 10.349 -6.339 4.617 1.00 1.16 N ATOM 2458 CA ASP A 156 11.609 -6.394 5.359 1.00 1.25 C ATOM 2459 C ASP A 156 12.370 -5.050 5.433 1.00 1.28 C ATOM 2460 O ASP A 156 13.506 -4.989 5.919 1.00 1.53 O ATOM 2461 CB ASP A 156 12.464 -7.530 4.760 1.00 1.54 C ATOM 2462 CG ASP A 156 13.090 -7.214 3.396 1.00 1.51 C ATOM 2463 OD1 ASP A 156 12.466 -6.509 2.571 1.00 2.13 O ATOM 2464 OD2 ASP A 156 14.270 -7.597 3.210 1.00 2.53 O ATOM 0 H ASP A 156 10.387 -6.845 3.732 1.00 1.16 H new ATOM 0 HA ASP A 156 11.381 -6.604 6.404 1.00 1.25 H new ATOM 0 HB2 ASP A 156 13.261 -7.774 5.462 1.00 1.54 H new ATOM 0 HB3 ASP A 156 11.842 -8.420 4.661 1.00 1.54 H new ATOM 2469 N LYS A 157 11.767 -3.962 4.935 1.00 1.09 N ATOM 2470 CA LYS A 157 12.214 -2.581 5.106 1.00 0.96 C ATOM 2471 C LYS A 157 11.177 -1.713 5.843 1.00 1.27 C ATOM 2472 O LYS A 157 11.571 -0.872 6.646 1.00 1.33 O ATOM 2473 CB LYS A 157 12.572 -1.974 3.729 1.00 0.96 C ATOM 2474 CG LYS A 157 13.448 -2.873 2.837 1.00 1.40 C ATOM 2475 CD LYS A 157 14.833 -3.211 3.420 1.00 2.04 C ATOM 2476 CE LYS A 157 15.271 -4.603 2.945 1.00 2.59 C ATOM 2477 NZ LYS A 157 15.622 -5.497 4.076 1.00 3.51 N ATOM 0 H LYS A 157 10.916 -4.028 4.377 1.00 1.09 H new ATOM 0 HA LYS A 157 13.104 -2.594 5.735 1.00 0.96 H new ATOM 0 HB2 LYS A 157 11.649 -1.746 3.196 1.00 0.96 H new ATOM 0 HB3 LYS A 157 13.090 -1.028 3.888 1.00 0.96 H new ATOM 0 HG2 LYS A 157 12.913 -3.803 2.647 1.00 1.40 H new ATOM 0 HG3 LYS A 157 13.585 -2.381 1.874 1.00 1.40 H new ATOM 0 HD2 LYS A 157 15.562 -2.464 3.107 1.00 2.04 H new ATOM 0 HD3 LYS A 157 14.796 -3.183 4.509 1.00 2.04 H new ATOM 0 HE2 LYS A 157 14.468 -5.055 2.362 1.00 2.59 H new ATOM 0 HE3 LYS A 157 16.130 -4.505 2.282 1.00 2.59 H new ATOM 0 HZ1 LYS A 157 15.499 -6.488 3.786 1.00 3.51 H new ATOM 0 HZ2 LYS A 157 16.612 -5.337 4.351 1.00 3.51 H new ATOM 0 HZ3 LYS A 157 15.001 -5.294 4.885 1.00 3.51 H new ATOM 2491 N ALA A 158 9.880 -1.928 5.599 1.00 0.89 N ATOM 2492 CA ALA A 158 8.757 -1.233 6.232 1.00 0.91 C ATOM 2493 C ALA A 158 8.541 -1.675 7.687 1.00 1.15 C ATOM 2494 O ALA A 158 8.247 -0.838 8.541 1.00 1.24 O ATOM 2495 CB ALA A 158 7.506 -1.501 5.383 1.00 0.96 C ATOM 0 H ALA A 158 9.571 -2.625 4.922 1.00 0.89 H new ATOM 0 HA ALA A 158 8.972 -0.165 6.275 1.00 0.91 H new ATOM 0 HB1 ALA A 158 6.649 -0.996 5.828 1.00 0.96 H new ATOM 0 HB2 ALA A 158 7.664 -1.124 4.373 1.00 0.96 H new ATOM 0 