USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 862 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 97 TYR OH : rot 77:sc= 0.0177 USER MOD Set 1.2: A 115 HIS : no HE2:sc= 0.712 K(o=0.73,f=-3.5!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -35:sc= -3.09! USER MOD Single : A 15 SER OG : rot 91:sc= 0.106 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 70:sc= -0.0711 USER MOD Single : A 27 HIS : no HD1:sc= -0.302 X(o=-0.3,f=-0.035) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -168:sc= 0.323 (180deg=0.255) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.957 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0604 K(o=-0.06,f=-0.73) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -6.64! K(o=-6.6!,f=-2.2) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 130:sc= -1.03 USER MOD Single : A 80 THR OG1 : rot -33:sc= -2.44! USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 78:sc= 0.00111 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -1.318 -0.753 15.141 1.00 0.00 N ATOM 21 CA LYS A 2 -0.762 -0.967 13.810 1.00 0.00 C ATOM 22 C LYS A 2 -1.870 -1.123 12.774 1.00 0.00 C ATOM 23 O LYS A 2 -2.743 -1.981 12.908 1.00 0.00 O ATOM 24 CB LYS A 2 0.135 -2.204 13.803 1.00 0.00 C ATOM 25 CG LYS A 2 1.352 -2.078 14.706 1.00 0.00 C ATOM 26 CD LYS A 2 2.361 -1.089 14.145 1.00 0.00 C ATOM 27 CE LYS A 2 3.787 -1.586 14.321 1.00 0.00 C ATOM 28 NZ LYS A 2 4.455 -0.959 15.494 1.00 0.00 N ATOM 0 HA LYS A 2 -0.167 -0.092 13.548 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.450 -3.069 14.115 1.00 0.00 H new ATOM 0 HB3 LYS A 2 0.468 -2.395 12.783 1.00 0.00 H new ATOM 0 HG2 LYS A 2 1.038 -1.756 15.699 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.823 -3.054 14.822 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.160 -0.924 13.086 1.00 0.00 H new ATOM 0 HD3 LYS A 2 2.246 -0.127 14.645 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.781 -2.669 14.443 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.360 -1.370 13.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.425 -1.325 15.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.484 0.073 15.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.923 -1.186 16.359 1.00 0.00 H new ATOM 42 N ARG A 3 -1.829 -0.287 11.742 1.00 0.00 N ATOM 43 CA ARG A 3 -2.827 -0.329 10.681 1.00 0.00 C ATOM 44 C ARG A 3 -2.207 0.046 9.339 1.00 0.00 C ATOM 45 O ARG A 3 -1.562 1.084 9.211 1.00 0.00 O ATOM 46 CB ARG A 3 -3.987 0.616 11.003 1.00 0.00 C ATOM 47 CG ARG A 3 -4.431 0.565 12.456 1.00 0.00 C ATOM 48 CD ARG A 3 -3.535 1.416 13.344 1.00 0.00 C ATOM 49 NE ARG A 3 -4.224 2.607 13.833 1.00 0.00 N ATOM 50 CZ ARG A 3 -5.072 2.605 14.859 1.00 0.00 C ATOM 51 NH1 ARG A 3 -5.340 1.478 15.506 1.00 0.00 N ATOM 52 NH2 ARG A 3 -5.654 3.734 15.240 1.00 0.00 N ATOM 0 H ARG A 3 -1.113 0.429 11.618 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.208 -1.348 10.614 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.692 1.636 10.758 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.835 0.367 10.364 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.461 0.914 12.535 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.417 -0.467 12.806 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.193 0.821 14.191 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -2.648 1.714 12.785 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.045 3.493 13.360 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.895 0.606 15.218 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -5.991 1.483 16.291 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.452 4.604 14.747 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.304 3.733 16.026 1.00 0.00 H new ATOM 66 N VAL A 4 -2.410 -0.807 8.341 1.00 0.00 N ATOM 67 CA VAL A 4 -1.873 -0.569 7.005 1.00 0.00 C ATOM 68 C VAL A 4 -2.992 -0.640 5.962 1.00 0.00 C ATOM 69 O VAL A 4 -4.075 -1.145 6.246 1.00 0.00 O ATOM 70 CB VAL A 4 -0.765 -1.591 6.667 1.00 0.00 C ATOM 71 CG1 VAL A 4 -0.199 -1.346 5.276 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.341 -1.537 7.716 1.00 0.00 C ATOM 0 H VAL A 4 -2.944 -1.672 8.432 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.436 0.429 6.987 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.206 -2.588 6.676 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.579 -2.080 5.065 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.995 -1.439 4.538 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.226 -0.343 5.227 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.115 -2.262 7.466 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.774 -0.537 7.737 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.075 -1.773 8.695 1.00 0.00 H new ATOM 82 N LEU A 5 -2.739 -0.118 4.763 1.00 0.00 N ATOM 83 CA LEU A 5 -3.751 -0.125 3.710 1.00 0.00 C ATOM 84 C LEU A 5 -3.266 -0.864 2.468 1.00 0.00 C ATOM 85 O LEU A 5 -2.140 -0.669 2.014 1.00 0.00 O ATOM 86 CB LEU A 5 -4.143 1.307 3.337 1.00 0.00 C ATOM 87 CG LEU A 5 -5.254 1.421 2.291 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.540 0.789 2.803 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.485 2.878 1.916 1.00 0.00 C ATOM 0 H LEU A 5 -1.852 0.311 4.499 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.623 -0.651 4.100 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.460 1.828 4.240 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.259 1.824 2.964 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.941 0.881 1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.317 0.881 2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.366 -0.265 3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.859 1.298 3.713 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.278 2.941 1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.775 3.440 2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.567 3.298 1.505 1.00 0.00 H new ATOM 101 N VAL A 6 -4.134 -1.711 1.920 1.00 0.00 N ATOM 102 CA VAL A 6 -3.806 -2.481 0.724 1.00 0.00 C ATOM 103 C VAL A 6 -4.759 -2.152 -0.420 1.00 0.00 C ATOM 104 O VAL A 6 -5.978 -2.208 -0.263 1.00 0.00 O ATOM 105 CB VAL A 6 -3.858 -3.998 0.994 1.00 0.00 C ATOM 106 CG1 VAL A 6 -3.250 -4.775 -0.167 1.00 0.00 C ATOM 107 CG2 VAL A 6 -3.151 -4.335 2.298 1.00 0.00 C ATOM 0 H VAL A 6 -5.071 -1.881 2.286 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.790 -2.204 0.443 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.903 -4.292 1.087 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.297 -5.843 0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.807 -4.561 -1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.210 -4.477 -0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.199 -5.410 2.470 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.108 -4.023 2.238 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.639 -3.813 3.122 1.00 0.00 H new ATOM 117 N VAL A 7 -4.198 -1.821 -1.576 1.00 0.00 N ATOM 118 CA VAL A 7 -4.998 -1.498 -2.751 1.00 0.00 C ATOM 119 C VAL A 7 -4.682 -2.470 -3.879 1.00 0.00 C ATOM 120 O VAL A 7 -3.522 -2.645 -4.248 1.00 0.00 O ATOM 121 CB VAL A 7 -4.750 -0.056 -3.235 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.792 0.346 -4.267 1.00 0.00 C ATOM 123 CG2 VAL A 7 -4.751 0.911 -2.061 1.00 0.00 C ATOM 0 H VAL A 7 -3.190 -1.769 -1.725 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.047 -1.584 -2.466 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.768 -0.015 -3.707 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.602 1.367 -4.598 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.737 -0.328 -5.122 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.786 0.288 -3.823 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.574 1.924 -2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.716 0.870 -1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.963 0.634 -1.361 1.00 0.00 H new ATOM 133 N ASP A 8 -5.712 -3.113 -4.417 1.00 0.00 N ATOM 134 CA ASP A 8 -5.520 -4.075 -5.492 1.00 0.00 C ATOM 135 C ASP A 8 -6.836 -4.336 -6.223 1.00 0.00 C ATOM 136 O ASP A 8 -7.906 -4.308 -5.621 1.00 0.00 O ATOM 137 CB ASP A 8 -4.936 -5.374 -4.921 1.00 0.00 C ATOM 138 CG ASP A 8 -4.997 -6.531 -5.898 1.00 0.00 C ATOM 139 OD1 ASP A 8 -4.665 -6.323 -7.084 1.00 0.00 O ATOM 140 OD2 ASP A 8 -5.374 -7.645 -5.476 1.00 0.00 O ATOM 0 H ASP A 8 -6.682 -2.986 -4.128 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.817 -3.666 -6.218 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.899 -5.204 -4.633 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.479 -5.642 -4.015 1.00 0.00 H new ATOM 145 N ASP A 9 -6.747 -4.570 -7.529 1.00 0.00 N ATOM 146 CA ASP A 9 -7.931 -4.811 -8.348 1.00 0.00 C ATOM 147 C ASP A 9 -8.183 -6.303 -8.559 1.00 0.00 C ATOM 148 O ASP A 9 -8.362 -6.759 -9.689 1.00 0.00 O ATOM 149 CB ASP A 9 -7.786 -4.108 -9.700 1.00 0.00 C ATOM 150 CG ASP A 9 -9.027 -4.244 -10.560 1.00 0.00 C ATOM 151 OD1 ASP A 9 -10.144 -4.130 -10.012 1.00 0.00 O ATOM 152 OD2 ASP A 9 -8.883 -4.466 -11.780 1.00 0.00 O ATOM 0 H ASP A 9 -5.867 -4.598 -8.043 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.790 -4.403 -7.815 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.575 -3.051 -9.536 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.931 -4.524 -10.233 1.00 0.00 H new ATOM 157 N GLU A 10 -8.213 -7.058 -7.466 1.00 0.00 N ATOM 158 CA GLU A 10 -8.465 -8.495 -7.539 1.00 0.00 C ATOM 159 C GLU A 10 -8.604 -9.099 -6.145 1.00 0.00 C ATOM 160 O GLU A 10 -7.745 -8.910 -5.284 1.00 0.00 O ATOM 161 CB GLU A 10 -7.354 -9.204 -8.323 1.00 0.00 C ATOM 162 CG GLU A 10 -6.010 -9.226 -7.614 1.00 0.00 C ATOM 163 CD GLU A 10 -5.012 -10.148 -8.287 1.00 0.00 C ATOM 164 OE1 GLU A 10 -5.392 -11.289 -8.624 1.00 0.00 O ATOM 165 OE2 GLU A 10 -3.851 -9.727 -8.477 1.00 0.00 O ATOM 0 H GLU A 10 -8.067 -6.702 -6.522 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.407 -8.642 -8.068 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.664 -10.230 -8.523 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.235 -8.712 -9.289 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.603 -8.215 -7.584 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.153 -9.543 -6.581 1.00 0.00 H new ATOM 217 N THR A 14 -5.082 -9.355 -0.280 1.00 0.00 N ATOM 218 CA THR A 14 -3.960 -9.728 -1.129 1.00 0.00 C ATOM 219 C THR A 14 -3.324 -11.024 -0.630 1.00 0.00 C ATOM 220 O THR A 14 -3.047 -11.175 0.560 1.00 0.00 O ATOM 221 CB THR A 14 -2.929 -8.598 -1.171 1.00 0.00 C ATOM 222 OG1 THR A 14 -2.502 -8.256 0.133 1.00 0.00 O ATOM 223 CG2 THR A 14 -3.457 -7.337 -1.821 1.00 0.00 C ATOM 0 HA THR A 14 -4.326 -9.896 -2.142 1.00 0.00 H new ATOM 0 HB THR A 14 -2.102 -8.984 -1.768 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.250 -8.354 0.758 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.679 -6.574 -1.820 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.752 -7.553 -2.848 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.321 -6.975 -1.264 1.00 0.00 H new ATOM 231 N SER A 15 -3.117 -11.963 -1.548 1.00 0.00 N ATOM 232 CA SER A 15 -2.538 -13.263 -1.213 1.00 0.00 C ATOM 233 C SER A 15 -1.260 -13.130 -0.387 1.00 0.00 C ATOM 234 O SER A 15 -0.369 -12.349 -0.719 1.00 0.00 O ATOM 235 CB SER A 15 -2.246 -14.052 -2.491 1.00 0.00 C ATOM 236 OG SER A 15 -3.090 -13.638 -3.551 1.00 0.00 O ATOM 0 H SER A 15 -3.343 -11.848 -2.536 1.00 0.00 H new ATOM 0 HA SER A 15 -3.270 -13.797 -0.606 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.203 -13.914 -2.777 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.387 -15.117 -2.305 1.00 0.00 H new ATOM 0 HG SER A 15 -2.655 -12.918 -4.053 1.00 0.00 H new ATOM 242 N SER A 16 -1.181 -13.922 0.686 1.00 0.00 N ATOM 243 CA SER A 16 -0.015 -13.937 1.576 1.00 0.00 C ATOM 244 C SER A 16 -0.004 -12.759 2.553 1.00 0.00 C ATOM 245 O SER A 16 0.750 -12.766 3.523 1.00 0.00 O ATOM 246 CB SER A 16 1.287 -13.949 0.767 1.00 0.00 C ATOM 247 OG SER A 16 1.256 -14.945 -0.241 1.00 0.00 O ATOM 0 H SER A 16 -1.920 -14.569 0.962 1.00 0.00 H new ATOM 0 HA SER A 16 -0.088 -14.852 2.164 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.444 -12.971 0.311 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.131 -14.129 1.434 1.00 0.00 H new ATOM 0 HG SER A 16 2.098 -14.929 -0.742 1.00 0.00 H new ATOM 253 N LEU A 17 -0.831 -11.751 2.302 1.00 0.00 N ATOM 254 CA LEU A 17 -0.887 -10.582 3.174 1.00 0.00 C ATOM 255 C LEU A 17 -1.660 -10.892 4.453 1.00 0.00 C ATOM 256 O LEU A 17 -1.158 -10.694 5.559 1.00 0.00 O ATOM 257 CB LEU A 17 -1.554 -9.413 2.433 1.00 0.00 C ATOM 258 CG LEU A 17 -0.900 -8.023 2.572 1.00 0.00 C ATOM 259 CD1 LEU A 17 -1.952 -6.983 2.922 1.00 0.00 C ATOM 260 CD2 LEU A 17 0.217 -8.008 3.613 1.00 0.00 C ATOM 0 H LEU A 17 -1.469 -11.718 1.507 1.00 0.00 H new ATOM 0 HA LEU A 17 0.132 -10.307 3.447 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.592 -9.663 1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.584 -9.337 2.780 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.450 -7.780 