USER MOD reduce.3.24.130724 H: found=0, std=0, add=1078, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1072 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 129 HIS : no HD1:sc= 0.74 K(o=1.2,f=-3.9!) USER MOD Set 1.2: A 130 SER OG : rot -19:sc= 0.49 USER MOD Set 2.1: A 52 CYS SG : rot -11:sc= 0.842 USER MOD Set 2.2: A 54 HIS : no HD1:sc= -0.25 K(o=0.59,f=-1.8!) USER MOD Set 3.1: A 42 THR OG1 : rot -96:sc= 0.0119 USER MOD Set 3.2: A 44 MET CE :methyl -126:sc= -0.441 (180deg=-0.371) USER MOD Single : A 3 LYS NZ :NH3+ -174:sc= 1.32 (180deg=1.01) USER MOD Single : A 7 CYS SG : rot -8:sc= -0.235 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0.0395 USER MOD Single : A 13 SER OG : rot 169:sc= 1.11 USER MOD Single : A 19 THR OG1 : rot 120:sc= 0.217 USER MOD Single : A 20 SER OG : rot -125:sc= -0.0243 USER MOD Single : A 21 SER OG : rot -6:sc= 0.394 USER MOD Single : A 24 LYS NZ :NH3+ 165:sc= -0.0469 (180deg=-0.287) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= -1.42! K(o=-1.4!,f=-0.039) USER MOD Single : A 34 ASN : amide:sc= 1.08 K(o=1.1,f=-0.57) USER MOD Single : A 37 THR OG1 : rot -40:sc= 1.07 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -64:sc= 0.928 USER MOD Single : A 47 GLN : amide:sc= -2.59! C(o=-2.6!,f=-6!) USER MOD Single : A 55 LYS NZ :NH3+ -148:sc= 2.42 (180deg=1.3) USER MOD Single : A 56 HIS : no HD1:sc= -0.602 K(o=-0.6,f=-1.5!) USER MOD Single : A 65 GLN : amide:sc= -2.47! C(o=-2.5!,f=-4.6!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= -0.301 USER MOD Single : A 70 GLN : amide:sc= -0.0126 K(o=-0.013,f=-1) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0474 USER MOD Single : A 73 LYS NZ :NH3+ -134:sc= 0.699 (180deg=-1.03!) USER MOD Single : A 76 LYS NZ :NH3+ -158:sc= 0.797 (180deg=0.0229) USER MOD Single : A 77 SER OG : rot -69:sc= 0.0406 USER MOD Single : A 78 THR OG1 : rot -92:sc= 1.13 USER MOD Single : A 79 SER OG : rot 180:sc= -0.181 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -2.66! C(o=-2.7!,f=-6.8!) USER MOD Single : A 91 LYS NZ :NH3+ -150:sc= -0.285 (180deg=-2.74) USER MOD Single : A 95 HIS : no HE2:sc= 0.455 K(o=0.53,f=-3.3!) USER MOD Single : A 96 THR OG1 : rot 125:sc= 1.29 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 GLN : amide:sc= -0.0991 K(o=-0.099,f=-1.1) USER MOD Single : A 102 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.0045) USER MOD Single : A 108 HIS : no HD1:sc= -0.048 X(o=-0.048,f=-0.012) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 150:sc= 0.733 USER MOD Single : A 113 TYR OH : rot 39:sc= 1.28 USER MOD Single : A 120 SER OG : rot 180:sc= -0.0439 USER MOD Single : A 124 HIS : no HD1:sc= -0.248 X(o=-0.25,f=-0.12) USER MOD Single : A 127 SER OG : rot 33:sc= 0.563 USER MOD Single : A 132 SER OG : rot 171:sc= 0.943 USER MOD Single : A 136 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 35:sc= 0.587 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 2.260 -14.196 5.453 1.00 0.00 N ATOM 19 CA ARG A 2 1.078 -13.552 4.906 1.00 0.00 C ATOM 20 C ARG A 2 1.220 -12.047 5.058 1.00 0.00 C ATOM 21 O ARG A 2 1.820 -11.578 6.030 1.00 0.00 O ATOM 22 CB ARG A 2 -0.177 -14.065 5.611 1.00 0.00 C ATOM 23 CG ARG A 2 -0.227 -15.581 5.681 1.00 0.00 C ATOM 24 CD ARG A 2 -1.419 -16.076 6.478 1.00 0.00 C ATOM 25 NE ARG A 2 -1.357 -17.521 6.690 1.00 0.00 N ATOM 26 CZ ARG A 2 -2.301 -18.228 7.305 1.00 0.00 C ATOM 27 NH1 ARG A 2 -3.382 -17.627 7.785 1.00 0.00 N ATOM 28 NH2 ARG A 2 -2.151 -19.540 7.448 1.00 0.00 N ATOM 0 HA ARG A 2 0.981 -13.791 3.847 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -0.215 -13.657 6.621 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -1.060 -13.700 5.086 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -0.272 -15.989 4.671 1.00 0.00 H new ATOM 0 HG3 ARG A 2 0.692 -15.953 6.135 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -1.451 -15.567 7.441 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -2.340 -15.823 5.953 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.537 -18.019 6.344 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -3.492 -16.618 7.683 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -4.103 -18.174 8.256 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.315 -20.000 7.087 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.872 -20.087 7.919 1.00 0.00 H new ATOM 42 N LYS A 3 0.659 -11.304 4.107 1.00 0.00 N ATOM 43 CA LYS A 3 0.941 -9.880 3.957 1.00 0.00 C ATOM 44 C LYS A 3 2.371 -9.695 3.467 1.00 0.00 C ATOM 45 O LYS A 3 3.343 -9.903 4.197 1.00 0.00 O ATOM 46 CB LYS A 3 0.680 -9.086 5.254 1.00 0.00 C ATOM 47 CG LYS A 3 1.552 -7.841 5.426 1.00 0.00 C ATOM 48 CD LYS A 3 1.376 -6.831 4.299 1.00 0.00 C ATOM 49 CE LYS A 3 2.526 -5.830 4.280 1.00 0.00 C ATOM 50 NZ LYS A 3 2.377 -4.818 3.201 1.00 0.00 N ATOM 0 H LYS A 3 -0.001 -11.671 3.422 1.00 0.00 H new ATOM 0 HA LYS A 3 0.253 -9.475 3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -0.368 -8.785 5.276 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.840 -9.746 6.107 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.311 -7.363 6.376 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.599 -8.141 5.477 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.327 -7.352 3.343 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.431 -6.303 4.423 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.580 -5.324 5.244 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.467 -6.364 4.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.229 -4.223 3.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.250 -5.300 2.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.548 -4.222 3.396 1.00 0.00 H new ATOM 64 N ILE A 4 2.479 -9.329 2.211 1.00 0.00 N ATOM 65 CA ILE A 4 3.755 -9.081 1.584 1.00 0.00 C ATOM 66 C ILE A 4 3.562 -8.036 0.497 1.00 0.00 C ATOM 67 O ILE A 4 2.500 -7.980 -0.118 1.00 0.00 O ATOM 68 CB ILE A 4 4.343 -10.389 1.000 1.00 0.00 C ATOM 69 CG1 ILE A 4 5.671 -10.129 0.287 1.00 0.00 C ATOM 70 CG2 ILE A 4 3.347 -11.056 0.062 1.00 0.00 C ATOM 71 CD1 ILE A 4 6.324 -11.387 -0.245 1.00 0.00 C ATOM 0 H ILE A 4 1.679 -9.194 1.593 1.00 0.00 H new ATOM 0 HA ILE A 4 4.465 -8.711 2.324 1.00 0.00 H new ATOM 0 HB ILE A 4 4.538 -11.068 1.830 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.502 -9.439 -0.540 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.356 -9.637 0.978 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.781 -11.973 -0.337 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.435 -11.294 0.609 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.111 -10.379 -0.759 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.261 -11.130 -0.739 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.524 -12.070 0.581 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.657 -11.868 -0.961 1.00 0.00 H new ATOM 83 N ASP A 5 4.551 -7.180 0.303 1.00 0.00 N ATOM 84 CA ASP A 5 4.455 -6.128 -0.698 1.00 0.00 C ATOM 85 C ASP A 5 4.697 -6.704 -2.087 1.00 0.00 C ATOM 86 O ASP A 5 5.830 -6.787 -2.561 1.00 0.00 O ATOM 87 CB ASP A 5 5.432 -4.994 -0.385 1.00 0.00 C ATOM 88 CG ASP A 5 4.997 -4.173 0.817 1.00 0.00 C ATOM 89 OD1 ASP A 5 4.880 -4.741 1.925 1.00 0.00 O ATOM 90 OD2 ASP A 5 4.749 -2.960 0.653 1.00 0.00 O ATOM 0 H ASP A 5 5.428 -7.192 0.823 1.00 0.00 H new ATOM 0 HA ASP A 5 3.449 -5.709 -0.675 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.422 -5.411 -0.198 1.00 0.00 H new ATOM 0 HB3 ASP A 5 5.520 -4.343 -1.255 1.00 0.00 H new ATOM 95 N LEU A 6 3.608 -7.106 -2.724 1.00 0.00 N ATOM 96 CA LEU A 6 3.657 -7.861 -3.970 1.00 0.00 C ATOM 97 C LEU A 6 4.051 -7.005 -5.173 1.00 0.00 C ATOM 98 O LEU A 6 4.434 -7.535 -6.212 1.00 0.00 O ATOM 99 CB LEU A 6 2.297 -8.521 -4.212 1.00 0.00 C ATOM 100 CG LEU A 6 1.918 -9.591 -3.185 1.00 0.00 C ATOM 101 CD1 LEU A 6 0.425 -9.881 -3.224 1.00 0.00 C ATOM 102 CD2 LEU A 6 2.710 -10.862 -3.439 1.00 0.00 C ATOM 0 H LEU A 6 2.662 -6.918 -2.392 1.00 0.00 H new ATOM 0 HA LEU A 6 4.434 -8.618 -3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.528 -7.749 -4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.298 -8.972 -5.204 1.00 0.00 H new ATOM 0 HG LEU A 6 2.162 -9.213 -2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.183 -10.645 -2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.129 -8.970 -2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.149 -10.237 -4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.433 -11.617 -2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.491 -11.234 -4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.776 -10.649 -3.357 1.00 0.00 H new ATOM 114 N CYS A 7 3.974 -5.691 -5.036 1.00 0.00 N ATOM 115 CA CYS A 7 4.268 -4.799 -6.155 1.00 0.00 C ATOM 116 C CYS A 7 5.757 -4.483 -6.255 1.00 0.00 C ATOM 117 O CYS A 7 6.186 -3.799 -7.178 1.00 0.00 O ATOM 118 CB CYS A 7 3.461 -3.508 -6.045 1.00 0.00 C ATOM 119 SG CYS A 7 1.687 -3.734 -6.298 1.00 0.00 S ATOM 0 H CYS A 7 3.713 -5.218 -4.171 1.00 0.00 H new ATOM 0 HA CYS A 7 3.977 -5.321 -7.067 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.625 -3.071 -5.060 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.835 -2.793 -6.778 1.00 0.00 H new ATOM 0 HG CYS A 7 1.457 -4.950 -6.696 1.00 0.00 H new ATOM 125 N LEU A 8 6.543 -4.976 -5.307 1.00 0.00 N ATOM 126 CA LEU A 8 7.977 -4.719 -5.309 1.00 0.00 C ATOM 127 C LEU A 8 8.660 -5.434 -6.465 1.00 0.00 C ATOM 128 O LEU A 8 8.270 -6.537 -6.845 1.00 0.00 O ATOM 129 CB LEU A 8 8.612 -5.178 -3.993 1.00 0.00 C ATOM 130 CG LEU A 8 8.117 -4.461 -2.740 1.00 0.00 C ATOM 131 CD1 LEU A 8 8.871 -4.957 -1.514 1.00 0.00 C ATOM 132 CD2 LEU A 8 8.271 -2.959 -2.898 1.00 0.00 C ATOM 0 H LEU A 8 6.215 -5.552 -4.532 1.00 0.00 H new ATOM 0 HA LEU A 8 8.114 -3.644 -5.423 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.430 -6.246 -3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.691 -5.044 -4.065 1.00 0.00 H new ATOM 0 HG LEU A 8 7.059 -4.684 -2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.507 -4.437 -0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.710 -6.029 -1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.936 -4.761 -1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.914 -2.460 -1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.322 -2.716 -3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.688 -2.622 -3.755 1.00 0.00 H new ATOM 144 N SER A 9 9.694 -4.807 -7.012 1.00 0.00 N ATOM 145 CA SER A 9 10.524 -5.453 -8.018 1.00 0.00 C ATOM 146 C SER A 9 11.283 -6.602 -7.359 1.00 0.00 C ATOM 147 O SER A 9 11.729 -7.539 -8.019 1.00 0.00 O ATOM 148 CB SER A 9 11.494 -4.445 -8.644 1.00 0.00 C ATOM 149 OG SER A 9 12.154 -4.991 -9.774 1.00 0.00 O ATOM 0 H SER A 9 9.976 -3.856 -6.776 1.00 0.00 H new ATOM 0 HA SER A 9 9.896 -5.844 -8.819 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.949 -3.548 -8.938 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.232 -4.140 -7.902 1.00 0.00 H new ATOM 0 HG SER A 9 12.764 -4.323 -10.151 1.00 0.00 H new ATOM 155 N SER A 10 11.390 -6.525 -6.034 1.00 0.00 N ATOM 156 CA SER A 10 11.993 -7.576 -5.233 1.00 0.00 C ATOM 157 C SER A 10 11.124 -8.831 -5.274 1.00 0.00 C ATOM 158 O SER A 10 11.581 -9.938 -4.990 1.00 0.00 O ATOM 159 CB SER A 10 12.138 -7.080 -3.797 1.00 0.00 C ATOM 160 OG SER A 10 12.489 -5.705 -3.782 1.00 0.00 O ATOM 0 H SER A 10 11.059 -5.729 -5.489 1.00 0.00 H new ATOM 0 HA SER A 10 12.975 -7.826 -5.634 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.203 -7.229 -3.258 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.900 -7.662 -3.280 1.00 0.00 H new ATOM 0 HG SER A 10 12.577 -5.400 -2.855 1.00 0.00 H new ATOM 166 N GLU A 11 9.863 -8.636 -5.633 1.00 0.00 N ATOM 167 CA GLU A 11 8.917 -9.728 -5.769 1.00 0.00 C ATOM 168 C GLU A 11 8.818 -10.182 -7.220 1.00 0.00 C ATOM 169 O GLU A 11 8.075 -11.112 -7.541 1.00 0.00 O ATOM 170 CB GLU A 11 7.546 -9.298 -5.246 1.00 0.00 C ATOM 171 CG GLU A 11 7.306 -9.702 -3.804 1.00 0.00 C ATOM 172 CD GLU A 11 7.375 -11.202 -3.624 1.00 0.00 C ATOM 173 OE1 GLU A 11 6.392 -11.889 -3.967 1.00 0.00 O ATOM 174 OE2 GLU A 11 8.420 -11.704 -3.164 1.00 0.00 O ATOM 0 H GLU A 11 9.470 -7.717 -5.837 1.00 0.00 H new ATOM 0 HA GLU A 11 9.272 -10.571 -5.177 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.453 -8.216 -5.334 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.770 -9.736 -5.874 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.048 -9.224 -3.164 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.329 -9.342 -3.483 1.00 0.00 H new ATOM 181 N GLY A 12 9.579 -9.530 -8.088 1.00 0.00 N ATOM 182 CA GLY A 12 9.583 -9.891 -9.491 1.00 0.00 C ATOM 183 C GLY A 12 8.507 -9.172 -10.279 1.00 0.00 C ATOM 184 O GLY A 12 8.221 -9.535 -11.419 1.00 0.00 O ATOM 0 H GLY A 12 10.196 -8.755 -7.844 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.558 -9.660 -9.919 1.00 0.00 H new ATOM 0 HA3 GLY A 12 9.440 -10.967 -9.586 1.00 0.00 H new ATOM 188 N SER A 13 7.916 -8.150 -9.679 1.00 0.00 N ATOM 189 CA SER A 13 6.862 -7.396 -10.333 1.00 0.00 C ATOM 190 C SER A 13 7.435 -6.168 -11.032 1.00 0.00 C ATOM 191 O SER A 13 8.307 -5.482 -10.492 1.00 0.00 O ATOM 192 CB SER A 13 5.800 -6.989 -9.314 1.00 0.00 C ATOM 193 OG SER A 13 5.266 -8.131 -8.663 1.00 0.00 O ATOM 0 H SER A 13 8.149 -7.825 -8.741 1.00 0.00 H new ATOM 0 HA SER A 13 6.396 -8.029 -11.088 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.236 -6.315 -8.577 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.000 -6.442 -9.813 1.00 0.00 H new ATOM 0 HG SER A 13 4.718 -7.847 -7.902 1.00 0.00 H new ATOM 199 N GLU A 14 6.948 -5.904 -12.236 1.00 0.00 N ATOM 200 CA GLU A 14 7.448 -4.802 -13.047 1.00 0.00 C ATOM 201 C GLU A 14 6.288 -4.010 -13.630 1.00 0.00 C ATOM 202 O GLU A 14 5.147 -4.469 -13.608 1.00 0.00 O ATOM 203 CB GLU A 14 8.316 -5.334 -14.187 1.00 0.00 C ATOM 204 CG GLU A 14 9.458 -6.220 -13.729 1.00 0.00 C ATOM 205 CD GLU A 14 10.236 -6.790 -14.889 1.00 0.00 C ATOM 206 OE1 GLU A 14 9.801 -7.818 -15.453 1.00 0.00 O ATOM 207 OE2 GLU A 14 11.281 -6.211 -15.250 1.00 0.00 O ATOM 0 H GLU A 14 6.201 -6.442 -12.676 1.00 0.00 H new ATOM 0 HA GLU A 14 8.047 -4.152 -12.409 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.687 -5.897 -14.877 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.724 -4.490 -14.743 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.129 -5.645 -13.091 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.063 -7.035 -13.123 1.00 0.00 H new ATOM 214 N VAL A 15 6.578 -2.838 -14.166 1.00 0.00 N ATOM 215 CA VAL A 15 5.552 -2.026 -14.802 1.00 0.00 C ATOM 216 C VAL A 15 5.652 -2.135 -16.321 1.00 0.00 C ATOM 217 O VAL A 15 6.712 -2.452 -16.861 1.00 0.00 O ATOM 218 CB VAL A 15 5.634 -0.545 -14.374 1.00 0.00 C ATOM 219 CG1 VAL A 15 5.263 -0.392 -12.907 1.00 0.00 C ATOM 220 CG2 VAL A 15 7.022 0.019 -14.632 1.00 0.00 C ATOM 0 H VAL A 15 7.511 -2.427 -14.175 1.00 0.00 H new ATOM 0 HA VAL A 15 4.587 -2.412 -14.473 1.00 0.00 H new ATOM 0 HB VAL A 15 4.920 0.020 -14.974 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.326 0.659 -12.623 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.245 -0.749 -12.750 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.951 -0.975 -12.295 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.054 1.064 -14.322 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.758 -0.551 -14.064 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.251 -0.051 -15.695 1.00 0.00 H new ATOM 230 N ILE A 16 4.545 -1.885 -17.000 1.00 0.00 N ATOM 231 CA ILE A 16 4.480 -2.035 -18.444 1.00 0.00 C ATOM 232 C ILE A 16 3.576 -0.954 -19.053 1.00 0.00 C ATOM 233 O ILE A 16 2.705 -0.405 -18.364 1.00 0.00 O ATOM 234 CB ILE A 16 3.979 -3.457 -18.812 1.00 0.00 C ATOM 235 CG1 ILE A 16 4.104 -3.722 -20.314 1.00 0.00 C ATOM 236 CG2 ILE A 16 2.543 -3.660 -18.351 1.00 0.00 C ATOM 237 CD1 ILE A 16 3.676 -5.116 -20.720 1.00 0.00 C ATOM 0 H ILE A 16 3.673 -1.575 -16.571 1.00 0.00 H new ATOM 0 HA ILE A 16 5.480 -1.909 -18.859 1.00 0.00 H new ATOM 0 HB ILE A 16 4.614 -4.175 -18.292 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.500 -2.993 -20.855 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.139 -3.566 -20.617 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.213 -4.664 -18.620 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.487 -3.537 -17.269 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.899 -2.925 -18.833 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.791 -5.233 -21.798 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.296 -5.851 -20.207 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.632 -5.270 -20.448 1.00 0.00 H new ATOM 249 N LEU A 17 3.805 -0.648 -20.333 1.00 0.00 N ATOM 250 CA LEU A 17 3.094 0.416 -21.050 1.00 0.00 C ATOM 251 C LEU A 17 3.497 1.791 -20.525 1.00 0.00 C ATOM 252 O LEU A 17 4.514 2.338 -20.949 1.00 0.00 O ATOM 253 CB LEU A 17 1.562 0.257 -20.996 1.00 0.00 C ATOM 254 CG LEU A 17 0.956 -0.756 -21.973 1.00 0.00 C ATOM 255 CD1 LEU A 17 1.228 -2.182 -21.528 1.00 0.00 C ATOM 256 CD2 LEU A 17 -0.538 -0.520 -22.118 1.00 0.00 C ATOM 0 H LEU A 17 4.494 -1.135 -20.906 1.00 0.00 H new ATOM 0 HA LEU A 17 3.389 0.329 -22.096 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.282 -0.033 -19.983 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.109 1.230 -21.185 1.00 0.00 H new ATOM 0 HG LEU A 17 1.431 -0.613 -22.944 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.785 -2.877 -22.242 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.304 -2.349 -21.479 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.790 -2.346 -20.543 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.955 -1.247 -22.815 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.020 -0.631 -21.147 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.712 0.487 -22.497 1.00 0.00 H new ATOM 268 N ALA A 18 2.707 2.315 -19.582 1.00 0.00 N ATOM 269 CA ALA A 18 2.918 3.650 -19.010 1.00 0.00 C ATOM 270 C ALA A 18 2.777 4.750 -20.065 1.00 0.00 C ATOM 271 O ALA A 18 3.553 4.828 -21.016 1.00 0.00 O ATOM 272 CB ALA A 18 4.274 3.741 -18.317 1.00 0.00 C ATOM 0 H ALA A 18 1.902 1.825 -19.193 1.00 0.00 H new ATOM 0 HA ALA A 18 2.139 3.807 -18.264 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.404 4.741 -17.902 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.322 3.006 -17.514 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.066 3.542 -19.039 1.00 0.00 H new ATOM 278 N THR A 19 1.786 5.614 -19.883 1.00 0.00 N ATOM 279 CA THR A 19 1.560 6.725 -20.802 1.00 0.00 C ATOM 280 C THR A 19 2.506 7.895 -20.520 1.00 0.00 C ATOM 281 O THR A 19 2.259 9.025 -20.949 1.00 0.00 O ATOM 282 CB THR A 19 0.099 7.215 -20.728 1.00 0.00 C ATOM 283 OG1 THR A 19 -0.296 7.389 -19.359 1.00 0.00 O ATOM 284 CG2 THR A 19 -0.839 6.233 -21.414 1.00 0.00 C ATOM 0 H THR A 19 1.125 5.568 -19.107 1.00 0.00 H new ATOM 0 HA THR A 19 1.763 6.352 -21.806 1.00 0.00 H new ATOM 0 HB THR A 19 0.036 8.172 -21.245 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.551 8.323 -19.208 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.863 6.601 -21.348 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.557 6.132 -22.462 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.771 5.262 -20.924 1.00 0.00 H new ATOM 292 N SER A 20 3.591 7.619 -19.806 1.00 0.00 N ATOM 293 CA SER A 20 4.563 8.640 -19.462 1.00 0.00 C ATOM 294 C SER A 20 5.861 7.999 -18.989 1.00 0.00 C ATOM 295 O SER A 20 5.848 7.058 -18.195 1.00 0.00 O ATOM 296 CB SER A 20 4.005 9.552 -18.368 1.00 0.00 C ATOM 297 OG SER A 20 4.891 10.620 -18.078 1.00 0.00 O ATOM 0 H SER A 20 3.817 6.689 -19.454 1.00 0.00 H new ATOM 0 HA SER A 20 4.769 9.236 -20.351 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.042 9.953 -18.684 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.827 8.970 -17.464 1.00 0.00 H new ATOM 0 HG SER A 20 5.096 10.624 -17.120 1.00 0.00 H new ATOM 303 N SER A 21 6.975 8.491 -19.501 1.00 0.00 N ATOM 304 CA SER A 21 8.287 8.054 -19.056 1.00 0.00 C ATOM 305 C SER A 21 9.308 9.164 -19.274 1.00 0.00 C ATOM 306 O SER A 21 9.603 9.533 -20.410 1.00 0.00 O ATOM 307 CB SER A 21 8.720 6.789 -19.805 1.00 0.00 C ATOM 308 OG SER A 21 7.770 5.748 -19.648 1.00 0.00 O ATOM 0 H SER A 21 6.997 9.201 -20.233 1.00 0.00 H new ATOM 0 HA SER A 21 8.231 7.823 -17.992 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.844 7.015 -20.864 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.690 6.458 -19.434 1.00 0.00 H new ATOM 0 HG SER A 21 7.077 6.030 -19.015 1.00 0.00 H new ATOM 314 N ASP A 22 9.832 9.703 -18.185 1.00 0.00 N ATOM 315 CA ASP A 22 10.828 10.761 -18.261 1.00 0.00 C ATOM 316 C ASP A 22 12.223 10.147 -18.249 1.00 0.00 C ATOM 317 O ASP A 22 12.432 9.093 -17.649 1.00 0.00 O ATOM 318 CB ASP A 22 10.655 11.733 -17.089 1.00 0.00 C ATOM 319 CG ASP A 22 11.669 12.858 -17.102 1.00 0.00 C ATOM 320 OD1 ASP A 22 11.426 13.877 -17.775 1.00 0.00 O ATOM 321 OD2 ASP A 22 12.711 12.730 -16.430 1.00 0.00 O ATOM 0 H ASP A 22 9.584 9.425 -17.236 1.00 0.00 H new ATOM 0 HA ASP A 22 10.696 11.318 -19.188 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.651 12.155 -17.119 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.742 11.183 -16.152 1.00 0.00 H new ATOM 326 N GLU A 23 13.167 10.798 -18.917 1.00 0.00 N ATOM 327 CA GLU A 23 14.522 10.266 -19.051 1.00 0.00 C ATOM 328 C GLU A 23 15.231 10.201 -17.700 1.00 0.00 C ATOM 329 O GLU A 23 16.095 9.349 -17.482 1.00 0.00 O ATOM 330 CB GLU A 23 15.345 11.130 -20.015 1.00 0.00 C ATOM 331 CG GLU A 23 14.707 11.322 -21.382 1.00 0.00 C ATOM 332 CD GLU A 23 14.526 10.023 -22.140 1.00 0.00 C ATOM 333 OE1 GLU A 23 15.478 9.580 -22.815 1.00 0.00 O ATOM 334 OE2 GLU A 23 13.423 9.444 -22.078 1.00 0.00 O ATOM 0 H GLU A 23 13.021 11.697 -19.376 1.00 0.00 H new ATOM 0 HA GLU A 23 14.438 9.255 -19.449 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.506 12.108 -19.561 1.00 0.00 H new ATOM 0 HB3 GLU A 23 16.326 10.674 -20.146 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.736 11.803 -21.259 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.325 11.998 -21.973 1.00 0.00 H new ATOM 341 N LYS A 24 14.869 11.102 -16.800 1.00 0.00 N ATOM 342 CA LYS A 24 15.490 11.152 -15.487 1.00 0.00 C ATOM 343 C LYS A 24 14.550 10.595 -14.429 1.00 0.00 C ATOM 344 O LYS A 24 14.993 10.040 -13.423 1.00 0.00 O ATOM 345 CB LYS A 24 15.890 12.583 -15.135 1.00 0.00 C ATOM 346 CG LYS A 24 16.843 13.209 -16.139 1.00 0.00 C ATOM 347 CD LYS A 24 17.462 14.486 -15.598 1.00 0.00 C ATOM 348 CE LYS A 24 18.319 14.211 -14.372 1.00 0.00 C ATOM 349 NZ LYS A 24 19.423 13.258 -14.668 1.00 0.00 N ATOM 0 H LYS A 24 14.149 11.808 -16.955 1.00 0.00 H new ATOM 0 HA LYS A 24 16.389 10.536 -15.513 1.00 0.00 H new ATOM 0 HB2 LYS A 24 14.992 13.197 -15.067 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.356 12.590 -14.150 1.00 0.00 H new ATOM 0 HG2 LYS A 24 17.631 12.498 -16.386 1.00 0.00 H new ATOM 0 HG3 LYS A 24 16.308 13.426 -17.064 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.071 14.953 -16.372 1.00 0.00 H new ATOM 0 HD3 LYS A 24 16.674 15.194 -15.342 1.00 0.00 H new ATOM 0 HE2 LYS A 24 18.737 15.148 -14.004 1.00 0.00 H new ATOM 0 HE3 LYS A 24 17.694 13.806 -13.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 20.124 13.289 -13.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.039 12.295 -14.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 19.879 13.523 -15.564 1.00 0.00 H new ATOM 363 N HIS A 25 13.253 10.750 -14.657 1.00 0.00 N ATOM 364 CA HIS A 25 12.246 10.199 -13.756 1.00 0.00 C ATOM 365 C HIS A 25 11.433 9.127 -14.475 1.00 0.00 C ATOM 366 O HIS A 25 10.337 9.390 -14.972 1.00 0.00 O ATOM 367 CB HIS A 25 11.311 11.295 -13.232 1.00 0.00 C ATOM 368 CG HIS A 25 12.027 12.482 -12.671 1.00 0.00 C ATOM 369 ND1 HIS A 25 12.786 12.437 -11.526 1.00 0.00 N ATOM 370 CD2 HIS A 25 12.114 13.751 -13.126 1.00 0.00 C ATOM 371 CE1 HIS A 25 13.305 13.627 -11.297 1.00 0.00 C ATOM 372 NE2 HIS A 25 12.915 14.446 -12.256 1.00 0.00 N ATOM 0 H HIS A 25 12.872 11.253 -15.458 1.00 0.00 H new ATOM 0 HA HIS A 25 12.762 9.755 -12.905 1.00 0.00 H new ATOM 0 HB2 HIS A 25 10.662 11.624 -14.043 1.00 0.00 H new ATOM 0 HB3 HIS A 25 10.668 10.872 -12.460 1.00 0.00 H new ATOM 0 HD2 HIS A 25 11.640 14.146 -14.012 1.00 0.00 H new ATOM 0 HE1 HIS A 25 13.942 13.888 -10.465 1.00 0.00 H new ATOM 0 HE2 HIS A 25 13.167 15.431 -12.337 1.00 0.00 H new ATOM 380 N PRO A 26 11.974 7.907 -14.559 1.00 0.00 N ATOM 381 CA PRO A 26 11.365 6.819 -15.301 1.00 0.00 C ATOM 382 C PRO A 26 10.469 5.939 -14.420 1.00 0.00 C ATOM 383 O PRO A 26 10.508 6.034 -13.188 1.00 0.00 O ATOM 384 CB PRO A 26 12.600 6.065 -15.788 1.00 0.00 C ATOM 385 CG PRO A 26 13.590 6.206 -14.676 1.00 0.00 C ATOM 386 CD PRO A 26 13.239 7.478 -13.936 1.00 0.00 C ATOM 0 HA PRO A 26 10.696 7.148 -16.096 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.373 5.018 -15.986 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.983 6.489 -16.716 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.546 5.346 -14.008 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.606 6.254 -15.067 1.00 0.00 H new ATOM 0 HD2 PRO A 26 13.119 7.299 -12.867 1.00 0.00 H new ATOM 0 HD3 PRO A 26 14.017 8.234 -14.047 1.00 0.00 H new ATOM 394 N PRO A 27 9.644 5.071 -15.040 1.00 0.00 N ATOM 395 CA PRO A 27 8.715 4.186 -14.316 1.00 0.00 C ATOM 396 C PRO A 27 9.420 3.223 -13.359 1.00 0.00 C ATOM 397 O PRO A 27 8.772 2.549 -12.557 1.00 0.00 O ATOM 398 CB PRO A 27 8.011 3.409 -15.432 1.00 0.00 C ATOM 399 CG PRO A 27 8.185 4.249 -16.647 1.00 0.00 C ATOM 400 CD PRO A 27 9.532 4.894 -16.497 1.00 0.00 C ATOM 0 HA PRO A 27 8.040 4.759 -13.680 1.00 0.00 H new ATOM 0 HB2 PRO A 27 8.453 2.422 -15.567 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.956 3.257 -15.204 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.138 3.644 -17.553 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.397 4.998 -16.723 1.00 0.00 H new ATOM 0 HD2 PRO A 27 10.329 4.264 -16.891 1.00 0.00 H new ATOM 0 HD3 PRO A 27 9.587 5.845 -17.026 1.00 0.00 H new ATOM 408 N GLU A 28 10.746 3.163 -13.450 1.00 0.00 N ATOM 409 CA GLU A 28 11.556 2.382 -12.523 1.00 0.00 C ATOM 410 C GLU A 28 11.230 2.754 -11.078 1.00 0.00 C ATOM 411 O GLU A 28 11.187 1.895 -10.198 1.00 0.00 O ATOM 412 CB GLU A 28 13.045 2.630 -12.786 1.00 0.00 C ATOM 413 CG GLU A 28 13.971 1.798 -11.914 1.00 0.00 C ATOM 414 CD GLU A 28 15.417 2.240 -12.007 1.00 0.00 C ATOM 415 OE1 GLU A 28 16.021 2.105 -13.093 1.00 0.00 O ATOM 416 OE2 GLU A 28 15.962 2.725 -10.991 1.00 0.00 O ATOM 0 H GLU A 28 11.286 3.652 -14.164 1.00 0.00 H new ATOM 0 HA GLU A 28 11.329 1.327 -12.678 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.259 2.417 -13.833 1.00 0.00 H new ATOM 0 HB3 GLU A 28 13.262 3.686 -12.625 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.642 1.863 -10.877 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.896 0.751 -12.208 1.00 0.00 H new ATOM 423 N ASN A 29 10.969 4.037 -10.848 1.00 0.00 N ATOM 424 CA ASN A 29 10.748 4.545 -9.496 1.00 0.00 C ATOM 425 C ASN A 29 9.332 4.265 -9.004 1.00 0.00 C ATOM 426 O ASN A 29 8.967 4.663 -7.900 1.00 0.00 O ATOM 427 CB ASN A 29 11.044 6.045 -9.427 1.00 0.00 C ATOM 428 CG ASN A 29 12.519 6.361 -9.609 1.00 0.00 C ATOM 429 OD1 ASN A 29 12.878 7.414 -10.134 1.00 0.00 O ATOM 430 ND2 ASN A 29 13.387 5.457 -9.172 1.00 0.00 N ATOM 0 H ASN A 29 10.905 4.745 -11.580 1.00 0.00 H new ATOM 0 HA ASN A 29 11.437 4.015 -8.838 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.469 6.560 -10.196 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.710 6.433 -8.465 1.00 0.00 H new ATOM 0 HD21 ASN A 29 14.389 5.624 -9.266 1.00 0.00 H new ATOM 0 HD22 ASN A 29 13.052 4.595 -8.742 1.00 0.00 H new ATOM 437 N ILE A 30 8.532 3.587 -9.818 1.00 0.00 N ATOM 438 CA ILE A 30 7.214 3.140 -9.381 1.00 0.00 C ATOM 439 C ILE A 30 7.368 1.882 -8.539 1.00 0.00 C ATOM 440 O ILE A 30 6.624 1.653 -7.584 1.00 0.00 O ATOM 441 CB ILE A 30 6.274 2.854 -10.572 1.00 0.00 C ATOM 442 CG1 ILE A 30 6.108 4.109 -11.428 1.00 0.00 C ATOM 443 CG2 ILE A 30 4.915 2.366 -10.082 1.00 0.00 C ATOM 444 CD1 ILE A 30 5.194 3.918 -12.618 1.00 0.00 C ATOM 0 H ILE A 30 8.770 3.336 -10.778 1.00 0.00 H new ATOM 0 HA ILE A 30 6.765 3.941 -8.794 1.00 0.00 H new ATOM 0 HB ILE A 30 6.721 2.069 -11.181 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.716 4.913 -10.805 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.088 4.429 -11.782 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.268 2.171 -10.938 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.043 1.449 -9.507 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.460 3.129 -9.451 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.125 4.851 -13.177 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.595 3.137 -13.263 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.202 3.629 -12.272 1.00 0.00 H new ATOM 456 N ILE A 31 8.350 1.072 -8.907 1.00 0.00 N ATOM 457 CA ILE A 31 8.683 -0.117 -8.149 1.00 0.00 C ATOM 458 C ILE A 31 10.022 0.077 -7.439 1.00 0.00 C ATOM 459 O ILE A 31 10.082 0.794 -6.439 1.00 0.00 O ATOM 460 CB ILE A 31 8.692 -1.389 -9.036 1.00 0.00 C ATOM 461 CG1 ILE A 31 9.454 -1.152 -10.349 1.00 0.00 C ATOM 462 CG2 ILE A 31 7.266 -1.826 -9.333 1.00 0.00 C ATOM 463 CD1 ILE A 31 9.577 -2.393 -11.207 1.00 0.00 C ATOM 0 H ILE A 31 8.931 1.221 -9.732 1.00 0.00 H new ATOM 0 HA ILE A 31 7.907 -0.269 -7.399 1.00 0.00 H new ATOM 0 HB ILE A 31 9.206 -2.178 -8.487 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.946 -0.374 -10.919 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.452 -0.779 -10.119 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.282 -2.720 -9.956 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.750 -2.045 -8.398 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.742 -1.027 -9.858 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.126 -2.153 -12.118 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.111 -3.166 -10.654 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.583 -2.755 -11.468 1.00 0.00 H new ATOM 475 N ASP A 32 11.087 -0.547 -7.963 1.00 0.00 N ATOM 476 CA ASP A 32 12.465 -0.354 -7.475 1.00 0.00 C ATOM 477 C ASP A 32 12.673 -0.950 -6.079 1.00 0.00 C ATOM 478 O ASP A 32 13.556 -1.781 -5.872 1.00 0.00 O ATOM 479 CB ASP A 32 12.830 1.139 -7.483 1.00 0.00 C ATOM 480 CG ASP A 32 14.282 1.416 -7.129 1.00 0.00 C ATOM 481 OD1 ASP A 32 15.119 0.498 -7.235 1.00 0.00 O ATOM 482 OD2 ASP A 32 14.600 2.571 -6.775 1.00 0.00 O ATOM 0 H ASP A 32 11.019 -1.203 -8.741 1.00 0.00 H new ATOM 0 HA ASP A 32 13.129 -0.888 -8.155 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.622 1.549 -8.471 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.187 1.665 -6.777 1.00 0.00 H new ATOM 487 N GLY A 33 11.829 -0.552 -5.147 1.00 0.00 N ATOM 488 CA GLY A 33 12.015 -0.916 -3.761 1.00 0.00 C ATOM 489 C GLY A 33 12.441 0.288 -2.951 1.00 0.00 C ATOM 490 O GLY A 33 12.924 0.159 -1.825 1.00 0.00 O ATOM 0 H GLY A 33 11.007 0.024 -5.328 1.00 0.00 H new ATOM 0 HA2 GLY A 33 11.088 -1.323 -3.358 1.00 0.00 H new ATOM 0 HA3 GLY A 33 12.768 -1.700 -3.682 1.00 0.00 H new ATOM 494 N ASN A 34 12.258 1.463 -3.537 1.00 0.00 N ATOM 495 CA ASN A 34 12.632 2.715 -2.903 1.00 0.00 C ATOM 496 C ASN A 34 11.457 3.682 -2.883 1.00 0.00 C ATOM 497 O ASN A 34 11.026 4.167 -3.926 1.00 0.00 O ATOM 498 CB ASN A 34 13.809 3.347 -3.649 1.00 0.00 C ATOM 499 CG ASN A 34 15.129 2.670 -3.340 1.00 0.00 C ATOM 500 OD1 ASN A 34 15.409 2.320 -2.193 1.00 0.00 O ATOM 501 ND2 ASN A 34 15.928 2.445 -4.368 1.00 0.00 N ATOM 0 H ASN A 34 11.847 1.573 -4.464 1.00 0.00 H new ATOM 0 HA ASN A 34 12.926 2.505 -1.875 1.00 0.00 H new ATOM 0 HB2 ASN A 34 13.622 3.298 -4.722 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.876 4.403 -3.385 1.00 0.00 H new ATOM 0 HD21 ASN A 34 16.816 1.964 -4.228 1.00 0.00 H new ATOM 0 HD22 ASN A 34 15.656 2.752 -5.302 1.00 0.00 H new ATOM 508 N PRO A 35 10.932 3.981 -1.689 1.00 0.00 N ATOM 509 CA PRO A 35 9.820 4.913 -1.502 1.00 0.00 C ATOM 510 C PRO A 35 10.281 6.370 -1.469 1.00 0.00 C ATOM 511 O PRO A 35 9.584 7.237 -0.951 1.00 0.00 O ATOM 512 CB PRO A 35 9.228 4.509 -0.141 1.00 0.00 C ATOM 513 CG PRO A 35 10.061 3.367 0.357 1.00 0.00 C ATOM 514 CD PRO A 35 11.352 3.414 -0.407 1.00 0.00 C ATOM 0 HA PRO A 35 9.106 4.857 -2.324 1.00 0.00 H new ATOM 0 HB2 PRO A 35 9.255 5.344 0.559 1.00 0.00 H new ATOM 0 HB3 PRO A 35 8.184 4.213 -0.243 1.00 0.00 H new ATOM 0 HG2 PRO A 35 10.241 3.457 1.428 1.00 0.00 H new ATOM 0 HG3 PRO A 35 9.551 2.417 0.198 1.00 0.00 H new ATOM 0 HD2 PRO A 35 12.096 4.037 0.089 1.00 0.00 H new ATOM 0 HD3 PRO A 35 11.792 2.424 -0.524 1.00 0.00 H new ATOM 522 N GLU A 36 11.469 6.627 -1.997 1.00 0.00 N ATOM 523 CA GLU A 36 12.035 7.968 -1.989 1.00 0.00 C ATOM 524 C GLU A 36 11.433 8.824 -3.107 1.00 0.00 C ATOM 525 O GLU A 36 10.809 9.855 -2.848 1.00 0.00 O ATOM 526 CB GLU A 36 13.563 7.889 -2.138 1.00 0.00 C ATOM 527 CG GLU A 36 14.311 9.179 -1.798 1.00 0.00 C ATOM 528 CD GLU A 36 13.990 10.330 -2.732 1.00 0.00 C ATOM 529 OE1 GLU A 36 14.364 10.264 -3.923 1.00 0.00 O ATOM 530 OE2 GLU A 36 13.342 11.298 -2.285 1.00 0.00 O ATOM 0 H GLU A 36 12.061 5.923 -2.437 1.00 0.00 H new ATOM 0 HA GLU A 36 11.793 8.441 -1.037 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.935 7.091 -1.496 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.799 7.609 -3.165 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.068 9.472 -0.777 1.00 0.00 H new ATOM 0 HG3 GLU A 36 15.383 8.986 -1.827 1.00 0.00 H new ATOM 537 N THR A 37 11.619 8.387 -4.343 1.00 0.00 N ATOM 538 CA THR A 37 11.277 9.198 -5.500 1.00 0.00 C ATOM 539 C THR A 37 9.840 8.926 -5.968 1.00 0.00 C ATOM 540 O THR A 37 9.067 8.273 -5.263 1.00 0.00 O ATOM 541 CB THR A 37 12.282 8.927 -6.639 1.00 0.00 C ATOM 542 OG1 THR A 37 13.582 8.679 -6.078 1.00 0.00 O