HB3 ALA A 158 7.315 -2.573 5.345 1.00 0.96 H new ATOM 2501 N GLU A 159 8.765 -2.963 7.975 1.00 0.84 N ATOM 2502 CA GLU A 159 8.703 -3.537 9.323 1.00 0.81 C ATOM 2503 C GLU A 159 9.727 -2.916 10.293 1.00 1.12 C ATOM 2504 O GLU A 159 9.559 -2.983 11.508 1.00 1.35 O ATOM 2505 CB GLU A 159 8.769 -5.074 9.246 1.00 0.91 C ATOM 2506 CG GLU A 159 7.482 -5.585 8.578 1.00 1.42 C ATOM 2507 CD GLU A 159 7.347 -7.097 8.422 1.00 1.68 C ATOM 2508 OE1 GLU A 159 8.138 -7.841 9.041 1.00 2.30 O ATOM 2509 OE2 GLU A 159 6.391 -7.482 7.704 1.00 2.88 O ATOM 0 H GLU A 159 9.000 -3.651 7.259 1.00 0.84 H new ATOM 0 HA GLU A 159 7.739 -3.275 9.760 1.00 0.81 H new ATOM 0 HB2 GLU A 159 9.643 -5.387 8.674 1.00 0.91 H new ATOM 0 HB3 GLU A 159 8.872 -5.499 10.244 1.00 0.91 H new ATOM 0 HG2 GLU A 159 6.632 -5.225 9.157 1.00 1.42 H new ATOM 0 HG3 GLU A 159 7.409 -5.133 7.589 1.00 1.42 H new ATOM 2516 N ALA A 160 10.726 -2.187 9.780 1.00 0.74 N ATOM 2517 CA ALA A 160 11.471 -1.212 10.577 1.00 0.75 C ATOM 2518 C ALA A 160 10.642 0.080 10.773 1.00 0.98 C ATOM 2519 O ALA A 160 10.987 1.117 10.192 1.00 0.92 O ATOM 2520 CB ALA A 160 12.852 -0.970 9.939 1.00 0.80 C ATOM 0 H ALA A 160 11.036 -2.257 8.811 1.00 0.74 H new ATOM 0 HA ALA A 160 11.649 -1.604 11.578 1.00 0.75 H new ATOM 0 HB1 ALA A 160 13.405 -0.244 10.534 1.00 0.80 H new ATOM 0 HB2 ALA A 160 13.406 -1.908 9.904 1.00 0.80 H new ATOM 0 HB3 ALA A 160 12.723 -0.587 8.927 1.00 0.80 H new ATOM 2526 N THR A 161 9.582 0.028 11.606 1.00 0.76 N ATOM 2527 CA THR A 161 8.672 1.158 11.933 1.00 0.80 C ATOM 2528 C THR A 161 9.403 2.491 11.988 1.00 0.94 C ATOM 2529 O THR A 161 9.122 3.393 11.204 1.00 1.18 O ATOM 2530 CB THR A 161 7.968 0.922 13.283 1.00 0.90 C ATOM 2531 OG1 THR A 161 7.125 -0.191 13.185 1.00 1.02 O ATOM 2532 CG2 THR A 161 7.085 2.089 13.728 1.00 1.03 C ATOM 0 H THR A 161 9.322 -0.831 12.090 1.00 0.76 H new ATOM 0 HA THR A 161 7.936 1.201 11.130 1.00 0.80 H new ATOM 0 HB THR A 161 8.769 0.788 14.010 1.00 0.90 H new ATOM 0 HG1 THR A 161 6.263 0.084 12.808 1.00 1.02 H new ATOM 0 HG21 THR A 161 6.623 1.851 14.686 1.00 1.03 H new ATOM 0 HG22 THR A 161 7.694 2.987 13.833 1.00 1.03 H new ATOM 0 HG23 THR A 161 6.308 2.262 12.983 1.00 1.03 H new ATOM 2540 N ASP A 162 10.365 2.614 12.893 1.00 0.87 N ATOM 2541 CA ASP A 162 11.044 3.874 13.187 1.00 0.94 C ATOM 2542 C ASP A 162 11.942 4.385 12.043 1.00 1.22 C ATOM 2543 