1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.479 -6.005 3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.704 -6.947 2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.428 -7.250 3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.645 -7.007 3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.188 -8.288 4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.993 -8.718 3.325 1.00 0.00 H new ATOM 272 N SER A 18 -2.891 -11.373 4.291 1.00 0.00 N ATOM 273 CA SER A 18 -3.750 -11.707 5.426 1.00 0.00 C ATOM 274 C SER A 18 -2.990 -12.495 6.491 1.00 0.00 C ATOM 275 O SER A 18 -2.811 -12.025 7.614 1.00 0.00 O ATOM 276 CB SER A 18 -4.963 -12.510 4.953 1.00 0.00 C ATOM 277 OG SER A 18 -6.116 -12.189 5.712 1.00 0.00 O ATOM 0 H SER A 18 -3.318 -11.541 3.380 1.00 0.00 H new ATOM 0 HA SER A 18 -4.086 -10.772 5.873 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.150 -12.305 3.899 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.753 -13.576 5.039 1.00 0.00 H new ATOM 0 HG SER A 18 -6.877 -12.714 5.389 1.00 0.00 H new ATOM 283 N ALA A 19 -2.547 -13.696 6.131 1.00 0.00 N ATOM 284 CA ALA A 19 -1.808 -14.551 7.056 1.00 0.00 C ATOM 285 C ALA A 19 -0.680 -13.781 7.738 1.00 0.00 C ATOM 286 O ALA A 19 -0.436 -13.945 8.933 1.00 0.00 O ATOM 287 CB ALA A 19 -1.251 -15.761 6.322 1.00 0.00 C ATOM 0 H ALA A 19 -2.687 -14.100 5.205 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.499 -14.890 7.828 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.702 -16.391 7.022 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.071 -16.332 5.887 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.580 -15.429 5.530 1.00 0.00 H new ATOM 293 N ILE A 20 0.004 -12.945 6.965 1.00 0.00 N ATOM 294 CA ILE A 20 1.107 -12.148 7.486 1.00 0.00 C ATOM 295 C ILE A 20 0.626 -11.172 8.556 1.00 0.00 C ATOM 296 O ILE A 20 0.966 -11.313 9.729 1.00 0.00 O ATOM 297 CB ILE A 20 1.821 -11.383 6.346 1.00 0.00 C ATOM 298 CG1 ILE A 20 2.667 -12.349 5.520 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.688 -10.256 6.892 1.00 0.00 C ATOM 300 CD1 ILE A 20 3.249 -11.718 4.277 1.00 0.00 C ATOM 0 H ILE A 20 -0.187 -12.802 5.973 1.00 0.00 H new ATOM 0 HA ILE A 20 1.820 -12.833 7.945 1.00 0.00 H new ATOM 0 HB ILE A 20 1.058 -10.937 5.708 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.478 -12.732 6.139 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.055 -13.204 5.233 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.175 -9.739 6.066 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.065 -9.552 7.444 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.445 -10.670 7.558 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.839 -12.458 3.736 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.441 -11.360 3.639 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.887 -10.881 4.559 1.00 0.00 H new ATOM 312 N LEU A 21 -0.168 -10.185 8.152 1.00 0.00 N ATOM 313 CA LEU A 21 -0.690 -9.198 9.091 1.00 0.00 C ATOM 314 C LEU A 21 -1.305 -9.880 10.310 1.00 0.00 C ATOM 315 O LEU A 21 -1.280 -9.341 11.416 1.00 0.00 O ATOM 316 CB LEU A 21 -1.729 -8.325 8.401 1.00 0.00 C ATOM 317 CG LEU A 21 -1.232 -7.645 7.128 1.00 0.00 C ATOM 318 CD1 LEU A 21 -2.220 -7.848 5.992 1.00 0.00 C ATOM 319 CD2 LEU A 21 -0.985 -6.167 7.380 1.00 0.00 C ATOM 0 H LEU A 21 -0.463 -10.048 7.185 1.00 0.00 H new ATOM 0 HA LEU A 21 0.137 -8.573 9.430 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.597 -8.938 8.157 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.066 -7.560 9.100 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.287 -8.102 6.835 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.848 -7.356 5.094 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.338 -8.914 5.799 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.184 -7.420 6.267 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.631 -5.696 6.463 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.913 -5.692 7.697 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.233 -6.052 8.161 1.00 0.00 H new ATOM 331 N GLU A 22 -1.852 -11.072 10.094 1.00 0.00 N ATOM 332 CA GLU A 22 -2.469 -11.838 11.169 1.00 0.00 C ATOM 333 C GLU A 22 -1.414 -12.367 12.134 1.00 0.00 C ATOM 334 O GLU A 22 -1.690 -12.577 13.315 1.00 0.00 O ATOM 335 CB GLU A 22 -3.279 -12.995 10.594 1.00 0.00 C ATOM 336 CG GLU A 22 -4.534 -13.313 11.390 1.00 0.00 C ATOM 337 CD GLU A 22 -5.107 -14.677 11.057 1.00 0.00 C ATOM 338 OE1 GLU A 22 -5.510 -14.883 9.893 1.00 0.00 O ATOM 339 OE2 GLU A 22 -5.154 -15.539 11.960 1.00 0.00 O ATOM 0 H GLU A 22 -1.880 -11.528 9.182 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.137 -11.175 11.720 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.560 -12.757 9.568 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.649 -13.884 10.554 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.305 -13.270 12.455 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.287 -12.549 11.194 1.00 0.00 H new ATOM 346 N GLU A 23 -0.201 -12.575 11.627 1.00 0.00 N ATOM 347 CA GLU A 23 0.893 -13.072 12.445 1.00 0.00 C ATOM 348 C GLU A 23 1.542 -11.925 13.216 1.00 0.00 C ATOM 349 O GLU A 23 1.986 -12.097 14.351 1.00 0.00 O ATOM 350 CB GLU A 23 1.927 -13.777 11.561 1.00 0.00 C ATOM 351 CG GLU A 23 3.272 -13.992 12.236 1.00 0.00 C ATOM 352 CD GLU A 23 3.815 -15.392 12.023 1.00 0.00 C ATOM 353 OE1 GLU A 23 3.209 -16.350 12.547 1.00 0.00 O ATOM 354 OE2 GLU A 23 4.846 -15.530 11.333 1.00 0.00 O ATOM 0 H GLU A 23 0.045 -12.406 10.652 1.00 0.00 H new ATOM 0 HA GLU A 23 0.499 -13.790 13.165 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.528 -14.743 11.253 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.076 -13.190 10.655 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.988 -13.266 11.850 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.172 -13.804 13.305 1.00 0.00 H new ATOM 361 N GLU A 24 1.591 -10.757 12.587 1.00 0.00 N ATOM 362 CA GLU A 24 2.183 -9.579 13.207 1.00 0.00 C ATOM 363 C GLU A 24 1.206 -8.920 14.175 1.00 0.00 C ATOM 364 O GLU A 24 1.605 -8.402 15.218 1.00 0.00 O ATOM 365 CB GLU A 24 2.613 -8.576 12.139 1.00 0.00 C ATOM 366 CG GLU A 24 3.908 -8.951 11.440 1.00 0.00 C ATOM 367 CD GLU A 24 5.091 -8.994 12.388 1.00 0.00 C ATOM 368 OE1 GLU A 24 5.676 -7.924 12.655 1.00 0.00 O ATOM 369 OE2 GLU A 24 5.432 -10.098 12.863 1.00 0.00 O ATOM 0 H GLU A 24 1.227 -10.601 11.647 1.00 0.00 H new ATOM 0 HA GLU A 24 3.060 -9.900 13.769 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.821 -8.487 11.396 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.729 -7.595 12.599 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.792 -9.925 10.966 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.109 -8.232 10.646 1.00 0.00 H new ATOM 376 N GLY A 25 -0.075 -8.938 13.820 1.00 0.00 N ATOM 377 CA GLY A 25 -1.086 -8.334 14.663 1.00 0.00 C ATOM 378 C GLY A 25 -1.373 -6.901 14.269 1.00 0.00 C ATOM 379 O GLY A 25 -1.371 -6.002 15.110 1.00 0.00 O ATOM 0 H GLY A 25 -0.429 -9.361 12.962 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.005 -8.917 14.602 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.757 -8.365 15.702 1.00 0.00 H new ATOM 383 N TYR A 26 -1.610 -6.690 12.980 1.00 0.00 N ATOM 384 CA TYR A 26 -1.889 -5.359 12.457 1.00 0.00 C ATOM 385 C TYR A 26 -3.372 -5.177 12.161 1.00 0.00 C ATOM 386 O TYR A 26 -4.191 -6.056 12.430 1.00 0.00 O ATOM 387 CB TYR A 26 -1.098 -5.122 11.171 1.00 0.00 C ATOM 388 CG TYR A 26 0.338 -4.712 11.391 1.00 0.00 C ATOM 389 CD1 TYR A 26 1.146 -5.383 12.300 1.00 0.00 C ATOM 390 CD2 TYR A 26 0.887 -3.654 10.681 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.461 -5.006 12.495 1.00 0.00 C ATOM 392 CE2 TYR A 26 2.199 -3.271 10.869 1.00 0.00 C ATOM 393 CZ TYR A 26 2.983 -3.949 11.777 1.00 0.00 C ATOM 394 OH TYR A 26 4.292 -3.572 11.969 1.00 0.00 O ATOM 0 H TYR A 26 -1.614 -7.427 12.275 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.591 -4.639 13.219 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.116 -6.034 10.574 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.599 -4.349 10.588 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.741 -6.211 12.862 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.276 -3.120 9.968 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.078 -5.536 13.206 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.609 -2.445 10.308 1.00 0.00 H new ATOM 0 HH TYR A 26 4.887 -4.260 11.605 1.00 0.00 H new ATOM 404 N HIS A 27 -3.693 -4.031 11.577 1.00 0.00 N ATOM 405 CA HIS A 27 -5.060 -3.704 11.196 1.00 0.00 C ATOM 406 C HIS A 27 -5.070 -3.231 9.747 1.00 0.00 C ATOM 407 O HIS A 27 -5.128 -2.033 9.471 1.00 0.00 O ATOM 408 CB HIS A 27 -5.634 -2.625 12.119 1.00 0.00 C ATOM 409 CG HIS A 27 -6.992 -2.956 12.652 1.00 0.00 C ATOM 410 ND1 HIS A 27 -7.454 -2.500 13.869 1.00 0.00 N ATOM 411 CD2 HIS A 27 -7.993 -3.701 12.127 1.00 0.00 C ATOM 412 CE1 HIS A 27 -8.680 -2.951 14.070 1.00 0.00 C ATOM 413 NE2 HIS A 27 -9.030 -3.682 13.028 1.00 0.00 N ATOM 0 H HIS A 27 -3.014 -3.303 11.354 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.686 -4.591 11.293 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.951 -2.473 12.955 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.686 -1.682 11.574 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.979 -4.215 11.177 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.291 -2.755 14.939 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.926 -4.156 12.911 1.00 0.00 H new ATOM 422 N PRO A 28 -4.973 -4.178 8.801 1.00 0.00 N ATOM 423 CA PRO A 28 -4.930 -3.871 7.377 1.00 0.00 C ATOM 424 C PRO A 28 -6.304 -3.724 6.737 1.00 0.00 C ATOM 425 O PRO A 28 -7.241 -4.454 7.060 1.00 0.00 O ATOM 426 CB PRO A 28 -4.197 -5.078 6.798 1.00 0.00 C ATOM 427 CG PRO A 28 -4.558 -6.215 7.696 1.00 0.00 C ATOM 428 CD PRO A 28 -4.863 -5.626 9.053 1.00 0.00 C ATOM 0 HA PRO A 28 -4.451 -2.910 7.189 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.506 -5.272 5.771 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.119 -4.915 6.781 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.421 -6.755 7.307 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.738 -6.930 7.761 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.788 -6.030 9.464 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.072 -5.847 9.770 1.00 0.00 H new ATOM 436 N ASP A 29 -6.402 -2.779 5.806 1.00 0.00 N ATOM 437 CA ASP A 29 -7.638 -2.526 5.082 1.00 0.00 C ATOM 438 C ASP A 29 -7.375 -2.647 3.588 1.00 0.00 C ATOM 439 O ASP A 29 -6.532 -1.937 3.041 1.00 0.00 O ATOM 440 CB ASP A 29 -8.184 -1.138 5.415 1.00 0.00 C ATOM 441 CG ASP A 29 -9.498 -0.849 4.712 1.00 0.00 C ATOM 442 OD1 ASP A 29 -9.548 -0.980 3.471 1.00 0.00 O ATOM 443 OD2 ASP A 29 -10.474 -0.492 5.404 1.00 0.00 O ATOM 0 H ASP A 29 -5.629 -2.171 5.535 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.385 -3.261 5.381 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.326 -1.055 6.493 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.450 -0.384 5.131 1.00 0.00 H new ATOM 448 N THR A 30 -8.073 -3.563 2.933 1.00 0.00 N ATOM 449 CA THR A 30 -7.876 -3.779 1.507 1.00 0.00 C ATOM 450 C THR A 30 -8.961 -3.110 0.673 1.00 0.00 C ATOM 451 O THR A 30 -10.140 -3.137 1.024 1.00 0.00 O ATOM 452 CB THR A 30 -7.833 -5.275 1.201 1.00 0.00 C ATOM 453 OG1 THR A 30 -9.092 -5.874 1.454 1.00 0.00 O ATOM 454 CG2 THR A 30 -6.796 -6.020 2.013 1.00 0.00 C ATOM 0 H THR A 30 -8.776 -4.165 3.362 1.00 0.00 H new ATOM 0 HA THR A 30 -6.923 -3.323 1.237 1.00 0.00 H new ATOM 0 HB THR A 30 -7.567 -5.349 0.147 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.045 -6.832 1.251 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.817 -7.077 1.748 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.807 -5.613 1.802 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.016 -5.908 3.075 1.00 0.00 H new ATOM 462 N ALA A 31 -8.546 -2.524 -0.445 1.00 0.00 N ATOM 463 CA ALA A 31 -9.466 -1.859 -1.355 1.00 0.00 C ATOM 464 C ALA A 31 -9.627 -2.676 -2.632 1.00 0.00 C ATOM 465 O ALA A 31 -9.269 -3.853 -2.670 1.00 0.00 O ATOM 466 CB ALA A 31 -8.974 -0.455 -1.675 1.00 0.00 C ATOM 0 H ALA A 31 -7.571 -2.497 -0.742 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.439 -1.778 -0.871 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.673 0.029 -2.357 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.905 0.125 -0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.991 -0.512 -2.143 1.00 0.00 H new ATOM 472 N LYS A 32 -10.171 -2.057 -3.674 1.00 0.00 N ATOM 473 CA LYS A 32 -10.374 -2.754 -4.942 1.00 0.00 C ATOM 474 C LYS A 32 -9.930 -1.909 -6.135 1.00 0.00 C ATOM 475 O LYS A 32 -9.896 -2.394 -7.266 1.00 0.00 O ATOM 476 CB LYS A 32 -11.844 -3.150 -5.110 1.00 0.00 C ATOM 477 CG LYS A 32 -12.608 -3.245 -3.800 1.00 0.00 C ATOM 478 CD LYS A 32 -14.110 -3.268 -4.030 1.00 0.00 C ATOM 479 CE LYS A 32 -14.858 -3.710 -2.782 1.00 0.00 C ATOM 480 NZ LYS A 32 -16.161 -3.004 -2.634 1.00 0.00 N ATOM 0 H LYS A 32 -10.477 -1.084 -3.669 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.757 -3.652 -4.916 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.335 -2.421 -5.754 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.895 -4.112 -5.620 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.307 -4.147 -3.267 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.349 -2.398 -3.165 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.449 -2.275 -4.326 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.343 -3.943 -4.853 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -15.031 -4.785 -2.825 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.241 -3.521 -1.