ATOM 543 CG2 THR A 37 12.374 10.114 -7.588 1.00 0.00 C ATOM 0 H THR A 37 12.007 7.471 -4.571 1.00 0.00 H new ATOM 0 HA THR A 37 11.334 10.249 -5.215 1.00 0.00 H new ATOM 0 HB THR A 37 11.934 8.059 -7.199 1.00 0.00 H new ATOM 0 HG1 THR A 37 13.740 9.296 -5.333 1.00 0.00 H new ATOM 0 HG21 THR A 37 13.090 9.892 -8.379 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.395 10.305 -8.027 1.00 0.00 H new ATOM 0 HG23 THR A 37 12.703 10.995 -7.037 1.00 0.00 H new ATOM 551 N PHE A 38 9.481 9.441 -7.142 1.00 0.00 N ATOM 552 CA PHE A 38 8.124 9.330 -7.655 1.00 0.00 C ATOM 553 C PHE A 38 8.112 9.386 -9.181 1.00 0.00 C ATOM 554 O PHE A 38 9.046 9.897 -9.802 1.00 0.00 O ATOM 555 CB PHE A 38 7.250 10.457 -7.083 1.00 0.00 C ATOM 556 CG PHE A 38 7.801 11.840 -7.319 1.00 0.00 C ATOM 557 CD1 PHE A 38 7.484 12.544 -8.471 1.00 0.00 C ATOM 558 CD2 PHE A 38 8.636 12.435 -6.387 1.00 0.00 C ATOM 559 CE1 PHE A 38 7.988 13.812 -8.688 1.00 0.00 C ATOM 560 CE2 PHE A 38 9.144 13.703 -6.599 1.00 0.00 C ATOM 561 CZ PHE A 38 8.820 14.392 -7.750 1.00 0.00 C ATOM 0 H PHE A 38 10.120 9.943 -7.758 1.00 0.00 H new ATOM 0 HA PHE A 38 7.719 8.367 -7.343 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.256 10.393 -7.526 1.00 0.00 H new ATOM 0 HB3 PHE A 38 7.132 10.302 -6.011 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.835 12.095 -9.208 1.00 0.00 H new ATOM 0 HD2 PHE A 38 8.893 11.902 -5.484 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.732 14.349 -9.589 1.00 0.00 H new ATOM 0 HE2 PHE A 38 9.794 14.154 -5.864 1.00 0.00 H new ATOM 0 HZ PHE A 38 9.216 15.383 -7.917 1.00 0.00 H new ATOM 571 N TRP A 39 7.052 8.855 -9.771 1.00 0.00 N ATOM 572 CA TRP A 39 6.849 8.915 -11.211 1.00 0.00 C ATOM 573 C TRP A 39 5.682 9.848 -11.519 1.00 0.00 C ATOM 574 O TRP A 39 4.666 9.828 -10.824 1.00 0.00 O ATOM 575 CB TRP A 39 6.583 7.503 -11.753 1.00 0.00 C ATOM 576 CG TRP A 39 6.121 7.443 -13.185 1.00 0.00 C ATOM 577 CD1 TRP A 39 6.900 7.418 -14.310 1.00 0.00 C ATOM 578 CD2 TRP A 39 4.763 7.371 -13.639 1.00 0.00 C ATOM 579 NE1 TRP A 39 6.106 7.340 -15.428 1.00 0.00 N ATOM 580 CE2 TRP A 39 4.793 7.313 -15.043 1.00 0.00 C ATOM 581 CE3 TRP A 39 3.523 7.358 -12.994 1.00 0.00 C ATOM 582 CZ2 TRP A 39 3.633 7.238 -15.811 1.00 0.00 C ATOM 583 CZ3 TRP A 39 2.374 7.280 -13.755 1.00 0.00 C ATOM 584 CH2 TRP A 39 2.436 7.222 -15.152 1.00 0.00 C ATOM 0 H TRP A 39 6.309 8.371 -9.266 1.00 0.00 H new ATOM 0 HA TRP A 39 7.743 9.306 -11.697 1.00 0.00 H new ATOM 0 HB2 TRP A 39 7.497 6.916 -11.658 1.00 0.00 H new ATOM 0 HB3 TRP A 39 5.831 7.026 -11.125 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.979 7.454 -14.318 1.00 0.00 H new ATOM 0 HE1 TRP A 39 6.441 7.307 -16.391 1.00 0.00 H new ATOM 0 HE3 TRP A 39 3.465 7.408 -11.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 3.678 7.194 -16.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.412 7.263 -13.265 1.00 0.00 H new ATOM 0 HH2 TRP A 39 1.520 7.163 -15.720 1.00 0.00 H new ATOM 595 N THR A 40 5.835 10.678 -12.535 1.00 0.00 N ATOM 596 CA THR A 40 4.793 11.620 -12.909 1.00 0.00 C ATOM 597 C THR A 40 4.369 11.396 -14.355 1.00 0.00 C ATOM 598 O THR A 40 5.169 10.972 -15.194 1.00 0.00 O ATOM 599 CB THR A 40 5.259 13.083 -12.710 1.00 0.00 C ATOM 600 OG1 THR A 40 4.193 13.992 -13.010 1.00 0.00 O ATOM 601 CG2 THR A 40 6.465 13.405 -13.583 1.00 0.00 C ATOM 0 H THR A 40 6.671 10.720 -13.117 1.00 0.00 H new ATOM 0 HA THR A 40 3.937 11.447 -12.257 1.00 0.00 H new ATOM 0 HB THR A 40 5.549 13.197 -11.666 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.501 14.913 -12.878 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.767 14.440 -13.419 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.290 12.741 -13.324 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.203 13.265 -14.632 1.00 0.00 H new ATOM 609 N THR A 41 3.108 11.661 -14.637 1.00 0.00 N ATOM 610 CA THR A 41 2.590 11.512 -15.978 1.00 0.00 C ATOM 611 C THR A 41 2.711 12.837 -16.729 1.00 0.00 C ATOM 612 O THR A 41 2.837 13.896 -16.112 1.00 0.00 O ATOM 613 CB THR A 41 1.125 11.042 -15.953 1.00 0.00 C ATOM 614 OG1 THR A 41 0.951 10.065 -14.920 1.00 0.00 O ATOM 615 CG2 THR A 41 0.724 10.431 -17.289 1.00 0.00 C ATOM 0 H THR A 41 2.424 11.981 -13.952 1.00 0.00 H new ATOM 0 HA THR A 41 3.177 10.753 -16.495 1.00 0.00 H new ATOM 0 HB THR A 41 0.493 11.909 -15.761 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.490 9.273 -15.125 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.316 10.107 -17.244 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.839 11.174 -18.078 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.362 9.573 -17.503 1.00 0.00 H new ATOM 623 N THR A 42 2.679 12.771 -18.052 1.00 0.00 N ATOM 624 CA THR A 42 2.864 13.943 -18.895 1.00 0.00 C ATOM 625 C THR A 42 1.615 14.827 -18.947 1.00 0.00 C ATOM 626 O THR A 42 1.593 15.846 -19.640 1.00 0.00 O ATOM 627 CB THR A 42 3.252 13.508 -20.318 1.00 0.00 C ATOM 628 OG1 THR A 42 2.469 12.365 -20.697 1.00 0.00 O ATOM 629 CG2 THR A 42 4.733 13.167 -20.398 1.00 0.00 C ATOM 0 H THR A 42 2.525 11.906 -18.570 1.00 0.00 H new ATOM 0 HA THR A 42 3.665 14.536 -18.454 1.00 0.00 H new ATOM 0 HB THR A 42 3.055 14.334 -21.001 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.981 11.547 -20.528 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.982 12.862 -21.415 1.00 0.00 H new ATOM 0 HG22 THR A 42 5.323 14.042 -20.127 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.956 12.352 -19.710 1.00 0.00 H new ATOM 637 N GLY A 43 0.582 14.437 -18.212 1.00 0.00 N ATOM 638 CA GLY A 43 -0.626 15.238 -18.142 1.00 0.00 C ATOM 639 C GLY A 43 -1.603 14.925 -19.257 1.00 0.00 C ATOM 640 O GLY A 43 -2.560 15.664 -19.478 1.00 0.00 O ATOM 0 H GLY A 43 0.558 13.579 -17.662 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.112 15.070 -17.181 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.359 16.294 -18.184 1.00 0.00 H new ATOM 644 N MET A 44 -1.368 13.831 -19.963 1.00 0.00 N ATOM 645 CA MET A 44 -2.246 13.433 -21.054 1.00 0.00 C ATOM 646 C MET A 44 -3.325 12.484 -20.553 1.00 0.00 C ATOM 647 O MET A 44 -3.064 11.305 -20.327 1.00 0.00 O ATOM 648 CB MET A 44 -1.453 12.768 -22.183 1.00 0.00 C ATOM 649 CG MET A 44 -0.392 13.666 -22.794 1.00 0.00 C ATOM 650 SD MET A 44 0.379 12.943 -24.258 1.00 0.00 S ATOM 651 CE MET A 44 1.101 11.453 -23.573 1.00 0.00 C ATOM 0 H MET A 44 -0.580 13.204 -19.802 1.00 0.00 H new ATOM 0 HA MET A 44 -2.719 14.334 -21.446 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.976 11.867 -21.798 1.00 0.00 H new ATOM 0 HB3 MET A 44 -2.145 12.454 -22.965 1.00 0.00 H new ATOM 0 HG2 MET A 44 -0.842 14.622 -23.061 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.376 13.872 -22.049 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.163 11.419 -23.815 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.975 11.452 -22.490 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.604 10.580 -23.997 1.00 0.00 H new ATOM 661 N PHE A 45 -4.526 13.013 -20.354 1.00 0.00 N ATOM 662 CA PHE A 45 -5.655 12.204 -19.910 1.00 0.00 C ATOM 663 C PHE A 45 -6.245 11.415 -21.076 1.00 0.00 C ATOM 664 O PHE A 45 -6.321 11.922 -22.199 1.00 0.00 O ATOM 665 CB PHE A 45 -6.741 13.083 -19.284 1.00 0.00 C ATOM 666 CG PHE A 45 -6.366 13.678 -17.956 1.00 0.00 C ATOM 667 CD1 PHE A 45 -5.727 14.903 -17.883 1.00 0.00 C ATOM 668 CD2 PHE A 45 -6.672 13.016 -16.780 1.00 0.00 C ATOM 669 CE1 PHE A 45 -5.395 15.454 -16.662 1.00 0.00 C ATOM 670 CE2 PHE A 45 -6.345 13.564 -15.555 1.00 0.00 C ATOM 671 CZ PHE A 45 -5.706 14.786 -15.496 1.00 0.00 C ATOM 0 H PHE A 45 -4.744 14.000 -20.493 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.288 11.506 -19.158 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.982 13.890 -19.976 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -7.646 12.489 -19.160 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.485 15.434 -18.792 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -7.172 12.060 -16.820 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.892 16.409 -16.619 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.589 13.037 -14.644 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.450 15.218 -14.540 1.00 0.00 H new ATOM 681 N PRO A 46 -6.661 10.160 -20.834 1.00 0.00 N ATOM 682 CA PRO A 46 -6.513 9.493 -19.538 1.00 0.00 C ATOM 683 C PRO A 46 -5.093 8.976 -19.323 1.00 0.00 C ATOM 684 O PRO A 46 -4.398 8.622 -20.278 1.00 0.00 O ATOM 685 CB PRO A 46 -7.504 8.318 -19.612 1.00 0.00 C ATOM 686 CG PRO A 46 -8.232 8.478 -20.909 1.00 0.00 C ATOM 687 CD PRO A 46 -7.332 9.291 -21.795 1.00 0.00 C ATOM 0 HA PRO A 46 -6.707 10.172 -18.707 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.981 7.363 -19.573 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.196 8.337 -18.770 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.447 7.508 -21.357 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -9.188 8.979 -20.760 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.626 8.666 -22.342 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.894 9.860 -22.535 1.00 0.00 H new ATOM 695 N GLN A 47 -4.684 8.910 -18.066 1.00 0.00 N ATOM 696 CA GLN A 47 -3.318 8.544 -17.719 1.00 0.00 C ATOM 697 C GLN A 47 -3.304 7.134 -17.143 1.00 0.00 C ATOM 698 O GLN A 47 -3.886 6.885 -16.091 1.00 0.00 O ATOM 699 CB GLN A 47 -2.760 9.549 -16.704 1.00 0.00 C ATOM 700 CG GLN A 47 -3.000 10.999 -17.104 1.00 0.00 C ATOM 701 CD GLN A 47 -2.568 11.992 -16.043 1.00 0.00 C ATOM 702 OE1 GLN A 47 -1.439 12.480 -16.046 1.00 0.00 O ATOM 703 NE2 GLN A 47 -3.465 12.294 -15.120 1.00 0.00 N ATOM 0 H GLN A 47 -5.282 9.106 -17.264 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.690 8.565 -18.610 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.218 9.366 -15.732 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.689 9.383 -16.589 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.461 11.208 -18.028 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.060 11.140 -17.314 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.392 11.869 -15.151 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.231 12.952 -14.377 1.00 0.00 H new ATOM 712 N GLU A 48 -2.651 6.209 -17.832 1.00 0.00 N ATOM 713 CA GLU A 48 -2.747 4.803 -17.466 1.00 0.00 C ATOM 714 C GLU A 48 -1.394 4.098 -17.486 1.00 0.00 C ATOM 715 O GLU A 48 -0.474 4.488 -18.212 1.00 0.00 O ATOM 716 CB GLU A 48 -3.724 4.084 -18.401 1.00 0.00 C ATOM 717 CG GLU A 48 -3.435 4.306 -19.878 1.00 0.00 C ATOM 718 CD GLU A 48 -4.390 3.556 -20.782 1.00 0.00 C ATOM 719 OE1 GLU A 48 -5.619 3.683 -20.598 1.00 0.00 O ATOM 720 OE2 GLU A 48 -3.926 2.820 -21.673 1.00 0.00 O ATOM 0 H GLU A 48 -2.056 6.403 -18.638 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.116 4.763 -16.441 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.694 3.015 -18.191 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.737 4.423 -18.183 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.494 5.372 -20.099 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.414 3.992 -20.095 1.00 0.00 H new ATOM 727 N PHE A 49 -1.291 3.060 -16.667 1.00 0.00 N ATOM 728 CA PHE A 49 -0.127 2.189 -16.644 1.00 0.00 C ATOM 729 C PHE A 49 -0.528 0.840 -16.061 1.00 0.00 C ATOM 730 O PHE A 49 -1.503 0.747 -15.312 1.00 0.00 O ATOM 731 CB PHE A 49 1.028 2.811 -15.839 1.00 0.00 C ATOM 732 CG PHE A 49 0.749 2.991 -14.370 1.00 0.00 C ATOM 733 CD1 PHE A 49 0.056 4.099 -13.911 1.00 0.00 C ATOM 734 CD2 PHE A 49 1.193 2.055 -13.449 1.00 0.00 C ATOM 735 CE1 PHE A 49 -0.193 4.268 -12.562 1.00 0.00 C ATOM 736 CE2 PHE A 49 0.950 2.219 -12.101 1.00 0.00 C ATOM 737 CZ PHE A 49 0.256 3.326 -11.655 1.00 0.00 C ATOM 0 H PHE A 49 -2.016 2.799 -15.998 1.00 0.00 H new ATOM 0 HA PHE A 49 0.232 2.054 -17.664 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.911 2.182 -15.952 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.271 3.782 -16.270 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.294 4.839 -14.615 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.736 1.186 -13.791 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.737 5.135 -12.217 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.303 1.482 -11.395 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.064 3.456 -10.600 1.00 0.00 H new ATOM 747 N ILE A 50 0.205 -0.201 -16.414 1.00 0.00 N ATOM 748 CA ILE A 50 -0.125 -1.543 -15.964 1.00 0.00 C ATOM 749 C ILE A 50 1.033 -2.131 -15.168 1.00 0.00 C ATOM 750 O ILE A 50 2.193 -1.900 -15.493 1.00 0.00 O ATOM 751 CB ILE A 50 -0.454 -2.470 -17.159 1.00 0.00 C ATOM 752 CG1 ILE A 50 -1.527 -1.835 -18.047 1.00 0.00 C ATOM 753 CG2 ILE A 50 -0.913 -3.839 -16.669 1.00 0.00 C ATOM 754 CD1 ILE A 50 -1.877 -2.660 -19.266 1.00 0.00 C ATOM 0 H ILE A 50 1.031 -0.144 -17.010 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.007 -1.473 -15.327 1.00 0.00 H new ATOM 0 HB ILE A 50 0.453 -2.603 -17.749 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.429 -1.678 -17.455 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.183 -0.853 -18.371 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.139 -4.475 -17.525 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.122 -4.297 -16.076 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.807 -3.725 -16.056 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.644 -2.146 -19.846 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.987 -2.796 -19.881 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.253 -3.633 -18.951 1.00 0.00 H new ATOM 766 N ILE A 51 0.715 -2.864 -14.115 1.00 0.00 N ATOM 767 CA ILE A 51 1.730 -3.541 -13.325 1.00 0.00 C ATOM 768 C ILE A 51 1.578 -5.050 -13.468 1.00 0.00 C ATOM 769 O ILE A 51 0.495 -5.594 -13.260 1.00 0.00 O ATOM 770 CB ILE A 51 1.649 -3.158 -11.833 1.00 0.00 C ATOM 771 CG1 ILE A 51 1.641 -1.635 -11.675 1.00 0.00 C ATOM 772 CG2 ILE A 51 2.820 -3.765 -11.068 1.00 0.00 C ATOM 773 CD1 ILE A 51 1.490 -1.172 -10.243 1.00 0.00 C ATOM 0 H ILE A 51 -0.240 -3.006 -13.786 1.00 0.00 H new ATOM 0 HA ILE A 51 2.703 -3.225 -13.702 1.00 0.00 H new ATOM 0 HB ILE A 51 0.721 -3.554 -11.421 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.568 -1.232 -12.082 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.826 -1.221 -12.269 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.751 -3.487 -10.016 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.790 -4.851 -11.159 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.757 -3.392 -11.481 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.493 -0.082 -10.211 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.549 -1.545 -9.837 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.319 -1.555 -9.648 1.00 0.00 H new ATOM 785 N CYS A 52 2.660 -5.714 -13.835 1.00 0.00 N ATOM 786 CA CYS A 52 2.649 -7.153 -14.028 1.00 0.00 C ATOM 787 C CYS A 52 3.395 -7.856 -12.902 1.00 0.00 C ATOM 788 O CYS A 52 4.573 -7.584 -12.659 1.00 0.00 O ATOM 789 CB CYS A 52 3.271 -7.509 -15.379 1.00 0.00 C ATOM 790 SG CYS A 52 4.894 -6.766 -15.668 1.00 0.00 S ATOM 0 H CYS A 52 3.564 -5.275 -14.006 1.00 0.00 H new ATOM 0 HA CYS A 52 1.613 -7.493 -14.015 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.362 -8.593 -15.450 1.00 0.00 H new ATOM 0 HB3 CYS A 52 2.593 -7.194 -16.172 1.00 0.00 H new ATOM 0 HG CYS A 52 5.129 -5.869 -14.757 1.00 0.00 H new ATOM 796 N PHE A 53 2.703 -8.758 -12.220 1.00 0.00 N ATOM 797 CA PHE A 53 3.296 -9.518 -11.125 1.00 0.00 C ATOM 798 C PHE A 53 4.110 -10.690 -11.661 1.00 0.00 C ATOM 799 O PHE A 53 4.939 -11.258 -10.952 1.00 0.00 O ATOM 800 CB PHE A 53 2.210 -10.041 -10.182 1.00 0.00 C ATOM 801 CG PHE A 53 1.444 -8.958 -9.477 1.00 0.00 C ATOM 802 CD1 PHE A 53 1.904 -8.439 -8.278 1.00 0.00 C ATOM 803 CD2 PHE A 53 0.265 -8.464 -10.010 1.00 0.00 C ATOM 804 CE1 PHE A 53 1.202 -7.446 -7.623 1.00 0.00 C ATOM 805 CE2 PHE A 53 -0.441 -7.472 -9.359 1.00 0.00 C ATOM 806 CZ PHE A 53 0.028 -6.961 -8.165 1.00 0.00 C ATOM 0 H PHE A 53 1.726 -8.983 -12.406 1.00 0.00 H new ATOM 0 HA PHE A 53 3.956 -8.849 -10.573 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.512 -10.654 -10.752 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.671 -10.690 -9.438 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.822 -8.815 -7.851 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.106 -8.859 -10.944 1.00 0.00 H new ATOM 0 HE1 PHE A 53 1.571 -7.049 -6.688 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.360 -7.096 -9.784 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.522 -6.184 -7.656 1.00 0.00 H new ATOM 816 N HIS A 54 3.844 -11.050 -12.920 1.00 0.00 N ATOM 817 CA HIS A 54 4.484 -12.201 -13.572 1.00 0.00 C ATOM 818 C HIS A 54 4.045 -13.511 -12.923 1.00 0.00 C ATOM 819 O HIS A 54 4.579 -14.573 -13.228 1.00 0.00 O ATOM 820 CB HIS A 54 6.017 -12.102 -13.536 1.00 0.00 C ATOM 821 CG HIS A 54 6.595 -11.057 -14.439 1.00 0.00 C ATOM 822 ND1 HIS A 54 6.737 -11.233 -15.796 1.00 0.00 N ATOM 823 CD2 HIS A 54 7.102 -9.832 -14.168 1.00 0.00 C ATOM 824 CE1 HIS A 54 7.307 -10.166 -16.320 1.00 0.00 C ATOM 825 NE2 HIS A 54 7.544 -9.296 -15.354 1.00 0.00 N ATOM 0 H HIS A 54 3.181 -10.555 -13.516 1.00 0.00 H new ATOM 0 HA HIS A 54 4.163 -12.189 -14.614 1.00 0.00 H new ATOM 0 HB2 HIS A 54 6.331 -11.894 -12.513 1.00 0.00 H new ATOM 0 HB3 HIS A 54 6.437 -13.071 -13.807 1.00 0.00 H new ATOM 0 HD2 HIS A 54 7.150 -9.361 -13.197 1.00 0.00 H new ATOM 0 HE1 HIS A 54 7.541 -10.026 -17.365 1.00 0.00 H new ATOM 0 HE2 HIS A 54 7.981 -8.382 -15.469 1.00 0.00 H new ATOM 833 N LYS A 55 3.056 -13.426 -12.044 1.00 0.00 N ATOM 834 CA LYS A 55 2.593 -14.579 -11.292 1.00 0.00 C ATOM 835 C LYS A 55 1.178 -14.335 -10.783 1.00 0.00 C ATOM 836 O LYS A 55 0.749 -13.187 -10.654 1.00 0.00 O ATOM 837 CB LYS A 55 3.545 -14.854 -10.121 1.00 0.00 C ATOM 838 CG LYS A 55 3.652 -13.693 -9.145 1.00 0.00 C ATOM 839 CD LYS A 55 4.853 -13.833 -8.224 1.00 0.00 C ATOM 840 CE LYS A 55 4.920 -12.689 -7.226 1.00 0.00 C ATOM 841 NZ LYS A 55 6.177 -12.715 -6.436 1.00 0.00 N ATOM 0 H LYS A 55 2.557 -12.562 -11.835 1.00 0.00 H new ATOM 0 HA LYS A 55 2.581 -15.452 -11.945 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.204 -15.739 -9.585 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.536 -15.082 -10.514 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.728 -12.758 -9.700 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.742 -13.636 -8.548 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.796 -14.781 -7.690 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.768 -13.856 -8.816 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.844 -11.740 -7.757 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.066 -12.746 -6.