O ASP A 162 12.240 5.575 11.991 1.00 1.30 O ATOM 2544 CB ASP A 162 11.750 3.759 14.545 1.00 1.10 C ATOM 2545 CG ASP A 162 10.716 3.850 15.678 1.00 1.90 C ATOM 2546 OD1 ASP A 162 9.852 2.950 15.796 1.00 2.63 O ATOM 2547 OD2 ASP A 162 10.700 4.871 16.402 1.00 2.93 O ATOM 0 H ASP A 162 10.702 1.831 13.453 1.00 0.87 H new ATOM 0 HA ASP A 162 10.293 4.661 13.263 1.00 0.94 H new ATOM 0 HB2 ASP A 162 12.288 2.813 14.607 1.00 1.10 H new ATOM 0 HB3 ASP A 162 12.489 4.554 14.650 1.00 1.10 H new ATOM 2552 N ARG A 163 12.308 3.533 11.074 1.00 0.93 N ATOM 2553 CA ARG A 163 12.825 4.001 9.782 1.00 0.96 C ATOM 2554 C ARG A 163 11.746 4.717 8.966 1.00 1.16 C ATOM 2555 O ARG A 163 11.981 5.826 8.488 1.00 1.47 O ATOM 2556 CB ARG A 163 13.380 2.836 8.954 1.00 1.00 C ATOM 2557 CG ARG A 163 14.557 2.097 9.598 1.00 1.15 C ATOM 2558 CD ARG A 163 15.729 3.038 9.859 1.00 1.40 C ATOM 2559 NE ARG A 163 16.960 2.296 10.177 1.00 1.53 N ATOM 2560 CZ ARG A 163 17.221 1.686 11.325 1.00 2.52 C ATOM 2561 NH1 ARG A 163 16.397 1.756 12.352 1.00 3.63 N ATOM 2562 NH2 ARG A 163 18.326 0.981 11.456 1.00 3.20 N ATOM 0 H ARG A 163 12.255 2.518 11.161 1.00 0.93 H new ATOM 0 HA ARG A 163 13.627 4.705 10.005 1.00 0.96 H new ATOM 0 HB2 ARG A 163 12.576 2.122 8.772 1.00 1.00 H new ATOM 0 HB3 ARG A 163 13.695 3.216 7.982 1.00 1.00 H new ATOM 0 HG2 ARG A 163 14.235 1.645 10.536 1.00 1.15 H new ATOM 0 HG3 ARG A 163 14.879 1.284 8.947 1.00 1.15 H new ATOM 0 HD2 ARG A 163 15.897 3.663 8.982 1.00 1.40 H new ATOM 0 HD3 ARG A 163 15.483 3.706 10.684 1.00 1.40 H new ATOM 0 HE ARG A 163 17.675 2.247 9.451 1.00 1.53 H new ATOM 0 HH11 ARG A 163 15.531 2.290 12.276 1.00 3.63 H new ATOM 0 HH12 ARG A 163 16.625 1.276 13.223 1.00 3.63 H new ATOM 0 HH21 ARG A 163 18.978 0.905 10.675 1.00 3.20 H new ATOM 0 HH22 ARG A 163 18.529 0.511 12.338 1.00 3.20 H new ATOM 2576 N VAL A 164 10.560 4.107 8.863 1.00 0.93 N ATOM 2577 CA VAL A 164 9.403 4.694 8.166 1.00 0.96 C ATOM 2578 C VAL A 164 8.955 5.984 8.868 1.00 1.17 C ATOM 2579 O VAL A 164 8.680 6.969 8.193 1.00 1.35 O ATOM 2580 CB VAL A 164 8.226 3.696 8.027 1.00 0.89 C ATOM 2581 CG1 VAL A 164 7.074 4.280 7.192 1.00 0.91 C ATOM 2582 CG2 VAL A 164 8.682 2.382 7.371 1.00 1.04 C ATOM 0 H VAL A 164 10.372 3.187 9.262 1.00 0.93 H new ATOM 0 HA VAL A 164 9.723 4.938 7.153 1.00 0.96 H new ATOM 0 HB VAL A 164 7.873 3.501 9.040 1.00 0.89 H new ATOM 0 HG11 