USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 996 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 83 ASN : amide:sc= 0.773 K(o=1.5,f=-4.3!) USER MOD Set 1.2: B 122 LYS NZ :NH3+ -149:sc= 0.715 (180deg=0.151!) USER MOD Set 2.1: B 114 THR OG1 : rot 81:sc= 1.84 USER MOD Set 2.2: B 117 LYS NZ :NH3+ -136:sc= 2.39 (180deg=0.396) USER MOD Set 3.1: A 125 TYR OH : rot -134:sc= 1.2 USER MOD Set 3.2: B 82 SER OG : rot 69:sc= 0.931 USER MOD Set 4.1: A 114 THR OG1 : rot 82:sc= 1.82 USER MOD Set 4.2: A 117 LYS NZ :NH3+ 175:sc= 0.66 (180deg=-0.407) USER MOD Set 5.1: A 103 GLN : amide:sc=-0.00507 X(o=-0.016,f=-0.46) USER MOD Set 5.2: A 107 ASN : amide:sc= -0.0106 X(o=-0.016,f=-0.46) USER MOD Set 6.1: A 97 GLN : amide:sc= 1.14 K(o=2.4,f=0.79) USER MOD Set 6.2: A 108 TYR OH : rot -20:sc= 1.25 USER MOD Single : A 69 SER OG : rot -59:sc= 1.21 USER MOD Single : A 71 CYS SG : rot -153:sc= 0.173 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0.11 X(o=0.11,f=-0.28) USER MOD Single : A 82 SER OG : rot -46:sc= 1.18 USER MOD Single : A 88 SER OG : rot 82:sc= 1.07 USER MOD Single : A 96 ASN : amide:sc= 1.11 K(o=1.1,f=-0.074) USER MOD Single : A 100 GLN : amide:sc= 0.962 K(o=0.96,f=0) USER MOD Single : A 101 SER OG : rot -71:sc= 1.18 USER MOD Single : A 111 THR OG1 : rot 76:sc= 1.07 USER MOD Single : A 112 GLN : amide:sc= 1.06 K(o=1.1,f=-1.4) USER MOD Single : A 115 TYR OH : rot -114:sc= 1.44 USER MOD Single : A 120 ASN : amide:sc= 0.424 K(o=0.42,f=-2.8!) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 LYS NZ :NH3+ 168:sc= 1.08 (180deg=0.122) USER MOD Single : A 123 LYS NZ :NH3+ 163:sc= 2.26 (180deg=1.79) USER MOD Single : B 69 SER OG : rot -47:sc= 1.25 USER MOD Single : B 71 CYS SG : rot 167:sc= 0.516 USER MOD Single : B 79 TYR OH : rot 83:sc= -0.297 USER MOD Single : B 81 GLN : amide:sc= 1.22 K(o=1.2,f=-0.48) USER MOD Single : B 83 ASN : amide:sc= 0.48 X(o=0.48,f=0) USER MOD Single : B 88 SER OG : rot -68:sc= 0.929 USER MOD Single : B 96 ASN : amide:sc= 1.13 K(o=1.1,f=-0.91) USER MOD Single : B 97 GLN : amide:sc= 1.01 K(o=1,f=-0.68) USER MOD Single : B 100 GLN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : B 101 SER OG : rot 180:sc= 0.354 USER MOD Single : B 103 GLN : amide:sc= 0.541 K(o=0.54,f=-8!) USER MOD Single : B 107 ASN : amide:sc= -0.478 X(o=-0.48,f=-0.89) USER MOD Single : B 108 TYR OH : rot -42:sc= 1.17 USER MOD Single : B 111 THR OG1 : rot 76:sc= 0.983 USER MOD Single : B 112 GLN : amide:sc= 1.16 K(o=1.2,f=-0.4) USER MOD Single : B 115 TYR OH : rot -26:sc= 0.556 USER MOD Single : B 120 ASN : amide:sc= -0.925 K(o=-0.93,f=-2.1) USER MOD Single : B 121 GLN : amide:sc= -0.0548 X(o=-0.055,f=0) USER MOD Single : B 123 LYS NZ :NH3+ -173:sc= 1.86 (180deg=1.58) USER MOD Single : B 125 TYR OH : rot -66:sc= 0.0917 USER MOD ----------------------------------------------------------------- ATOM 114 N LEU A 68 -7.679 9.290 -5.273 1.00 0.00 N ATOM 115 CA LEU A 68 -8.420 8.057 -5.051 1.00 0.00 C ATOM 116 C LEU A 68 -9.751 8.123 -5.814 1.00 0.00 C ATOM 117 O LEU A 68 -10.673 8.840 -5.414 1.00 0.00 O ATOM 118 CB LEU A 68 -8.597 7.870 -3.541 1.00 0.00 C ATOM 119 CG LEU A 68 -7.250 7.649 -2.825 1.00 0.00 C ATOM 120 CD1 LEU A 68 -7.192 8.463 -1.530 1.00 0.00 C ATOM 121 CD2 LEU A 68 -7.026 6.161 -2.533 1.00 0.00 C ATOM 0 HA LEU A 68 -7.884 7.188 -5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.090 8.747 -3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.250 7.018 -3.355 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.453 7.990 -3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.234 8.295 -1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.300 9.523 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.000 8.152 -0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.069 6.029 -2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.828 5.791 -1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.021 5.603 -3.469 1.00 0.00 H new ATOM 133 N SER A 69 -9.835 7.423 -6.947 1.00 0.00 N ATOM 134 CA SER A 69 -11.096 7.165 -7.637 1.00 0.00 C ATOM 135 C SER A 69 -12.015 6.258 -6.794 1.00 0.00 C ATOM 136 O SER A 69 -11.650 5.810 -5.710 1.00 0.00 O ATOM 137 CB SER A 69 -10.826 6.641 -9.061 1.00 0.00 C ATOM 138 OG SER A 69 -11.343 5.339 -9.273 1.00 0.00 O ATOM 0 H SER A 69 -9.023 7.017 -7.413 1.00 0.00 H new ATOM 0 HA SER A 69 -11.646 8.099 -7.755 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.268 7.325 -9.785 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.751 6.635 -9.243 1.00 0.00 H new ATOM 0 HG SER A 69 -10.940 4.718 -8.630 1.00 0.00 H new ATOM 144 N ALA A 70 -13.251 6.045 -7.244 1.00 0.00 N ATOM 145 CA ALA A 70 -14.298 5.474 -6.399 1.00 0.00 C ATOM 146 C ALA A 70 -13.948 4.101 -5.797 1.00 0.00 C ATOM 147 O ALA A 70 -14.076 3.908 -4.594 1.00 0.00 O ATOM 148 CB ALA A 70 -15.612 5.425 -7.186 1.00 0.00 C ATOM 0 H ALA A 70 -13.552 6.261 -8.194 1.00 0.00 H new ATOM 0 HA ALA A 70 -14.404 6.131 -5.536 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -16.396 5.000 -6.559 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -15.895 6.434 -7.486 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -15.482 4.806 -8.074 1.00 0.00 H new ATOM 154 N CYS A 71 -13.500 3.147 -6.610 1.00 0.00 N ATOM 155 CA CYS A 71 -13.118 1.834 -6.105 1.00 0.00 C ATOM 156 C CYS A 71 -11.954 1.896 -5.099 1.00 0.00 C ATOM 157 O CYS A 71 -12.096 1.401 -3.980 1.00 0.00 O ATOM 158 CB CYS A 71 -12.868 0.881 -7.278 1.00 0.00 C ATOM 159 SG CYS A 71 -11.586 1.473 -8.403 1.00 0.00 S ATOM 0 H CYS A 71 -13.393 3.260 -7.618 1.00 0.00 H new ATOM 0 HA CYS A 71 -13.948 1.431 -5.525 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.581 -0.097 -6.891 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -13.796 0.744 -7.833 1.00 0.00 H new ATOM 0 HG CYS A 71 -11.791 0.984 -9.590 1.00 0.00 H new ATOM 165 N GLU A 72 -10.815 2.516 -5.419 1.00 0.00 N ATOM 166 CA GLU A 72 -9.722 2.584 -4.453 1.00 0.00 C ATOM 167 C GLU A 72 -10.092 3.383 -3.185 1.00 0.00 C ATOM 168 O GLU A 72 -9.744 2.978 -2.079 1.00 0.00 O ATOM 169 CB GLU A 72 -8.413 