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.996 -12.339 -5.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.520 -13.694 -6.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.896 -12.131 -6.908 1.00 0.00 H new ATOM 855 N HIS A 56 0.458 -15.407 -10.497 1.00 0.00 N ATOM 856 CA HIS A 56 -0.906 -15.302 -10.004 1.00 0.00 C ATOM 857 C HIS A 56 -0.898 -15.122 -8.488 1.00 0.00 C ATOM 858 O HIS A 56 -0.622 -16.064 -7.739 1.00 0.00 O ATOM 859 CB HIS A 56 -1.700 -16.551 -10.405 1.00 0.00 C ATOM 860 CG HIS A 56 -3.133 -16.546 -9.969 1.00 0.00 C ATOM 861 ND1 HIS A 56 -3.594 -17.293 -8.912 1.00 0.00 N ATOM 862 CD2 HIS A 56 -4.212 -15.901 -10.469 1.00 0.00 C ATOM 863 CE1 HIS A 56 -4.891 -17.108 -8.778 1.00 0.00 C ATOM 864 NE2 HIS A 56 -5.299 -16.270 -9.712 1.00 0.00 N ATOM 0 H HIS A 56 0.797 -16.364 -10.598 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.388 -14.431 -10.449 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -1.664 -16.655 -11.489 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -1.209 -17.428 -9.984 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -4.218 -15.221 -11.308 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.517 -17.567 -8.027 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -6.258 -15.950 -9.849 1.00 0.00 H new ATOM 872 N VAL A 57 -1.177 -13.905 -8.046 1.00 0.00 N ATOM 873 CA VAL A 57 -1.183 -13.592 -6.622 1.00 0.00 C ATOM 874 C VAL A 57 -2.592 -13.273 -6.136 1.00 0.00 C ATOM 875 O VAL A 57 -3.489 -12.998 -6.937 1.00 0.00 O ATOM 876 CB VAL A 57 -0.250 -12.403 -6.297 1.00 0.00 C ATOM 877 CG1 VAL A 57 1.204 -12.796 -6.506 1.00 0.00 C ATOM 878 CG2 VAL A 57 -0.602 -11.187 -7.146 1.00 0.00 C ATOM 0 H VAL A 57 -1.403 -13.116 -8.652 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.816 -14.477 -6.103 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.391 -12.137 -5.249 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.847 -11.948 -6.273 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.453 -13.631 -5.851 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.355 -13.092 -7.544 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.069 -10.364 -6.899 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.495 -11.437 -8.202 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.631 -10.889 -6.946 1.00 0.00 H new ATOM 888 N ARG A 58 -2.779 -13.325 -4.824 1.00 0.00 N ATOM 889 CA ARG A 58 -4.061 -13.014 -4.213 1.00 0.00 C ATOM 890 C ARG A 58 -3.995 -11.648 -3.545 1.00 0.00 C ATOM 891 O ARG A 58 -3.274 -11.467 -2.562 1.00 0.00 O ATOM 892 CB ARG A 58 -4.427 -14.084 -3.181 1.00 0.00 C ATOM 893 CG ARG A 58 -5.780 -13.872 -2.526 1.00 0.00 C ATOM 894 CD ARG A 58 -6.017 -14.879 -1.411 1.00 0.00 C ATOM 895 NE ARG A 58 -5.936 -16.260 -1.890 1.00 0.00 N ATOM 896 CZ ARG A 58 -5.560 -17.290 -1.131 1.00 0.00 C ATOM 897 NH1 ARG A 58 -5.215 -17.097 0.136 1.00 0.00 N ATOM 898 NH2 ARG A 58 -5.518 -18.508 -1.648 1.00 0.00 N ATOM 0 H ARG A 58 -2.050 -13.582 -4.158 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.828 -12.997 -4.987 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.418 -15.060 -3.666 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.660 -14.106 -2.407 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.837 -12.861 -2.124 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.567 -13.963 -3.274 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.281 -14.726 -0.622 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.998 -14.706 -0.969 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.182 -16.445 -2.862 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.237 -16.158 0.533 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.928 -17.888 0.713 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.773 -18.657 -2.624 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.231 -19.298 -1.070 1.00 0.00 H new ATOM 912 N ILE A 59 -4.735 -10.690 -4.083 1.00 0.00 N ATOM 913 CA ILE A 59 -4.726 -9.335 -3.558 1.00 0.00 C ATOM 914 C ILE A 59 -5.853 -9.134 -2.549 1.00 0.00 C ATOM 915 O ILE A 59 -7.015 -9.438 -2.832 1.00 0.00 O ATOM 916 CB ILE A 59 -4.856 -8.295 -4.694 1.00 0.00 C ATOM 917 CG1 ILE A 59 -3.666 -8.414 -5.653 1.00 0.00 C ATOM 918 CG2 ILE A 59 -4.954 -6.882 -4.129 1.00 0.00 C ATOM 919 CD1 ILE A 59 -3.770 -7.521 -6.872 1.00 0.00 C ATOM 0 H ILE A 59 -5.350 -10.828 -4.885 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.770 -9.187 -3.056 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.773 -8.498 -5.247 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.751 -8.171 -5.113 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.577 -9.450 -5.980 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.045 -6.168 -4.948 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.830 -6.808 -3.484 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.058 -6.659 -3.550 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.892 -7.662 -7.502 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.666 -7.779 -7.436 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.827 -6.479 -6.556 1.00 0.00 H new ATOM 931 N GLU A 60 -5.492 -8.658 -1.367 1.00 0.00 N ATOM 932 CA GLU A 60 -6.466 -8.324 -0.337 1.00 0.00 C ATOM 933 C GLU A 60 -6.565 -6.812 -0.191 1.00 0.00 C ATOM 934 O GLU A 60 -7.601 -6.276 0.198 1.00 0.00 O ATOM 935 CB GLU A 60 -6.051 -8.915 1.010 1.00 0.00 C ATOM 936 CG GLU A 60 -5.672 -10.383 0.965 1.00 0.00 C ATOM 937 CD GLU A 60 -5.184 -10.878 2.309 1.00 0.00 C ATOM 938 OE1 GLU A 60 -4.254 -10.261 2.869 1.00 0.00 O ATOM 939 OE2 GLU A 60 -5.740 -11.869 2.822 1.00 0.00 O ATOM 0 H GLU A 60 -4.523 -8.493 -1.095 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.429 -8.739 -0.634 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.205 -8.346 1.396 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.871 -8.786 1.717 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.534 -10.972 0.652 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.894 -10.535 0.217 1.00 0.00 H new ATOM 946 N ARG A 61 -5.464 -6.133 -0.489 1.00 0.00 N ATOM 947 CA ARG A 61 -5.366 -4.694 -0.299 1.00 0.00 C ATOM 948 C ARG A 61 -4.419 -4.079 -1.321 1.00 0.00 C ATOM 949 O ARG A 61 -3.499 -4.736 -1.795 1.00 0.00 O ATOM 950 CB ARG A 61 -4.861 -4.386 1.115 1.00 0.00 C ATOM 951 CG ARG A 61 -5.894 -4.613 2.207 1.00 0.00 C ATOM 952 CD ARG A 61 -5.241 -4.987 3.527 1.00 0.00 C ATOM 953 NE ARG A 61 -4.740 -6.367 3.517 1.00 0.00 N ATOM 954 CZ ARG A 61 -3.860 -6.853 4.395 1.00 0.00 C ATOM 955 NH1 ARG A 61 -3.301 -6.054 5.298 1.00 0.00 N ATOM 956 NH2 ARG A 61 -3.519 -8.138 4.356 1.00 0.00 N ATOM 0 H ARG A 61 -4.620 -6.563 -0.867 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.358 -4.263 -0.435 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.989 -5.006 1.321 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.530 -3.348 1.153 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.490 -3.710 2.338 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.578 -5.405 1.902 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.417 -4.303 3.731 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.962 -4.868 4.336 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.087 -6.995 2.792 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.544 -5.064 5.323 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.629 -6.431 5.966 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.930 -8.754 3.654 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.846 -8.508 5.028 1.00 0.00 H new ATOM 970 N LEU A 62 -4.663 -2.829 -1.671 1.00 0.00 N ATOM 971 CA LEU A 62 -3.749 -2.076 -2.514 1.00 0.00 C ATOM 972 C LEU A 62 -3.273 -0.842 -1.766 1.00 0.00 C ATOM 973 O LEU A 62 -4.036 0.099 -1.575 1.00 0.00 O ATOM 974 CB LEU A 62 -4.412 -1.640 -3.832 1.00 0.00 C ATOM 975 CG LEU A 62 -4.952 -2.762 -4.722 1.00 0.00 C ATOM 976 CD1 LEU A 62 -6.357 -3.156 -4.304 1.00 0.00 C ATOM 977 CD2 LEU A 62 -4.926 -2.341 -6.183 1.00 0.00 C ATOM 0 H LEU A 62 -5.492 -2.310 -1.383 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.909 -2.726 -2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.235 -0.965 -3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.685 -1.066 -4.407 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.307 -3.633 -4.601 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.719 -3.955 -4.951 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.345 -3.503 -3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.017 -2.293 -4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.313 -3.150 -6.802 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.545 -1.454 -6.317 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.901 -2.117 -6.479 1.00 0.00 H new ATOM 989 N VAL A 63 -2.024 -0.845 -1.336 1.00 0.00 N ATOM 990 CA VAL A 63 -1.477 0.285 -0.605 1.00 0.00 C ATOM 991 C VAL A 63 -0.848 1.256 -1.580 1.00 0.00 C ATOM 992 O VAL A 63 0.263 1.033 -2.070 1.00 0.00 O ATOM 993 CB VAL A 63 -0.434 -0.148 0.443 1.00 0.00 C ATOM 994 CG1 VAL A 63 0.092 1.053 1.213 1.00 0.00 C ATOM 995 CG2 VAL A 63 -1.030 -1.170 1.395 1.00 0.00 C ATOM 0 H VAL A 63 -1.370 -1.615 -1.480 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.297 0.763 -0.070 1.00 0.00 H new ATOM 0 HB VAL A 63 0.403 -0.608 -0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.827 0.721 1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.561 1.752 0.521 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.734 1.547 1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.280 -1.465 2.129 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.887 -0.733 1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.352 -2.047 0.833 1.00 0.00 H new ATOM 1005 N ILE A 64 -1.567 2.319 -1.879 1.00 0.00 N ATOM 1006 CA ILE A 64 -1.143 3.248 -2.907 1.00 0.00 C ATOM 1007 C ILE A 64 -0.754 4.594 -2.311 1.00 0.00 C ATOM 1008 O ILE A 64 -1.453 5.143 -1.455 1.00 0.00 O ATOM 1009 CB ILE A 64 -2.243 3.450 -3.975 1.00 0.00 C ATOM 1010 CG1 ILE A 64 -2.733 2.095 -4.496 1.00 0.00 C ATOM 1011 CG2 ILE A 64 -1.721 4.300 -5.128 1.00 0.00 C ATOM 1012 CD1 ILE A 64 -3.811 2.203 -5.553 1.00 0.00 C ATOM 0 H ILE A 64 -2.448 2.561 -1.425 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.267 2.811 -3.387 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.080 3.972 -3.512 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.886 1.546 -4.908 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.115 1.510 -3.659 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.509 4.431 -5.869 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.412 5.275 -4.751 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.868 3.803 -5.590 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.108 1.204 -5.874 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.675 2.723 -5.140 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.428 2.760 -6.408 1.00 0.00 H new ATOM 1024 N GLN A 65 0.392 5.094 -2.743 1.00 0.00 N ATOM 1025 CA GLN A 65 0.832 6.434 -2.405 1.00 0.00 C ATOM 1026 C GLN A 65 0.863 7.281 -3.671 1.00 0.00 C ATOM 1027 O GLN A 65 1.783 7.153 -4.480 1.00 0.00 O ATOM 1028 CB GLN A 65 2.230 6.404 -1.786 1.00 0.00 C ATOM 1029 CG GLN A 65 2.297 5.740 -0.423 1.00 0.00 C ATOM 1030 CD GLN A 65 3.718 5.644 0.092 1.00 0.00 C ATOM 1031 OE1 GLN A 65 4.226 6.570 0.720 1.00 0.00 O ATOM 1032 NE2 GLN A 65 4.364 4.513 -0.146 1.00 0.00 N ATOM 0 H GLN A 65 1.042 4.581 -3.338 1.00 0.00 H new ATOM 0 HA GLN A 65 0.138 6.860 -1.680 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.904 5.881 -2.465 1.00 0.00 H new ATOM 0 HB3 GLN A 65 2.597 7.427 -1.697 1.00 0.00 H new ATOM 0 HG2 GLN A 65 1.692 6.305 0.286 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.865 4.741 -0.485 1.00 0.00 H new ATOM 0 HE21 GLN A 65 3.909 3.767 -0.671 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.317 4.388 0.196 1.00 0.00 H new ATOM 1041 N SER A 66 -0.136 8.127 -3.860 1.00 0.00 N ATOM 1042 CA SER A 66 -0.200 8.949 -5.059 1.00 0.00 C ATOM 1043 C SER A 66 -0.777 10.326 -4.757 1.00 0.00 C ATOM 1044 O SER A 66 -1.518 10.503 -3.791 1.00 0.00 O ATOM 1045 CB SER A 66 -1.028 8.242 -6.137 1.00 0.00 C ATOM 1046 OG SER A 66 -2.267 7.788 -5.620 1.00 0.00 O ATOM 0 H SER A 66 -0.907 8.263 -3.206 1.00 0.00 H new ATOM 0 HA SER A 66 0.816 9.091 -5.429 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.207 8.925 -6.968 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.466 7.397 -6.534 1.00 0.00 H new ATOM 0 HG SER A 66 -2.774 7.343 -6.330 1.00 0.00 H new ATOM 1052 N TYR A 67 -0.425 11.295 -5.589 1.00 0.00 N ATOM 1053 CA TYR A 67 -0.907 12.658 -5.430 1.00 0.00 C ATOM 1054 C TYR A 67 -1.771 13.073 -6.616 1.00 0.00 C ATOM 1055 O TYR A 67 -1.610 12.551 -7.720 1.00 0.00 O ATOM 1056 CB TYR A 67 0.264 13.635 -5.301 1.00 0.00 C ATOM 1057 CG TYR A 67 0.875 13.721 -3.920 1.00 0.00 C ATOM 1058 CD1 TYR A 67 0.075 13.845 -2.791 1.00 0.00 C ATOM 1059 CD2 TYR A 67 2.254 13.725 -3.751 1.00 0.00 C ATOM 1060 CE1 TYR A 67 0.632 13.967 -1.533 1.00 0.00 C ATOM 1061 CE2 TYR A 67 2.818 13.839 -2.495 1.00 0.00 C ATOM 1062 CZ TYR A 67 2.002 13.965 -1.389 1.00 0.00 C ATOM 1063 OH TYR A 67 2.558 14.095 -0.139 1.00 0.00 O ATOM 0 H TYR A 67 0.197 11.160 -6.386 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.507 12.688 -4.521 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.041 13.343 -6.008 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.077 14.628 -5.594 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.000 13.846 -2.899 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.895 13.638 -4.615 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.004 14.064 -0.666 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.892 13.830 -2.379 1.00 0.00 H new ATOM 0 HH TYR A 67 3.535 14.073 -0.212 1.00 0.00 H new ATOM 1073 N PHE A 68 -2.699 13.999 -6.353 1.00 0.00 N ATOM 1074 CA PHE A 68 -3.485 14.686 -7.392 1.00 0.00 C ATOM 1075 C PHE A 68 -4.596 13.814 -7.983 1.00 0.00 C ATOM 1076 O PHE A 68 -5.640 14.334 -8.379 1.00 0.00 O ATOM 1077 CB PHE A 68 -2.573 15.208 -8.509 1.00 0.00 C ATOM 1078 CG PHE A 68 -1.462 16.098 -8.018 1.00 0.00 C ATOM 1079 CD1 PHE A 68 -1.744 17.289 -7.368 1.00 0.00 C ATOM 1080 CD2 PHE A 68 -0.135 15.737 -8.201 1.00 0.00 C ATOM 1081 CE1 PHE A 68 -0.724 18.103 -6.911 1.00 0.00 C ATOM 1082 CE2 PHE A 68 0.887 16.547 -7.746 1.00 0.00 C ATOM 1083 CZ PHE A 68 0.592 17.732 -7.101 1.00 0.00 C ATOM 0 H PHE A 68 -2.930 14.298 -5.406 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.972 15.527 -6.898 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.140 14.359 -9.038 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.176 15.759 -9.230 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.772 17.585 -7.217 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.102 14.812 -8.705 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.957 19.029 -6.406 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.916 16.254 -7.894 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.390 18.367 -6.746 1.00 0.00 H new ATOM 1093 N VAL A 69 -4.366 12.505 -8.038 1.00 0.00 N ATOM 1094 CA VAL A 69 -5.319 11.558 -8.623 1.00 0.00 C ATOM 1095 C VAL A 69 -6.716 11.701 -8.015 1.00 0.00 C ATOM 1096 O VAL A 69 -6.858 11.839 -6.800 1.00 0.00 O ATOM 1097 CB VAL A 69 -4.836 10.099 -8.433 1.00 0.00 C ATOM 1098 CG1 VAL A 69 -5.799 9.109 -9.076 1.00 0.00 C ATOM 1099 CG2 VAL A 69 -3.436 9.921 -8.997 1.00 0.00 C ATOM 0 H VAL A 69 -3.516 12.069 -7.680 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.376 11.792 -9.686 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.809 9.894 -7.363 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.432 8.094 -8.925 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.784 9.210 -8.619 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.872 9.314 -10.144 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.115 8.889 -8.854 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.440 10.155 -10.061 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.748 10.590 -8.481 1.00 0.00 H new ATOM 1109 N GLN A 70 -7.736 11.688 -8.872 1.00 0.00 N ATOM 1110 CA GLN A 70 -9.120 11.714 -8.419 1.00 0.00 C ATOM 1111 C GLN A 70 -9.829 10.421 -8.815 1.00 0.00 C ATOM 1112 O GLN A 70 -9.995 9.525 -7.995 1.00 0.00 O ATOM 1113 CB GLN A 70 -9.866 12.919 -9.000 1.00 0.00 C ATOM 1114 CG GLN A 70 -11.346 12.943 -8.650 1.00 0.00 C ATOM 1115 CD GLN A 70 -12.102 14.040 -9.369 1.00 0.00 C ATOM 1116 OE1 GLN A 70 -11.719 14.460 -10.461 1.00 0.00 O ATOM 1117 NE2 GLN A 70 -13.190 14.499 -8.774 1.00 0.00 N ATOM 0 H GLN A 70 -7.626 11.660 -9.886 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.119 11.803 -7.333 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.400 13.835 -8.636 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.757 12.915 -10.085 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.789 11.979 -8.900 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.458 13.076 -7.574 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.473 14.124 -7.869 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.746 15.228 -9.220 1.00 0.00 H new ATOM 1126 N THR A 71 -10.225 10.312 -10.074 1.00 0.00 N ATOM 1127 CA THR A 71 -10.957 9.144 -10.533 1.00 0.00 C ATOM 1128 C THR A 71 -10.010 8.066 -11.048 1.00 0.00 C ATOM 1129 O THR A 71 -9.491 8.147 -12.165 1.00 0.00 O ATOM 1130 CB THR A 71 -11.984 9.515 -11.620 1.00 0.00 C ATOM 1131 OG1 THR A 71 -11.451 10.537 -12.473 1.00 0.00 O ATOM 1132 CG2 THR A 71 -13.285 9.998 -10.993 1.00 0.00 C ATOM 0 H THR A 71 -10.052 11.015 -10.792 1.00 0.00 H new ATOM 0 HA THR A 71 -11.498 8.746 -9.675 1.00 0.00 H new ATOM 0 HB THR A 71 -12.192 8.623 -12.211 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.110 10.765 -13.161 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.995 10.254 -11.780 1.00 0.00 H new ATOM 0 HG22 THR A 71 -13.704 9.208 -10.370 1.00 0.00 H new ATOM 0 HG23 THR A 71 -13.089 10.878 -10.380 1.00 0.00 H new ATOM 1140 N LEU A 72 -9.780 7.067 -10.214 1.00 0.00 N ATOM 1141 CA LEU A 72 -8.891 5.974 -10.554 1.00 0.00 C ATOM 1142 C LEU A 72 -9.686 4.698 -10.802 1.00 0.00 C ATOM 1143 O LEU A 72 -10.258 4.118 -9.878 1.00 0.00 O ATOM 1144 CB LEU A 72 -7.866 5.764 -9.435 1.00 0.00 C ATOM 1145 CG LEU A 72 -6.974 4.529 -9.578 1.00 0.00 C ATOM 1146 CD1 LEU A 72 -6.294 4.510 -10.935 1.00 0.00 C ATOM 1147 CD2 LEU A 72 -5.943 4.497 -8.464 1.00 0.00 C ATOM 0 H LEU A 72 -10.202 6.992 -9.288 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.358 6.226 -11.471 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.228 6.646 -9.381 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.399 5.697 -8.487 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.600 3.640 -9.501 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.665 3.623 -11.014 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.050 4.490 -11.720 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.678 5.403 -11.046 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.314 3.614 -8.576 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.324 5.393 -8.515 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.450 4.461 -7.500 1.00 0.00 H new ATOM 1159 N LYS A 73 -9.728 4.276 -12.055 1.00 0.00 N ATOM 1160 CA LYS A 73 -10.424 3.059 -12.425 1.00 0.00 C ATOM 1161 C LYS A 73 -9.429 1.909 -12.494 1.00 0.00 C ATOM 1162 O LYS A 73 -8.509 1.921 -13.313 1.00 0.00 O ATOM 1163 CB LYS A 73 -11.120 3.232 -13.777 1.00 0.00 C ATOM 1164 CG LYS A 73 -12.254 2.247 -14.010 1.00 0.00 C ATOM 1165 CD LYS A 73 -12.094 1.495 -15.320 1.00 0.00 C ATOM 1166 CE LYS A 73 -13.328 0.664 -15.627 1.00 0.00 C ATOM 1167 NZ LYS A 73 -13.147 -0.188 -16.830 1.00 0.00 N ATOM 0 H LYS A 73 -9.286 4.762 -12.835 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.182 2.839 -11.673 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.512 4.247 -13.847 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.383 3.119 -14.572 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.291 1.535 -13.185 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.204 2.782 -14.012 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.917 2.203 -16.130 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.219 0.847 -15.267 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.562 0.033 -14.769 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.181 1.326 -15.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.986 -0.110 -17.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.306 0.127 -17.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.022 -1.178 -16.538 1.00 0.00 H new ATOM 1181 N ILE A 74 -9.601 0.932 -11.624 1.00 0.00 N ATOM 1182 CA ILE A 74 -8.675 -0.182 -11.538 1.00 0.00 C ATOM 1183 C ILE A 74 -9.188 -1.376 -12.330 1.00 0.00 C ATOM 1184 O ILE A 74 -10.190 -1.999 -11.965 1.00 0.00 O ATOM 1185 CB ILE A 74 -8.447 -0.605 -10.074 1.00 0.00 C ATOM 1186 CG1 ILE A 74 -8.113 0.617 -9.215 1.00 0.00 C ATOM 1187 CG2 ILE A 74 -7.330 -1.635 -9.990 1.00 0.00 C ATOM 1188 CD1 ILE A 74 -8.290 0.377 -7.733 1.00 0.00 C ATOM 0 H ILE A 74 -10.377 0.887 -10.964 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.728 0.152 -11.962 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.363 -1.056 -9.694 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.082 0.915 -9.406 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.748 1.450 -9.519 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.180 -1.925 -8.950 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.600 -2.513 -10.576 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.409 -1.206 -10.384 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -8.036 1.284 -7.185 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.326 0.108 -7.529 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.635 -0.434 -7.415 1.00 0.00 H new ATOM 1200 N GLU A 75 -8.501 -1.677 -13.417 1.00 0.00 N ATOM 1201 CA GLU A 75 -8.814 -2.838 -14.231 1.00 0.00 C ATOM 1202 C GLU A 75 -7.907 -3.987 -13.807 1.00 0.00 C ATOM 1203 O GLU A 75 -6.789 -3.756 -13.341 1.00 0.00 O ATOM 1204 CB GLU A 75 -8.577 -2.517 -15.709 1.00 0.00 C ATOM 1205 CG GLU A 75 -9.604 -3.119 -16.651 1.00 0.00 C ATOM 1206 CD GLU A 75 -10.822 -2.236 -16.817 1.00 0.00 C ATOM 1207 OE1 GLU A 75 -11.754 -2.327 -15.994 1.00 0.00 O ATOM 1208 OE2 GLU A 75 -10.846 -1.425 -17.768 1.00 0.00 O ATOM 0 H GLU A 75 -7.714 -1.126 -13.760 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.859 -3.114 -14.094 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.573 -1.435 -15.838 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.587 -2.875 -15.992 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.145 -3.287 -17.625 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.914 -4.093 -16.272 1.00 0.00 H new ATOM 1215 N LYS A 76 -8.371 -5.214 -13.952 1.00 0.00 N ATOM 1216 CA LYS A 76 -7.546 -6.364 -13.612 1.00 0.00 C ATOM 1217 C LYS A 76 -7.479 -7.342 -14.775 1.00 0.00 C ATOM 1218 O LYS A 76 -8.466 -7.567 -15.473 1.00 0.00 O ATOM 1219 CB LYS A 76 -8.066 -7.060 -12.347 1.00 0.00 C ATOM 1220 CG LYS A 76 -9.509 -7.532 -12.442 1.00 0.00 C ATOM 1221 CD LYS A 76 -9.996 -8.115 -11.125 1.00 0.00 C ATOM 1222 CE LYS A 76 -9.348 -9.453 -10.813 1.00 0.00 C ATOM 1223 NZ LYS A 76 -9.862 -10.545 -11.686 1.00 0.00 N ATOM 0 H LYS A 76 -9.303 -5.442 -14.298 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.537 -6.005 -13.408 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.429 -7.917 -12.130 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.975 -6.374 -11.505 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.147 -6.696 -12.729 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.596 -8.283 -13.227 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.783 -7.413 -10.319 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.078 -8.238 -11.163 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.268 -9.369 -10.937 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.531 -9.708 -9.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.699 -11.463 -11.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.881 -10.413 -11.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.365 -10.523 -12.599 1.00 0.00 H new ATOM 1237 N SER A 77 -6.302 -7.901 -14.993 1.00 0.00 N ATOM 1238 CA SER A 77 -6.113 -8.894 -16.030 1.00 0.00 C ATOM 1239 C SER A 77 -5.464 -10.141 -15.444 1.00 0.00 C ATOM 1240 O SER A 77 -4.547 -10.052 -14.624 1.00 0.00 O ATOM 1241 CB SER A 77 -5.260 -8.325 -17.168 1.00 0.00 C ATOM 1242 OG SER A 77 -5.894 -7.207 -17.767 1.00 0.00 O ATOM 0 H SER A 77 -5.460 -7.681 -14.461 1.00 0.00 H new ATOM 0 HA SER A 77 -7.086 -9.166 -16.439 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.283 -8.031 -16.783 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.088 -9.096 -17.919 1.00 0.00 H new ATOM 0 HG SER A 77 -6.688 -7.505 -18.258 1.00 0.00 H new ATOM 1248 N THR A 78 -5.963 -11.297 -15.844 1.00 0.00 N ATOM 1249 CA THR A 78 -5.446 -12.565 -15.360 1.00 0.00 C ATOM 1250 C THR A 78 -4.803 -13.372 -16.487 1.00 0.00 C ATOM 1251 O THR A 78 -4.538 -14.566 -16.344 1.00 0.00 O ATOM 1252 CB THR A 78 -6.565 -13.390 -14.702 1.00 0.00 C ATOM 1253 OG1 THR A 78 -7.811 -13.164 -15.386 1.00 0.00 O ATOM 1254 CG2 THR A 78 -6.717 -13.033 -13.235 1.00 0.00 C ATOM 0 H THR A 78 -6.732 -11.384 -16.508 1.00 0.00 H new ATOM 0 HA THR A 78 -4.680 -12.344 -14.617 1.00 0.00 H new ATOM 0 HB THR A 78 -6.295 -14.443 -14.774 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.291 -12.426 -14.956 1.00 0.00 H new ATOM 0 HG21 THR A 78 -7.515 -13.632 -12.796 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.782 -13.235 -12.713 1.00 0.00 H new ATOM 0 HG23 THR A 78 -6.963 -11.975 -13.142 1.00 0.00 H new ATOM 1262 N SER A 79 -4.533 -12.700 -17.597 1.00 0.00 N ATOM 1263 CA SER A 79 -3.955 -13.346 -18.763 1.00 0.00 C ATOM 1264 C SER A 79 -2.430 -13.208 -18.750 1.00 0.00 C ATOM 1265 O SER A 79 -1.858 -12.599 -17.841 1.00 0.00 O ATOM 1266 CB SER A 79 -4.544 -12.726 -20.038 1.00 0.00 C ATOM 1267 OG SER A 79 -4.112 -13.409 -21.205 1.00 0.00 O ATOM 0 H SER A 79 -4.707 -11.702 -17.713 1.00 0.00 H new ATOM 0 HA SER A 79 -4.198 -14.408 -18.741 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.632 -12.750 -19.985 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.251 -11.678 -20.101 1.00 0.00 H new ATOM 0 HG SER A 79 -4.508 -12.988 -21.996 1.00 0.00 H new ATOM 1273 N LYS A 80 -1.782 -13.786 -19.759 1.00 0.00 N ATOM 1274 CA LYS A 80 -0.335 -13.675 -19.919 1.00 0.00 C ATOM 1275 C LYS A 80 0.006 -12.336 -20.564 1.00 0.00 C ATOM 1276 O LYS A 80 1.128 -11.836 -20.462 1.00 0.00 O ATOM 1277 CB LYS A 80 0.189 -14.830 -20.783 1.00 0.00 C ATOM 1278 CG LYS A 80 1.694 -14.799 -21.013 1.00 0.00 C ATOM 1279 CD LYS A 80 2.131 -15.873 -21.997 1.00 0.00 C ATOM 1280 CE LYS A 80 3.620 -15.784 -22.292 1.00 0.00 C ATOM 1281 NZ LYS A 80 4.049 -16.789 -23.300 1.00 0.00 N ATOM 0 H LYS A 80 -2.241 -14.340 -20.483 1.00 0.00 H new ATOM 0 HA LYS A 80 0.141 -13.730 -18.940 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.076 -15.775 -20.308 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.316 -14.806 -21.749 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.985 -13.819 -21.390 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.211 -14.942 -20.064 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.897 -16.857 -21.591 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.568 -15.769 -22.925 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.859 -14.784 -22.653 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.182 -15.933 -21.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.070 -16.694 -23.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.845 -17.745 -22.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.532 -16.632 -24.189 1.00 0.00 H new ATOM 1295 N GLU A 81 -0.981 -11.762 -21.226 1.00 0.00 N ATOM 1296 CA GLU A 81 -0.821 -10.477 -21.881 1.00 0.00 C ATOM 1297 C GLU A 81 -1.577 -9.407 -21.102 1.00 0.00 C ATOM 1298 O GLU A 81 -2.465 -9.729 -20.313 1.00 0.00 O ATOM 1299 CB GLU A 81 -1.354 -10.551 -23.312 1.00 0.00 C ATOM 1300 CG GLU A 81 -0.706 -11.637 -24.149 1.00 0.00 C ATOM 1301 CD GLU A 81 -1.297 -11.721 -25.538 1.00 0.00 C ATOM 1302 OE1 GLU A 81 -0.790 -11.032 -26.449 1.00 0.00 O ATOM 1303 OE2 GLU A 81 -2.271 -12.472 -25.729 1.00 0.00 O ATOM 0 H GLU A 81 -1.911 -12.170 -21.325 1.00 0.00 H new ATOM 0 HA GLU A 81 0.238 -10.220 -21.910 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.430 -10.722 -23.281 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.198 -9.588 -23.798 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.364 -11.445 -24.223 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.824 -12.598 -23.648 1.00 0.00 H new ATOM 1310 N PRO A 82 -1.240 -8.123 -21.310 1.00 0.00 N ATOM 1311 CA PRO A 82 -1.942 -6.998 -20.679 1.00 0.00 C ATOM 1312 C PRO A 82 -3.315 -6.748 -21.309 1.00 0.00 C ATOM 1313 O PRO A 82 -3.767 -5.607 -21.413 1.00 0.00 O ATOM 1314 CB PRO A 82 -1.016 -5.796 -20.937 1.00 0.00 C ATOM 1315 CG PRO A 82 0.244 -6.362 -21.504 1.00 0.00 C ATOM 1316 CD PRO A 82 -0.137 -7.657 -22.156 1.00 0.00 C ATOM 0 HA PRO A 82 -2.134 -7.185 -19.622 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.475 -5.092 -21.631 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.818 -5.251 -20.014 1.00 0.00 H new ATOM 0 HG2 PRO A 82 0.688 -5.678 -22.227 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.985 -6.523 -20.721 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.451 -7.514 -23.190 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.692 -8.365 -22.169 1.00 0.00 H new ATOM 1324 N VAL A 83 -3.980 -7.826 -21.706 1.00 0.00 N ATOM 1325 CA VAL A 83 -5.268 -7.743 -22.378 1.00 0.00 C ATOM 1326 C VAL A 83 -6.321 -8.524 -21.603 1.00 0.00 C ATOM 1327 O VAL A 83 -6.014 -9.122 -20.570 1.00 0.00 O ATOM 1328 CB VAL A 83 -5.198 -8.279 -23.827 1.00 0.00 C ATOM 1329 CG1 VAL A 83 -4.235 -7.449 -24.662 1.00 0.00 C ATOM 1330 CG2 VAL A 83 -4.795 -9.747 -23.846 1.00 0.00 C ATOM 0 H VAL A 83 -3.642 -8.779 -21.571 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.543 -6.689 -22.417 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.193 -8.195 -24.265 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.201 -7.843 -25.678 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.574 -6.413 -24.686 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.239 -7.495 -24.222 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.753 -10.100 -24.877 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.815 -9.861 -23.383 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.528 -10.333 -23.292 1.00 0.00 H new ATOM 1340 N ASP A 84 -7.546 -8.525 -22.130 1.00 0.00 N ATOM 1341 CA ASP A 84 -8.698 -9.146 -21.472 1.00 0.00 C ATOM 1342 C ASP A 84 -8.952 -8.472 -20.129 1.00 0.00 C ATOM 1343 O ASP A 84 -8.355 -8.820 -19.110 1.00 0.00 O ATOM 1344 CB ASP A 84 -8.506 -10.657 -21.302 1.00 0.00 C ATOM 1345 CG ASP A 84 -9.810 -11.373 -21.019 1.00 0.00 C ATOM 1346 OD1 ASP A 84 -10.828 -11.040 -21.670 1.00 0.00 O ATOM 1347 OD2 ASP A 84 -9.828 -12.277 -20.161 1.00 0.00 O ATOM 0 H ASP A 84 -7.769 -8.094 -23.027 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.572 -9.006 -22.109 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.057 -11.068 -22.206 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -7.807 -10.843 -20.486 1.00 0.00 H new ATOM 1352 N PHE A 85 -9.832 -7.488 -20.147 1.00 0.00 N ATOM 1353 CA PHE A 85 -9.996 -6.593 -19.017 1.00 0.00 C ATOM 1354 C PHE A 85 -11.169 -7.001 -18.140 1.00 0.00 C ATOM 1355 O PHE A 85 -12.318 -7.028 -18.590 1.00 0.00 O ATOM 1356 CB PHE A 85 -10.194 -5.161 -19.519 1.00 0.00 C ATOM 1357 CG PHE A 85 -9.143 -4.725 -20.502 1.00 0.00 C ATOM 1358 CD1 PHE A 85 -7.847 -4.471 -20.084 1.00 0.00 C ATOM 1359 CD2 PHE A 85 -9.451 -4.583 -21.846 1.00 0.00 C ATOM 1360 CE1 PHE A 85 -6.878 -4.078 -20.988 1.00 0.00 C ATOM 1361 CE2 PHE A 85 -8.486 -4.192 -22.754 1.00 0.00 C ATOM 1362 CZ PHE A 85 -7.197 -3.939 -22.324 1.00 0.00 C ATOM 0 H PHE A 85 -10.447 -7.288 -20.936 1.00 0.00 H new ATOM 0 HA PHE A 85 -9.093 -6.651 -18.409 