VAL A 164 6.270 3.548 7.119 1.00 0.91 H new ATOM 0 HG12 VAL A 164 6.699 5.184 7.671 1.00 0.91 H new ATOM 0 HG13 VAL A 164 7.435 4.522 6.193 1.00 0.91 H new ATOM 0 HG21 VAL A 164 7.833 1.703 7.288 1.00 1.04 H new ATOM 0 HG22 VAL A 164 9.079 2.590 6.377 1.00 1.04 H new ATOM 0 HG23 VAL A 164 9.457 1.920 7.982 1.00 1.04 H new ATOM 2592 N VAL A 165 8.965 6.025 10.209 1.00 0.96 N ATOM 2593 CA VAL A 165 8.724 7.262 10.986 1.00 1.06 C ATOM 2594 C VAL A 165 9.651 8.403 10.547 1.00 1.23 C ATOM 2595 O VAL A 165 9.177 9.521 10.362 1.00 1.46 O ATOM 2596 CB VAL A 165 8.897 7.048 12.511 1.00 1.05 C ATOM 2597 CG1 VAL A 165 8.787 8.343 13.340 1.00 1.24 C ATOM 2598 CG2 VAL A 165 7.861 6.061 13.063 1.00 1.30 C ATOM 0 H VAL A 165 9.140 5.205 10.790 1.00 0.96 H new ATOM 0 HA VAL A 165 7.688 7.533 10.782 1.00 1.06 H new ATOM 0 HB VAL A 165 9.908 6.654 12.613 1.00 1.05 H new ATOM 0 HG11 VAL A 165 8.919 8.111 14.397 1.00 1.24 H new ATOM 0 HG12 VAL A 165 9.559 9.044 13.023 1.00 1.24 H new ATOM 0 HG13 VAL A 165 7.805 8.791 13.187 1.00 1.24 H new ATOM 0 HG21 VAL A 165 8.013 5.936 14.135 1.00 1.30 H new ATOM 0 HG22 VAL A 165 6.858 6.447 12.881 1.00 1.30 H new ATOM 0 HG23 VAL A 165 7.975 5.098 12.565 1.00 1.30 H new ATOM 2608 N ALA A 166 10.956 8.145 10.386 1.00 1.04 N ATOM 2609 CA ALA A 166 11.930 9.178 10.042 1.00 1.14 C ATOM 2610 C ALA A 166 11.781 9.706 8.609 1.00 1.37 C ATOM 2611 O ALA A 166 11.810 10.922 8.441 1.00 1.65 O ATOM 2612 CB ALA A 166 13.332 8.617 10.301 1.00 1.08 C ATOM 0 H ALA A 166 11.361 7.215 10.491 1.00 1.04 H new ATOM 0 HA ALA A 166 11.750 10.048 10.674 1.00 1.14 H new ATOM 0 HB1 ALA A 166 14.078 9.372 10.051 1.00 1.08 H new ATOM 0 HB2 ALA A 166 13.427 8.347 11.353 1.00 1.08 H new ATOM 0 HB3 ALA A 166 13.490 7.733 9.684 1.00 1.08 H new ATOM 2618 N ASP A 167 11.578 8.862 7.591 1.00 1.19 N ATOM 2619 CA ASP A 167 11.404 9.398 6.225 1.00 1.46 C ATOM 2620 C ASP A 167 10.005 10.013 6.020 1.00 1.74 C ATOM 2621 O ASP A 167 9.880 11.004 5.310 1.00 1.83 O ATOM 2622 CB ASP A 167 11.793 8.386 5.132 1.00 1.67 C ATOM 2623 CG ASP A 167 12.804 8.986 4.131 1.00 2.58 C ATOM 2624 OD1 ASP A 167 12.479 9.950 3.405 1.00 3.67 O ATOM 2625 OD2 ASP A 167 13.958 8.506 4.113 1.00 3.01 O ATOM 0 H ASP A 167 11.530 7.846 7.672 1.00 1.19 H new ATOM 0 HA ASP A 167 12.113 10.219 6.117 1.00 1.46 H new ATOM 0 HB2 ASP A 167 12.223 7.498 5.595 1.00 1.67 H new ATOM 0 HB3 