3.022 -5.125 1.00 0.00 C ATOM 170 CG GLU A 72 -8.408 4.453 -5.687 1.00 0.00 C ATOM 171 CD GLU A 72 -8.803 4.576 -7.141 1.00 0.00 C ATOM 172 OE1 GLU A 72 -9.755 3.919 -7.605 1.00 0.00 O ATOM 173 OE2 GLU A 72 -8.155 5.379 -7.840 1.00 0.00 O ATOM 0 H GLU A 72 -10.630 2.966 -6.315 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.541 1.575 -4.082 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.604 2.932 -4.400 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.192 2.330 -5.937 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.086 5.063 -5.090 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.409 4.872 -5.562 1.00 0.00 H new ATOM 180 N VAL A 73 -10.845 4.483 -3.309 1.00 0.00 N ATOM 181 CA VAL A 73 -11.297 5.243 -2.140 1.00 0.00 C ATOM 182 C VAL A 73 -12.245 4.413 -1.267 1.00 0.00 C ATOM 183 O VAL A 73 -12.085 4.347 -0.052 1.00 0.00 O ATOM 184 CB VAL A 73 -11.873 6.618 -2.545 1.00 0.00 C ATOM 185 CG1 VAL A 73 -13.389 6.689 -2.698 1.00 0.00 C ATOM 186 CG2 VAL A 73 -11.473 7.686 -1.518 1.00 0.00 C ATOM 0 H VAL A 73 -11.152 4.864 -4.204 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.429 5.459 -1.517 1.00 0.00 H new ATOM 0 HB VAL A 73 -11.445 6.793 -3.532 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -13.679 7.700 -2.984 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.710 5.988 -3.468 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.863 6.430 -1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.886 8.650 -1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -11.863 7.412 -0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.386 7.756 -1.470 1.00 0.00 H new ATOM 196 N ALA A 74 -13.198 3.723 -1.895 1.00 0.00 N ATOM 197 CA ALA A 74 -14.122 2.835 -1.190 1.00 0.00 C ATOM 198 C ALA A 74 -13.361 1.727 -0.449 1.00 0.00 C ATOM 199 O ALA A 74 -13.581 1.462 0.728 1.00 0.00 O ATOM 200 CB ALA A 74 -15.123 2.244 -2.189 1.00 0.00 C ATOM 0 H ALA A 74 -13.350 3.764 -2.903 1.00 0.00 H new ATOM 0 HA ALA A 74 -14.667 3.410 -0.442 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -15.812 1.582 -1.665 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -15.683 3.050 -2.663 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -14.586 1.679 -2.951 1.00 0.00 H new ATOM 206 N VAL A 75 -12.412 1.095 -1.132 1.00 0.00 N ATOM 207 CA VAL A 75 -11.609 0.044 -0.517 1.00 0.00 C ATOM 208 C VAL A 75 -10.697 0.604 0.597 1.00 0.00 C ATOM 209 O VAL A 75 -10.382 -0.097 1.560 1.00 0.00 O ATOM 210 CB VAL A 75 -10.886 -0.768 -1.606 1.00 0.00 C ATOM 211 CG1 VAL A 75 -9.937 -1.809 -1.011 1.00 0.00 C ATOM 212 CG2 VAL A 75 -11.940 -1.526 -2.417 1.00 0.00 C ATOM 0 H VAL A 75 -12.181 1.291 -2.106 1.00 0.00 H new ATOM 0 HA VAL A 75 -12.257 -0.662 0.002 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.309 -0.072 -2.215 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.449 -2.358 -1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.183 -1.309 -0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.502 -2.503 -0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.449 -2.109 -3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -12.495 -2.194 -1.758 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -12.627 -0.815 -2.875 1.00 0.00 H new ATOM 222 N LEU A 76 -10.299 1.876 0.515 1.00 0.00 N ATOM 223 CA LEU A 76 -9.533 2.555 1.538 1.00 0.00 C ATOM 224 C LEU A 76 -10.374 2.897 2.783 1.00 0.00 C ATOM 225 O LEU A 76 -9.870 2.865 3.903 1.00 0.00 O ATOM 226 CB LEU A 76 -8.804 3.716 0.852 1.00 0.00 C ATOM 227 CG LEU A 76 -8.340 4.793 1.815 1.00 0.00 C ATOM 228 CD1 LEU A 76 -7.239 4.332 2.780 1.00 0.00 C ATOM 229 CD2 LEU A 76 -7.809 5.982 1.027 1.00 0.00 C ATOM 0 H LEU A 76 -10.511 2.468 -0.288 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.773 1.908 1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.941 3.325 0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.466 4.163 0.111 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.211 5.055 2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.961 5.157 3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.606 3.500 3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.367 4.011 2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.475 6.756 1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.971 5.663 0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.600 6.379 0.391 1.00 0.00 H new ATOM 241 N ASP A 77 -11.671 3.135 2.614 1.00 0.00 N ATOM 242 CA ASP A 77 -12.575 3.173 3.761 1.00 0.00 C ATOM 243 C ASP A 77 -12.501 1.813 4.476 1.00 0.00 C ATOM 244 O ASP A 77 -12.178 1.731 5.663 1.00 0.00 O ATOM 245 CB ASP A 77 -13.989 3.547 3.280 1.00 0.00 C ATOM 246 CG ASP A 77 -14.999 3.634 4.410 1.00 0.00 C ATOM 247 OD1 ASP A 77 -15.037 2.680 5.219 1.00 0.00 O ATOM 248 OD2 ASP A 77 -15.708 4.656 4.470 1.00 0.00 O ATOM 0 H ASP A 77 -12.115 3.302 1.711 1.00 0.00 H new ATOM 0 HA ASP A 77 -12.287 3.936 4.484 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -13.949 4.505 2.762 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -14.327 2.807 2.555 1.00 0.00 H new ATOM 253 N LEU A 78 -12.656 0.715 3.726 1.00 0.00 N ATOM 254 CA LEU A 78 -12.514 -0.613 4.290 1.00 0.00 C ATOM 255 C LEU A 78 -11.150 -0.794 4.984 1.00 0.00 C ATOM 256 O LEU A 78 -11.108 -1.363 6.075 1.00 0.00 O ATOM 257 CB LEU A 78 -12.820 -1.693 3.243 1.00 0.00 C ATOM 258 CG LEU A 78 -14.128 -1.504 2.460 1.00 0.00 C ATOM 259 CD1 LEU A 78 -14.394 -2.755 1.617 1.00 0.00 C ATOM 260 CD2 LEU A 78 -15.338 -1.236 3.365 1.00 0.00 C ATOM 0 H LEU A 78 -12.879 0.730 2.731 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.259 -0.733 5.077 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.994 -1.730 2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.853 -2.661 3.744 1.00 0.00 H new ATOM 0 HG LEU A 78 -14.001 -0.625 1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.321 -2.627 1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.569 -2.907 0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.481 -3.623 2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -16.231 -1.112 