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.543 -3.176 -1.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.020 -1.983 -2.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -16.831 -3.359 -3.345 1.00 0.00 H new ATOM 494 N THR A 33 -9.587 -0.649 -5.886 1.00 0.00 N ATOM 495 CA THR A 33 -9.146 0.244 -6.949 1.00 0.00 C ATOM 496 C THR A 33 -8.594 1.537 -6.363 1.00 0.00 C ATOM 497 O THR A 33 -8.442 1.664 -5.147 1.00 0.00 O ATOM 498 CB THR A 33 -10.300 0.554 -7.909 1.00 0.00 C ATOM 499 OG1 THR A 33 -11.459 -0.184 -7.563 1.00 0.00 O ATOM 500 CG2 THR A 33 -9.974 0.244 -9.354 1.00 0.00 C ATOM 0 H THR A 33 -9.606 -0.225 -4.959 1.00 0.00 H new ATOM 0 HA THR A 33 -8.354 -0.256 -7.507 1.00 0.00 H new ATOM 0 HB THR A 33 -10.474 1.626 -7.812 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.182 0.031 -8.188 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.832 0.486 -9.981 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.116 0.838 -9.669 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.738 -0.815 -9.455 1.00 0.00 H new ATOM 508 N LEU A 34 -8.306 2.498 -7.230 1.00 0.00 N ATOM 509 CA LEU A 34 -7.782 3.783 -6.791 1.00 0.00 C ATOM 510 C LEU A 34 -8.904 4.659 -6.250 1.00 0.00 C ATOM 511 O LEU A 34 -8.685 5.494 -5.372 1.00 0.00 O ATOM 512 CB LEU A 34 -7.058 4.483 -7.943 1.00 0.00 C ATOM 513 CG LEU A 34 -5.822 3.744 -8.462 1.00 0.00 C ATOM 514 CD1 LEU A 34 -5.244 4.448 -9.680 1.00 0.00 C ATOM 515 CD2 LEU A 34 -4.779 3.626 -7.361 1.00 0.00 C ATOM 0 H LEU A 34 -8.426 2.412 -8.239 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.066 3.611 -5.988 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.758 4.616 -8.768 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.759 5.479 -7.615 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.121 2.740 -8.765 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.367 3.905 -10.032 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.993 4.479 -10.472 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.958 5.465 -9.411 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.905 3.098 -7.743 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.486 4.622 -7.030 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.198 3.073 -6.521 1.00 0.00 H new ATOM 527 N ARG A 35 -10.111 4.450 -6.764 1.00 0.00 N ATOM 528 CA ARG A 35 -11.270 5.207 -6.313 1.00 0.00 C ATOM 529 C ARG A 35 -11.689 4.729 -4.929 1.00 0.00 C ATOM 530 O ARG A 35 -12.017 5.531 -4.052 1.00 0.00 O ATOM 531 CB ARG A 35 -12.429 5.049 -7.299 1.00 0.00 C ATOM 532 CG ARG A 35 -13.284 6.298 -7.440 1.00 0.00 C ATOM 533 CD ARG A 35 -14.333 6.384 -6.343 1.00 0.00 C ATOM 534 NE ARG A 35 -15.557 5.669 -6.700 1.00 0.00 N ATOM 535 CZ ARG A 35 -16.531 5.391 -5.837 1.00 0.00 C ATOM 536 NH1 ARG A 35 -16.430 5.765 -4.567 1.00 0.00 N ATOM 537 NH2 ARG A 35 -17.612 4.737 -6.244 1.00 0.00 N ATOM 0 H ARG A 35 -10.311 3.764 -7.492 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.003 6.263 -6.262 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.029 4.781 -8.277 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.060 4.222 -6.975 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.647 7.182 -7.405 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -13.774 6.296 -8.414 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.927 5.970 -5.420 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -14.568 7.430 -6.147 1.00 0.00 H new ATOM 0 HE ARG A 35 -15.671 5.365 -7.667 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -15.602 6.268 -4.248 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -17.180 5.549 -3.911 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -17.696 4.447 -7.218 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -18.358 4.524 -5.582 1.00 0.00 H new ATOM 551 N GLU A 36 -11.661 3.413 -4.739 1.00 0.00 N ATOM 552 CA GLU A 36 -12.023 2.817 -3.461 1.00 0.00 C ATOM 553 C GLU A 36 -10.995 3.186 -2.397 1.00 0.00 C ATOM 554 O GLU A 36 -11.335 3.367 -1.227 1.00 0.00 O ATOM 555 CB GLU A 36 -12.125 1.293 -3.590 1.00 0.00 C ATOM 556 CG GLU A 36 -13.472 0.817 -4.109 1.00 0.00 C ATOM 557 CD GLU A 36 -14.228 -0.019 -3.094 1.00 0.00 C ATOM 558 OE1 GLU A 36 -13.571 -0.702 -2.280 1.00 0.00 O ATOM 559 OE2 GLU A 36 -15.476 0.009 -3.113 1.00 0.00 O ATOM 0 H GLU A 36 -11.391 2.740 -5.456 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.996 3.206 -3.161 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.341 0.940 -4.260 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.939 0.841 -2.616 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -14.077 1.681 -4.384 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.321 0.231 -5.016 1.00 0.00 H new ATOM 566 N ALA A 37 -9.735 3.304 -2.812 1.00 0.00 N ATOM 567 CA ALA A 37 -8.665 3.661 -1.891 1.00 0.00 C ATOM 568 C ALA A 37 -8.747 5.132 -1.514 1.00 0.00 C ATOM 569 O ALA A 37 -8.759 5.477 -0.333 1.00 0.00 O ATOM 570 CB ALA A 37 -7.308 3.341 -2.500 1.00 0.00 C ATOM 0 H ALA A 37 -9.434 3.158 -3.776 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.784 3.069 -0.983 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.520 3.614 -1.798 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.248 2.274 -2.715 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.182 3.905 -3.424 1.00 0.00 H new ATOM 576 N GLU A 38 -8.809 6.000 -2.524 1.00 0.00 N ATOM 577 CA GLU A 38 -8.899 7.437 -2.289 1.00 0.00 C ATOM 578 C GLU A 38 -9.944 7.739 -1.227 1.00 0.00 C ATOM 579 O GLU A 38 -9.700 8.523 -0.312 1.00 0.00 O ATOM 580 CB GLU A 38 -9.236 8.174 -3.583 1.00 0.00 C ATOM 581 CG GLU A 38 -8.052 8.330 -4.522 1.00 0.00 C ATOM 582 CD GLU A 38 -8.441 8.939 -5.854 1.00 0.00 C ATOM 583 OE1 GLU A 38 -9.042 10.034 -5.854 1.00 0.00 O ATOM 584 OE2 GLU A 38 -8.143 8.322 -6.899 1.00 0.00 O ATOM 0 H GLU A 38 -8.798 5.732 -3.508 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.929 7.785 -1.934 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.031 7.637 -4.101 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.626 9.162 -3.337 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.297 8.956 -4.047 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.597 7.354 -4.692 1.00 0.00 H new ATOM 591 N LYS A 39 -11.099 7.095 -1.340 1.00 0.00 N ATOM 592 CA LYS A 39 -12.164 7.286 -0.367 1.00 0.00 C ATOM 593 C LYS A 39 -11.673 6.873 1.015 1.00 0.00 C ATOM 594 O LYS A 39 -11.756 7.643 1.972 1.00 0.00 O ATOM 595 CB LYS A 39 -13.398 6.471 -0.755 1.00 0.00 C ATOM 596 CG LYS A 39 -14.583 6.682 0.172 1.00 0.00 C ATOM 597 CD LYS A 39 -14.636 5.622 1.260 1.00 0.00 C ATOM 598 CE LYS A 39 -15.685 5.953 2.310 1.00 0.00 C ATOM 599 NZ LYS A 39 -16.998 5.321 2.005 1.00 0.00 N ATOM 0 H LYS A 39 -11.320 6.441 -2.091 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.442 8.340 -0.350 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.691 6.733 -1.771 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.137 5.413 -0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.518 7.670 0.628 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.507 6.658 -0.406 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.859 4.653 0.814 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.659 5.537 1.735 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.339 5.616 3.287 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.808 7.034 2.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.684 5.572 2.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.342 5.661 1.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.887 4.288 1.972 1.00 0.00 H new ATOM 613 N LYS A 40 -11.155 5.651 1.106 1.00 0.00 N ATOM 614 CA LYS A 40 -10.642 5.131 2.366 1.00 0.00 C ATOM 615 C LYS A 40 -9.473 5.974 2.873 1.00 0.00 C ATOM 616 O LYS A 40 -9.184 5.990 4.069 1.00 0.00 O ATOM 617 CB LYS A 40 -10.203 3.678 2.200 1.00 0.00 C ATOM 618 CG LYS A 40 -11.361 2.704 2.053 1.00 0.00 C ATOM 619 CD LYS A 40 -11.426 1.732 3.221 1.00 0.00 C ATOM 620 CE LYS A 40 -12.828 1.170 3.402 1.00 0.00 C ATOM 621 NZ LYS A 40 -13.180 0.197 2.332 1.00 0.00 N ATOM 0 H LYS A 40 -11.080 5.004 0.321 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.445 5.180 3.102 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.560 3.600 1.323 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.603 3.388 3.062 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.297 3.258 1.987 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.254 2.148 1.122 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.724 0.915 3.055 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.115 2.238 4.135 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.901 0.682 4.374 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.549 1.987 3.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.143 -0.162 2.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.136 0.668 1.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.507 -0.596 2.349 1.00 0.00 H new ATOM 635 N ILE A 41 -8.799 6.669 1.959 1.00 0.00 N ATOM 636 CA ILE A 41 -7.661 7.504 2.327 1.00 0.00 C ATOM 637 C ILE A 41 -8.072 8.964 2.526 1.00 0.00 C ATOM 638 O ILE A 41 -7.318 9.754 3.093 1.00 0.00 O ATOM 639 CB ILE A 41 -6.553 7.428 1.260 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.139 5.974 1.028 1.00 0.00 C ATOM 641 CG2 ILE A 41 -5.351 8.266 1.675 1.00 0.00 C ATOM 642 CD1 ILE A 41 -5.927 5.630 -0.430 1.00 0.00 C ATOM 0 H ILE A 41 -9.021 6.670 0.963 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.279 7.118 3.272 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.944 7.831 0.326 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.219 5.775 1.577 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.905 5.317 1.440 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.579 8.199 0.908 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.656 9.306 1.794 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.957 7.893 2.620 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.635 4.583 -0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.852 5.797 -0.981 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.140 6.262 -0.842 1.00 0.00 H new ATOM 654 N LYS A 42 -9.266 9.318 2.058 1.00 0.00 N ATOM 655 CA LYS A 42 -9.762 10.683 2.192 1.00 0.00 C ATOM 656 C LYS A 42 -10.298 10.948 3.598 1.00 0.00 C ATOM 657 O LYS A 42 -10.669 12.075 3.926 1.00 0.00 O ATOM 658 CB LYS A 42 -10.851 10.956 1.158 1.00 0.00 C ATOM 659 CG LYS A 42 -10.517 12.096 0.211 1.00 0.00 C ATOM 660 CD LYS A 42 -10.687 13.448 0.885 1.00 0.00 C ATOM 661 CE LYS A 42 -9.890 14.529 0.175 1.00 0.00 C ATOM 662 NZ LYS A 42 -10.511 15.873 0.336 1.00 0.00 N ATOM 0 H LYS A 42 -9.906 8.680 1.584 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.924 11.358 2.017 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.024 10.050 0.577 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.783 11.185 1.675 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.491 11.990 -0.140 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.161 12.042 -0.667 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.742 13.720 0.895 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.365 13.381 1.924 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.874 14.549 0.569 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.816 14.288 -0.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.937 16.583 -0.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.471 15.862 -0.