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -11.175 -5.080 -19.987 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -10.190 -4.481 -18.667 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.591 -4.581 -19.041 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.457 -4.780 -22.187 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.872 -3.880 -20.649 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -8.738 -4.084 -23.799 1.00 0.00 H new ATOM 0 HZ PHE A 85 -6.441 -3.633 -23.032 1.00 0.00 H new ATOM 1372 N GLU A 86 -10.865 -7.329 -16.896 1.00 0.00 N ATOM 1373 CA GLU A 86 -11.886 -7.579 -15.895 1.00 0.00 C ATOM 1374 C GLU A 86 -12.088 -6.309 -15.078 1.00 0.00 C ATOM 1375 O GLU A 86 -11.124 -5.753 -14.546 1.00 0.00 O ATOM 1376 CB GLU A 86 -11.466 -8.721 -14.965 1.00 0.00 C ATOM 1377 CG GLU A 86 -11.028 -9.990 -15.678 1.00 0.00 C ATOM 1378 CD GLU A 86 -10.578 -11.063 -14.704 1.00 0.00 C ATOM 1379 OE1 GLU A 86 -11.431 -11.862 -14.261 1.00 0.00 O ATOM 1380 OE2 GLU A 86 -9.376 -11.104 -14.360 1.00 0.00 O ATOM 0 H GLU A 86 -9.909 -7.429 -16.553 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.813 -7.864 -16.393 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -10.649 -8.375 -14.333 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.300 -8.960 -14.305 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.853 -10.370 -16.281 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.213 -9.758 -16.364 1.00 0.00 H new ATOM 1387 N GLN A 87 -13.320 -5.842 -14.986 1.00 0.00 N ATOM 1388 CA GLN A 87 -13.607 -4.630 -14.235 1.00 0.00 C ATOM 1389 C GLN A 87 -13.558 -4.944 -12.744 1.00 0.00 C ATOM 1390 O GLN A 87 -14.319 -5.783 -12.253 1.00 0.00 O ATOM 1391 CB GLN A 87 -14.980 -4.070 -14.627 1.00 0.00 C ATOM 1392 CG GLN A 87 -15.060 -2.546 -14.607 1.00 0.00 C ATOM 1393 CD GLN A 87 -14.977 -1.940 -13.214 1.00 0.00 C ATOM 1394 OE1 GLN A 87 -14.436 -0.849 -13.037 1.00 0.00 O ATOM 1395 NE2 GLN A 87 -15.546 -2.610 -12.224 1.00 0.00 N ATOM 0 H GLN A 87 -14.134 -6.279 -15.418 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.859 -3.872 -14.467 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -15.233 -4.423 -15.627 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -15.732 -4.472 -13.948 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.252 -2.142 -15.216 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -15.996 -2.235 -15.072 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -15.986 -3.512 -12.405 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -15.545 -2.224 -11.280 1.00 0.00 H new ATOM 1404 N TRP A 88 -12.658 -4.288 -12.028 1.00 0.00 N ATOM 1405 CA TRP A 88 -12.479 -4.568 -10.614 1.00 0.00 C ATOM 1406 C TRP A 88 -13.133 -3.487 -9.759 1.00 0.00 C ATOM 1407 O TRP A 88 -14.280 -3.636 -9.330 1.00 0.00 O ATOM 1408 CB TRP A 88 -10.990 -4.688 -10.287 1.00 0.00 C ATOM 1409 CG TRP A 88 -10.702 -5.376 -8.985 1.00 0.00 C ATOM 1410 CD1 TRP A 88 -11.568 -6.126 -8.235 1.00 0.00 C ATOM 1411 CD2 TRP A 88 -9.451 -5.397 -8.290 1.00 0.00 C ATOM 1412 NE1 TRP A 88 -10.931 -6.603 -7.116 1.00 0.00 N ATOM 1413 CE2 TRP A 88 -9.631 -6.169 -7.126 1.00 0.00 C ATOM 1414 CE3 TRP A 88 -8.197 -4.836 -8.537 1.00 0.00 C ATOM 1415 CZ2 TRP A 88 -8.601 -6.393 -6.216 1.00 0.00 C ATOM 1416 CZ3 TRP A 88 -7.177 -5.059 -7.633 1.00 0.00 C ATOM 1417 CH2 TRP A 88 -7.385 -5.832 -6.485 1.00 0.00 C ATOM 0 H TRP A 88 -12.045 -3.563 -12.400 1.00 0.00 H new ATOM 0 HA TRP A 88 -12.965 -5.516 -10.384 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -10.495 -5.233 -11.091 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -10.553 -3.690 -10.263 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -12.601 -6.315 -8.487 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -11.356 -7.186 -6.395 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -8.027 -4.238 -9.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -8.758 -6.989 -5.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -6.203 -4.630 -7.815 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.567 -5.988 -5.797 1.00 0.00 H new ATOM 1428 N ILE A 89 -12.419 -2.389 -9.540 1.00 0.00 N ATOM 1429 CA ILE A 89 -12.892 -1.330 -8.656 1.00 0.00 C ATOM 1430 C ILE A 89 -12.455 0.044 -9.143 1.00 0.00 C ATOM 1431 O ILE A 89 -11.306 0.240 -9.517 1.00 0.00 O ATOM 1432 CB ILE A 89 -12.396 -1.530 -7.201 1.00 0.00 C ATOM 1433 CG1 ILE A 89 -10.907 -1.896 -7.183 1.00 0.00 C ATOM 1434 CG2 ILE A 89 -13.223 -2.590 -6.484 1.00 0.00 C ATOM 1435 CD1 ILE A 89 -10.334 -2.067 -5.792 1.00 0.00 C ATOM 0 H ILE A 89 -11.509 -2.209 -9.963 1.00 0.00 H new ATOM 0 HA ILE A 89 -13.980 -1.386 -8.671 1.00 0.00 H new ATOM 0 HB ILE A 89 -12.523 -0.588 -6.667 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -10.764 -2.822 -7.741 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -10.346 -1.120 -7.704 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -12.855 -2.711 -5.465 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -14.268 -2.280 -6.458 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.139 -3.538 -7.015 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -9.277 -2.325 -5.863 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -10.444 -1.136 -5.236 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.868 -2.864 -5.274 1.00 0.00 H new ATOM 1447 N GLU A 90 -13.383 0.985 -9.159 1.00 0.00 N ATOM 1448 CA GLU A 90 -13.060 2.375 -9.448 1.00 0.00 C ATOM 1449 C GLU A 90 -13.205 3.194 -8.175 1.00 0.00 C ATOM 1450 O GLU A 90 -14.190 3.048 -7.452 1.00 0.00 O ATOM 1451 CB GLU A 90 -13.976 2.936 -10.539 1.00 0.00 C ATOM 1452 CG GLU A 90 -13.700 4.396 -10.865 1.00 0.00 C ATOM 1453 CD GLU A 90 -14.658 4.961 -11.889 1.00 0.00 C ATOM 1454 OE1 GLU A 90 -15.870 5.042 -11.591 1.00 0.00 O ATOM 1455 OE2 GLU A 90 -14.210 5.325 -12.993 1.00 0.00 O ATOM 0 H GLU A 90 -14.371 0.812 -8.975 1.00 0.00 H new ATOM 0 HA GLU A 90 -12.033 2.431 -9.810 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.858 2.340 -11.444 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.014 2.832 -10.222 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -13.764 4.986 -9.951 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.680 4.494 -11.236 1.00 0.00 H new ATOM 1462 N LYS A 91 -12.229 4.040 -7.889 1.00 0.00 N ATOM 1463 CA LYS A 91 -12.262 4.816 -6.661 1.00 0.00 C ATOM 1464 C LYS A 91 -11.990 6.288 -6.937 1.00 0.00 C ATOM 1465 O LYS A 91 -11.213 6.626 -7.831 1.00 0.00 O ATOM 1466 CB LYS A 91 -11.217 4.286 -5.679 1.00 0.00 C ATOM 1467 CG LYS A 91 -11.676 4.304 -4.231 1.00 0.00 C ATOM 1468 CD LYS A 91 -10.501 4.199 -3.275 1.00 0.00 C ATOM 1469 CE LYS A 91 -10.956 3.870 -1.864 1.00 0.00 C ATOM 1470 NZ LYS A 91 -9.876 4.096 -0.871 1.00 0.00 N ATOM 0 H LYS A 91 -11.415 4.206 -8.481 1.00 0.00 H new ATOM 0 HA LYS A 91 -13.258 4.719 -6.229 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.956 3.264 -5.956 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.309 4.883 -5.771 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -12.226 5.224 -4.034 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -12.364 3.477 -4.056 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.814 3.429 -3.625 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.950 5.139 -3.270 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.820 4.484 -1.608 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.279 2.830 -1.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.993 3.437 -0.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.952 3.936 -1.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.926 5.074 -0.520 1.00 0.00 H new ATOM 1484 N ASP A 92 -12.643 7.163 -6.183 1.00 0.00 N ATOM 1485 CA ASP A 92 -12.318 8.578 -6.230 1.00 0.00 C ATOM 1486 C ASP A 92 -11.409 8.917 -5.053 1.00 0.00 C ATOM 1487 O ASP A 92 -11.820 8.905 -3.891 1.00 0.00 O ATOM 1488 CB ASP A 92 -13.578 9.463 -6.253 1.00 0.00 C ATOM 1489 CG ASP A 92 -14.379 9.438 -4.965 1.00 0.00 C ATOM 1490 OD1 ASP A 92 -14.978 8.389 -4.651 1.00 0.00 O ATOM 1491 OD2 ASP A 92 -14.437 10.482 -4.277 1.00 0.00 O ATOM 0 H ASP A 92 -13.394 6.918 -5.538 1.00 0.00 H new ATOM 0 HA ASP A 92 -11.792 8.787 -7.161 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -13.283 10.491 -6.464 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -14.220 9.141 -7.073 1.00 0.00 H new ATOM 1496 N LEU A 93 -10.153 9.164 -5.366 1.00 0.00 N ATOM 1497 CA LEU A 93 -9.138 9.394 -4.360 1.00 0.00 C ATOM 1498 C LEU A 93 -9.220 10.831 -3.863 1.00 0.00 C ATOM 1499 O LEU A 93 -9.058 11.777 -4.633 1.00 0.00 O ATOM 1500 CB LEU A 93 -7.753 9.087 -4.954 1.00 0.00 C ATOM 1501 CG LEU A 93 -6.623 8.820 -3.950 1.00 0.00 C ATOM 1502 CD1 LEU A 93 -5.450 8.151 -4.651 1.00 0.00 C ATOM 1503 CD2 LEU A 93 -6.157 10.107 -3.286 1.00 0.00 C ATOM 0 H LEU A 93 -9.808 9.211 -6.325 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.302 8.734 -3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.845 8.217 -5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.458 9.926 -5.585 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.012 8.158 -3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.653 7.966 -3.931 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.776 7.205 -5.083 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.079 8.803 -5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.356 9.883 -2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.789 10.796 -4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.991 10.565 -2.755 1.00 0.00 H new ATOM 1515 N VAL A 94 -9.502 10.992 -2.581 1.00 0.00 N ATOM 1516 CA VAL A 94 -9.542 12.309 -1.978 1.00 0.00 C ATOM 1517 C VAL A 94 -8.125 12.754 -1.644 1.00 0.00 C ATOM 1518 O VAL A 94 -7.484 12.200 -0.751 1.00 0.00 O ATOM 1519 CB VAL A 94 -10.402 12.332 -0.698 1.00 0.00 C ATOM 1520 CG1 VAL A 94 -10.515 13.748 -0.152 1.00 0.00 C ATOM 1521 CG2 VAL A 94 -11.781 11.747 -0.965 1.00 0.00 C ATOM 0 H VAL A 94 -9.706 10.226 -1.940 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.997 12.991 -2.696 1.00 0.00 H new ATOM 0 HB VAL A 94 -9.910 11.715 0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.126 13.742 0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -9.521 14.127 0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -10.980 14.390 -0.900 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -12.371 11.773 -0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.282 12.333 -1.736 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.680 10.715 -1.302 1.00 0.00 H new ATOM 1531 N HIS A 95 -7.632 13.735 -2.387 1.00 0.00 N ATOM 1532 CA HIS A 95 -6.274 14.214 -2.200 1.00 0.00 C ATOM 1533 C HIS A 95 -6.108 14.876 -0.845 1.00 0.00 C ATOM 1534 O HIS A 95 -6.847 15.792 -0.489 1.00 0.00 O ATOM 1535 CB HIS A 95 -5.877 15.199 -3.304 1.00 0.00 C ATOM 1536 CG HIS A 95 -4.503 15.777 -3.119 1.00 0.00 C ATOM 1537 ND1 HIS A 95 -4.233 17.125 -3.201 1.00 0.00 N ATOM 1538 CD2 HIS A 95 -3.311 15.174 -2.876 1.00 0.00 C ATOM 1539 CE1 HIS A 95 -2.942 17.328 -3.029 1.00 0.00 C ATOM 1540 NE2 HIS A 95 -2.361 16.164 -2.828 1.00 0.00 N ATOM 0 H HIS A 95 -8.153 14.212 -3.123 1.00 0.00 H new ATOM 0 HA HIS A 95 -5.617 13.345 -2.251 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.923 14.692 -4.268 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.604 16.011 -3.336 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -4.926 17.854 -3.369 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.142 14.115 -2.745 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -2.445 18.287 -3.050 1.00 0.00 H new ATOM 1548 N THR A 96 -5.134 14.396 -0.099 1.00 0.00 N ATOM 1549 CA THR A 96 -4.745 15.023 1.140 1.00 0.00 C ATOM 1550 C THR A 96 -3.833 16.206 0.859 1.00 0.00 C ATOM 1551 O THR A 96 -2.751 16.046 0.289 1.00 0.00 O ATOM 1552 CB THR A 96 -4.026 14.016 2.045 1.00 0.00 C ATOM 1553 OG1 THR A 96 -3.043 13.295 1.285 1.00 0.00 O ATOM 1554 CG2 THR A 96 -5.019 13.039 2.642 1.00 0.00 C ATOM 0 H THR A 96 -4.594 13.564 -0.336 1.00 0.00 H new ATOM 0 HA THR A 96 -5.642 15.375 1.649 1.00 0.00 H new ATOM 0 HB THR A 96 -3.536 14.561 2.852 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.167 13.383 1.716 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.493 12.331 3.282 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.755 13.584 3.233 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.524 12.499 1.841 1.00 0.00 H new ATOM 1562 N GLU A 97 -4.274 17.391 1.234 1.00 0.00 N ATOM 1563 CA GLU A 97 -3.492 18.589 0.997 1.00 0.00 C ATOM 1564 C GLU A 97 -2.356 18.671 1.972 1.00 0.00 C ATOM 1565 O GLU A 97 -2.567 18.761 3.181 1.00 0.00 O ATOM 1566 CB GLU A 97 -4.330 19.848 1.124 1.00 0.00 C ATOM 1567 CG GLU A 97 -5.400 19.964 0.076 1.00 0.00 C ATOM 1568 CD GLU A 97 -4.855 19.946 -1.340 1.00 0.00 C ATOM 1569 OE1 GLU A 97 -3.839 20.622 -1.599 1.00 0.00 O ATOM 1570 OE2 GLU A 97 -5.437 19.248 -2.199 1.00 0.00 O ATOM 0 H GLU A 97 -5.166 17.550 1.702 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.113 18.523 -0.023 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.795 19.868 2.110 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.676 20.718 1.062 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.108 19.144 0.196 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.955 20.889 0.233 1.00 0.00 H new ATOM 1577 N GLY A 98 -1.156 18.616 1.452 1.00 0.00 N ATOM 1578 CA GLY A 98 -0.008 18.803 2.283 1.00 0.00 C ATOM 1579 C GLY A 98 0.441 17.522 2.973 1.00 0.00 C ATOM 1580 O GLY A 98 1.603 17.385 3.358 1.00 0.00 O ATOM 0 H GLY A 98 -0.956 18.445 0.467 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.812 19.190 1.679 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -0.231 19.557 3.038 1.00 0.00 H new ATOM 1584 N GLN A 99 -0.478 16.578 3.117 1.00 0.00 N ATOM 1585 CA GLN A 99 -0.210 15.350 3.856 1.00 0.00 C ATOM 1586 C GLN A 99 0.101 14.190 2.917 1.00 0.00 C ATOM 1587 O GLN A 99 -0.524 14.044 1.866 1.00 0.00 O ATOM 1588 CB GLN A 99 -1.418 14.985 4.724 1.00 0.00 C ATOM 1589 CG GLN A 99 -1.816 16.067 5.716 1.00 0.00 C ATOM 1590 CD GLN A 99 -3.096 15.733 6.458 1.00 0.00 C ATOM 1591 OE1 GLN A 99 -4.189 16.070 6.009 1.00 0.00 O ATOM 1592 NE2 GLN A 99 -2.971 15.071 7.598 1.00 0.00 N ATOM 0 H GLN A 99 -1.420 16.639 2.730 1.00 0.00 H new ATOM 0 HA GLN A 99 0.661 15.528 4.486 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.267 14.771 4.075 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -1.196 14.069 5.271 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.010 16.210 6.435 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.943 17.012 5.187 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -2.045 14.809 7.937 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -3.800 14.823 8.137 1.00 0.00 H new ATOM 1601 N LEU A 100 1.078 13.378 3.296 1.00 0.00 N ATOM 1602 CA LEU A 100 1.387 12.155 2.570 1.00 0.00 C ATOM 1603 C LEU A 100 0.782 10.969 3.314 1.00 0.00 C ATOM 1604 O LEU A 100 1.138 10.703 4.464 1.00 0.00 O ATOM 1605 CB LEU A 100 2.913 11.998 2.418 1.00 0.00 C ATOM 1606 CG LEU A 100 3.406 10.856 1.505 1.00 0.00 C ATOM 1607 CD1 LEU A 100 3.342 9.508 2.209 1.00 0.00 C ATOM 1608 CD2 LEU A 100 2.602 10.814 0.211 1.00 0.00 C ATOM 0 H LEU A 100 1.673 13.546 4.107 1.00 0.00 H new ATOM 0 HA LEU A 100 0.958 12.199 1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.315 12.936 2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.340 11.849 3.410 1.00 0.00 H new ATOM 0 HG LEU A 100 4.449 11.059 1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.697 8.728 1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.971 9.532 3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.312 9.297 2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.966 10.002 -0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 100 1.549 10.650 0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.714 11.760 -0.318 1.00 0.00 H new ATOM 1620 N GLN A 101 -0.137 10.270 2.666 1.00 0.00 N ATOM 1621 CA GLN A 101 -0.819 9.150 3.297 1.00 0.00 C ATOM 1622 C GLN A 101 -0.557 7.854 2.538 1.00 0.00 C ATOM 1623 O GLN A 101 -0.236 7.871 1.349 1.00 0.00 O ATOM 1624 CB GLN A 101 -2.331 9.399 3.361 1.00 0.00 C ATOM 1625 CG GLN A 101 -3.007 9.412 1.995 1.00 0.00 C ATOM 1626 CD GLN A 101 -4.520 9.445 2.088 1.00 0.00 C ATOM 1627 OE1 GLN A 101 -5.107 8.950 3.049 1.00 0.00 O ATOM 1628 NE2 GLN A 101 -5.162 10.013 1.080 1.00 0.00 N ATOM 0 H GLN A 101 -0.427 10.457 1.706 1.00 0.00 H new ATOM 0 HA GLN A 101 -0.426 9.057 4.309 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -2.792 8.627 3.978 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -2.513 10.353 3.856 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -2.663 10.280 1.433 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -2.701 8.528 1.435 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -4.638 10.412 0.301 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -6.181 10.052 1.082 1.00 0.00 H new ATOM 1637 N ASN A 102 -0.683 6.741 3.240 