2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.478 -2.077 4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -15.166 -0.328 3.943 1.00 0.00 H new ATOM 272 N TYR A 79 -10.038 -0.310 4.415 1.00 0.00 N ATOM 273 CA TYR A 79 -8.763 -0.259 5.128 1.00 0.00 C ATOM 274 C TYR A 79 -8.860 0.425 6.503 1.00 0.00 C ATOM 275 O TYR A 79 -8.596 -0.229 7.513 1.00 0.00 O ATOM 276 CB TYR A 79 -7.659 0.381 4.275 1.00 0.00 C ATOM 277 CG TYR A 79 -7.128 -0.454 3.133 1.00 0.00 C ATOM 278 CD1 TYR A 79 -6.742 -1.788 3.352 1.00 0.00 C ATOM 279 CD2 TYR A 79 -6.988 0.083 1.844 1.00 0.00 C ATOM 280 CE1 TYR A 79 -6.510 -2.623 2.250 1.00 0.00 C ATOM 281 CE2 TYR A 79 -6.951 -0.789 0.748 1.00 0.00 C ATOM 282 CZ TYR A 79 -6.858 -2.165 0.975 1.00 0.00 C ATOM 283 OH TYR A 79 -6.924 -3.061 -0.042 1.00 0.00 O ATOM 0 H TYR A 79 -10.000 0.051 3.462 1.00 0.00 H new ATOM 0 HA TYR A 79 -8.492 -1.298 5.316 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -8.041 1.316 3.866 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -6.825 0.636 4.929 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.626 -2.165 4.357 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -6.910 1.150 1.699 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -6.071 -3.601 2.383 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.994 -0.403 -0.260 1.00 0.00 H new ATOM 0 HH TYR A 79 -7.178 -2.600 -0.868 1.00 0.00 H new ATOM 293 N GLU A 80 -9.230 1.699 6.590 1.00 0.00 N ATOM 294 CA GLU A 80 -9.143 2.414 7.863 1.00 0.00 C ATOM 295 C GLU A 80 -10.220 1.961 8.865 1.00 0.00 C ATOM 296 O GLU A 80 -9.927 1.720 10.037 1.00 0.00 O ATOM 297 CB GLU A 80 -9.098 3.924 7.613 1.00 0.00 C ATOM 298 CG GLU A 80 -7.748 4.339 6.980 1.00 0.00 C ATOM 299 CD GLU A 80 -6.518 4.281 7.897 1.00 0.00 C ATOM 300 OE1 GLU A 80 -6.653 3.830 9.058 1.00 0.00 O ATOM 301 OE2 GLU A 80 -5.441 4.700 7.417 1.00 0.00 O ATOM 0 H GLU A 80 -9.587 2.251 5.810 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.206 2.153 8.354 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.917 4.212 6.954 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.243 4.457 8.553 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.563 3.697 6.119 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.846 5.357 6.603 1.00 0.00 H new ATOM 308 N GLN A 81 -11.436 1.678 8.400 1.00 0.00 N ATOM 309 CA GLN A 81 -12.446 0.993 9.221 1.00 0.00 C ATOM 310 C GLN A 81 -11.966 -0.392 9.701 1.00 0.00 C ATOM 311 O GLN A 81 -12.278 -0.823 10.813 1.00 0.00 O ATOM 312 CB GLN A 81 -13.790 0.921 8.476 1.00 0.00 C ATOM 313 CG GLN A 81 -14.637 2.189 8.676 1.00 0.00 C ATOM 314 CD GLN A 81 -13.865 3.491 8.501 1.00 0.00 C ATOM 315 OE1 GLN A 81 -13.470 4.125 9.471 1.00 0.00 O ATOM 316 NE2 GLN A 81 -13.651 3.913 7.275 1.00 0.00 N ATOM 0 H GLN A 81 -11.751 1.911 7.458 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.599 1.584 10.124 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -13.606 0.774 7.412 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.350 0.054 8.825 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -15.466 2.174 7.969 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -15.071 2.169 9.676 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.989 3.368 6.482 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.147 4.785 7.117 1.00 0.00 H new ATOM 325 N SER A 82 -11.159 -1.106 8.909 1.00 0.00 N ATOM 326 CA SER A 82 -10.488 -2.311 9.396 1.00 0.00 C ATOM 327 C SER A 82 -9.282 -2.024 10.314 1.00 0.00 C ATOM 328 O SER A 82 -8.816 -2.938 11.002 1.00 0.00 O ATOM 329 CB SER A 82 -10.111 -3.238 8.244 1.00 0.00 C ATOM 330 OG SER A 82 -8.844 -2.944 7.709 1.00 0.00 O ATOM 0 H SER A 82 -10.957 -0.872 7.937 1.00 0.00 H new ATOM 0 HA SER A 82 -11.215 -2.824 10.025 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.124 -4.270 8.594 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.861 -3.159 7.457 1.00 0.00 H new ATOM 0 HG SER A 82 -8.763 -1.977 7.571 1.00 0.00 H new ATOM 336 N ASN A 83 -8.784 -0.788 10.312 1.00 0.00 N ATOM 337 CA ASN A 83 -7.534 -0.293 10.876 1.00 0.00 C ATOM 338 C ASN A 83 -6.288 -0.857 10.176 1.00 0.00 C ATOM 339 O ASN A 83 -5.424 -1.465 10.808 1.00 0.00 O ATOM 340 CB ASN A 83 -7.491 -0.419 12.406 1.00 0.00 C ATOM 341 CG ASN A 83 -6.280 0.326 12.957 1.00 0.00 C ATOM 342 OD1 ASN A 83 -5.296 -0.274 13.384 1.00 0.00 O ATOM 343 ND2 ASN A 83 -6.291 1.644 12.902 1.00 0.00 N ATOM 0 H ASN A 83 -9.303 -0.031 9.868 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.509 0.777 10.667 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.406 -0.013 12.838 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.443 -1.470 12.691 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.478 2.174 13.215 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.112 2.133 12.546 1.00 0.00 H new ATOM 350 N ILE A 84 -6.175 -0.617 8.876 1.00 0.00 N ATOM 351 CA ILE A 84 -4.958 -0.765 8.080 1.00 0.00 C ATOM 352 C ILE A 84 -4.566 0.585 7.472 1.00 0.00 C ATOM 353 O ILE A 84 -5.279 1.079 6.608 1.00 0.00 O ATOM 354 CB ILE A 84 -5.220 -1.767 6.946 1.00 0.00 C ATOM 355 CG1 ILE A 84 -5.407 -3.175 7.523 1.00 0.00 C ATOM 356 CG2 ILE A 84 -4.086 -1.762 5.903 1.00 0.00 C ATOM 357 CD1 ILE A 84 -6.042 -4.097 6.486 1.00 0.00 C ATOM 0 H ILE A 84 -6.967 -0.298 8.318 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.150 -1.122 8.719 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.134 -1.461 6.436 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.443 -3.578 7.835 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.036 -3.130 8.412 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.310 -2.484 5.118 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.998 -0.767 5.466 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.146 -2.031 6.386 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.167 -5.092 6.912 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.015 -3.702 6.195 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.398 -4.157 5.609 1.00 0.00 H new ATOM 369 N ARG A 85 -3.392 1.120 7.805 1.00 0.00 N ATOM 370 CA ARG A 85 -2.849 2.229 7.021 1.00 