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.559 16.115 1.346 1.00 0.00 H new ATOM 676 N GLU A 43 -10.338 9.907 4.427 1.00 0.00 N ATOM 677 CA GLU A 43 -10.829 10.039 5.792 1.00 0.00 C ATOM 678 C GLU A 43 -9.934 9.283 6.766 1.00 0.00 C ATOM 679 O GLU A 43 -9.509 9.826 7.786 1.00 0.00 O ATOM 680 CB GLU A 43 -12.266 9.522 5.892 1.00 0.00 C ATOM 681 CG GLU A 43 -13.189 10.085 4.823 1.00 0.00 C ATOM 682 CD GLU A 43 -14.418 9.224 4.604 1.00 0.00 C ATOM 683 OE1 GLU A 43 -15.078 8.867 5.602 1.00 0.00 O ATOM 684 OE2 GLU A 43 -14.720 8.907 3.434 1.00 0.00 O ATOM 0 H GLU A 43 -10.036 8.966 4.176 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.813 11.096 6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.258 8.435 5.818 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.666 9.772 6.875 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.500 11.090 5.109 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.641 10.175 3.885 1.00 0.00 H new ATOM 691 N LEU A 44 -9.651 8.026 6.444 1.00 0.00 N ATOM 692 CA LEU A 44 -8.805 7.193 7.290 1.00 0.00 C ATOM 693 C LEU A 44 -7.336 7.570 7.125 1.00 0.00 C ATOM 694 O LEU A 44 -6.764 7.422 6.045 1.00 0.00 O ATOM 695 CB LEU A 44 -9.007 5.714 6.950 1.00 0.00 C ATOM 696 CG LEU A 44 -9.447 4.833 8.119 1.00 0.00 C ATOM 697 CD1 LEU A 44 -8.387 4.823 9.210 1.00 0.00 C ATOM 698 CD2 LEU A 44 -10.780 5.311 8.671 1.00 0.00 C ATOM 0 H LEU A 44 -9.995 7.562 5.603 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.091 7.361 8.328 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.752 5.638 6.158 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.074 5.319 6.549 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.571 3.813 7.755 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.718 4.191 10.034 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.453 4.433 8.806 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.229 5.838 9.573 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.079 4.673 9.503 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.682 6.339 9.019 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.536 5.264 7.887 1.00 0.00 H new ATOM 710 N PHE A 45 -6.731 8.053 8.204 1.00 0.00 N ATOM 711 CA PHE A 45 -5.327 8.445 8.179 1.00 0.00 C ATOM 712 C PHE A 45 -4.428 7.213 8.176 1.00 0.00 C ATOM 713 O PHE A 45 -3.673 6.978 9.120 1.00 0.00 O ATOM 714 CB PHE A 45 -4.999 9.332 9.382 1.00 0.00 C ATOM 715 CG PHE A 45 -3.698 10.071 9.246 1.00 0.00 C ATOM 716 CD1 PHE A 45 -3.564 11.100 8.328 1.00 0.00 C ATOM 717 CD2 PHE A 45 -2.609 9.736 10.036 1.00 0.00 C ATOM 718 CE1 PHE A 45 -2.368 11.783 8.200 1.00 0.00 C ATOM 719 CE2 PHE A 45 -1.411 10.415 9.912 1.00 0.00 C ATOM 720 CZ PHE A 45 -1.290 11.440 8.993 1.00 0.00 C ATOM 0 H PHE A 45 -7.190 8.182 9.106 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.146 9.012 7.266 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -5.804 10.053 9.522 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.965 8.715 10.280 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.403 11.372 7.705 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.697 8.936 10.756 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.277 12.584 7.481 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.570 10.144 10.533 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.355 11.972 8.895 1.00 0.00 H new ATOM 730 N PHE A 46 -4.522 6.426 7.110 1.00 0.00 N ATOM 731 CA PHE A 46 -3.725 5.213 6.983 1.00 0.00 C ATOM 732 C PHE A 46 -2.230 5.527 7.054 1.00 0.00 C ATOM 733 O PHE A 46 -1.714 6.305 6.252 1.00 0.00 O ATOM 734 CB PHE A 46 -4.050 4.503 5.668 1.00 0.00 C ATOM 735 CG PHE A 46 -5.253 3.607 5.752 1.00 0.00 C ATOM 736 CD1 PHE A 46 -5.215 2.443 6.503 1.00 0.00 C ATOM 737 CD2 PHE A 46 -6.420 3.927 5.078 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.320 1.617 6.581 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.527 3.104 5.152 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.477 1.948 5.904 1.00 0.00 C ATOM 0 H PHE A 46 -5.143 6.607 6.321 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.975 4.555 7.816 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.217 5.250 4.892 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.187 3.912 5.361 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.312 2.179 7.033 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.465 4.830 4.488 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.279 0.713 7.171 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.431 3.365 4.622 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.341 1.303 5.963 1.00 0.00 H new ATOM 750 N PRO A 47 -1.509 4.920 8.016 1.00 0.00 N ATOM 751 CA PRO A 47 -0.070 5.140 8.177 1.00 0.00 C ATOM 752 C PRO A 47 0.732 4.604 6.997 1.00 0.00 C ATOM 753 O PRO A 47 1.582 5.300 6.443 1.00 0.00 O ATOM 754 CB PRO A 47 0.299 4.362 9.449 1.00 0.00 C ATOM 755 CG PRO A 47 -0.989 3.955 10.083 1.00 0.00 C ATOM 756 CD PRO A 47 -2.039 3.975 9.008 1.00 0.00 C ATOM 0 HA PRO A 47 0.158 6.204 8.236 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.906 3.489 9.208 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.887 4.982 10.126 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.905 2.960 10.520 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -1.253 4.637 10.891 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.189 2.985 8.577 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.003 4.303 9.397 1.00 0.00 H new ATOM 764 N VAL A 48 0.466 3.354 6.632 1.00 0.00 N ATOM 765 CA VAL A 48 1.171 2.711 5.531 1.00 0.00 C ATOM 766 C VAL A 48 0.226 2.352 4.391 1.00 0.00 C ATOM 767 O VAL A 48 -0.793 1.697 4.600 1.00 0.00 O ATOM 768 CB VAL A 48 1.881 1.435 6.010 1.00 0.00 C ATOM 769 CG1 VAL A 48 2.732 0.836 4.900 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.721 1.729 7.240 1.00 0.00 C ATOM 0 H VAL A 48 -0.234 2.766 7.084 1.00 0.00 H new ATOM 0 HA VAL A 48 1.907 3.427 5.165 1.00 0.00 H new ATOM 0 HB VAL A 48 1.122 0.700 6.279 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.224 -0.066 5.265 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.097 0.585 4.050 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.486 1.559 4.589 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.218 0.816 7.568 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.470 2.483 6.997 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.079 2.100 8.039 1.00 0.00 H new ATOM 780 N ILE A 49 0.571 2.790 3.186 1.00 0.00 N ATOM 781 CA ILE A 49 -0.247 2.512 2.011 1.00 0.00 C ATOM 782 C ILE A 49 0.484 1.600 1.031 1.00 0.00 C ATOM 783 O ILE A 49 1.617 1.876 0.638 1.00 0.00 O ATOM 784 CB ILE A 49 -0.647 3.809 1.279 1.00 0.00 C ATOM 785 CG1 ILE A 49 -1.076 4.882 2.281 1.00 0.00 C ATOM 786 CG2 ILE A 49 -1.762 3.533 0.283 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.248 4.469 3.145 1.00 0.00 C ATOM 0 H ILE A 49 1.410 3.338 2.997 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.147 2.012 2.370 1.00 0.00 H new ATOM 0 HB ILE A 49 0.221 4.178 0.733 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.230 5.127 2.923 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.337 5.790 1.738 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.033 4.458 -0.225 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.422 2.802 -0.451 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.632 3.140 0.810 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.497 5.278 3.831 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.108 4.252 2.512 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.984 3.578 3.715 1.00 0.00 H new ATOM 799 N VAL A 50 -0.171 0.514 0.637 1.00 0.00 N ATOM 800 CA VAL A 50 0.418 -0.436 -0.302 1.00 0.00 C ATOM 801 C VAL A 50 -0.488 -0.634 -1.512 1.00 0.00 C ATOM 802 O VAL A 50 -1.527 -1.285 -1.423 1.00 0.00 O ATOM 803 CB VAL A 50 0.686 -1.798 0.367 1.00 0.00 C ATOM 804 CG1 VAL A 50 1.277 -2.787 -0.630 1.00 0.00 C ATOM 805 CG2 VAL A 50 1.606 -1.621 1.565 1.00 0.00 C ATOM 0 H VAL A 50 -1.109 0.269 0.952 1.00 0.00 H new ATOM 0 HA VAL A 50 1.369 -0.017 -0.630 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.263 -2.205 0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.457 -3.740 -0.133 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.579 -2.933 -1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.218 -2.396 -1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.788 -2.590 2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.553 -1.192 1.237 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.137 -0.954 2.288 1.00 0.00 H new ATOM 815 N LEU A 51 -0.086 -0.059 -2.638 1.00 0.00 N ATOM 816 CA LEU A 51 -0.865 -0.161 -3.867 1.00 0.00 C ATOM 817 C LEU A 51 -0.403 -1.327 -4.732 1.00 0.00 C ATOM 818 O LEU A 51 0.786 -1.637 -4.805 1.00 0.00 O ATOM 819 CB LEU A 51 -0.772 1.141 -4.674 1.00 0.00 C ATOM 820 CG LEU A 51 -1.395 1.087 -6.076 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.854 1.510 -6.027 1.00 0.00 C ATOM 822 CD2 LEU A 51 -0.614 1.962 -7.046 1.00 0.00 C ATOM 0 H LEU A 51 0.774 0.482 -2.727 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.901 -0.338 -3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.258 1.936 -4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.278 1.415 -4.771 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.348 0.058 -6.433 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.280 1.466 -7.030 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.406 0.839 -5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.925 2.529 -5.648 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.072 1.909 -8.034 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.626 2.994 -6.695 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.416 1.610 -7.105 1.00 0.00 H new ATOM 834 N ASP A 52 -1.362 -1.944 -5.410 1.00 0.00 N ATOM 835 CA ASP A 52 -1.085 -3.052 -6.308 1.00 0.00 C ATOM 836 C ASP A 52 -1.314 -2.599 -7.745 1.00 0.00 C ATOM 837 O ASP A 52 -1.698 -1.454 -7.982 1.00 0.00 O ATOM 838 CB ASP A 52 -1.980 -4.250 -5.979 1.00 0.00 C ATOM 839 CG ASP A 52 -1.353 -5.570 -6.384 1.00 0.00 C ATOM 840 OD1 ASP A 52 -0.421 -6.024 -5.687 1.00 0.00 O ATOM 841 OD2 ASP A 52 -1.795 -6.151 -7.398 1.00 0.00 O ATOM 0 H ASP A 52 -2.348 -1.690 -5.352 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.048 -3.363 -6.185 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.186 -4.262 -4.909 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.937 -4.135 -6.487 1.00 0.00 H new ATOM 846 N VAL A 53 -1.080 -3.482 -8.704 1.00 0.00 N ATOM 847 CA VAL A 53 -1.270 -3.129 -10.105 1.00 0.00 C ATOM 848 C VAL A 53 -1.681 -4.342 -10.938 1.00 0.00 C ATOM 849 O VAL A 53 -1.196 -4.544 -12.051 1.00 0.00 O ATOM 850 CB VAL A 53 0.004 -2.468 -10.691 1.00 0.00 C ATOM 851 CG1 VAL A 53 0.495 -1.368 -9.762 1.00 0.00 C ATOM 852 CG2 VAL A 53 1.115 -3.483 -10.929 1.00 0.00 C ATOM 0 H VAL A 53 -0.762 -4.438 -8.542 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.082 -2.404 -10.150 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.263 -2.039 -11.657 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.390 -0.910 -10.182 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.282 -0.612 -9.651 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.729 -1.793 -8.786 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.988 -2.977 -11.340 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.382 -3.958 -9.985 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.771 -4.241 -11.633 1.00 0.00 H new ATOM 862 N TRP A 54 -2.592 -5.145 -10.387 1.00 0.00 N ATOM 863 CA TRP A 54 -3.083 -6.341 -11.069 1.00 0.00 C ATOM 864 C TRP A 54 -3.517 -6.017 -12.502 1.00 0.00 C ATOM 865 O TRP A 54 -2.712 -6.088 -13.431 1.00 0.00 O ATOM 866 CB TRP A 54 -4.244 -6.955 -10.275 1.00 0.00 C ATOM 867 CG TRP A 54 -4.982 -8.032 -11.012 1.00 0.00 C ATOM 868 CD1 TRP A 54 -6.263 -7.975 -11.482 1.00 0.00 C ATOM 869 CD2 TRP A 54 -4.484 -9.327 -11.360 1.00 0.00 C ATOM 870 NE1 TRP A 54 -6.591 -9.157 -12.101 1.00 0.00 N ATOM 871 CE2 TRP A 54 -5.515 -10.003 -12.039 1.00 0.00 C ATOM 872 CE3 TRP A 54 -3.266 -9.980 -11.164 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -5.363 -11.301 -12.522 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -3.116 -11.269 -11.643 1.00 0.00 C ATOM 875 CH2 TRP A 54 -4.159 -11.916 -12.315 1.00 0.00 C ATOM 0 H TRP A 54 -3.005 -4.987 -9.468 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.272 -7.067 -11.125 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.856 -7.366 -9.343 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.946 -6.165 -10.007 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -6.922 -7.125 -11.382 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -7.489 -9.370 -12.536 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.455 -9.488 -10.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -6.166 -11.803 -13.