ASP A 167 10.899 8.066 4.598 1.00 1.67 H new ATOM 2630 N LEU A 168 8.965 9.537 6.727 1.00 1.32 N ATOM 2631 CA LEU A 168 7.687 10.264 6.799 1.00 1.44 C ATOM 2632 C LEU A 168 7.870 11.649 7.435 1.00 1.78 C ATOM 2633 O LEU A 168 7.350 12.622 6.902 1.00 1.91 O ATOM 2634 CB LEU A 168 6.619 9.455 7.562 1.00 1.41 C ATOM 2635 CG LEU A 168 6.053 8.232 6.806 1.00 1.30 C ATOM 2636 CD1 LEU A 168 5.082 7.492 7.741 1.00 1.79 C ATOM 2637 CD2 LEU A 168 5.303 8.623 5.523 1.00 1.76 C ATOM 0 H LEU A 168 8.984 8.662 7.251 1.00 1.32 H new ATOM 0 HA LEU A 168 7.337 10.402 5.776 1.00 1.44 H new ATOM 0 HB2 LEU A 168 7.050 9.113 8.503 1.00 1.41 H new ATOM 0 HB3 LEU A 168 5.793 10.121 7.813 1.00 1.41 H new ATOM 0 HG LEU A 168 6.893 7.602 6.513 1.00 1.30 H new ATOM 0 HD11 LEU A 168 4.671 6.624 7.225 1.00 1.79 H new ATOM 0 HD12 LEU A 168 5.615 7.165 8.634 1.00 1.79 H new ATOM 0 HD13 LEU A 168 4.271 8.162 8.027 1.00 1.79 H new ATOM 0 HD21 LEU A 168 4.927 7.725 5.033 1.00 1.76 H new ATOM 0 HD22 LEU A 168 4.467 9.276 5.775 1.00 1.76 H new ATOM 0 HD23 LEU A 168 5.982 9.146 4.850 1.00 1.76 H new ATOM 2649 N GLN A 169 8.620 11.752 8.539 1.00 1.55 N ATOM 2650 CA GLN A 169 8.986 13.036 9.155 1.00 1.65 C ATOM 2651 C GLN A 169 9.784 13.928 8.189 1.00 1.82 C ATOM 2652 O GLN A 169 9.572 15.136 8.157 1.00 1.85 O ATOM 2653 CB GLN A 169 9.756 12.789 10.473 1.00 1.68 C ATOM 2654 CG GLN A 169 8.831 12.593 11.695 1.00 1.83 C ATOM 2655 CD GLN A 169 9.323 13.307 12.959 1.00 2.06 C ATOM 2656 OE1 GLN A 169 8.684 14.210 13.466 1.00 2.71 O ATOM 2657 NE2 GLN A 169 10.460 12.946 13.522 1.00 2.22 N ATOM 0 H GLN A 169 8.993 10.942 9.034 1.00 1.55 H new ATOM 0 HA GLN A 169 8.069 13.577 9.387 1.00 1.65 H new ATOM 0 HB2 GLN A 169 10.386 11.907 10.358 1.00 1.68 H new ATOM 0 HB3 GLN A 169 10.420 13.632 10.661 1.00 1.68 H new ATOM 0 HG2 GLN A 169 7.834 12.957 11.447 1.00 1.83 H new ATOM 0 HG3 GLN A 169 8.739 11.527 11.903 1.00 1.83 H new ATOM 0 HE21 GLN A 169 11.013 12.192 13.116 1.00 2.22 H new ATOM 0 HE22 GLN A 169 10.786 13.421 14.364 1.00 2.22 H new ATOM 2666 N ALA A 170 10.669 13.341 7.384 1.00 1.76 N ATOM 2667 CA ALA A 170 11.457 14.019 6.362 1.00 1.89 C ATOM 2668 C ALA A 170 10.677 14.470 5.106 1.00 1.92 C ATOM 2669 O ALA A 170 11.209 15.238 4.297 1.00 2.08 O ATOM 2670 CB ALA A 170 12.590 13.068 5.996 1.00 2.03 C ATOM 0 H ALA A 170 10.862 12.341 7.430 1.00 1.76 H new ATOM 0 HA ALA A 