0.00 C ATOM 371 C ARG A 85 -2.182 1.711 5.734 1.00 0.00 C ATOM 372 O ARG A 85 -1.662 0.591 5.674 1.00 0.00 O ATOM 373 CB ARG A 85 -1.928 3.125 7.867 1.00 0.00 C ATOM 374 CG ARG A 85 -1.812 4.514 7.209 1.00 0.00 C ATOM 375 CD ARG A 85 -1.172 5.570 8.116 1.00 0.00 C ATOM 376 NE ARG A 85 0.305 5.493 8.150 1.00 0.00 N ATOM 377 CZ ARG A 85 1.142 6.123 7.312 1.00 0.00 C ATOM 378 NH1 ARG A 85 0.749 6.569 6.135 1.00 0.00 N ATOM 379 NH2 ARG A 85 2.404 6.321 7.639 1.00 0.00 N ATOM 0 H ARG A 85 -2.813 0.816 8.588 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.674 2.869 6.709 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -2.326 3.222 8.877 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.942 2.670 7.955 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -1.223 4.426 6.296 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.806 4.852 6.916 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.470 6.561 7.774 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.559 5.452 9.128 1.00 0.00 H new ATOM 0 HE ARG A 85 0.724 4.910 8.874 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.218 6.439 5.837 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.412 7.044 5.522 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.755 5.994 8.539 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.029 6.802 6.992 1.00 0.00 H new ATOM 393 N ILE A 86 -2.201 2.530 4.688 1.00 0.00 N ATOM 394 CA ILE A 86 -1.596 2.273 3.381 1.00 0.00 C ATOM 395 C ILE A 86 -0.364 3.185 3.182 1.00 0.00 C ATOM 396 O ILE A 86 -0.472 4.385 3.434 1.00 0.00 O ATOM 397 CB ILE A 86 -2.689 2.465 2.316 1.00 0.00 C ATOM 398 CG1 ILE A 86 -3.836 1.439 2.447 1.00 0.00 C ATOM 399 CG2 ILE A 86 -2.099 2.392 0.912 1.00 0.00 C ATOM 400 CD1 ILE A 86 -3.443 -0.031 2.210 1.00 0.00 C ATOM 0 H ILE A 86 -2.662 3.439 4.729 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.221 1.253 3.298 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.109 3.456 2.486 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.265 1.525 3.445 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.621 1.705 1.739 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.892 2.531 0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.350 3.175 0.791 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.633 1.418 0.764 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.321 -0.666 2.326 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.045 -0.143 1.201 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.684 -0.326 2.934 1.00 0.00 H new ATOM 412 N PRO A 87 0.814 2.645 2.800 1.00 0.00 N ATOM 413 CA PRO A 87 1.952 3.461 2.381 1.00 0.00 C ATOM 414 C PRO A 87 1.610 4.288 1.140 1.00 0.00 C ATOM 415 O PRO A 87 1.019 3.758 0.200 1.00 0.00 O ATOM 416 CB PRO A 87 3.084 2.478 2.050 1.00 0.00 C ATOM 417 CG PRO A 87 2.684 1.176 2.738 1.00 0.00 C ATOM 418 CD PRO A 87 1.156 1.233 2.746 1.00 0.00 C ATOM 0 HA PRO A 87 2.234 4.161 3.168 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.187 2.341 0.974 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.043 2.841 2.418 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.051 0.305 2.194 1.00 0.00 H new ATOM 0 HG3 PRO A 87 3.089 1.115 3.748 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.742 0.764 1.853 1.00 0.00 H new ATOM 0 HD3 PRO A 87 0.749 0.699 3.604 1.00 0.00 H new ATOM 426 N SER A 88 2.024 5.549 1.096 1.00 0.00 N ATOM 427 CA SER A 88 1.823 6.438 -0.043 1.00 0.00 C ATOM 428 C SER A 88 2.277 5.810 -1.373 1.00 0.00 C ATOM 429 O SER A 88 1.626 6.000 -2.396 1.00 0.00 O ATOM 430 CB SER A 88 2.506 7.781 0.239 1.00 0.00 C ATOM 431 OG SER A 88 2.073 8.288 1.488 1.00 0.00 O ATOM 0 H SER A 88 2.520 5.992 1.869 1.00 0.00 H new ATOM 0 HA SER A 88 0.754 6.610 -0.166 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.589 7.655 0.243 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.271 8.492 -0.553 1.00 0.00 H new ATOM 0 HG SER A 88 2.590 7.869 2.208 1.00 0.00 H new ATOM 437 N ASP A 89 3.338 4.996 -1.368 1.00 0.00 N ATOM 438 CA ASP A 89 3.768 4.216 -2.529 1.00 0.00 C ATOM 439 C ASP A 89 2.637 3.374 -3.158 1.00 0.00 C ATOM 440 O ASP A 89 2.474 3.334 -4.375 1.00 0.00 O ATOM 441 CB ASP A 89 4.918 3.295 -2.105 1.00 0.00 C ATOM 442 CG ASP A 89 6.072 4.025 -1.473 1.00 0.00 C ATOM 443 OD1 ASP A 89 5.984 4.286 -0.259 1.00 0.00 O ATOM 444 OD2 ASP A 89 7.065 4.280 -2.184 1.00 0.00 O ATOM 0 H ASP A 89 3.928 4.860 -0.547 1.00 0.00 H new ATOM 0 HA ASP A 89 4.087 4.924 -3.294 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.539 2.554 -1.402 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.278 2.751 -2.978 1.00 0.00 H new ATOM 449 N ILE A 90 1.839 2.681 -2.334 1.00 0.00 N ATOM 450 CA ILE A 90 0.661 1.968 -2.837 1.00 0.00 C ATOM 451 C ILE A 90 -0.255 2.932 -3.589 1.00 0.00 C ATOM 452 O ILE A 90 -0.712 2.635 -4.683 1.00 0.00 O ATOM 453 CB ILE A 90 -0.129 1.304 -1.693 1.00 0.00 C ATOM 454 CG1 ILE A 90 0.600 0.124 -1.039 1.00 0.00 C ATOM 455 CG2 ILE A 90 -1.543 0.879 -2.129 1.00 0.00 C ATOM 456 CD1 ILE A 90 0.666 -1.102 -1.948 1.00 0.00 C ATOM 0 H ILE A 90 1.987 2.600 -1.328 1.00 0.00 H new ATOM 0 HA ILE A 90 1.012 1.187 -3.512 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.217 2.082 -0.935 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.612 0.429 -0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.093 -0.143 -0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.059 0.416 -1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.101 1.755 -2.460 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.472 0.164 -2.949 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.192 -1.907 -1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.345 -1.428 -2.193 1.00 0.00 H new ATOM 0 HD13 ILE A 90 1.198 -0.847 -2.865 1.00 0.00 H new ATOM 468 N ILE A 91 -0.556 4.077 -2.984 1.00 0.00 N ATOM 469 CA ILE A 91 -1.498 5.036 -3.545 1.00 0.00 C ATOM 470 C ILE A 91 -0.962 5.577 -4.883 1.00 0.00 C ATOM 471 O ILE A 91 -1.673 5.560 -5.884 1.00 0.00 O ATOM 472 CB ILE A 91 -1.808 6.101 -2.472 1.00 0.00 C ATOM 473 CG1 ILE A 91 -2.494 5.396 -1.281 