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.178 -11.785 -11.496 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -4.010 -12.922 -12.678 1.00 0.00 H new ATOM 886 N MET A 55 -4.786 -5.660 -12.675 1.00 0.00 N ATOM 887 CA MET A 55 -5.311 -5.327 -13.994 1.00 0.00 C ATOM 888 C MET A 55 -6.434 -4.295 -13.894 1.00 0.00 C ATOM 889 O MET A 55 -7.514 -4.484 -14.453 1.00 0.00 O ATOM 890 CB MET A 55 -5.821 -6.589 -14.694 1.00 0.00 C ATOM 891 CG MET A 55 -5.819 -6.486 -16.211 1.00 0.00 C ATOM 892 SD MET A 55 -6.468 -7.968 -17.008 1.00 0.00 S ATOM 893 CE MET A 55 -8.227 -7.631 -16.971 1.00 0.00 C ATOM 0 H MET A 55 -5.468 -5.594 -11.920 1.00 0.00 H new ATOM 0 HA MET A 55 -4.501 -4.895 -14.581 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.203 -7.435 -14.395 1.00 0.00 H new ATOM 0 HB3 MET A 55 -6.835 -6.799 -14.354 1.00 0.00 H new ATOM 0 HG2 MET A 55 -6.415 -5.625 -16.514 1.00 0.00 H new ATOM 0 HG3 MET A 55 -4.801 -6.307 -16.558 1.00 0.00 H new ATOM 0 HE1 MET A 55 -8.766 -8.460 -17.430 1.00 0.00 H new ATOM 0 HE2 MET A 55 -8.553 -7.514 -15.938 1.00 0.00 H new ATOM 0 HE3 MET A 55 -8.433 -6.714 -17.523 1.00 0.00 H new ATOM 903 N PRO A 56 -6.192 -3.181 -13.178 1.00 0.00 N ATOM 904 CA PRO A 56 -7.189 -2.120 -13.012 1.00 0.00 C ATOM 905 C PRO A 56 -7.331 -1.259 -14.263 1.00 0.00 C ATOM 906 O PRO A 56 -6.822 -1.607 -15.329 1.00 0.00 O ATOM 907 CB PRO A 56 -6.628 -1.295 -11.855 1.00 0.00 C ATOM 908 CG PRO A 56 -5.152 -1.473 -11.952 1.00 0.00 C ATOM 909 CD PRO A 56 -4.931 -2.867 -12.477 1.00 0.00 C ATOM 0 HA PRO A 56 -8.187 -2.518 -12.828 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.908 -0.245 -11.944 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.008 -1.646 -10.896 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.713 -0.731 -12.620 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.679 -1.344 -10.978 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.076 -2.910 -13.152 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.735 -3.573 -11.670 1.00 0.00 H new ATOM 917 N ASP A 57 -8.027 -0.136 -14.127 1.00 0.00 N ATOM 918 CA ASP A 57 -8.234 0.776 -15.247 1.00 0.00 C ATOM 919 C ASP A 57 -8.253 2.225 -14.772 1.00 0.00 C ATOM 920 O ASP A 57 -9.048 3.035 -15.248 1.00 0.00 O ATOM 921 CB ASP A 57 -9.545 0.444 -15.963 1.00 0.00 C ATOM 922 CG ASP A 57 -9.595 -0.994 -16.441 1.00 0.00 C ATOM 923 OD1 ASP A 57 -9.041 -1.279 -17.524 1.00 0.00 O ATOM 924 OD2 ASP A 57 -10.185 -1.835 -15.732 1.00 0.00 O ATOM 0 H ASP A 57 -8.458 0.165 -13.253 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.405 0.653 -15.944 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -10.381 0.629 -15.288 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.669 1.112 -16.815 1.00 0.00 H new ATOM 929 N GLY A 58 -7.371 2.545 -13.831 1.00 0.00 N ATOM 930 CA GLY A 58 -7.303 3.896 -13.308 1.00 0.00 C ATOM 931 C GLY A 58 -5.878 4.369 -13.096 1.00 0.00 C ATOM 932 O GLY A 58 -5.634 5.298 -12.326 1.00 0.00 O ATOM 0 H GLY A 58 -6.702 1.893 -13.422 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.808 4.574 -13.996 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.842 3.943 -12.362 1.00 0.00 H new ATOM 936 N ASP A 59 -4.932 3.729 -13.778 1.00 0.00 N ATOM 937 CA ASP A 59 -3.526 4.094 -13.654 1.00 0.00 C ATOM 938 C ASP A 59 -3.044 3.886 -12.219 1.00 0.00 C ATOM 939 O ASP A 59 -3.653 3.138 -11.456 1.00 0.00 O ATOM 940 CB ASP A 59 -3.317 5.550 -14.082 1.00 0.00 C ATOM 941 CG ASP A 59 -4.027 5.880 -15.380 1.00 0.00 C ATOM 942 OD1 ASP A 59 -5.262 5.702 -15.444 1.00 0.00 O ATOM 943 OD2 ASP A 59 -3.348 6.318 -16.333 1.00 0.00 O ATOM 0 H ASP A 59 -5.114 2.958 -14.420 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.941 3.450 -14.310 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.678 6.212 -13.295 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.250 5.743 -14.196 1.00 0.00 H new ATOM 948 N GLY A 60 -1.949 4.550 -11.855 1.00 0.00 N ATOM 949 CA GLY A 60 -1.418 4.416 -10.511 1.00 0.00 C ATOM 950 C GLY A 60 -0.373 5.466 -10.189 1.00 0.00 C ATOM 951 O GLY A 60 -0.338 5.994 -9.078 1.00 0.00 O ATOM 0 H GLY A 60 -1.423 5.176 -12.465 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.235 4.489 -9.793 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.980 3.425 -10.395 1.00 0.00 H new ATOM 955 N VAL A 61 0.478 5.775 -11.164 1.00 0.00 N ATOM 956 CA VAL A 61 1.521 6.771 -10.980 1.00 0.00 C ATOM 957 C VAL A 61 0.922 8.110 -10.560 1.00 0.00 C ATOM 958 O VAL A 61 1.446 8.792 -9.678 1.00 0.00 O ATOM 959 CB VAL A 61 2.331 6.961 -12.275 1.00 0.00 C ATOM 960 CG1 VAL A 61 3.490 7.911 -12.044 1.00 0.00 C ATOM 961 CG2 VAL A 61 2.828 5.621 -12.801 1.00 0.00 C ATOM 0 H VAL A 61 0.463 5.347 -12.090 1.00 0.00 H new ATOM 0 HA VAL A 61 2.184 6.412 -10.193 1.00 0.00 H new ATOM 0 HB VAL A 61 1.675 7.399 -13.028 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.051 8.033 -12.971 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.108 8.879 -11.721 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.146 7.505 -11.274 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.398 5.778 -13.717 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.466 5.150 -12.053 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.976 4.974 -13.010 1.00 0.00 H new ATOM 971 N ASN A 62 -0.183 8.477 -11.196 1.00 0.00 N ATOM 972 CA ASN A 62 -0.864 9.726 -10.892 1.00 0.00 C ATOM 973 C ASN A 62 -1.484 9.677 -9.493 1.00 0.00 C ATOM 974 O ASN A 62 -1.776 10.713 -8.897 1.00 0.00 O ATOM 975 CB ASN A 62 -1.930 10.006 -11.963 1.00 0.00 C ATOM 976 CG ASN A 62 -3.353 9.988 -11.427 1.00 0.00 C ATOM 977 OD1 ASN A 62 -3.789 10.926 -10.759 1.00 0.00 O ATOM 978 ND2 ASN A 62 -4.083 8.917 -11.720 1.00 0.00 N ATOM 0 H ASN A 62 -0.627 7.924 -11.929 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.139 10.540 -10.901 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.733 10.979 -12.414 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.840 9.263 -12.756 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.045 8.849 -11.388 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.681 8.163 -12.277 1.00 0.00 H new ATOM 985 N PHE A 63 -1.683 8.465 -8.978 1.00 0.00 N ATOM 986 CA PHE A 63 -2.269 8.282 -7.656 1.00 0.00 C ATOM 987 C PHE A 63 -1.226 8.478 -6.560 1.00 0.00 C ATOM 988 O PHE A 63 -1.541 8.961 -5.472 1.00 0.00 O ATOM 989 CB PHE A 63 -2.891 6.887 -7.539 1.00 0.00 C ATOM 990 CG PHE A 63 -3.469 6.601 -6.182 1.00 0.00 C ATOM 991 CD1 PHE A 63 -4.417 7.447 -5.627 1.00 0.00 C ATOM 992 CD2 PHE A 63 -3.064 5.489 -5.461 1.00 0.00 C ATOM 993 CE1 PHE A 63 -4.948 7.188 -4.379 1.00 0.00 C ATOM 994 CE2 PHE A 63 -3.594 5.226 -4.212 1.00 0.00 C ATOM 995 CZ PHE A 63 -4.537 6.078 -3.670 1.00 0.00 C ATOM 0 H PHE A 63 -1.446 7.597 -9.458 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.047 9.034 -7.527 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.676 6.784 -8.289 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -2.132 6.139 -7.767 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.743 8.318 -6.177 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.326 4.821 -5.880 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.686 7.855 -3.957 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.271 4.355 -3.660 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.952 5.876 -2.693 1.00 0.00 H new ATOM 1005 N ILE A 64 0.017 8.100 -6.849 1.00 0.00 N ATOM 1006 CA ILE A 64 1.105 8.233 -5.880 1.00 0.00 C ATOM 1007 C ILE A 64 1.101 9.615 -5.234 1.00 0.00 C ATOM 1008 O ILE A 64 1.523 9.777 -4.089 1.00 0.00 O ATOM 1009 CB ILE A 64 2.491 7.995 -6.523 1.00 0.00 C ATOM 1010 CG1 ILE A 64 2.448 6.841 -7.532 1.00 0.00 C ATOM 1011 CG2 ILE A 64 3.529 7.715 -5.446 1.00 0.00 C ATOM 1012 CD1 ILE A 64 1.736 5.605 -7.028 1.00 0.00 C ATOM 0 H ILE A 64 0.297 7.700 -7.744 1.00 0.00 H new ATOM 0 HA ILE A 64 0.931 7.468 -5.123 1.00 0.00 H new ATOM 0 HB ILE A 64 2.771 8.900 -7.062 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.955 7.186 -8.441 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.469 6.573 -7.805 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.501 7.549 -5.911 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.591 8.568 -4.770 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.240 6.827 -4.884 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.750 4.837 -7.801 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.241 5.232 -6.137 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.704 5.854 -6.783 1.00 0.00 H new ATOM 1024 N ASP A 65 0.620 10.607 -5.975 1.00 0.00 N ATOM 1025 CA ASP A 65 0.560 11.974 -5.472 1.00 0.00 C ATOM 1026 C ASP A 65 -0.578 12.134 -4.470 1.00 0.00 C ATOM 1027 O ASP A 65 -0.388 12.692 -3.394 1.00 0.00 O ATOM 1028 CB ASP A 65 0.390 12.963 -6.628 1.00 0.00 C ATOM 1029 CG ASP A 65 1.574 13.901 -6.765 1.00 0.00 C ATOM 1030 OD1 ASP A 65 2.709 13.404 -6.922 1.00 0.00 O ATOM 1031 OD2 ASP A 65 1.366 15.131 -6.714 1.00 0.00 O ATOM 0 H ASP A 65 0.266 10.490 -6.925 1.00 0.00 H new ATOM 0 HA ASP A 65 1.499 12.189 -4.962 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.258 12.411 -7.558 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.517 13.547 -6.472 1.00 0.00 H new ATOM 1036 N PHE A 66 -1.763 11.641 -4.822 1.00 0.00 N ATOM 1037 CA PHE A 66 -2.922 11.733 -3.940 1.00 0.00 C ATOM 1038 C PHE A 66 -2.577 11.241 -2.536 1.00 0.00 C ATOM 1039 O PHE A 66 -2.964 11.854 -1.541 1.00 0.00 O ATOM 1040 CB PHE A 66 -4.081 10.915 -4.521 1.00 0.00 C ATOM 1041 CG PHE A 66 -5.278 10.813 -3.617 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -5.272 9.951 -2.532 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -6.411 11.575 -3.857 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -6.371 9.852 -1.702 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -7.514 11.479 -3.030 1.00 0.00 C ATOM 1046 CZ PHE A 66 -7.494 10.617 -1.951 1.00 0.00 C ATOM 0 H PHE A 66 -1.945 11.175 -5.711 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.222 12.778 -3.867 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.390 11.364 -5.465 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.724 9.910 -4.747 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.397 9.349 -2.333 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.432 12.251 -4.699 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.353 9.177 -0.859 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.391 12.078 -3.227 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.355 10.541 -1.303 1.00 0.00 H new ATOM 1056 N ILE A 67 -1.839 10.138 -2.465 1.00 0.00 N ATOM 1057 CA ILE A 67 -1.435 9.574 -1.184 1.00 0.00 C ATOM 1058 C ILE A 67 -0.589 10.578 -0.405 1.00 0.00 C ATOM 1059 O ILE A 67 -0.784 10.771 0.795 1.00 0.00 O ATOM 1060 CB ILE A 67 -0.642 8.261 -1.372 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -1.532 7.194 -2.012 1.00 0.00 C ATOM 1062 CG2 ILE A 67 -0.094 7.765 -0.040 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -1.353 7.077 -3.509 1.00 0.00 C ATOM 0 H ILE A 67 -1.509 9.618 -3.278 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.341 9.350 -0.621 1.00 0.00 H new ATOM 0 HB ILE A 67 0.201 8.460 -2.034 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.317 6.229 -1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.575 7.425 -1.796 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.461 6.840 -0.197 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.570 8.519 0.384 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.920 7.581 0.647 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.015 6.302 -3.895 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.596 8.029 -3.980 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.319 6.815 -3.732 1.00 0.00 H new ATOM 1075 N LYS A 68 0.344 11.221 -1.097 1.00 0.00 N ATOM 1076 CA LYS A 68 1.211 12.211 -0.471 1.00 0.00 C ATOM 1077 C LYS A 68 0.494 13.556 -0.340 1.00 0.00 C ATOM 1078 O LYS A 68 0.911 14.422 0.430 1.00 0.00 O ATOM 1079 CB LYS A 68 2.507 12.363 -1.277 1.00 0.00 C ATOM 1080 CG LYS A 68 2.387 13.280 -2.482 1.00 0.00 C ATOM 1081 CD LYS A 68 3.293 14.494 -2.351 1.00 0.00 C ATOM 1082 CE LYS A 68 3.611 15.102 -3.708 1.00 0.00 C ATOM 1083 NZ LYS A 68 3.602 16.590 -3.665 1.00 0.00 N ATOM 0 H LYS A 68 0.519 11.075 -2.091 1.00 0.00 H new ATOM 0 HA LYS A 68 1.463 11.866 0.532 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.288 12.746 -0.620 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.829 11.378 -1.615 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.644 12.729 -3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.353 13.607 -2.590 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.812 15.242 -1.720 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.219 14.206 -1.854 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.589 14.754 -4.042 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.882 14.755 -4.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.823 16.966 -4.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.662 16.923 -3.