1.00 0.00 N ATOM 1638 CA ASN A 102 -0.654 5.428 2.616 1.00 0.00 C ATOM 1639 C ASN A 102 -2.063 4.861 2.642 1.00 0.00 C ATOM 1640 O ASN A 102 -2.542 4.455 3.700 1.00 0.00 O ATOM 1641 CB ASN A 102 0.276 4.467 3.369 1.00 0.00 C ATOM 1642 CG ASN A 102 1.630 5.060 3.708 1.00 0.00 C ATOM 1643 OD1 ASN A 102 1.790 5.718 4.736 1.00 0.00 O ATOM 1644 ND2 ASN A 102 2.621 4.798 2.874 1.00 0.00 N ATOM 0 H ASN A 102 -0.808 6.721 4.252 1.00 0.00 H new ATOM 0 HA ASN A 102 -0.282 5.533 1.597 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -0.213 4.152 4.291 1.00 0.00 H new ATOM 0 HB3 ASN A 102 0.424 3.572 2.765 1.00 0.00 H new ATOM 0 HD21 ASN A 102 3.560 5.145 3.072 1.00 0.00 H new ATOM 0 HD22 ASN A 102 2.447 4.249 2.032 1.00 0.00 H new ATOM 1651 N GLU A 103 -2.745 4.854 1.507 1.00 0.00 N ATOM 1652 CA GLU A 103 -4.115 4.369 1.484 1.00 0.00 C ATOM 1653 C GLU A 103 -4.153 2.889 1.145 1.00 0.00 C ATOM 1654 O GLU A 103 -3.672 2.469 0.093 1.00 0.00 O ATOM 1655 CB GLU A 103 -4.973 5.149 0.488 1.00 0.00 C ATOM 1656 CG GLU A 103 -6.445 4.780 0.585 1.00 0.00 C ATOM 1657 CD GLU A 103 -7.295 5.370 -0.519 1.00 0.00 C ATOM 1658 OE1 GLU A 103 -7.417 4.726 -1.580 1.00 0.00 O ATOM 1659 OE2 GLU A 103 -7.897 6.440 -0.305 1.00 0.00 O ATOM 0 H GLU A 103 -2.382 5.171 0.608 1.00 0.00 H new ATOM 0 HA GLU A 103 -4.529 4.520 2.481 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.855 6.217 0.669 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.618 4.956 -0.524 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.540 3.694 0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.832 5.115 1.547 1.00 0.00 H new ATOM 1666 N GLU A 104 -4.700 2.104 2.059 1.00 0.00 N ATOM 1667 CA GLU A 104 -4.892 0.683 1.840 1.00 0.00 C ATOM 1668 C GLU A 104 -6.285 0.427 1.273 1.00 0.00 C ATOM 1669 O GLU A 104 -7.287 0.489 1.994 1.00 0.00 O ATOM 1670 CB GLU A 104 -4.713 -0.108 3.143 1.00 0.00 C ATOM 1671 CG GLU A 104 -3.455 0.246 3.925 1.00 0.00 C ATOM 1672 CD GLU A 104 -3.664 1.391 4.900 1.00 0.00 C ATOM 1673 OE1 GLU A 104 -4.676 2.116 4.773 1.00 0.00 O ATOM 1674 OE2 GLU A 104 -2.825 1.561 5.811 1.00 0.00 O ATOM 0 H GLU A 104 -5.022 2.434 2.969 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.139 0.347 1.127 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.582 0.062 3.779 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.693 -1.172 2.908 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.115 -0.633 4.473 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.662 0.512 3.226 1.00 0.00 H new ATOM 1681 N ILE A 105 -6.351 0.174 -0.019 1.00 0.00 N ATOM 1682 CA ILE A 105 -7.605 -0.153 -0.674 1.00 0.00 C ATOM 1683 C ILE A 105 -7.950 -1.616 -0.433 1.00 0.00 C ATOM 1684 O ILE A 105 -7.365 -2.507 -1.040 1.00 0.00 O ATOM 1685 CB ILE A 105 -7.528 0.116 -2.195 1.00 0.00 C ATOM 1686 CG1 ILE A 105 -7.222 1.594 -2.456 1.00 0.00 C ATOM 1687 CG2 ILE A 105 -8.823 -0.297 -2.884 1.00 0.00 C ATOM 1688 CD1 ILE A 105 -7.091 1.941 -3.923 1.00 0.00 C ATOM 0 H ILE A 105 -5.544 0.189 -0.642 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.382 0.483 -0.251 1.00 0.00 H new ATOM 0 HB ILE A 105 -6.720 -0.485 -2.612 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -8.013 2.202 -2.018 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -6.296 1.859 -1.945 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -8.746 -0.099 -3.953 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -8.997 -1.361 -2.724 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -9.654 0.273 -2.468 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.874 3.004 -4.027 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.280 1.361 -4.363 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -8.024 1.709 -4.437 1.00 0.00 H new ATOM 1700 N VAL A 106 -8.873 -1.865 0.479 1.00 0.00 N ATOM 1701 CA VAL A 106 -9.276 -3.224 0.791 1.00 0.00 C ATOM 1702 C VAL A 106 -10.163 -3.780 -0.315 1.00 0.00 C ATOM 1703 O VAL A 106 -11.293 -3.329 -0.506 1.00 0.00 O ATOM 1704 CB VAL A 106 -10.011 -3.308 2.142 1.00 0.00 C ATOM 1705 CG1 VAL A 106 -10.419 -4.739 2.451 1.00 0.00 C ATOM 1706 CG2 VAL A 106 -9.138 -2.748 3.254 1.00 0.00 C ATOM 0 H VAL A 106 -9.357 -1.145 1.016 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.369 -3.823 0.865 1.00 0.00 H new ATOM 0 HB VAL A 106 -10.918 -2.707 2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -10.936 -4.771 3.410 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -11.083 -5.105 1.668 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.531 -5.369 2.497 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -9.671 -2.814 4.203 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.214 -3.323 3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.903 -1.705 3.042 1.00 0.00 H new ATOM 1716 N ALA A 107 -9.631 -4.743 -1.045 1.00 0.00 N ATOM 1717 CA ALA A 107 -10.339 -5.344 -2.162 1.00 0.00 C ATOM 1718 C ALA A 107 -9.792 -6.731 -2.450 1.00 0.00 C ATOM 1719 O ALA A 107 -8.580 -6.932 -2.471 1.00 0.00 O ATOM 1720 CB ALA A 107 -10.220 -4.467 -3.395 1.00 0.00 C ATOM 0 H ALA A 107 -8.701 -5.129 -0.882 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.393 -5.433 -1.897 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -10.755 -4.930 -4.224 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -10.650 -3.487 -3.187 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -9.169 -4.353 -3.660 1.00 0.00 H new ATOM 1726 N HIS A 108 -10.680 -7.680 -2.682 1.00 0.00 N ATOM 1727 CA HIS A 108 -10.268 -9.041 -2.977 1.00 0.00 C ATOM 1728 C HIS A 108 -10.301 -9.288 -4.475 1.00 0.00 C ATOM 1729 O HIS A 108 -11.329 -9.101 -5.128 1.00 0.00 O ATOM 1730 CB HIS A 108 -11.170 -10.055 -2.268 1.00 0.00 C ATOM 1731 CG HIS A 108 -10.952 -10.137 -0.790 1.00 0.00 C ATOM 1732 ND1 HIS A 108 -11.980 -10.123 0.124 1.00 0.00 N ATOM 1733 CD2 HIS A 108 -9.815 -10.274 -0.068 1.00 0.00 C ATOM 1734 CE1 HIS A 108 -11.486 -10.248 1.342 1.00 0.00 C ATOM 1735 NE2 HIS A 108 -10.171 -10.343 1.257 1.00 0.00 N ATOM 0 H HIS A 108 -11.690 -7.535 -2.672 1.00 0.00 H new ATOM 0 HA HIS A 108 -9.249 -9.169 -2.612 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -12.211 -9.794 -2.457 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -11.004 -11.040 -2.704 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -8.811 -10.321 -0.462 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -12.061 -10.269 2.256 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -9.529 -10.450 2.042 1.00 0.00 H new ATOM 1743 N GLY A 109 -9.158 -9.676 -5.016 1.00 0.00 N ATOM 1744 CA GLY A 109 -9.074 -9.993 -6.422 1.00 0.00 C ATOM 1745 C GLY A 109 -7.784 -10.703 -6.763 1.00 0.00 C ATOM 1746 O GLY A 109 -6.765 -10.510 -6.100 1.00 0.00 O ATOM 0 H GLY A 109 -8.283 -9.777 -4.502 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.919 -10.621 -6.704 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -9.149 -9.076 -7.006 1.00 0.00 H new ATOM 1750 N SER A 110 -7.829 -11.541 -7.782 1.00 0.00 N ATOM 1751 CA SER A 110 -6.643 -12.230 -8.256 1.00 0.00 C ATOM 1752 C SER A 110 -6.275 -11.703 -9.633 1.00 0.00 C ATOM 1753 O SER A 110 -7.132 -11.619 -10.511 1.00 0.00 O ATOM 1754 CB SER A 110 -6.902 -13.734 -8.324 1.00 0.00 C ATOM 1755 OG SER A 110 -7.566 -14.190 -7.159 1.00 0.00 O ATOM 0 H SER A 110 -8.679 -11.762 -8.300 1.00 0.00 H new ATOM 0 HA SER A 110 -5.819 -12.050 -7.566 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.505 -13.963 -9.203 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.957 -14.264 -8.439 1.00 0.00 H new ATOM 0 HG SER A 110 -7.722 -15.155 -7.228 1.00 0.00 H new ATOM 1761 N ALA A 111 -5.022 -11.332 -9.824 1.00 0.00 N ATOM 1762 CA ALA A 111 -4.598 -10.784 -11.099 1.00 0.00 C ATOM 1763 C ALA A 111 -3.121 -11.023 -11.345 1.00 0.00 C ATOM 1764 O ALA A 111 -2.348 -11.248 -10.413 1.00 0.00 O ATOM 1765 CB ALA A 111 -4.906 -9.295 -11.162 1.00 0.00 C ATOM 0 H ALA A 111 -4.287 -11.399 -9.120 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.155 -11.298 -11.882 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -4.583 -8.897 -12.124 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.979 -9.140 -11.047 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -4.377 -8.780 -10.360 1.00 0.00 H new ATOM 1771 N THR A 112 -2.752 -11.007 -12.614 1.00 0.00 N ATOM 1772 CA THR A 112 -1.362 -11.040 -13.020 1.00 0.00 C ATOM 1773 C THR A 112 -0.950 -9.654 -13.505 1.00 0.00 C ATOM 1774 O THR A 112 0.228 -9.284 -13.472 1.00 0.00 O ATOM 1775 CB THR A 112 -1.144 -12.079 -14.137 1.00 0.00 C ATOM 1776 OG1 THR A 112 -2.245 -12.036 -15.057 1.00 0.00 O ATOM 1777 CG2 THR A 112 -1.015 -13.480 -13.563 1.00 0.00 C ATOM 0 H THR A 112 -3.411 -10.971 -13.392 1.00 0.00 H new ATOM 0 HA THR A 112 -0.748 -11.328 -12.166 1.00 0.00 H new ATOM 0 HB THR A 112 -0.218 -11.834 -14.656 1.00 0.00 H new ATOM 0 HG1 THR A 112 -1.933 -12.284 -15.952 1.00 0.00 H new ATOM 0 HG21 THR A 112 -0.862 -14.193 -14.373 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.165 -13.517 -12.882 1.00 0.00 H new ATOM 0 HG23 THR A 112 -1.925 -13.737 -13.021 1.00 0.00 H new ATOM 1785 N TYR A 113 -1.948 -8.896 -13.948 1.00 0.00 N ATOM 1786 CA TYR A 113 -1.761 -7.526 -14.403 1.00 0.00 C ATOM 1787 C TYR A 113 -2.770 -6.605 -13.723 1.00 0.00 C ATOM 1788 O TYR A 113 -3.952 -6.936 -13.622 1.00 0.00 O ATOM 1789 CB TYR A 113 -1.940 -7.430 -15.924 1.00 0.00 C ATOM 1790 CG TYR A 113 -0.839 -8.079 -16.733 1.00 0.00 C ATOM 1791 CD1 TYR A 113 -0.804 -9.454 -16.929 1.00 0.00 C ATOM 1792 CD2 TYR A 113 0.163 -7.309 -17.312 1.00 0.00 C ATOM 1793 CE1 TYR A 113 0.200 -10.042 -17.673 1.00 0.00 C ATOM 1794 CE2 TYR A 113 1.168 -7.891 -18.059 1.00 0.00 C ATOM 1795 CZ TYR A 113 1.181 -9.257 -18.235 1.00 0.00 C ATOM 1796 OH TYR A 113 2.184 -9.838 -18.976 1.00 0.00 O ATOM 0 H TYR A 113 -2.914 -9.218 -14.001 1.00 0.00 H new ATOM 0 HA TYR A 113 -0.748 -7.219 -14.143 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -2.890 -7.891 -16.194 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -2.005 -6.378 -16.203 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -1.574 -10.073 -16.493 1.00 0.00 H new ATOM 0 HD2 TYR A 113 0.155 -6.238 -17.175 1.00 0.00 H new ATOM 0 HE1 TYR A 113 0.215 -11.113 -17.813 1.00 0.00 H new ATOM 0 HE2 TYR A 113 1.939 -7.279 -18.503 1.00 0.00 H new ATOM 0 HH TYR A 113 1.811 -10.565 -19.518 1.00 0.00 H new ATOM 1806 N LEU A 114 -2.300 -5.459 -13.256 1.00 0.00 N ATOM 1807 CA LEU A 114 -3.177 -4.434 -12.706 1.00 0.00 C ATOM 1808 C LEU A 114 -3.128 -3.198 -13.586 1.00 0.00 C ATOM 1809 O LEU A 114 -2.063 -2.619 -13.792 1.00 0.00 O ATOM 1810 CB LEU A 114 -2.774 -4.058 -11.277 1.00 0.00 C ATOM 1811 CG LEU A 114 -2.999 -5.136 -10.216 1.00 0.00 C ATOM 1812 CD1 LEU A 114 -2.592 -4.618 -8.846 1.00 0.00 C ATOM 1813 CD2 LEU A 114 -4.453 -5.582 -10.204 1.00 0.00 C ATOM 0 H LEU A 114 -1.310 -5.213 -13.247 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.190 -4.836 -12.679 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.718 -3.789 -11.276 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.330 -3.167 -10.986 1.00 0.00 H new ATOM 0 HG LEU A 114 -2.379 -5.998 -10.463 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -2.757 -5.395 -8.099 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -1.537 -4.345 -8.859 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.190 -3.742 -8.596 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -4.592 -6.349 -9.442 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.093 -4.729 -9.981 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.717 -5.988 -11.180 1.00 0.00 H new ATOM 1825 N ARG A 115 -4.276 -2.799 -14.102 1.00 0.00 N ATOM 1826 CA ARG A 115 -4.338 -1.686 -15.030 1.00 0.00 C ATOM 1827 C ARG A 115 -4.939 -0.463 -14.350 1.00 0.00 C ATOM 1828 O ARG A 115 -6.153 -0.364 -14.190 1.00 0.00 O ATOM 1829 CB ARG A 115 -5.174 -2.076 -16.251 1.00 0.00 C ATOM 1830 CG ARG A 115 -4.940 -1.187 -17.459 1.00 0.00 C ATOM 1831 CD ARG A 115 -5.830 -1.586 -18.625 1.00 0.00 C ATOM 1832 NE ARG A 115 -5.237 -1.219 -19.912 1.00 0.00 N ATOM 1833 CZ ARG A 115 -5.200 0.021 -20.400 1.00 0.00 C ATOM 1834 NH1 ARG A 115 -5.803 1.016 -19.758 1.00 0.00 N ATOM 1835 NH2 ARG A 115 -4.580 0.262 -21.545 1.00 0.00 N ATOM 0 H ARG A 115 -5.177 -3.229 -13.894 1.00 0.00 H new ATOM 0 HA ARG A 115 -3.327 -1.439 -15.355 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -4.948 -3.108 -16.521 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -6.230 -2.040 -15.984 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -5.134 -0.148 -17.191 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -3.894 -1.249 -17.760 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -6.003 -2.662 -18.598 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -6.802 -1.104 -18.522 1.00 0.00 H new ATOM 0 HE ARG A 115 -4.824 -1.963 -20.474 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -6.299 0.834 -18.885 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -5.770 1.962 -20.138 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -4.131 -0.501 -22.052 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -4.551 1.210 -21.919 1.00 0.00 H new ATOM 1849 N PHE A 116 -4.081 0.454 -13.935 1.00 0.00 N ATOM 1850 CA PHE A 116 -4.534 1.672 -13.282 1.00 0.00 C ATOM 1851 C PHE A 116 -4.877 2.730 -14.322 1.00 0.00 C ATOM 1852 O PHE A 116 -3.995 3.258 -14.997 1.00 0.00 O ATOM 1853 CB PHE A 116 -3.463 2.206 -12.326 1.00 0.00 C ATOM 1854 CG PHE A 116 -3.246 1.348 -11.108 1.00 0.00 C ATOM 1855 CD1 PHE A 116 -4.069 1.478 -10.001 1.00 0.00 C ATOM 1856 CD2 PHE A 116 -2.216 0.422 -11.066 1.00 0.00 C ATOM 1857 CE1 PHE A 116 -3.870 0.701 -8.876 1.00 0.00 C ATOM 1858 CE2 PHE A 116 -2.012 -0.356 -9.942 1.00 0.00 C ATOM 1859 CZ PHE A 116 -2.841 -0.217 -8.845 1.00 0.00 C ATOM 0 H PHE A 116 -3.069 0.379 -14.038 1.00 0.00 H new ATOM 0 HA PHE A 116 -5.428 1.438 -12.704 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.521 2.296 -12.867 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -3.744 3.209 -12.006 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -4.876 2.196 -10.018 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -1.566 0.307 -11.921 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -4.520 0.812 -8.021 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -1.204 -1.073 -9.921 1.00 0.00 H new ATOM 0 HZ PHE A 116 -2.684 -0.825 -7.966 1.00 0.00 H new ATOM 1869 N ILE A 117 -6.164 3.014 -14.463 1.00 0.00 N ATOM 1870 CA ILE A 117 -6.627 4.003 -15.420 1.00 0.00 C ATOM 1871 C ILE A 117 -7.083 5.267 -14.700 1.00 0.00 C ATOM 1872 O ILE A 117 -8.179 5.317 -14.140 1.00 0.00 O ATOM 1873 CB ILE A 117 -7.794 3.461 -16.276 1.00 0.00 C ATOM 1874 CG1 ILE A 117 -7.417 2.113 -16.901 1.00 0.00 C ATOM 1875 CG2 ILE A 117 -8.169 4.464 -17.360 1.00 0.00 C ATOM 1876 CD1 ILE A 117 -8.557 1.444 -17.640 1.00 0.00 C ATOM 0 H ILE A 117 -6.907 2.570 -13.923 1.00 0.00 H new ATOM 0 HA ILE A 117 -5.789 4.234 -16.078 1.00 0.00 H new ATOM 0 HB ILE A 117 -8.658 3.313 -15.629 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -6.586 2.262 -17.591 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -7.063 1.445 -16.116 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -8.992 4.067 -17.954 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -8.475 5.402 -16.897 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -7.309 4.641 -18.005 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -8.215 0.496 -18.055 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -9.381 1.262 -16.950 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -8.897 2.092 -18.448 1.00 0.00 H new ATOM 1888 N ILE A 118 -6.228 6.275 -14.693 1.00 0.00 N ATOM 1889 CA ILE A 118 -6.564 7.549 -14.083 1.00 0.00 C ATOM 1890 C ILE A 118 -7.349 8.392 -15.078 1.00 0.00 C ATOM 1891 O ILE A 118 -6.779 8.973 -16.006 1.00 0.00 O ATOM 1892 CB ILE A 118 -5.304 8.318 -13.628 1.00 0.00 C ATOM 1893 CG1 ILE A 118 -4.421 7.417 -12.759 1.00 0.00 C ATOM 1894 CG2 ILE A 118 -5.699 9.576 -12.861 1.00 0.00 C ATOM 1895 CD1 ILE A 118 -3.092 8.040 -12.385 1.00 0.00 C ATOM 0 H ILE A 118 -5.295 6.235 -15.103 1.00 0.00 H new ATOM 0 HA ILE A 118 -7.168 7.351 -13.197 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.737 8.615 -14.510 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -4.962 7.164 -11.847 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -4.237 6.483 -13.290 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -4.801 10.108 -12.547 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -6.296 10.222 -13.504 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -6.282 9.299 -11.983 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -2.523 7.342 -11.770 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -2.529 8.268 -13.290 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -3.266 8.959 -11.825 1.00 0.00 H new ATOM 1907 N VAL A 119 -8.658 8.429 -14.893 1.00 0.00 N ATOM 1908 CA VAL A 119 -9.547 9.108 -15.822 1.00 0.00 