1.00 0.00 C ATOM 474 CG2 ILE A 91 -2.700 7.216 -3.030 1.00 0.00 C ATOM 475 CD1 ILE A 91 -2.574 6.226 0.004 1.00 0.00 C ATOM 0 H ILE A 91 -0.154 4.365 -2.092 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.453 4.575 -3.799 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.880 6.572 -2.148 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.505 5.115 -1.578 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.956 4.472 -1.066 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.899 7.949 -2.248 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.195 7.703 -3.864 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.642 6.790 -3.375 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.071 5.646 0.781 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.568 6.485 0.333 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.140 7.138 -0.187 1.00 0.00 H new ATOM 487 N GLU A 92 0.316 5.961 -4.921 1.00 0.00 N ATOM 488 CA GLU A 92 1.049 6.291 -6.146 1.00 0.00 C ATOM 489 C GLU A 92 0.823 5.251 -7.266 1.00 0.00 C ATOM 490 O GLU A 92 0.322 5.593 -8.340 1.00 0.00 O ATOM 491 CB GLU A 92 2.534 6.481 -5.782 1.00 0.00 C ATOM 492 CG GLU A 92 3.517 6.443 -6.970 1.00 0.00 C ATOM 493 CD GLU A 92 3.139 7.325 -8.140 1.00 0.00 C ATOM 494 OE1 GLU A 92 2.636 8.446 -7.924 1.00 0.00 O ATOM 495 OE2 GLU A 92 3.298 6.881 -9.300 1.00 0.00 O ATOM 0 H GLU A 92 0.885 6.053 -4.079 1.00 0.00 H new ATOM 0 HA GLU A 92 0.668 7.223 -6.564 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.646 7.437 -5.271 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.819 5.705 -5.072 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.504 6.739 -6.615 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.600 5.414 -7.321 1.00 0.00 H new ATOM 502 N ASP A 93 1.163 3.983 -7.008 1.00 0.00 N ATOM 503 CA ASP A 93 1.053 2.915 -7.991 1.00 0.00 C ATOM 504 C ASP A 93 -0.420 2.710 -8.382 1.00 0.00 C ATOM 505 O ASP A 93 -0.817 2.905 -9.530 1.00 0.00 O ATOM 506 CB ASP A 93 1.727 1.658 -7.407 1.00 0.00 C ATOM 507 CG ASP A 93 1.763 0.493 -8.377 1.00 0.00 C ATOM 508 OD1 ASP A 93 1.953 0.738 -9.584 1.00 0.00 O ATOM 509 OD2 ASP A 93 1.596 -0.654 -7.906 1.00 0.00 O ATOM 0 H ASP A 93 1.523 3.674 -6.105 1.00 0.00 H new ATOM 0 HA ASP A 93 1.569 3.164 -8.918 1.00 0.00 H new ATOM 0 HB2 ASP A 93 2.746 1.905 -7.109 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.196 1.355 -6.505 1.00 0.00 H new ATOM 514 N LEU A 94 -1.264 2.388 -7.405 1.00 0.00 N ATOM 515 CA LEU A 94 -2.682 2.068 -7.611 1.00 0.00 C ATOM 516 C LEU A 94 -3.433 3.152 -8.407 1.00 0.00 C ATOM 517 O LEU A 94 -4.179 2.850 -9.338 1.00 0.00 O ATOM 518 CB LEU A 94 -3.369 1.777 -6.266 1.00 0.00 C ATOM 519 CG LEU A 94 -4.419 0.655 -6.307 1.00 0.00 C ATOM 520 CD1 LEU A 94 -5.496 0.832 -7.366 1.00 0.00 C ATOM 521 CD2 LEU A 94 -3.762 -0.710 -6.479 1.00 0.00 C ATOM 0 H LEU A 94 -0.980 2.340 -6.427 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.721 1.167 -8.223 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.606 1.514 -5.534 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.848 2.691 -5.914 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.920 0.716 -5.341 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.192 -0.006 -7.321 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.035 1.762 -7.185 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.034 0.867 -8.353 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.530 -1.483 -6.504 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.199 -0.728 -7.412 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.087 -0.897 -5.644 1.00 0.00 H new ATOM 533 N VAL A 95 -3.206 4.432 -8.094 1.00 0.00 N ATOM 534 CA VAL A 95 -3.719 5.537 -8.905 1.00 0.00 C ATOM 535 C VAL A 95 -3.420 5.333 -10.404 1.00 0.00 C ATOM 536 O VAL A 95 -4.345 5.418 -11.222 1.00 0.00 O ATOM 537 CB VAL A 95 -3.219 6.887 -8.355 1.00 0.00 C ATOM 538 CG1 VAL A 95 -3.467 8.048 -9.330 1.00 0.00 C ATOM 539 CG2 VAL A 95 -3.962 7.216 -7.052 1.00 0.00 C ATOM 0 H VAL A 95 -2.667 4.728 -7.280 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.806 5.551 -8.829 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.146 6.783 -8.197 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.096 8.975 -8.893 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.945 7.854 -10.267 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.536 8.140 -9.522 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.609 8.171 -6.663 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -5.032 7.278 -7.249 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.773 6.433 -6.318 1.00 0.00 H new ATOM 549 N ASN A 96 -2.165 5.016 -10.754 1.00 0.00 N ATOM 550 CA ASN A 96 -1.730 4.689 -12.118 1.00 0.00 C ATOM 551 C ASN A 96 -2.382 3.403 -12.657 1.00 0.00 C ATOM 552 O ASN A 96 -2.895 3.368 -13.775 1.00 0.00 O ATOM 553 CB ASN A 96 -0.202 4.501 -12.187 1.00 0.00 C ATOM 554 CG ASN A 96 0.617 5.589 -11.510 1.00 0.00 C ATOM 555 OD1 ASN A 96 0.292 6.771 -11.578 1.00 0.00 O ATOM 556 ND2 ASN A 96 1.726 5.211 -10.894 1.00 0.00 N ATOM 0 H ASN A 96 -1.404 4.979 -10.076 1.00 0.00 H new ATOM 0 HA ASN A 96 -2.042 5.534 -12.732 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.051 3.543 -11.733 1.00 0.00 H new ATOM 0 HB3 ASN A 96 0.094 4.445 -13.235 1.00 0.00 H new ATOM 0 HD21 ASN A 96 2.332 5.908 -10.462 1.00 0.00 H new ATOM 0 HD22 ASN A 96 1.974 4.223 -10.851 1.00 0.00 H new ATOM 563 N GLN A 97 -2.309 2.327 -11.872 1.00 0.00 N ATOM 564 CA GLN A 97 -2.729 0.966 -12.197 1.00 0.00 C ATOM 565 C GLN A 97 -4.255 0.888 -12.211 1.00 0.00 C ATOM 566 O GLN A 97 -4.893 0.368 -11.298 1.00 0.00 O ATOM 567 CB GLN A 97 -2.141 -0.019 -11.175 1.00 0.00 C ATOM 568 CG GLN A 97 -0.615 0.064 -11.020 1.00 0.00 C ATOM 569 CD GLN A 97 0.197 -0.584 -12.126 1.00 0.00 C ATOM 570 OE1 GLN A 97 -0.322 -1.106 -13.105 1.00 0.00 O ATOM 571 NE2 GLN A 97 1.507 -0.533 -11.987 1.00 0.00 N ATOM 0 H GLN A 97 -1.928 2.390 -10.928 1.00 0.00 H new ATOM 0 HA GLN A 97 -2.359 0.696 -13.186 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -2.603 0.164 -10.205 