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.315 16.922 -2.984 1.00 0.00 H new ATOM 1097 N GLU A 69 -0.587 13.721 -1.099 1.00 0.00 N ATOM 1098 CA GLU A 69 -1.366 14.951 -1.077 1.00 0.00 C ATOM 1099 C GLU A 69 -2.144 15.080 0.227 1.00 0.00 C ATOM 1100 O GLU A 69 -2.153 16.139 0.857 1.00 0.00 O ATOM 1101 CB GLU A 69 -2.329 14.987 -2.263 1.00 0.00 C ATOM 1102 CG GLU A 69 -2.975 16.344 -2.482 1.00 0.00 C ATOM 1103 CD GLU A 69 -3.688 16.444 -3.816 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -4.375 15.472 -4.196 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -3.562 17.493 -4.481 1.00 0.00 O ATOM 0 H GLU A 69 -0.943 13.012 -1.740 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.675 15.791 -1.151 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.790 14.701 -3.166 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.110 14.243 -2.108 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.686 16.537 -1.679 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.211 17.119 -2.424 1.00 0.00 H new ATOM 1112 N ASN A 70 -2.802 13.997 0.619 1.00 0.00 N ATOM 1113 CA ASN A 70 -3.595 13.979 1.844 1.00 0.00 C ATOM 1114 C ASN A 70 -2.973 13.056 2.891 1.00 0.00 C ATOM 1115 O ASN A 70 -3.568 12.804 3.939 1.00 0.00 O ATOM 1116 CB ASN A 70 -5.036 13.537 1.546 1.00 0.00 C ATOM 1117 CG ASN A 70 -5.174 12.839 0.204 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -5.528 11.662 0.137 1.00 0.00 O ATOM 1119 ND2 ASN A 70 -4.891 13.566 -0.873 1.00 0.00 N ATOM 0 H ASN A 70 -2.803 13.116 0.105 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.609 14.992 2.245 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.376 12.866 2.335 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.690 14.409 1.565 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.964 13.151 -1.802 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.601 14.539 -0.770 1.00 0.00 H new ATOM 1126 N SER A 71 -1.774 12.556 2.604 1.00 0.00 N ATOM 1127 CA SER A 71 -1.079 11.666 3.524 1.00 0.00 C ATOM 1128 C SER A 71 0.432 11.735 3.303 1.00 0.00 C ATOM 1129 O SER A 71 1.054 10.756 2.890 1.00 0.00 O ATOM 1130 CB SER A 71 -1.575 10.229 3.348 1.00 0.00 C ATOM 1131 OG SER A 71 -2.408 9.841 4.426 1.00 0.00 O ATOM 0 H SER A 71 -1.265 12.753 1.742 1.00 0.00 H new ATOM 0 HA SER A 71 -1.293 11.989 4.543 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.125 10.143 2.411 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.723 9.553 3.281 1.00 0.00 H new ATOM 0 HG SER A 71 -2.713 8.920 4.289 1.00 0.00 H new ATOM 1137 N PRO A 72 1.045 12.900 3.576 1.00 0.00 N ATOM 1138 CA PRO A 72 2.484 13.094 3.405 1.00 0.00 C ATOM 1139 C PRO A 72 3.289 12.408 4.501 1.00 0.00 C ATOM 1140 O PRO A 72 4.498 12.216 4.375 1.00 0.00 O ATOM 1141 CB PRO A 72 2.668 14.619 3.475 1.00 0.00 C ATOM 1142 CG PRO A 72 1.290 15.200 3.541 1.00 0.00 C ATOM 1143 CD PRO A 72 0.396 14.117 4.069 1.00 0.00 C ATOM 0 HA PRO A 72 2.840 12.661 2.470 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.252 14.901 4.351 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.205 14.987 2.601 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.268 16.073 4.193 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.960 15.529 2.556 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.338 14.133 5.157 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.623 14.214 3.694 1.00 0.00 H new ATOM 1151 N ASP A 73 2.604 12.041 5.573 1.00 0.00 N ATOM 1152 CA ASP A 73 3.240 11.371 6.701 1.00 0.00 C ATOM 1153 C ASP A 73 3.056 9.858 6.620 1.00 0.00 C ATOM 1154 O ASP A 73 3.667 9.107 7.381 1.00 0.00 O ATOM 1155 CB ASP A 73 2.674 11.895 8.020 1.00 0.00 C ATOM 1156 CG ASP A 73 3.490 11.452 9.219 1.00 0.00 C ATOM 1157 OD1 ASP A 73 3.242 10.339 9.727 1.00 0.00 O ATOM 1158 OD2 ASP A 73 4.377 12.219 9.649 1.00 0.00 O ATOM 0 H ASP A 73 1.602 12.196 5.687 1.00 0.00 H new ATOM 0 HA ASP A 73 4.307 11.588 6.659 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.640 12.984 7.990 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.647 11.547 8.135 1.00 0.00 H new ATOM 1163 N SER A 74 2.214 9.417 5.692 1.00 0.00 N ATOM 1164 CA SER A 74 1.952 7.994 5.509 1.00 0.00 C ATOM 1165 C SER A 74 3.066 7.344 4.695 1.00 0.00 C ATOM 1166 O SER A 74 4.070 7.982 4.381 1.00 0.00 O ATOM 1167 CB SER A 74 0.607 7.789 4.812 1.00 0.00 C ATOM 1168 OG SER A 74 0.315 6.412 4.653 1.00 0.00 O ATOM 0 H SER A 74 1.701 10.025 5.054 1.00 0.00 H new ATOM 0 HA SER A 74 1.918 7.522 6.491 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.183 8.266 5.393 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.623 8.275 3.836 1.00 0.00 H new ATOM 0 HG SER A 74 -0.592 6.230 4.977 1.00 0.00 H new ATOM 1174 N VAL A 75 2.882 6.073 4.353 1.00 0.00 N ATOM 1175 CA VAL A 75 3.875 5.347 3.574 1.00 0.00 C ATOM 1176 C VAL A 75 3.285 4.841 2.262 1.00 0.00 C ATOM 1177 O VAL A 75 2.073 4.677 2.132 1.00 0.00 O ATOM 1178 CB VAL A 75 4.459 4.156 4.360 1.00 0.00 C ATOM 1179 CG1 VAL A 75 5.597 3.510 3.581 1.00 0.00 C ATOM 1180 CG2 VAL A 75 4.933 4.605 5.734 1.00 0.00 C ATOM 0 H VAL A 75 2.057 5.527 4.603 1.00 0.00 H new ATOM 0 HA VAL A 75 4.678 6.052 3.359 1.00 0.00 H new ATOM 0 HB VAL A 75 3.673 3.413 4.496 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.998 2.671 4.150 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.224 3.152 2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.385 4.244 3.413 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.342 3.751 6.275 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.704 5.367 5.622 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.093 5.019 6.292 1.00 0.00 H new ATOM 1190 N VAL A 76 4.160 4.597 1.296 1.00 0.00 N ATOM 1191 CA VAL A 76 3.740 4.107 -0.012 1.00 0.00 C ATOM 1192 C VAL A 76 4.746 3.111 -0.573 1.00 0.00 C ATOM 1193 O VAL A 76 5.681 3.489 -1.278 1.00 0.00 O ATOM 1194 CB VAL A 76 3.551 5.256 -1.024 1.00 0.00 C ATOM 1195 CG1 VAL A 76 2.479 4.900 -2.041 1.00 0.00 C ATOM 1196 CG2 VAL A 76 3.207 6.557 -0.312 1.00 0.00 C ATOM 0 H VAL A 76 5.167 4.730 1.393 1.00 0.00 H new ATOM 0 HA VAL A 76 2.781 3.611 0.136 1.00 0.00 H new ATOM 0 HB VAL A 76 4.493 5.401 -1.553 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.359 5.722 -2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.773 3.999 -2.580 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.534 4.723 -1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.079 7.351 -1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.282 6.430 0.250 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.014 6.822 0.371 1.00 0.00 H new ATOM 1206 N ILE A 77 4.547 1.837 -0.256 1.00 0.00 N ATOM 1207 CA ILE A 77 5.437 0.787 -0.730 1.00 0.00 C ATOM 1208 C ILE A 77 5.103 0.393 -2.164 1.00 0.00 C ATOM 1209 O ILE A 77 5.994 0.250 -3.001 1.00 0.00 O ATOM 1210 CB ILE A 77 5.362 -0.463 0.168 1.00 0.00 C ATOM 1211 CG1 ILE A 77 5.473 -0.067 1.642 1.00 0.00 C ATOM 1212 CG2 ILE A 77 6.459 -1.450 -0.206 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.814 0.531 2.012 1.00 0.00 C ATOM 0 H ILE A 77 3.778 1.507 0.327 1.00 0.00 H new ATOM 0 HA ILE A 77 6.450 1.188 -0.693 1.00 0.00 H new ATOM 0 HB ILE A 77 4.397 -0.946 0.014 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.688 0.652 1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.295 -0.947 2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.393 -2.328 0.437 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.337 -1.752 -1.246 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.433 -0.978 -0.077 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.818 0.787 3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.603 -0.193 1.810 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.987 1.430 1.421 1.00 0.00 H new ATOM 1225 N VAL A 78 3.814 0.217 -2.443 1.00 0.00 N ATOM 1226 CA VAL A 78 3.364 -0.161 -3.779 1.00 0.00 C ATOM 1227 C VAL A 78 4.065 -1.434 -4.247 1.00 0.00 C ATOM 1228 O VAL A 78 5.220 -1.400 -4.670 1.00 0.00 O ATOM 1229 CB VAL A 78 3.621 0.973 -4.795 1.00 0.00 C ATOM 1230 CG1 VAL A 78 3.140 0.573 -6.182 1.00 0.00 C ATOM 1231 CG2 VAL A 78 2.943 2.256 -4.340 1.00 0.00 C ATOM 0 H VAL A 78 3.063 0.330 -1.762 1.00 0.00 H new ATOM 0 HA VAL A 78 2.291 -0.344 -3.723 1.00 0.00 H new ATOM 0 HB VAL A 78 4.695 1.151 -4.848 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.331 1.387 -6.882 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.674 -0.320 -6.509 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.070 0.365 -6.150 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.134 3.046 -5.067 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.869 2.090 -4.257 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.340 2.553 -3.369 1.00 0.00 H new ATOM 1241 N ILE A 79 3.361 -2.561 -4.155 1.00 0.00 N ATOM 1242 CA ILE A 79 3.924 -3.845 -4.557 1.00 0.00 C ATOM 1243 C ILE A 79 2.958 -4.637 -5.431 1.00 0.00 C ATOM 1244 O ILE A 79 1.743 -4.583 -5.241 1.00 0.00 O ATOM 1245 CB ILE A 79 4.291 -4.705 -3.331 1.00 0.00 C ATOM 1246 CG1 ILE A 79 4.913 -3.841 -2.234 1.00 0.00 C ATOM 1247 CG2 ILE A 79 5.238 -5.826 -3.733 1.00 0.00 C ATOM 1248 CD1 ILE A 79 5.064 -4.559 -0.912 1.00 0.00 C ATOM 0 H ILE A 79 2.404 -2.609 -3.807 1.00 0.00 H new ATOM 0 HA ILE A 79 4.823 -3.618 -5.129 1.00 0.00 H new ATOM 0 HB ILE A 79 3.378 -5.151 -2.937 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.893 -3.497 -2.565 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.297 -2.954 -2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.487 -6.424 -2.856 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.757 -6.459 -4.479 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.149 -5.400 -4.152 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.512 -3.885 -0.181 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.084 -4.879 -0.558 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.705 -5.431 -1.043 1.00 0.00 H new ATOM 1260 N THR A 80 3.513 -5.384 -6.383 1.00 0.00 N ATOM 1261 CA THR A 80 2.710 -6.204 -7.284 1.00 0.00 C ATOM 1262 C THR A 80 3.587 -7.195 -8.042 1.00 0.00 C ATOM 1263 O THR A 80 4.808 -7.045 -8.096 1.00 0.00 O ATOM 1264 CB THR A 80 1.943 -5.330 -8.278 1.00 0.00 C ATOM 1265 OG1 THR A 80 1.286 -4.266 -7.614 1.00 0.00 O ATOM 1266 CG2 THR A 80 0.900 -6.101 -9.058 1.00 0.00 C ATOM 0 H THR A 80 4.518 -5.438 -6.550 1.00 0.00 H new ATOM 0 HA THR A 80 1.994 -6.758 -6.677 1.00 0.00 H new ATOM 0 HB THR A 80 2.693 -4.951 -8.972 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.000 -4.562 -6.725 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.389 -5.428 -9.746 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.383 -6.899 -9.622 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.175 -6.533 -8.368 1.00 0.00 H new ATOM 1317 N VAL A 85 9.707 -3.554 -14.170 1.00 0.00 N ATOM 1318 CA VAL A 85 10.592 -2.805 -13.285 1.00 0.00 C ATOM 1319 C VAL A 85 10.470 -1.302 -13.523 1.00 0.00 C ATOM 1320 O VAL A 85 10.725 -0.499 -12.626 1.00 0.00 O ATOM 1321 CB VAL A 85 12.063 -3.230 -13.472 1.00 0.00 C ATOM 1322 CG1 VAL A 85 12.528 -2.947 -14.892 1.00 0.00 C ATOM 1323 CG2 VAL A 85 12.957 -2.528 -12.459 1.00 0.00 C ATOM 0 HA VAL A 85 10.284 -3.031 -12.264 1.00 0.00 H new ATOM 0 HB VAL A 85 12.134 -4.304 -13.301 1.00 0.00 H new ATOM 0 HG11 VAL A 85 13.568 -3.254 -15.002 1.00 0.00 H new ATOM 0 HG12 VAL A 85 11.909 -3.504 -15.595 1.00 0.00 H new ATOM 0 HG13 VAL A 85 12.441 -1.880 -15.097 1.00 0.00 H new ATOM 0 HG21 VAL A 85 13.990 -2.841 -12.607 1.00 0.00 H new ATOM 0 HG22 VAL A 85 12.882 -1.449 -12.594 1.00 0.00 H new ATOM 0 HG23 VAL A 85 12.640 -2.791 -11.450 1.00 0.00 H new ATOM 1333 N ASP A 86 10.077 -0.929 -14.738 1.00 0.00 N ATOM 1334 CA ASP A 86 9.923 0.477 -15.094 1.00 0.00 C ATOM 1335 C ASP A 86 8.733 1.106 -14.370 1.00 0.00 C ATOM 1336 O ASP A 86 8.594 2.329 -14.344 1.00 0.00 O ATOM 1337 CB ASP A 86 9.750 0.626 -16.606 1.00 0.00 C ATOM 1338 CG ASP A 86 10.869 -0.037 -17.384 1.00 0.00 C ATOM 1339 OD1 ASP A 86 10.945 -1.283 -17.371 1.00 0.00 O ATOM 1340 OD2 ASP A 86 11.671 0.691 -18.007 1.00 0.00 O ATOM 0 H ASP A 86 9.860 -1.581 -15.492 1.00 0.00 H new ATOM 0 HA ASP A 86 10.827 1.000 -14.782 1.00 0.00 H new ATOM 0 HB2 ASP A 86 8.796 0.191 -16.904 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.711 1.685 -16.862 1.00 0.00 H new ATOM 1345 N THR A 87 7.886 0.273 -13.770 1.00 0.00 N ATOM 1346 CA THR A 87 6.727 0.771 -13.039 1.00 0.00 C ATOM 1347 C THR A 87 7.143 1.188 -11.635 1.00 0.00 C ATOM 1348 O THR A 87 6.634 2.164 -11.085 1.00 0.00 O ATOM 1349 CB THR A 87 5.617 -0.289 -12.987 1.00 0.00 C ATOM 1350 OG1 THR A 87 4.342 0.328 -12.937 1.00 0.00 O ATOM 1351 CG2 THR A 87 5.712 -1.228 -11.799 1.00 0.00 C ATOM 0 H THR A 87 7.980 -0.743 -13.776 1.00 0.00 H new ATOM 0 HA THR A 87 6.330 1.642 -13.561 1.00 0.00 H new ATOM 0 HB THR A 87 5.749 -0.876 -13.896 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.646 -0.361 -12.906 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.892 -1.946 -11.836 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.662 -1.761 -11.831 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.650 -0.653 -10.875 1.00 0.00 H new ATOM 1359 N ALA A 88 8.089 0.445 -11.071 1.00 0.00 N ATOM 1360 CA ALA A 88 8.599 0.738 -9.741 1.00 0.00 C ATOM 1361 C ALA A 88 9.186 2.137 -9.703 1.00 0.00 C ATOM 1362 O ALA A 88 8.769 2.984 -8.913 1.00 0.00 O ATOM 1363 CB ALA A 88 9.657 -0.281 -9.350 1.00 0.00 C ATOM 0 H ALA A 88 8.518 -0.366 -11.517 1.00 0.00 H new ATOM 0 HA ALA A 88 7.775 0.682 -9.029 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.032 -0.052 -8.352 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.219 -1.279 -9.353 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.480 -0.244 -10.064 1.00 0.00 H new ATOM 1369 N VAL A 89 10.159 2.366 -10.574 1.00 0.00 N ATOM 1370 CA VAL A 89 10.816 3.659 -10.666 1.00 0.00 C ATOM 1371 C VAL A 89 9.809 4.763 -10.981 1.00 0.00 C ATOM 1372 O VAL A 89 10.035 5.931 -10.662 1.00 0.00 O ATOM 1373 CB VAL A 89 11.920 3.648 -11.742 1.00 0.00 C ATOM 1374 CG1 VAL A 89 12.924 2.542 -11.460 1.00 0.00 C ATOM 1375 CG2 VAL A 89 11.320 3.484 -13.132 1.00 0.00 C ATOM 0 H VAL A 89 10.511 1.668 -11.229 1.00 0.00 H new ATOM 0 HA VAL A 89 11.272 3.860 -9.696 1.00 0.00 H new ATOM 0 HB VAL A 89 12.440 4.605 -11.708 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.697 2.548 -12.229 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.381 2.706 -10.484 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.415 1.578 -11.465 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.118 3.479 -13.874 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.771 2.544 -13.183 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.641 4.312 -13.335 1.00 0.00 H new ATOM 1385 N LYS A 90 8.692 4.385 -11.600 1.00 0.00 N ATOM 1386 CA LYS A 90 7.647 5.342 -11.946 1.00 0.00 C ATOM 1387 C LYS A 90 6.642 5.473 -10.806 1.00 0.00 C ATOM 1388 O LYS A 90 5.437 5.561 -11.031 1.00 0.00 O ATOM 1389 CB LYS A 90 6.933 4.906 -13.226 1.00 0.00 C ATOM 1390 CG LYS A 90 6.046 5.982 -13.831 1.00 0.00 C ATOM 1391 CD LYS A 90 5.142 5.412 -14.913 1.00 0.00 C ATOM 1392 CE LYS A 90 5.851 5.349 -16.256 1.00 0.00 C ATOM 1393 NZ LYS A 90 4.956 5.749 -17.377 1.00 0.00 N ATOM 0 H LYS A 90 8.489 3.423 -11.871 1.00 0.00 H new ATOM 0 HA LYS A 90 8.112 6.314 -12.114 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.678 4.606 -13.963 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.326 4.027 -13.011 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.438 6.437 -13.049 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.667 6.773 -14.252 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.815 4.413 -14.626 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.247 6.027 -15.002 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.723 6.003 -16.237 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.216 4.336 -16.