C ATOM 1909 C VAL A 119 -9.422 10.620 -15.682 1.00 0.00 C ATOM 1910 O VAL A 119 -9.292 11.338 -16.671 1.00 0.00 O ATOM 1911 CB VAL A 119 -11.015 8.691 -15.596 1.00 0.00 C ATOM 1912 CG1 VAL A 119 -11.923 9.314 -16.646 1.00 0.00 C ATOM 1913 CG2 VAL A 119 -11.151 7.176 -15.603 1.00 0.00 C ATOM 0 H VAL A 119 -9.132 7.993 -14.102 1.00 0.00 H new ATOM 0 HA VAL A 119 -9.251 8.815 -16.829 1.00 0.00 H new ATOM 0 HB VAL A 119 -11.324 9.059 -14.617 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -12.953 9.005 -16.466 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -11.854 10.400 -16.588 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -11.613 8.983 -17.637 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -12.194 6.904 -15.442 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -10.818 6.785 -16.565 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -10.538 6.752 -14.807 1.00 0.00 H new ATOM 1923 N SER A 120 -9.471 11.099 -14.450 1.00 0.00 N ATOM 1924 CA SER A 120 -9.354 12.521 -14.177 1.00 0.00 C ATOM 1925 C SER A 120 -8.723 12.744 -12.805 1.00 0.00 C ATOM 1926 O SER A 120 -8.595 11.809 -12.012 1.00 0.00 O ATOM 1927 CB SER A 120 -10.731 13.191 -14.256 1.00 0.00 C ATOM 1928 OG SER A 120 -11.323 12.978 -15.529 1.00 0.00 O ATOM 0 H SER A 120 -9.592 10.520 -13.619 1.00 0.00 H new ATOM 0 HA SER A 120 -8.708 12.973 -14.930 1.00 0.00 H new ATOM 0 HB2 SER A 120 -11.380 12.792 -13.477 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.631 14.260 -14.071 1.00 0.00 H new ATOM 0 HG SER A 120 -12.201 13.412 -15.558 1.00 0.00 H new ATOM 1934 N ALA A 121 -8.323 13.977 -12.534 1.00 0.00 N ATOM 1935 CA ALA A 121 -7.656 14.306 -11.286 1.00 0.00 C ATOM 1936 C ALA A 121 -7.989 15.729 -10.863 1.00 0.00 C ATOM 1937 O ALA A 121 -8.557 16.495 -11.643 1.00 0.00 O ATOM 1938 CB ALA A 121 -6.152 14.135 -11.440 1.00 0.00 C ATOM 0 H ALA A 121 -8.450 14.768 -13.165 1.00 0.00 H new ATOM 0 HA ALA A 121 -8.009 13.627 -10.510 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -5.659 14.384 -10.500 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.929 13.101 -11.705 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -5.789 14.797 -12.226 1.00 0.00 H new ATOM 1944 N PHE A 122 -7.637 16.078 -9.629 1.00 0.00 N ATOM 1945 CA PHE A 122 -7.841 17.434 -9.125 1.00 0.00 C ATOM 1946 C PHE A 122 -6.796 18.366 -9.721 1.00 0.00 C ATOM 1947 O PHE A 122 -6.942 19.590 -9.706 1.00 0.00 O ATOM 1948 CB PHE A 122 -7.759 17.467 -7.596 1.00 0.00 C ATOM 1949 CG PHE A 122 -8.806 16.634 -6.913 1.00 0.00 C ATOM 1950 CD1 PHE A 122 -10.131 17.038 -6.901 1.00 0.00 C ATOM 1951 CD2 PHE A 122 -8.463 15.451 -6.281 1.00 0.00 C ATOM 1952 CE1 PHE A 122 -11.095 16.274 -6.273 1.00 0.00 C ATOM 1953 CE2 PHE A 122 -9.423 14.684 -5.651 1.00 0.00 C ATOM 1954 CZ PHE A 122 -10.741 15.097 -5.645 1.00 0.00 C ATOM 0 H PHE A 122 -7.208 15.440 -8.958 1.00 0.00 H new ATOM 0 HA PHE A 122 -8.836 17.767 -9.421 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -6.773 17.119 -7.287 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -7.853 18.499 -7.259 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -10.413 17.960 -7.388 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -7.434 15.124 -6.281 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -12.125 16.597 -6.273 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -9.143 13.762 -5.163 1.00 0.00 H new ATOM 0 HZ PHE A 122 -11.493 14.500 -5.150 1.00 0.00 H new ATOM 1964 N ASP A 123 -5.734 17.763 -10.228 1.00 0.00 N ATOM 1965 CA ASP A 123 -4.695 18.483 -10.941 1.00 0.00 C ATOM 1966 C ASP A 123 -4.646 17.942 -12.366 1.00 0.00 C ATOM 1967 O ASP A 123 -5.477 17.110 -12.737 1.00 0.00 O ATOM 1968 CB ASP A 123 -3.345 18.296 -10.237 1.00 0.00 C ATOM 1969 CG ASP A 123 -2.310 19.334 -10.634 1.00 0.00 C ATOM 1970 OD1 ASP A 123 -1.661 19.166 -11.691 1.00 0.00 O ATOM 1971 OD2 ASP A 123 -2.126 20.313 -9.886 1.00 0.00 O ATOM 0 H ASP A 123 -5.569 16.759 -10.156 1.00 0.00 H new ATOM 0 HA ASP A 123 -4.911 19.551 -10.958 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -3.497 18.339 -9.158 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -2.959 17.303 -10.465 1.00 0.00 H new ATOM 1976 N HIS A 124 -3.696 18.384 -13.164 1.00 0.00 N ATOM 1977 CA HIS A 124 -3.616 17.926 -14.541 1.00 0.00 C ATOM 1978 C HIS A 124 -2.465 16.947 -14.710 1.00 0.00 C ATOM 1979 O HIS A 124 -2.407 16.203 -15.687 1.00 0.00 O ATOM 1980 CB HIS A 124 -3.462 19.105 -15.498 1.00 0.00 C ATOM 1981 CG HIS A 124 -4.144 18.874 -16.809 1.00 0.00 C ATOM 1982 ND1 HIS A 124 -5.442 19.261 -17.048 1.00 0.00 N ATOM 1983 CD2 HIS A 124 -3.717 18.275 -17.945 1.00 0.00 C ATOM 1984 CE1 HIS A 124 -5.785 18.909 -18.269 1.00 0.00 C ATOM 1985 NE2 HIS A 124 -4.759 18.306 -18.841 1.00 0.00 N ATOM 0 H HIS A 124 -2.975 19.052 -12.890 1.00 0.00 H new ATOM 0 HA HIS A 124 -4.546 17.412 -14.783 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -3.871 20.002 -15.033 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -2.402 19.291 -15.672 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -2.739 17.851 -18.116 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -6.747 19.084 -18.727 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -4.742 17.927 -19.788 1.00 0.00 H new ATOM 1993 N PHE A 125 -1.555 16.948 -13.750 1.00 0.00 N ATOM 1994 CA PHE A 125 -0.442 16.014 -13.756 1.00 0.00 C ATOM 1995 C PHE A 125 -0.598 15.024 -12.612 1.00 0.00 C ATOM 1996 O PHE A 125 -0.774 15.422 -11.460 1.00 0.00 O ATOM 1997 CB PHE A 125 0.893 16.754 -13.631 1.00 0.00 C ATOM 1998 CG PHE A 125 1.197 17.663 -14.788 1.00 0.00 C ATOM 1999 CD1 PHE A 125 1.876 17.188 -15.899 1.00 0.00 C ATOM 2000 CD2 PHE A 125 0.809 18.994 -14.764 1.00 0.00 C ATOM 2001 CE1 PHE A 125 2.160 18.021 -16.962 1.00 0.00 C ATOM 2002 CE2 PHE A 125 1.091 19.831 -15.826 1.00 0.00 C ATOM 2003 CZ PHE A 125 1.767 19.344 -16.926 1.00 0.00 C ATOM 0 H PHE A 125 -1.566 17.587 -12.955 1.00 0.00 H new ATOM 0 HA PHE A 125 -0.446 15.476 -14.704 1.00 0.00 H new ATOM 0 HB2 PHE A 125 0.887 17.341 -12.713 1.00 0.00 H new ATOM 0 HB3 PHE A 125 1.695 16.022 -13.536 1.00 0.00 H new ATOM 0 HD1 PHE A 125 2.186 16.154 -15.933 1.00 0.00 H new ATOM 0 HD2 PHE A 125 0.280 19.381 -13.905 1.00 0.00 H new ATOM 0 HE1 PHE A 125 2.690 17.638 -17.822 1.00 0.00 H new ATOM 0 HE2 PHE A 125 0.783 20.866 -15.795 1.00 0.00 H new ATOM 0 HZ PHE A 125 1.988 19.997 -17.757 1.00 0.00 H new ATOM 2013 N ALA A 126 -0.542 13.738 -12.929 1.00 0.00 N ATOM 2014 CA ALA A 126 -0.713 12.705 -11.921 1.00 0.00 C ATOM 2015 C ALA A 126 0.623 12.068 -11.593 1.00 0.00 C ATOM 2016 O ALA A 126 1.349 11.631 -12.489 1.00 0.00 O ATOM 2017 CB ALA A 126 -1.703 11.651 -12.392 1.00 0.00 C ATOM 0 H ALA A 126 -0.380 13.387 -13.873 1.00 0.00 H new ATOM 0 HA ALA A 126 -1.112 13.167 -11.018 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -1.816 10.888 -11.622 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -2.669 12.119 -12.583 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -1.335 11.190 -13.309 1.00 0.00 H new ATOM 2023 N SER A 127 0.947 12.020 -10.315 1.00 0.00 N ATOM 2024 CA SER A 127 2.213 11.471 -9.880 1.00 0.00 C ATOM 2025 C SER A 127 2.001 10.412 -8.810 1.00 0.00 C ATOM 2026 O SER A 127 1.320 10.648 -7.806 1.00 0.00 O ATOM 2027 CB SER A 127 3.121 12.586 -9.352 1.00 0.00 C ATOM 2028 OG SER A 127 4.380 12.073 -8.941 1.00 0.00 O ATOM 0 H SER A 127 0.349 12.356 -9.560 1.00 0.00 H new ATOM 0 HA SER A 127 2.696 11.001 -10.736 1.00 0.00 H new ATOM 0 HB2 SER A 127 3.267 13.337 -10.128 1.00 0.00 H new ATOM 0 HB3 SER A 127 2.637 13.085 -8.512 1.00 0.00 H new ATOM 0 HG SER A 127 4.621 11.308 -9.504 1.00 0.00 H new ATOM 2034 N VAL A 128 2.578 9.245 -9.036 1.00 0.00 N ATOM 2035 CA VAL A 128 2.542 8.178 -8.060 1.00 0.00 C ATOM 2036 C VAL A 128 3.882 8.115 -7.337 1.00 0.00 C ATOM 2037 O VAL A 128 4.939 8.265 -7.951 1.00 0.00 O ATOM 2038 CB VAL A 128 2.207 6.812 -8.710 1.00 0.00 C ATOM 2039 CG1 VAL A 128 3.298 6.372 -9.676 1.00 0.00 C ATOM 2040 CG2 VAL A 128 1.971 5.751 -7.647 1.00 0.00 C ATOM 0 H VAL A 128 3.079 9.014 -9.894 1.00 0.00 H new ATOM 0 HA VAL A 128 1.748 8.392 -7.345 1.00 0.00 H new ATOM 0 HB VAL A 128 1.288 6.936 -9.282 1.00 0.00 H new ATOM 0 HG11 VAL A 128 3.030 5.410 -10.114 1.00 0.00 H new ATOM 0 HG12 VAL A 128 3.404 7.114 -10.468 1.00 0.00 H new ATOM 0 HG13 VAL A 128 4.242 6.276 -9.140 1.00 0.00 H new ATOM 0 HG21 VAL A 128 1.737 4.801 -8.127 1.00 0.00 H new ATOM 0 HG22 VAL A 128 2.869 5.639 -7.039 1.00 0.00 H new ATOM 0 HG23 VAL A 128 1.137 6.051 -7.012 1.00 0.00 H new ATOM 2050 N HIS A 129 3.834 7.930 -6.033 1.00 0.00 N ATOM 2051 CA HIS A 129 5.040 7.916 -5.225 1.00 0.00 C ATOM 2052 C HIS A 129 5.520 6.480 -5.041 1.00 0.00 C ATOM 2053 O HIS A 129 6.687 6.174 -5.265 1.00 0.00 O ATOM 2054 CB HIS A 129 4.761 8.583 -3.875 1.00 0.00 C ATOM 2055 CG HIS A 129 5.983 8.858 -3.055 1.00 0.00 C ATOM 2056 ND1 HIS A 129 6.673 10.052 -3.106 1.00 0.00 N ATOM 2057 CD2 HIS A 129 6.621 8.097 -2.139 1.00 0.00 C ATOM 2058 CE1 HIS A 129 7.677 10.010 -2.254 1.00 0.00 C ATOM 2059 NE2 HIS A 129 7.666 8.838 -1.656 1.00 0.00 N ATOM 0 H HIS A 129 2.971 7.787 -5.508 1.00 0.00 H new ATOM 0 HA HIS A 129 5.828 8.476 -5.728 1.00 0.00 H new ATOM 0 HB2 HIS A 129 4.237 9.523 -4.050 1.00 0.00 H new ATOM 0 HB3 HIS A 129 4.089 7.945 -3.301 1.00 0.00 H new ATOM 0 HD2 HIS A 129 6.356 7.093 -1.843 1.00 0.00 H new ATOM 0 HE1 HIS A 129 8.388 10.803 -2.077 1.00 0.00 H new ATOM 0 HE2 HIS A 129 8.330 8.530 -0.946 1.00 0.00 H new ATOM 2067 N SER A 130 4.606 5.608 -4.636 1.00 0.00 N ATOM 2068 CA SER A 130 4.904 4.191 -4.462 1.00 0.00 C ATOM 2069 C SER A 130 3.603 3.391 -4.482 1.00 0.00 C ATOM 2070 O SER A 130 2.567 3.878 -4.023 1.00 0.00 O ATOM 2071 CB SER A 130 5.638 3.947 -3.134 1.00 0.00 C ATOM 2072 OG SER A 130 6.799 4.759 -3.019 1.00 0.00 O ATOM 0 H SER A 130 3.642 5.860 -4.420 1.00 0.00 H new ATOM 0 HA SER A 130 5.550 3.868 -5.279 1.00 0.00 H new ATOM 0 HB2 SER A 130 4.965 4.155 -2.302 1.00 0.00 H new ATOM 0 HB3 SER A 130 5.920 2.897 -3.061 1.00 0.00 H new ATOM 0 HG SER A 130 7.063 5.080 -3.907 1.00 0.00 H new ATOM 2078 N VAL A 131 3.643 2.183 -5.028 1.00 0.00 N ATOM 2079 CA VAL A 131 2.474 1.310 -5.025 1.00 0.00 C ATOM 2080 C VAL A 131 2.813 -0.035 -4.400 1.00 0.00 C ATOM 2081 O VAL A 131 3.953 -0.493 -4.470 1.00 0.00 O ATOM 2082 CB VAL A 131 1.899 1.076 -6.443 1.00 0.00 C ATOM 2083 CG1 VAL A 131 1.337 2.364 -7.022 1.00 0.00 C ATOM 2084 CG2 VAL A 131 2.951 0.487 -7.371 1.00 0.00 C ATOM 0 H VAL A 131 4.468 1.785 -5.477 1.00 0.00 H new ATOM 0 HA VAL A 131 1.713 1.819 -4.434 1.00 0.00 H new ATOM 0 HB VAL A 131 1.084 0.357 -6.355 1.00 0.00 H new ATOM 0 HG11 VAL A 131 0.939 2.172 -8.019 1.00 0.00 H new ATOM 0 HG12 VAL A 131 0.539 2.735 -6.378 1.00 0.00 H new ATOM 0 HG13 VAL A 131 2.129 3.111 -7.085 1.00 0.00 H new ATOM 0 HG21 VAL A 131 2.519 0.333 -8.360 1.00 0.00 H new ATOM 0 HG22 VAL A 131 3.795 1.173 -7.446 1.00 0.00 H new ATOM 0 HG23 VAL A 131 3.294 -0.468 -6.973 1.00 0.00 H new ATOM 2094 N SER A 132 1.826 -0.654 -3.778 1.00 0.00 N ATOM 2095 CA SER A 132 2.014 -1.950 -3.159 1.00 0.00 C ATOM 2096 C SER A 132 0.709 -2.734 -3.169 1.00 0.00 C ATOM 2097 O SER A 132 -0.373 -2.151 -3.180 1.00 0.00 O ATOM 2098 CB SER A 132 2.520 -1.783 -1.724 1.00 0.00 C ATOM 2099 OG SER A 132 2.815 -3.036 -1.136 1.00 0.00 O ATOM 0 H SER A 132 0.883 -0.277 -3.689 1.00 0.00 H new ATOM 0 HA SER A 132 2.759 -2.505 -3.730 1.00 0.00 H new ATOM 0 HB2 SER A 132 3.413 -1.158 -1.721 1.00 0.00 H new ATOM 0 HB3 SER A 132 1.767 -1.267 -1.128 1.00 0.00 H new ATOM 0 HG SER A 132 3.275 -2.896 -0.282 1.00 0.00 H new ATOM 2105 N ALA A 133 0.820 -4.051 -3.186 1.00 0.00 N ATOM 2106 CA ALA A 133 -0.339 -4.919 -3.108 1.00 0.00 C ATOM 2107 C ALA A 133 -0.144 -5.907 -1.977 1.00 0.00 C ATOM 2108 O ALA A 133 0.868 -6.602 -1.923 1.00 0.00 O ATOM 2109 CB ALA A 133 -0.562 -5.647 -4.426 1.00 0.00 C ATOM 0 H ALA A 133 1.710 -4.545 -3.254 1.00 0.00 H new ATOM 0 HA ALA A 133 -1.225 -4.316 -2.912 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -1.437 -6.292 -4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -0.723 -4.919 -5.221 1.00 0.00 H new ATOM 0 HB3 ALA A 133 0.314 -6.252 -4.660 1.00 0.00 H new ATOM 2115 N GLU A 134 -1.097 -5.946 -1.065 1.00 0.00 N ATOM 2116 CA GLU A 134 -1.005 -6.813 0.092 1.00 0.00 C ATOM 2117 C GLU A 134 -1.829 -8.066 -0.119 1.00 0.00 C ATOM 2118 O GLU A 134 -2.980 -8.004 -0.557 1.00 0.00 O ATOM 2119 CB GLU A 134 -1.469 -6.087 1.351 1.00 0.00 C ATOM 2120 CG GLU A 134 -0.733 -4.786 1.596 1.00 0.00 C ATOM 2121 CD GLU A 134 -1.041 -4.183 2.950 1.00 0.00 C ATOM 2122 OE1 GLU A 134 -2.217 -3.875 3.217 1.00 0.00 O ATOM 2123 OE2 GLU A 134 -0.100 -4.021 3.753 1.00 0.00 O ATOM 0 H GLU A 134 -1.947 -5.384 -1.105 1.00 0.00 H new ATOM 0 HA GLU A 134 0.040 -7.096 0.221 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -2.537 -5.883 1.272 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -1.332 -6.742 2.211 1.00 0.00 H new ATOM 0 HG2 GLU A 134 0.340 -4.961 1.517 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -0.998 -4.072 0.817 1.00 0.00 H new ATOM 2130 N GLY A 135 -1.226 -9.193 0.188 1.00 0.00 N ATOM 2131 CA GLY A 135 -1.881 -10.466 0.027 1.00 0.00 C ATOM 2132 C GLY A 135 -0.887 -11.588 0.151 1.00 0.00 C ATOM 2133 O GLY A 135 0.076 -11.477 0.917 1.00 0.00 O ATOM 0 H GLY A 135 -0.275 -9.250 0.553 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -2.661 -10.578 0.780 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -2.369 -10.510 -0.947 1.00 0.00 H new ATOM 2137 N THR A 136 -1.094 -12.655 -0.600 1.00 0.00 N ATOM 2138 CA THR A 136 -0.185 -13.787 -0.568 1.00 0.00 C ATOM 2139 C THR A 136 0.064 -14.329 -1.975 1.00 0.00 C ATOM 2140 O THR A 136 -0.771 -14.176 -2.874 1.00 0.00 O ATOM 2141 CB THR A 136 -0.723 -14.909 0.347 1.00 0.00 C ATOM 2142 OG1 THR A 136 -2.070 -15.241 -0.012 1.00 0.00 O ATOM 2143 CG2 THR A 136 -0.674 -14.484 1.805 1.00 0.00 C ATOM 0 H THR A 136 -1.882 -12.761 -1.239 1.00 0.00 H new ATOM 0 HA THR A 136 0.762 -13.435 -0.159 1.00 0.00 H new ATOM 0 HB THR A 136 -0.089 -15.786 0.215 1.00 0.00 H new ATOM 0 HG1 THR A 136 -2.398 -15.954 0.574 1.00 0.00 H new ATOM 0 HG21 THR A 136 -1.058 -15.289 2.432 1.00 0.00 H new ATOM 0 HG22 THR A 136 0.356 -14.265 2.086 1.00 0.00 H new ATOM 0 HG23 THR A 136 -1.286 -13.593 1.945 1.00 0.00 H new ATOM 2151 N VAL A 137 1.226 -14.936 -2.166 1.00 0.00 N ATOM 2152 CA VAL A 137 1.590 -15.505 -3.455 1.00 0.00 C ATOM 2153 C VAL A 137 0.954 -16.880 -3.615 1.00 0.00 C ATOM 2154 O VAL A 137 1.218 -17.790 -2.827 1.00 0.00 O ATOM 2155 CB VAL A 137 3.122 -15.632 -3.605 1.00 0.00 C ATOM 2156 CG1 VAL A 137 3.493 -16.101 -5.004 1.00 0.00 C ATOM 2157 CG2 VAL A 137 3.808 -14.314 -3.282 1.00 0.00 C ATOM 0 H VAL A 137 1.935 -15.047 -1.442 1.00 0.00 H new ATOM 0 HA VAL A 137 1.223 -14.832 -4.230 1.00 0.00 H new ATOM 0 HB VAL A 137 3.469 -16.380 -2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 137 4.577 -16.183 -5.085 1.00 0.00 H new ATOM 0 HG12 VAL A 137 3.041 -17.074 -5.193 1.00 0.00 H new ATOM 0 HG13 VAL A 137 3.128 -15.382 -5.738 1.00 0.00 H new ATOM 0 HG21 VAL A 137 4.886 -14.428 -3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 137 3.452 -13.542 -3.964 1.00 0.00 H new ATOM 0 HG23 VAL A 137 3.579 -14.026 -2.256 1.00 0.00 H new ATOM 2167 N VAL A 138 0.109 -17.028 -4.625 1.00 0.00 N ATOM 2168 CA VAL A 138 -0.585 -18.287 -4.853 1.00 0.00 C ATOM 2169 C VAL A 138 0.260 -19.227 -5.707 1.00 0.00 C ATOM 2170 O VAL A 138 0.496 -20.375 -5.332 1.00 0.00 O ATOM 2171 CB VAL A 138 -1.955 -18.071 -5.532 1.00 0.00 C ATOM 2172 CG1 VAL A 138 -2.725 -19.380 -5.622 1.00 0.00 C ATOM 2173 CG2 VAL A 138 -2.767 -17.024 -4.784 1.00 0.00 C ATOM 0 H VAL A 138 -0.112 -16.294 -5.298 1.00 0.00 H new ATOM 0 HA VAL A 138 -0.752 -18.738 -3.875 1.00 0.00 H new ATOM 0 HB VAL A 138 -1.778 -17.709 -6.545 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -3.687 -19.204 -6.104 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -2.152 -20.099 -6.207 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -2.888 -19.776 -4.620 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -3.728 -16.887 -5.279 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -2.931 -17.355 -3.758 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -2.224 -16.079 -4.778 1.00 0.00 H new ATOM 2183 N SER A 139 0.720 -18.736 -6.849 1.00 0.00 N ATOM 2184 CA SER A 139 1.510 -19.553 -7.758 1.00 0.00 C ATOM 2185 C SER A 139 2.980 -19.144 -7.727 1.00 0.00 C ATOM 2186 O SER A 139 3.313 -17.983 -7.985 1.00 0.00 O ATOM 2187 CB SER A 139 0.965 -19.416 -9.180 1.00 0.00 C ATOM 2188 OG SER A 139 1.035 -18.067 -9.614 1.00 0.00 O ATOM 0 H SER A 139 0.561 -17.780 -7.167 1.00 0.00 H new ATOM 0 HA SER A 139 1.438 -20.592 -7.436 1.00 0.00 H new ATOM 0 HB2 SER A 139 1.536 -20.051 -9.857 1.00 0.00 H new ATOM 0 HB3 SER A 139 -0.068 -19.761 -9.214 1.00 0.00 H new ATOM 0 HG SER A 139 1.837 -17.645 -9.242 1.00 0.00 H new