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.410 -1.033 -11.470 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -0.332 1.115 -10.955 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.339 -0.400 -10.073 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.916 -0.093 -11.163 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.112 -0.934 -12.704 1.00 0.00 H new ATOM 580 N ARG A 98 -4.847 1.471 -13.247 1.00 0.00 N ATOM 581 CA ARG A 98 -6.286 1.677 -13.358 1.00 0.00 C ATOM 582 C ARG A 98 -7.107 0.390 -13.574 1.00 0.00 C ATOM 583 O ARG A 98 -7.679 0.161 -14.639 1.00 0.00 O ATOM 584 CB ARG A 98 -6.550 2.777 -14.399 1.00 0.00 C ATOM 585 CG ARG A 98 -8.007 3.266 -14.465 1.00 0.00 C ATOM 586 CD ARG A 98 -8.657 3.474 -13.091 1.00 0.00 C ATOM 587 NE ARG A 98 -7.760 4.199 -12.165 1.00 0.00 N ATOM 588 CZ ARG A 98 -7.882 4.257 -10.838 1.00 0.00 C ATOM 589 NH1 ARG A 98 -8.934 3.743 -10.229 1.00 0.00 N ATOM 590 NH2 ARG A 98 -6.941 4.849 -10.134 1.00 0.00 N ATOM 0 H ARG A 98 -4.328 1.822 -14.052 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.655 2.017 -12.390 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -5.905 3.628 -14.179 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.262 2.404 -15.382 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.040 4.205 -15.017 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.597 2.544 -15.029 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -9.586 4.032 -13.209 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.918 2.507 -12.662 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.975 4.701 -12.580 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.669 3.293 -10.774 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -9.012 3.796 -9.213 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -6.132 5.256 -10.604 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -7.020 4.901 -9.118 1.00 0.00 H new ATOM 604 N LEU A 99 -7.209 -0.404 -12.511 1.00 0.00 N ATOM 605 CA LEU A 99 -8.163 -1.491 -12.329 1.00 0.00 C ATOM 606 C LEU A 99 -9.605 -0.950 -12.288 1.00 0.00 C ATOM 607 O LEU A 99 -9.819 0.249 -12.097 1.00 0.00 O ATOM 608 CB LEU A 99 -7.826 -2.191 -11.007 1.00 0.00 C ATOM 609 CG LEU A 99 -6.370 -2.686 -10.896 1.00 0.00 C ATOM 610 CD1 LEU A 99 -6.012 -2.993 -9.444 1.00 0.00 C ATOM 611 CD2 LEU A 99 -6.150 -3.935 -11.756 1.00 0.00 C ATOM 0 H LEU A 99 -6.590 -0.298 -11.707 1.00 0.00 H new ATOM 0 HA LEU A 99 -8.096 -2.190 -13.163 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -8.026 -1.503 -10.186 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.496 -3.042 -10.880 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.721 -1.889 -11.260 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.980 -3.341 -9.389 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.123 -2.090 -8.843 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -6.677 -3.768 -9.061 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.115 -4.265 -11.661 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.816 -4.730 -11.421 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.361 -3.700 -12.799 1.00 0.00 H new ATOM 623 N GLN A 100 -10.604 -1.817 -12.460 1.00 0.00 N ATOM 624 CA GLN A 100 -12.001 -1.396 -12.558 1.00 0.00 C ATOM 625 C GLN A 100 -12.660 -1.323 -11.171 1.00 0.00 C ATOM 626 O GLN A 100 -13.059 -0.246 -10.729 1.00 0.00 O ATOM 627 CB GLN A 100 -12.810 -2.301 -13.508 1.00 0.00 C ATOM 628 CG GLN A 100 -12.032 -2.893 -14.698 1.00 0.00 C ATOM 629 CD GLN A 100 -12.772 -4.068 -15.319 1.00 0.00 C ATOM 630 OE1 GLN A 100 -13.146 -4.044 -16.486 1.00 0.00 O ATOM 631 NE2 GLN A 100 -13.000 -5.120 -14.553 1.00 0.00 N ATOM 0 H GLN A 100 -10.468 -2.825 -12.535 1.00 0.00 H new ATOM 0 HA GLN A 100 -12.003 -0.393 -12.986 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -13.228 -3.123 -12.927 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -13.650 -1.727 -13.898 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -11.875 -2.121 -15.452 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -11.046 -3.218 -14.364 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -12.682 -5.124 -13.584 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -13.494 -5.928 -14.931 1.00 0.00 H new ATOM 640 N SER A 101 -12.805 -2.467 -10.499 1.00 0.00 N ATOM 641 CA SER A 101 -13.667 -2.609 -9.321 1.00 0.00 C ATOM 642 C SER A 101 -12.931 -2.663 -7.972 1.00 0.00 C ATOM 643 O SER A 101 -11.741 -2.970 -7.875 1.00 0.00 O ATOM 644 CB SER A 101 -14.525 -3.867 -9.485 1.00 0.00 C ATOM 645 OG SER A 101 -13.698 -5.020 -9.458 1.00 0.00 O ATOM 0 H SER A 101 -12.324 -3.328 -10.758 1.00 0.00 H new ATOM 0 HA SER A 101 -14.271 -1.703 -9.282 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.265 -3.920 -8.686 1.00 0.00 H new ATOM 0 HB3 SER A 101 -15.074 -3.824 -10.426 1.00 0.00 H new ATOM 0 HG SER A 101 -13.177 -5.068 -10.286 1.00 0.00 H new ATOM 651 N GLU A 102 -13.690 -2.434 -6.900 1.00 0.00 N ATOM 652 CA GLU A 102 -13.318 -2.634 -5.498 1.00 0.00 C ATOM 653 C GLU A 102 -12.624 -3.990 -5.303 1.00 0.00 C ATOM 654 O GLU A 102 -11.618 -4.139 -4.610 1.00 0.00 O ATOM 655 CB GLU A 102 -14.565 -2.554 -4.595 1.00 0.00 C ATOM 656 CG GLU A 102 -15.593 -1.509 -5.059 1.00 0.00 C ATOM 657 CD GLU A 102 -16.586 -2.125 -6.039 1.00 0.00 C ATOM 658 OE1 GLU A 102 -17.456 -2.886 -5.567 1.00 0.00 O ATOM 659 OE2 GLU A 102 -16.351 -1.942 -7.252 1.00 0.00 O ATOM 0 H GLU A 102 -14.642 -2.081 -6.993 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.622 -1.843 -5.219 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -15.043 -3.533 -4.562 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -14.253 -2.318 -3.578 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.127 -1.109 -4.197 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -15.079 -0.672 -5.532 1.00 0.00 H new ATOM 666 N GLN A 103 -13.170 -5.012 -5.958 1.00 0.00 N ATOM 667 CA GLN A 103 -12.640 -6.358 -5.935 1.00 0.00 C ATOM 668 C GLN A 103 -11.214 -6.422 -6.487 1.00 0.00 C ATOM 669 O GLN A 103 -10.333 -7.052 -5.898 1.00 0.00 O ATOM 670 CB GLN A 103 -13.624 -7.240 -6.721 1.00 