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.478 5.692 -18.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.136 5.110 -17.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.628 6.725 -17.228 1.00 0.00 H new ATOM 1407 N ALA A 91 7.149 5.477 -9.579 1.00 0.00 N ATOM 1408 CA ALA A 91 6.303 5.590 -8.401 1.00 0.00 C ATOM 1409 C ALA A 91 7.145 5.810 -7.150 1.00 0.00 C ATOM 1410 O ALA A 91 6.803 6.623 -6.293 1.00 0.00 O ATOM 1411 CB ALA A 91 5.443 4.344 -8.250 1.00 0.00 C ATOM 0 H ALA A 91 8.146 5.403 -9.375 1.00 0.00 H new ATOM 0 HA ALA A 91 5.650 6.454 -8.528 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.814 4.441 -7.365 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.813 4.228 -9.132 1.00 0.00 H new ATOM 0 HB3 ALA A 91 6.085 3.469 -8.145 1.00 0.00 H new ATOM 1417 N ILE A 92 8.248 5.073 -7.055 1.00 0.00 N ATOM 1418 CA ILE A 92 9.143 5.177 -5.908 1.00 0.00 C ATOM 1419 C ILE A 92 9.908 6.497 -5.921 1.00 0.00 C ATOM 1420 O ILE A 92 10.289 7.015 -4.872 1.00 0.00 O ATOM 1421 CB ILE A 92 10.140 3.996 -5.852 1.00 0.00 C ATOM 1422 CG1 ILE A 92 11.277 4.177 -6.862 1.00 0.00 C ATOM 1423 CG2 ILE A 92 9.419 2.677 -6.103 1.00 0.00 C ATOM 1424 CD1 ILE A 92 12.276 3.040 -6.852 1.00 0.00 C ATOM 0 H ILE A 92 8.543 4.397 -7.759 1.00 0.00 H new ATOM 0 HA ILE A 92 8.517 5.141 -5.016 1.00 0.00 H new ATOM 0 HB ILE A 92 10.576 3.977 -4.853 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.853 4.270 -7.862 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.798 5.110 -6.648 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.136 1.857 -6.060 1.00 0.00 H new ATOM 0 HG22 ILE A 92 8.653 2.530 -5.341 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.952 2.699 -7.088 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.054 3.233 -7.591 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.727 2.960 -5.863 1.00 0.00 H new ATOM 0 HD13 ILE A 92 11.768 2.107 -7.095 1.00 0.00 H new ATOM 1436 N LYS A 93 10.125 7.038 -7.115 1.00 0.00 N ATOM 1437 CA LYS A 93 10.838 8.302 -7.261 1.00 0.00 C ATOM 1438 C LYS A 93 9.865 9.478 -7.282 1.00 0.00 C ATOM 1439 O LYS A 93 10.202 10.566 -7.749 1.00 0.00 O ATOM 1440 CB LYS A 93 11.674 8.294 -8.541 1.00 0.00 C ATOM 1441 CG LYS A 93 13.094 7.788 -8.337 1.00 0.00 C ATOM 1442 CD LYS A 93 13.256 6.362 -8.837 1.00 0.00 C ATOM 1443 CE LYS A 93 14.617 5.795 -8.467 1.00 0.00 C ATOM 1444 NZ LYS A 93 15.632 6.052 -9.526 1.00 0.00 N ATOM 0 H LYS A 93 9.818 6.622 -7.994 1.00 0.00 H new ATOM 0 HA LYS A 93 11.500 8.418 -6.403 1.00 0.00 H new ATOM 0 HB2 LYS A 93 11.178 7.670 -9.285 1.00 0.00 H new ATOM 0 HB3 LYS A 93 11.712 9.305 -8.947 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.792 8.440 -8.862 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.349 7.834 -7.278 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.472 5.735 -8.413 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.133 6.338 -9.920 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.952 6.237 -7.529 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.530 4.721 -8.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 16.546 5.650 -9.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.326 5.609 -10.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.734 7.077 -9.667 1.00 0.00 H new ATOM 1458 N LYS A 94 8.655 9.253 -6.773 1.00 0.00 N ATOM 1459 CA LYS A 94 7.636 10.295 -6.735 1.00 0.00 C ATOM 1460 C LYS A 94 7.112 10.514 -5.316 1.00 0.00 C ATOM 1461 O LYS A 94 6.257 11.372 -5.091 1.00 0.00 O ATOM 1462 CB LYS A 94 6.482 9.937 -7.666 1.00 0.00 C ATOM 1463 CG LYS A 94 5.834 11.145 -8.323 1.00 0.00 C ATOM 1464 CD LYS A 94 6.720 11.726 -9.414 1.00 0.00 C ATOM 1465 CE LYS A 94 6.781 13.242 -9.335 1.00 0.00 C ATOM 1466 NZ LYS A 94 8.076 13.775 -9.843 1.00 0.00 N ATOM 0 H LYS A 94 8.359 8.359 -6.382 1.00 0.00 H new ATOM 0 HA LYS A 94 8.097 11.224 -7.071 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.847 9.264 -8.442 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.726 9.392 -7.101 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.872 10.858 -8.748 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.635 11.907 -7.570 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.726 11.315 -9.324 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.340 11.427 -10.391 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.961 13.669 -9.913 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.640 13.557 -8.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.076 14.813 -9.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.857 13.389 -9.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.200 13.496 -10.837 1.00 0.00 H new ATOM 1480 N GLY A 95 7.628 9.746 -4.358 1.00 0.00 N ATOM 1481 CA GLY A 95 7.191 9.894 -2.981 1.00 0.00 C ATOM 1482 C GLY A 95 6.868 8.573 -2.300 1.00 0.00 C ATOM 1483 O GLY A 95 6.291 8.563 -1.212 1.00 0.00 O ATOM 0 H GLY A 95 8.337 9.028 -4.510 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.970 10.405 -2.414 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.308 10.532 -2.955 1.00 0.00 H new ATOM 1487 N ALA A 96 7.235 7.454 -2.926 1.00 0.00 N ATOM 1488 CA ALA A 96 6.967 6.143 -2.344 1.00 0.00 C ATOM 1489 C ALA A 96 8.122 5.684 -1.460 1.00 0.00 C ATOM 1490 O ALA A 96 9.015 6.464 -1.132 1.00 0.00 O ATOM 1491 CB ALA A 96 6.684 5.114 -3.432 1.00 0.00 C ATOM 0 H ALA A 96 7.714 7.431 -3.826 1.00 0.00 H new ATOM 0 HA ALA A 96 6.080 6.234 -1.718 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.487 4.145 -2.974 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.814 5.426 -4.010 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.548 5.035 -4.091 1.00 0.00 H new ATOM 1497 N TYR A 97 8.090 4.413 -1.069 1.00 0.00 N ATOM 1498 CA TYR A 97 9.127 3.849 -0.214 1.00 0.00 C ATOM 1499 C TYR A 97 9.897 2.746 -0.930 1.00 0.00 C ATOM 1500 O TYR A 97 10.429 1.836 -0.296 1.00 0.00 O ATOM 1501 CB TYR A 97 8.502 3.295 1.061 1.00 0.00 C ATOM 1502 CG TYR A 97 9.491 3.097 2.185 1.00 0.00 C ATOM 1503 CD1 TYR A 97 10.141 4.179 2.761 1.00 0.00 C ATOM 1504 CD2 TYR A 97 9.771 1.827 2.671 1.00 0.00 C ATOM 1505 CE1 TYR A 97 11.045 4.002 3.791 1.00 0.00 C ATOM 1506 CE2 TYR A 97 10.673 1.641 3.700 1.00 0.00 C ATOM 1507 CZ TYR A 97 11.307 2.730 4.257 1.00 0.00 C ATOM 1508 OH TYR A 97 12.207 2.549 5.283 1.00 0.00 O ATOM 0 H TYR A 97 7.356 3.755 -1.331 1.00 0.00 H new ATOM 0 HA TYR A 97 9.828 4.645 0.036 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.717 3.973 1.395 1.00 0.00 H new ATOM 0 HB3 TYR A 97 8.025 2.341 0.836 1.00 0.00 H new ATOM 0 HD1 TYR A 97 9.937 5.176 2.398 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.276 0.971 2.237 1.00 0.00 H new ATOM 0 HE1 TYR A 97 11.544 4.854 4.229 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.880 0.646 4.066 1.00 0.00 H new ATOM 0 HH TYR A 97 11.787 2.796 6.134 1.00 0.00 H new ATOM 1518 N GLU A 98 9.947 2.839 -2.254 1.00 0.00 N ATOM 1519 CA GLU A 98 10.647 1.857 -3.085 1.00 0.00 C ATOM 1520 C GLU A 98 9.804 0.599 -3.277 1.00 0.00 C ATOM 1521 O GLU A 98 9.129 0.143 -2.354 1.00 0.00 O ATOM 1522 CB GLU A 98 12.027 1.511 -2.492 1.00 0.00 C ATOM 1523 CG GLU A 98 12.071 0.219 -1.681 1.00 0.00 C ATOM 1524 CD GLU A 98 12.512 -0.975 -2.507 1.00 0.00 C ATOM 1525 OE1 GLU A 98 12.535 -0.862 -3.751 1.00 0.00 O ATOM 1526 OE2 GLU A 98 12.835 -2.022 -1.909 1.00 0.00 O ATOM 0 H GLU A 98 9.507 3.592 -2.783 1.00 0.00 H new ATOM 0 HA GLU A 98 10.807 2.306 -4.065 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.748 1.437 -3.306 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.349 2.334 -1.855 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.753 0.346 -0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.083 0.023 -1.264 1.00 0.00 H new ATOM 1533 N PHE A 99 9.848 0.049 -4.485 1.00 0.00 N ATOM 1534 CA PHE A 99 9.090 -1.152 -4.811 1.00 0.00 C ATOM 1535 C PHE A 99 9.623 -2.362 -4.050 1.00 0.00 C ATOM 1536 O PHE A 99 10.822 -2.640 -4.064 1.00 0.00 O ATOM 1537 CB PHE A 99 9.148 -1.414 -6.317 1.00 0.00 C ATOM 1538 CG PHE A 99 7.826 -1.247 -7.012 1.00 0.00 C ATOM 1539 CD1 PHE A 99 7.080 -0.092 -6.840 1.00 0.00 C ATOM 1540 CD2 PHE A 99 7.333 -2.241 -7.843 1.00 0.00 C ATOM 1541 CE1 PHE A 99 5.868 0.069 -7.484 1.00 0.00 C ATOM 1542 CE2 PHE A 99 6.120 -2.086 -8.488 1.00 0.00 C ATOM 1543 CZ PHE A 99 5.387 -0.929 -8.309 1.00 0.00 C ATOM 0 H PHE A 99 10.403 0.418 -5.257 1.00 0.00 H new ATOM 0 HA PHE A 99 8.054 -0.992 -4.512 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.873 -0.736 -6.767 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.512 -2.427 -6.487 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.450 0.691 -6.195 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.903 -3.147 -7.988 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.297 0.975 -7.342 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.746 -2.869 -9.131 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.440 -0.805 -8.813 1.00 0.00 H new ATOM 1553 N LEU A 100 8.721 -3.082 -3.392 1.00 0.00 N ATOM 1554 CA LEU A 100 9.089 -4.266 -2.631 1.00 0.00 C ATOM 1555 C LEU A 100 9.469 -5.407 -3.569 1.00 0.00 C ATOM 1556 O LEU A 100 8.607 -6.011 -4.208 1.00 0.00 O ATOM 1557 CB LEU A 100 7.923 -4.686 -1.732 1.00 0.00 C ATOM 1558 CG LEU A 100 8.300 -5.530 -0.515 1.00 0.00 C ATOM 1559 CD1 LEU A 100 9.189 -6.690 -0.925 1.00 0.00 C ATOM 1560 CD2 LEU A 100 8.983 -4.673 0.538 1.00 0.00 C ATOM 0 H LEU A 100 7.725 -2.863 -3.372 1.00 0.00 H new ATOM 0 HA LEU A 100 9.953 -4.031 -2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.413 -3.787 -1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.207 -5.247 -2.333 1.00 0.00 H new ATOM 0 HG LEU A 100 7.387 -5.938 -0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.447 -7.279 -0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.659 -7.319 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.100 -6.306 -1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.244 -5.291 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.888 -4.234 0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 100 8.307 -3.878 0.855 1.00 0.00 H new ATOM 1572 N GLU A 101 10.763 -5.697 -3.649 1.00 0.00 N ATOM 1573 CA GLU A 101 11.255 -6.766 -4.511 1.00 0.00 C ATOM 1574 C GLU A 101 11.024 -8.132 -3.872 1.00 0.00 C ATOM 1575 O GLU A 101 11.972 -8.809 -3.469 1.00 0.00 O ATOM 1576 CB GLU A 101 12.743 -6.565 -4.805 1.00 0.00 C ATOM 1577 CG GLU A 101 13.013 -5.856 -6.122 1.00 0.00 C ATOM 1578 CD GLU A 101 14.441 -5.361 -6.237 1.00 0.00 C ATOM 1579 OE1 GLU A 101 15.315 -5.896 -5.521 1.00 0.00 O ATOM 1580 OE2 GLU A 101 14.687 -4.440 -7.044 1.00 0.00 O ATOM 0 H GLU A 101 11.490 -5.207 -3.128 1.00 0.00 H new ATOM 0 HA GLU A 101 10.700 -6.730 -5.449 1.00 0.00 H new ATOM 0 HB2 GLU A 101 13.191 -5.990 -3.994 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.237 -7.537 -4.817 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.801 -6.537 -6.947 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.331 -5.012 -6.222 1.00 0.00 H new ATOM 1654 N VAL A 106 4.830 -11.026 -0.157 1.00 0.00 N ATOM 1655 CA VAL A 106 5.000 -9.798 0.626 1.00 0.00 C ATOM 1656 C VAL A 106 5.709 -10.062 1.957 1.00 0.00 C ATOM 1657 O VAL A 106 5.516 -9.337 2.935 1.00 0.00 O ATOM 1658 CB VAL A 106 3.649 -9.080 0.872 1.00 0.00 C ATOM 1659 CG1 VAL A 106 2.830 -9.032 -0.408 1.00 0.00 C ATOM 1660 CG2 VAL A 106 2.851 -9.740 1.986 1.00 0.00 C ATOM 