170 11.814 14.961 6.778 1.00 1.89 H new ATOM 0 HB1 ALA A 170 13.216 13.526 5.230 1.00 2.03 H new ATOM 0 HB2 ALA A 170 13.192 12.861 6.881 1.00 2.03 H new ATOM 0 HB3 ALA A 170 12.174 12.136 5.615 1.00 2.03 H new ATOM 2676 N LEU A 171 9.470 13.935 4.891 1.00 1.71 N ATOM 2677 CA LEU A 171 8.591 14.192 3.747 1.00 1.75 C ATOM 2678 C LEU A 171 7.244 14.823 4.157 1.00 2.01 C ATOM 2679 O LEU A 171 6.358 14.918 3.310 1.00 2.10 O ATOM 2680 CB LEU A 171 8.374 12.859 3.000 1.00 1.64 C ATOM 2681 CG LEU A 171 9.646 12.247 2.379 1.00 1.87 C ATOM 2682 CD1 LEU A 171 9.327 10.839 1.860 1.00 1.90 C ATOM 2683 CD2 LEU A 171 10.190 13.115 1.232 1.00 2.44 C ATOM 0 H LEU A 171 9.058 13.273 5.549 1.00 1.71 H new ATOM 0 HA LEU A 171 9.071 14.922 3.095 1.00 1.75 H new ATOM 0 HB2 LEU A 171 7.943 12.137 3.693 1.00 1.64 H new ATOM 0 HB3 LEU A 171 7.642 13.018 2.209 1.00 1.64 H new ATOM 0 HG LEU A 171 10.415 12.198 3.150 1.00 1.87 H new ATOM 0 HD11 LEU A 171 10.223 10.402 1.420 1.00 1.90 H new ATOM 0 HD12 LEU A 171 8.987 10.215 2.686 1.00 1.90 H new ATOM 0 HD13 LEU A 171 8.544 10.899 1.104 1.00 1.90 H new ATOM 0 HD21 LEU A 171 11.086 12.652 0.819 1.00 2.44 H new ATOM 0 HD22 LEU A 171 9.434 13.202 0.452 1.00 2.44 H new ATOM 0 HD23 LEU A 171 10.436 14.107 1.611 1.00 2.44 H new ATOM 2695 N LEU A 172 7.075 15.252 5.416 1.00 1.75 N ATOM 2696 CA LEU A 172 5.807 15.693 6.042 1.00 1.81 C ATOM 2697 C LEU A 172 4.879 16.576 5.194 1.00 1.94 C ATOM 2698 O LEU A 172 5.291 17.643 4.695 1.00 2.21 O ATOM 2699 CB LEU A 172 6.136 16.342 7.410 1.00 2.02 C ATOM 2700 CG LEU A 172 5.803 15.437 8.600 1.00 2.14 C ATOM 2701 CD1 LEU A 172 6.369 16.028 9.889 1.00 2.75 C ATOM 2702 CD2 LEU A 172 4.293 15.276 8.769 1.00 2.43 C ATOM 2703 OXT LEU A 172 3.672 16.274 5.100 1.00 3.04 O ATOM 0 H LEU A 172 7.859 15.306 6.066 1.00 1.75 H new ATOM 0 HA LEU A 172 5.206 14.792 6.161 1.00 1.81 H new ATOM 0 HB2 LEU A 172 7.196 16.596 7.440 1.00 2.02 H new ATOM 0 HB3 LEU A 172 5.582 17.276 7.505 1.00 2.02 H new ATOM 0 HG LEU A 172 6.250 14.463 8.401 1.00 2.14 H new ATOM 0 HD11 LEU A 172 6.125 15.375 10.727 1.00 2.75 H new ATOM 0 HD12 LEU A 172 7.452 16.119 9.803 1.00 2.75 H new ATOM 0 HD13 LEU A 172 5.935 17.013 10.059 1.00 2.75 H new ATOM 0 HD21 LEU A 172 4.089 14.628 9.622 1.00 2.43 H new ATOM 0 HD22 LEU A 172 3.840 16.253 8.939 1.00 2.43 H new ATOM 0 HD23 LEU A 172 3.871 14.832 7.867 1.00 2.43 H new