0.00 C ATOM 671 CG GLN A 103 -13.185 -8.697 -6.901 1.00 0.00 C ATOM 672 CD GLN A 103 -12.761 -9.368 -5.608 1.00 0.00 C ATOM 673 OE1 GLN A 103 -11.805 -10.141 -5.596 1.00 0.00 O ATOM 674 NE2 GLN A 103 -13.456 -9.118 -4.513 1.00 0.00 N ATOM 0 H GLN A 103 -14.010 -4.918 -6.529 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.554 -6.721 -4.911 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -14.587 -7.227 -6.211 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -13.778 -6.798 -7.706 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -14.005 -9.263 -7.342 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -12.356 -8.733 -7.608 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -14.245 -8.473 -4.546 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -13.203 -9.570 -3.634 1.00 0.00 H new ATOM 683 N GLU A 104 -10.972 -5.779 -7.620 1.00 0.00 N ATOM 684 CA GLU A 104 -9.651 -5.745 -8.223 1.00 0.00 C ATOM 685 C GLU A 104 -8.673 -4.935 -7.376 1.00 0.00 C ATOM 686 O GLU A 104 -7.576 -5.410 -7.078 1.00 0.00 O ATOM 687 CB GLU A 104 -9.753 -5.150 -9.615 1.00 0.00 C ATOM 688 CG GLU A 104 -10.603 -6.014 -10.548 1.00 0.00 C ATOM 689 CD GLU A 104 -11.078 -5.161 -11.705 1.00 0.00 C ATOM 690 OE1 GLU A 104 -10.216 -4.567 -12.379 1.00 0.00 O ATOM 691 OE2 GLU A 104 -12.311 -5.012 -11.820 1.00 0.00 O ATOM 0 H GLU A 104 -11.683 -5.269 -8.144 1.00 0.00 H new ATOM 0 HA GLU A 104 -9.270 -6.765 -8.283 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.186 -4.152 -9.551 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.754 -5.038 -10.035 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -10.020 -6.858 -10.916 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.455 -6.426 -10.008 1.00 0.00 H new ATOM 698 N VAL A 105 -9.059 -3.727 -6.955 1.00 0.00 N ATOM 699 CA VAL A 105 -8.145 -2.898 -6.182 1.00 0.00 C ATOM 700 C VAL A 105 -7.836 -3.574 -4.848 1.00 0.00 C ATOM 701 O VAL A 105 -6.679 -3.596 -4.451 1.00 0.00 O ATOM 702 CB VAL A 105 -8.601 -1.439 -6.039 1.00 0.00 C ATOM 703 CG1 VAL A 105 -8.911 -0.801 -7.396 1.00 0.00 C ATOM 704 CG2 VAL A 105 -9.821 -1.315 -5.140 1.00 0.00 C ATOM 0 H VAL A 105 -9.975 -3.314 -7.133 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.214 -2.819 -6.744 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.767 -0.906 -5.582 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.230 0.231 -7.249 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -8.017 -0.819 -8.019 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.707 -1.360 -7.888 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -10.112 -0.267 -5.064 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -10.644 -1.891 -5.562 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.582 -1.698 -4.148 1.00 0.00 H new ATOM 714 N LEU A 106 -8.801 -4.234 -4.191 1.00 0.00 N ATOM 715 CA LEU A 106 -8.436 -4.966 -2.979 1.00 0.00 C ATOM 716 C LEU A 106 -7.486 -6.134 -3.281 1.00 0.00 C ATOM 717 O LEU A 106 -6.551 -6.371 -2.520 1.00 0.00 O ATOM 718 CB LEU A 106 -9.648 -5.304 -2.095 1.00 0.00 C ATOM 719 CG LEU A 106 -10.512 -6.516 -2.476 1.00 0.00 C ATOM 720 CD1 LEU A 106 -9.855 -7.865 -2.156 1.00 0.00 C ATOM 721 CD2 LEU A 106 -11.813 -6.419 -1.676 1.00 0.00 C ATOM 0 H LEU A 106 -9.784 -4.275 -4.460 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.851 -4.296 -2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -9.285 -5.461 -1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -10.296 -4.428 -2.071 1.00 0.00 H new ATOM 0 HG LEU A 106 -10.667 -6.486 -3.555 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.523 -8.674 -2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.916 -7.951 -2.703 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.659 -7.930 -1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -12.455 -7.266 -1.921 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -11.586 -6.432 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -12.326 -5.491 -1.927 1.00 0.00 H new ATOM 733 N ASN A 107 -7.650 -6.841 -4.408 1.00 0.00 N ATOM 734 CA ASN A 107 -6.688 -7.880 -4.789 1.00 0.00 C ATOM 735 C ASN A 107 -5.276 -7.302 -4.958 1.00 0.00 C ATOM 736 O ASN A 107 -4.329 -7.736 -4.297 1.00 0.00 O ATOM 737 CB ASN A 107 -7.128 -8.599 -6.075 1.00 0.00 C ATOM 738 CG ASN A 107 -8.416 -9.385 -5.901 1.00 0.00 C ATOM 739 OD1 ASN A 107 -8.653 -10.027 -4.880 1.00 0.00 O ATOM 740 ND2 ASN A 107 -9.260 -9.439 -6.917 1.00 0.00 N ATOM 0 H ASN A 107 -8.425 -6.715 -5.059 1.00 0.00 H new ATOM 0 HA ASN A 107 -6.662 -8.609 -3.979 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.261 -7.864 -6.869 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.336 -9.275 -6.396 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -10.102 -10.011 -6.851 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -9.069 -8.909 -7.767 1.00 0.00 H new ATOM 747 N TYR A 108 -5.130 -6.333 -5.858 1.00 0.00 N ATOM 748 CA TYR A 108 -3.846 -5.721 -6.170 1.00 0.00 C ATOM 749 C TYR A 108 -3.230 -5.036 -4.939 1.00 0.00 C ATOM 750 O TYR A 108 -2.094 -5.335 -4.575 1.00 0.00 O ATOM 751 CB TYR A 108 -4.028 -4.772 -7.355 1.00 0.00 C ATOM 752 CG TYR A 108 -2.736 -4.230 -7.935 1.00 0.00 C ATOM 753 CD1 TYR A 108 -2.049 -3.206 -7.265 1.00 0.00 C ATOM 754 CD2 TYR A 108 -2.255 -4.689 -9.176 1.00 0.00 C ATOM 755 CE1 TYR A 108 -0.972 -2.557 -7.883 1.00 0.00 C ATOM 756 CE2 TYR A 108 -1.086 -4.126 -9.725 1.00 0.00 C ATOM 757 CZ TYR A 108 -0.446 -3.057 -9.080 1.00 0.00 C ATOM 758 OH TYR A 108 0.764 -2.644 -9.526 1.00 0.00 O ATOM 0 H TYR A 108 -5.908 -5.949 -6.395 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.130 -6.492 -6.456 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -4.573 -5.294 -8.141 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.649 -3.934 -7.040 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.352 -2.917 -6.269 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.780 -5.470 -9.705 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -0.547 -1.670 -7.436 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -0.681 -4.519 -10.646 1.00 0.00 H new ATOM 0 HH TYR