0 HA VAL A 106 5.632 -9.139 0.031 1.00 0.00 H new ATOM 0 HB VAL A 106 3.874 -8.061 1.188 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.885 -8.524 -0.216 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.384 -8.490 -1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.633 -10.047 -0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.911 -9.206 2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.643 -10.776 1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.426 -9.711 2.912 1.00 0.00 H new ATOM 1670 N GLU A 107 6.548 -11.096 1.983 1.00 0.00 N ATOM 1671 CA GLU A 107 7.295 -11.434 3.184 1.00 0.00 C ATOM 1672 C GLU A 107 8.256 -10.306 3.524 1.00 0.00 C ATOM 1673 O GLU A 107 8.315 -9.847 4.664 1.00 0.00 O ATOM 1674 CB GLU A 107 8.058 -12.740 2.990 1.00 0.00 C ATOM 1675 CG GLU A 107 8.257 -13.523 4.276 1.00 0.00 C ATOM 1676 CD GLU A 107 9.498 -14.394 4.243 1.00 0.00 C ATOM 1677 OE1 GLU A 107 10.508 -13.966 3.646 1.00 0.00 O ATOM 1678 OE2 GLU A 107 9.460 -15.504 4.814 1.00 0.00 O ATOM 0 H GLU A 107 6.724 -11.710 1.187 1.00 0.00 H new ATOM 0 HA GLU A 107 6.595 -11.567 4.009 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.521 -13.362 2.275 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.032 -12.521 2.553 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.328 -12.828 5.113 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.383 -14.149 4.455 1.00 0.00 H new ATOM 1685 N ARG A 108 8.989 -9.842 2.514 1.00 0.00 N ATOM 1686 CA ARG A 108 9.924 -8.743 2.700 1.00 0.00 C ATOM 1687 C ARG A 108 9.154 -7.489 3.090 1.00 0.00 C ATOM 1688 O ARG A 108 9.624 -6.675 3.883 1.00 0.00 O ATOM 1689 CB ARG A 108 10.732 -8.496 1.423 1.00 0.00 C ATOM 1690 CG ARG A 108 12.223 -8.740 1.592 1.00 0.00 C ATOM 1691 CD ARG A 108 12.956 -7.467 1.988 1.00 0.00 C ATOM 1692 NE ARG A 108 13.545 -7.565 3.322 1.00 0.00 N ATOM 1693 CZ ARG A 108 14.701 -8.172 3.579 1.00 0.00 C ATOM 1694 NH1 ARG A 108 15.391 -8.746 2.601 1.00 0.00 N ATOM 1695 NH2 ARG A 108 15.169 -8.207 4.820 1.00 0.00 N ATOM 0 H ARG A 108 8.952 -10.210 1.564 1.00 0.00 H new ATOM 0 HA ARG A 108 10.623 -9.002 3.495 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.353 -9.143 0.632 1.00 0.00 H new ATOM 0 HB3 ARG A 108 10.575 -7.468 1.096 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.384 -9.505 2.352 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.638 -9.125 0.660 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.740 -7.259 1.260 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.263 -6.626 1.959 1.00 0.00 H new ATOM 0 HE ARG A 108 13.040 -7.143 4.102 1.00 0.00 H new ATOM 0 HH11 ARG A 108 15.036 -8.724 1.645 1.00 0.00 H new ATOM 0 HH12 ARG A 108 16.276 -9.209 2.805 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.643 -7.769 5.576 1.00 0.00 H new ATOM 0 HH22 ARG A 108 16.055 -8.672 5.018 1.00 0.00 H new ATOM 1709 N PHE A 109 7.945 -7.360 2.540 1.00 0.00 N ATOM 1710 CA PHE A 109 7.083 -6.226 2.844 1.00 0.00 C ATOM 1711 C PHE A 109 6.853 -6.155 4.350 1.00 0.00 C ATOM 1712 O PHE A 109 6.764 -5.072 4.930 1.00 0.00 O ATOM 1713 CB PHE A 109 5.745 -6.366 2.102 1.00 0.00 C ATOM 1714 CG PHE A 109 4.679 -5.425 2.587 1.00 0.00 C ATOM 1715 CD1 PHE A 109 4.955 -4.080 2.767 1.00 0.00 C ATOM 1716 CD2 PHE A 109 3.401 -5.887 2.864 1.00 0.00 C ATOM 1717 CE1 PHE A 109 3.978 -3.211 3.215 1.00 0.00 C ATOM 1718 CE2 PHE A 109 2.420 -5.023 3.311 1.00 0.00 C ATOM 1719 CZ PHE A 109 2.708 -3.684 3.487 1.00 0.00 C ATOM 0 H PHE A 109 7.545 -8.029 1.882 1.00 0.00 H new ATOM 0 HA PHE A 109 7.564 -5.305 2.513 1.00 0.00 H new ATOM 0 HB2 PHE A 109 5.911 -6.195 1.038 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.387 -7.390 2.208 1.00 0.00 H new ATOM 0 HD1 PHE A 109 5.946 -3.706 2.555 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.170 -6.933 2.729 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.206 -2.164 3.352 1.00 0.00 H new ATOM 0 HE2 PHE A 109 1.428 -5.395 3.523 1.00 0.00 H new ATOM 0 HZ PHE A 109 1.942 -3.007 3.837 1.00 0.00 H new ATOM 1729 N LEU A 110 6.772 -7.327 4.972 1.00 0.00 N ATOM 1730 CA LEU A 110 6.568 -7.428 6.412 1.00 0.00 C ATOM 1731 C LEU A 110 7.659 -6.682 7.173 1.00 0.00 C ATOM 1732 O LEU A 110 7.377 -5.838 8.022 1.00 0.00 O ATOM 1733 CB LEU A 110 6.561 -8.891 6.834 1.00 0.00 C ATOM 1734 CG LEU A 110 5.615 -9.226 7.985 1.00 0.00 C ATOM 1735 CD1 LEU A 110 5.410 -10.727 8.076 1.00 0.00 C ATOM 1736 CD2 LEU A 110 6.156 -8.676 9.296 1.00 0.00 C ATOM 0 H LEU A 110 6.845 -8.226 4.496 1.00 0.00 H new ATOM 0 HA LEU A 110 5.607 -6.973 6.651 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.291 -9.501 5.972 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.573 -9.176 7.121 1.00 0.00 H new ATOM 0 HG LEU A 110 4.650 -8.757 7.792 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.734 -10.953 8.901 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.980 -11.093 7.144 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.369 -11.215 8.249 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.469 -8.924 10.105 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.132 -9.116 9.500 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.255 -7.593 9.223 1.00 0.00 H new ATOM 1748 N LEU A 111 8.910 -7.008 6.863 1.00 0.00 N ATOM 1749 CA LEU A 111 10.053 -6.379 7.516 1.00 0.00 C ATOM 1750 C LEU A 111 10.059 -4.870 7.291 1.00 0.00 C ATOM 1751 O LEU A 111 10.329 -4.098 8.211 1.00 0.00 O ATOM 1752 CB LEU A 111 11.358 -6.984 7.000 1.00 0.00 C ATOM 1753 CG LEU A 111 11.591 -8.448 7.383 1.00 0.00 C ATOM 1754 CD1 LEU A 111 11.208 -9.370 6.235 1.00 0.00 C ATOM 1755 CD2 LEU A 111 13.042 -8.670 7.785 1.00 0.00 C ATOM 0 H LEU A 111 9.158 -7.706 6.162 1.00 0.00 H new ATOM 0 HA LEU A 111 9.968 -6.565 8.587 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.374 -6.902 5.913 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.190 -6.389 7.377 1.00 0.00 H new ATOM 0 HG LEU A 111 10.957 -8.684 8.238 1.00 0.00 H new ATOM 0 HD11 LEU A 111 11.381 -10.406 6.527 1.00 0.00 H new ATOM 0 HD12 LEU A 111 10.154 -9.232 5.994 1.00 0.00 H new ATOM 0 HD13 LEU A 111 11.814 -9.134 5.361 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.189 -9.716 8.054 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.694 -8.415 6.950 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.283 -8.038 8.640 1.00 0.00 H new ATOM 1767 N THR A 112 9.764 -4.455 6.064 1.00 0.00 N ATOM 1768 CA THR A 112 9.740 -3.037 5.723 1.00 0.00 C ATOM 1769 C THR A 112 8.634 -2.313 6.485 1.00 0.00 C ATOM 1770 O THR A 112 8.821 -1.189 6.951 1.00 0.00 O ATOM 1771 CB THR A 112 9.541 -2.860 4.217 1.00 0.00 C ATOM 1772 OG1 THR A 112 10.580 -3.499 3.496 1.00 0.00 O ATOM 1773 CG2 THR A 112 9.505 -1.412 3.782 1.00 0.00 C ATOM 0 H THR A 112 9.538 -5.079 5.290 1.00 0.00 H new ATOM 0 HA THR A 112 10.697 -2.601 6.010 1.00 0.00 H new ATOM 0 HB THR A 112 8.573 -3.311 4.000 1.00 0.00 H new ATOM 0 HG1 THR A 112 10.417 -4.465 3.475 1.00 0.00 H new ATOM 0 HG21 THR A 112 9.361 -1.360 2.703 1.00 0.00 H new ATOM 0 HG22 THR A 112 8.682 -0.902 4.283 1.00 0.00 H new ATOM 0 HG23 THR A 112 10.446 -0.929 4.047 1.00 0.00 H new ATOM 1781 N ILE A 113 7.480 -2.965 6.600 1.00 0.00 N ATOM 1782 CA ILE A 113 6.331 -2.393 7.298 1.00 0.00 C ATOM 1783 C ILE A 113 6.738 -1.735 8.616 1.00 0.00 C ATOM 1784 O ILE A 113 6.412 -0.574 8.865 1.00 0.00 O ATOM 1785 CB ILE A 113 5.255 -3.474 7.563 1.00 0.00 C ATOM 1786 CG1 ILE A 113 4.269 -3.537 6.395 1.00 0.00 C ATOM 1787 CG2 ILE A 113 4.519 -3.214 8.871 1.00 0.00 C ATOM 1788 CD1 ILE A 113 3.526 -2.239 6.158 1.00 0.00 C ATOM 0 H ILE A 113 7.315 -3.896 6.216 1.00 0.00 H new ATOM 0 HA ILE A 113 5.913 -1.623 6.649 1.00 0.00 H new ATOM 0 HB ILE A 113 5.758 -4.437 7.651 1.00 0.00 H new ATOM 0 HG12 ILE A 113 4.810 -3.807 5.488 1.00 0.00 H new ATOM 0 HG13 ILE A 113 3.546 -4.331 6.583 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.770 -3.991 9.028 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.230 -3.224 9.697 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.029 -2.241 8.826 1.00 0.00 H new ATOM 0 HD11 ILE A 113 2.845 -2.358 5.315 1.00 0.00 H new ATOM 0 HD12 ILE A 113 2.957 -1.977 7.050 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.240 -1.446 5.938 1.00 0.00 H new ATOM 1800 N LYS A 114 7.449 -2.479 9.457 1.00 0.00 N ATOM 1801 CA LYS A 114 7.892 -1.960 10.746 1.00 0.00 C ATOM 1802 C LYS A 114 8.516 -0.584 10.575 1.00 0.00 C ATOM 1803 O LYS A 114 8.084 0.389 11.193 1.00 0.00 O ATOM 1804 CB LYS A 114 8.896 -2.914 11.388 1.00 0.00 C ATOM 1805 CG LYS A 114 8.999 -2.765 12.898 1.00 0.00 C ATOM 1806 CD LYS A 114 9.838 -1.559 13.286 1.00 0.00 C ATOM 1807 CE LYS A 114 11.251 -1.662 12.735 1.00 0.00 C ATOM 1808 NZ LYS A 114 12.250 -1.038 13.647 1.00 0.00 N ATOM 0 H LYS A 114 7.730 -3.441 9.270 1.00 0.00 H new ATOM 0 HA LYS A 114 7.024 -1.874 11.400 1.00 0.00 H new ATOM 0 HB2 LYS A 114 8.613 -3.939 11.151 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.878 -2.745 10.947 1.00 0.00 H new ATOM 0 HG2 LYS A 114 8.000 -2.666 13.323 1.00 0.00 H new ATOM 0 HG3 LYS A 114 9.439 -3.667 13.324 1.00 0.00 H new ATOM 0 HD2 LYS A 114 9.366 -0.651 12.912 1.00 0.00 H new ATOM 0 HD3 LYS A 114 9.875 -1.475 14.372 1.00 0.00 H new ATOM 0 HE2 LYS A 114 11.505 -2.711 12.581 1.00 0.00 H new ATOM 0 HE3 LYS A 114 11.297 -1.177 11.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 13.201 -1.129 13.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 12.023 -0.031 13.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 12.225 -1.517 14.570 1.00 0.00 H new ATOM 1822 N HIS A 115 9.534 -0.515 9.730 1.00 0.00 N ATOM 1823 CA HIS A 115 10.226 0.742 9.469 1.00 0.00 C ATOM 1824 C HIS A 115 9.271 1.782 8.892 1.00 0.00 C ATOM 1825 O HIS A 115 9.422 2.979 9.138 1.00 0.00 O ATOM 1826 CB HIS A 115 11.391 0.515 8.508 1.00 0.00 C ATOM 1827 CG HIS A 115 12.423 1.599 8.549 1.00 0.00 C ATOM 1828 ND1 HIS A 115 12.107 2.941 8.592 1.00 0.00 N ATOM 1829 CD2 HIS A 115 13.776 1.533 8.554 1.00 0.00 C ATOM 1830 CE1 HIS A 115 13.219 3.652 8.621 1.00 0.00 C ATOM 1831 NE2 HIS A 115 14.245 2.823 8.599 1.00 0.00 N ATOM 0 H HIS A 115 9.900 -1.314 9.212 1.00 0.00 H new ATOM 0 HA HIS A 115 10.612 1.118 10.416 1.00 0.00 H new ATOM 0 HB2 HIS A 115 11.866 -0.437 8.745 1.00 0.00 H new ATOM 0 HB3 HIS A 115 11.003 0.433 7.493 1.00 0.00 H new ATOM 0 HD1 HIS A 115 11.162 3.324 8.600 1.00 0.00 H new ATOM 0 HD2 HIS A 115 14.374 0.634 8.528 1.00 0.00 H new ATOM 0 HE1 HIS A 115 13.279 4.730 8.657 1.00 0.00 H new ATOM 1840 N ALA A 116 8.287 1.322 8.123 1.00 0.00 N ATOM 1841 CA ALA A 116 7.313 2.220 7.515 1.00 0.00 C ATOM 1842 C ALA A 116 6.557 3.010 8.580 1.00 0.00 C ATOM 1843 O ALA A 116 6.274 4.195 8.405 1.00 0.00 O ATOM 1844 CB ALA A 116 6.341 1.436 6.642 1.00 0.00 C ATOM 0 H ALA A 116 8.145 0.335 7.908 1.00 0.00 H new ATOM 0 HA ALA A 116 7.852 2.930 6.887 1.00 0.00 H new ATOM 0 HB1 ALA A 116 5.620 2.120 6.195 1.00 0.00 H new ATOM 0 HB2 ALA A 116 6.892 0.924 5.853 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.815 0.702 7.252 1.00 0.00 H new ATOM 1850 N PHE A 117 6.235 2.343 9.683 1.00 0.00 N ATOM 1851 CA PHE A 117 5.513 2.979 10.779 1.00 0.00 C ATOM 1852 C PHE A 117 6.438 3.855 11.623 1.00 0.00 C ATOM 1853 O PHE A 117 5.974 4.653 12.438 1.00 0.00 O ATOM 1854 CB PHE A 117 4.855 1.917 11.660 1.00 0.00 C ATOM 1855 CG PHE A 117 3.568 1.387 11.098 1.00 0.00 C ATOM 1856 CD1 PHE A 117 3.574 0.418 10.109 1.00 0.00 C ATOM 1857 CD2 PHE A 117 2.351 1.860 11.558 1.00 0.00 C ATOM 1858 CE1 PHE A 117 2.392 -0.070 9.591 1.00 0.00 C ATOM 1859 CE2 PHE A 117 1.165 1.375 11.045 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.185 0.409 10.059 1.00 0.00 C ATOM 0 H PHE A 117 6.463 1.362 9.842 1.00 0.00 H new ATOM 0 HA PHE A 117 4.744 3.619 10.346 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.550 1.089 11.798 1.00 0.00 H new ATOM 0 HB3 PHE A 117 4.665 2.341 12.646 1.00 0.00 H new ATOM 0 HD1 PHE A 117 4.515 0.040 9.739 1.00 0.00 H new ATOM 0 HD2 PHE A 117 2.329 2.618 12.327 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.411 -0.826 8.820 1.00 0.00 H new ATOM 0 HE2 PHE A 117 0.222 1.751 11.415 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.258 0.029 9.655 1.00 0.00 H new ATOM 1870 N GLU A 118 7.746 3.703 11.429 1.00 0.00 N ATOM 1871 CA GLU A 118 8.726 4.481 12.179 1.00 0.00 C ATOM 1872 C GLU A 118 8.481 5.979 12.021 1.00 0.00 C ATOM 1873 O GLU A 118 8.764 6.763 12.927 1.00 0.00 O ATOM 1874 CB GLU A 118 10.139 4.132 11.720 1.00 0.00 C ATOM 1875 CG GLU A 118 11.203 4.397 12.772 1.00 0.00 C ATOM 1876 CD GLU A 118 12.485 4.951 12.181 1.00 0.00 C ATOM 1877 OE1 GLU A 118 12.422 6.003 11.510 1.00 0.00 O ATOM 1878 OE2 GLU A 118 13.549 4.333 12.388 1.00 0.00 O ATOM 0 H GLU A 118 8.150 3.049 10.759 1.00 0.00 H new ATOM 0 HA GLU A 118 8.619 4.229 13.234 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.171 3.079 11.440 1.00 0.00 H new ATOM 0 HB3 GLU A 118 10.374 4.708 10.825 1.00 0.00 H new ATOM 0 HG2 GLU A 118 10.813 5.100 13.508 1.00 0.00 H new ATOM 0 HG3 GLU A 118 11.423 3.470 13.302 1.00 0.00 H new