A 108 0.996 -1.792 -9.100 1.00 0.00 H new ATOM 768 N ILE A 109 -3.977 -4.167 -4.251 1.00 0.00 N ATOM 769 CA ILE A 109 -3.508 -3.521 -3.026 1.00 0.00 C ATOM 770 C ILE A 109 -3.021 -4.561 -2.010 1.00 0.00 C ATOM 771 O ILE A 109 -1.880 -4.490 -1.569 1.00 0.00 O ATOM 772 CB ILE A 109 -4.570 -2.616 -2.377 1.00 0.00 C ATOM 773 CG1 ILE A 109 -4.856 -1.388 -3.252 1.00 0.00 C ATOM 774 CG2 ILE A 109 -4.066 -2.154 -1.000 1.00 0.00 C ATOM 775 CD1 ILE A 109 -6.026 -0.565 -2.711 1.00 0.00 C ATOM 0 H ILE A 109 -4.920 -3.894 -4.528 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.676 -2.882 -3.322 1.00 0.00 H new ATOM 0 HB ILE A 109 -5.493 -3.185 -2.270 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -3.965 -0.763 -3.303 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -5.078 -1.710 -4.269 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -4.814 -1.512 -0.535 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.890 -3.023 -0.367 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.136 -1.598 -1.121 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -6.196 0.295 -3.359 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.924 -1.183 -2.685 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -5.793 -0.220 -1.704 1.00 0.00 H new ATOM 787 N GLU A 110 -3.845 -5.546 -1.633 1.00 0.00 N ATOM 788 CA GLU A 110 -3.428 -6.592 -0.695 1.00 0.00 C ATOM 789 C GLU A 110 -2.142 -7.323 -1.171 1.00 0.00 C ATOM 790 O GLU A 110 -1.284 -7.688 -0.356 1.00 0.00 O ATOM 791 CB GLU A 110 -4.608 -7.543 -0.422 1.00 0.00 C ATOM 792 CG GLU A 110 -5.803 -6.894 0.314 1.00 0.00 C ATOM 793 CD GLU A 110 -5.640 -6.810 1.817 1.00 0.00 C ATOM 794 OE1 GLU A 110 -4.824 -5.989 2.271 1.00 0.00 O ATOM 795 OE2 GLU A 110 -6.309 -7.595 2.526 1.00 0.00 O ATOM 0 H GLU A 110 -4.805 -5.639 -1.964 1.00 0.00 H new ATOM 0 HA GLU A 110 -3.153 -6.130 0.253 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -4.959 -7.946 -1.372 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.249 -8.386 0.169 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.954 -5.889 -0.080 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -6.705 -7.463 0.090 1.00 0.00 H new ATOM 802 N THR A 111 -1.978 -7.502 -2.487 1.00 0.00 N ATOM 803 CA THR A 111 -0.748 -8.036 -3.092 1.00 0.00 C ATOM 804 C THR A 111 0.467 -7.107 -2.915 1.00 0.00 C ATOM 805 O THR A 111 1.445 -7.504 -2.282 1.00 0.00 O ATOM 806 CB THR A 111 -0.969 -8.423 -4.564 1.00 0.00 C ATOM 807 OG1 THR A 111 -2.048 -9.330 -4.642 1.00 0.00 O ATOM 808 CG2 THR A 111 0.251 -9.134 -5.151 1.00 0.00 C ATOM 0 H THR A 111 -2.702 -7.279 -3.170 1.00 0.00 H new ATOM 0 HA THR A 111 -0.505 -8.946 -2.543 1.00 0.00 H new ATOM 0 HB THR A 111 -1.159 -7.505 -5.120 1.00 0.00 H new ATOM 0 HG1 THR A 111 -2.892 -8.845 -4.528 1.00 0.00 H new ATOM 0 HG21 THR A 111 0.056 -9.391 -6.192 1.00 0.00 H new ATOM 0 HG22 THR A 111 1.118 -8.475 -5.096 1.00 0.00 H new ATOM 0 HG23 THR A 111 0.450 -10.043 -4.584 1.00 0.00 H new ATOM 816 N GLN A 112 0.431 -5.863 -3.400 1.00 0.00 N ATOM 817 CA GLN A 112 1.536 -4.914 -3.231 1.00 0.00 C ATOM 818 C GLN A 112 1.839 -4.631 -1.743 1.00 0.00 C ATOM 819 O GLN A 112 2.983 -4.539 -1.312 1.00 0.00 O ATOM 820 CB GLN A 112 1.218 -3.621 -3.990 1.00 0.00 C ATOM 821 CG GLN A 112 1.231 -3.754 -5.516 1.00 0.00 C ATOM 822 CD GLN A 112 2.643 -3.770 -6.080 1.00 0.00 C ATOM 823 OE1 GLN A 112 3.408 -4.696 -5.839 1.00 0.00 O ATOM 824 NE2 GLN A 112 3.035 -2.737 -6.795 1.00 0.00 N ATOM 0 H GLN A 112 -0.362 -5.486 -3.919 1.00 0.00 H new ATOM 0 HA GLN A 112 2.438 -5.362 -3.647 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.236 -3.265 -3.678 1.00 0.00 H new ATOM 0 HB3 GLN A 112 1.940 -2.858 -3.699 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.717 -4.671 -5.803 1.00 0.00 H new ATOM 0 HG3 GLN A 112 0.675 -2.926 -5.956 1.00 0.00 H new ATOM 0 HE21 GLN A 112 2.386 -1.974 -6.987 1.00 0.00 H new ATOM 0 HE22 GLN A 112 3.988 -2.700 -7.157 1.00 0.00 H new ATOM 833 N ARG A 113 0.803 -4.561 -0.913 1.00 0.00 N ATOM 834 CA ARG A 113 0.900 -4.554 0.542 1.00 0.00 C ATOM 835 C ARG A 113 1.642 -5.801 1.063 1.00 0.00 C ATOM 836 O ARG A 113 2.360 -5.749 2.059 1.00 0.00 O ATOM 837 CB ARG A 113 -0.527 -4.433 1.090 1.00 0.00 C ATOM 838 CG ARG A 113 -0.638 -4.372 2.614 1.00 0.00 C ATOM 839 CD ARG A 113 -2.098 -4.062 2.969 1.00 0.00 C ATOM 840 NE ARG A 113 -2.356 -4.221 4.416 1.00 0.00 N ATOM 841 CZ ARG A 113 -2.913 -5.271 5.036 1.00 0.00 C ATOM 842 NH1 ARG A 113 -3.376 -6.319 4.394 1.00 0.00 N ATOM 843 NH2 ARG A 113 -3.017 -5.291 6.346 1.00 0.00 N ATOM 0 H ARG A 113 -0.159 -4.506 -1.246 1.00 0.00 H new ATOM 0 HA ARG A 113 1.494 -3.709 0.890 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -0.984 -3.536 0.673 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -1.109 -5.283 0.733 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -0.331 -5.319 3.057 1.00 0.00 H new ATOM 0 HG3 ARG A 113 0.023 -3.603 3.014 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -2.337 -3.042 2.667 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -2.757 -4.724 2.407 1.00 0.00 H new ATOM 0 HE ARG A 113 -2.078 -3.441 5.012 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -3.321 -6.359 3.376 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -3.791 -7.093 4.913 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -2.673 -4.505 6.897 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -3.442 -6.093 6.812 1.00 0.00 H new ATOM 857 N THR A 114 1.481 -6.955 0.418 1.00 0.00 N ATOM 858 CA THR A 114 2.293 -8.145 0.682 1.00 0.00 C ATOM 859 C THR A 114 3.741 -8.051 0.170 1.00 0.00 C ATOM 860 O THR A 114 4.641 -8.467 0.900 1.00 0.00 O ATOM 861 CB THR A 114 1.528 -9.419 0.310 1.00 0.00 C ATOM 862 OG1 THR A 114 0.387 -9.446 1.157 1.00 0.00 O ATOM 863 CG2 THR A 114 2.340 -10.690 0.556 1.00 0.00 C ATOM 0 H THR A 114 0.778 -7.093 -0.308 1.00 0.00 H new ATOM 0 HA THR A 114 2.454 -8.205 1.758 1.00 0.00 H new ATOM 0 HB THR A 114 1.286 -9.399 -0.753 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.314 -8.874 0.780 1.00 0.00 H new ATOM 0 HG21 THR A 114 1.747 -11.560 0.274 1.00 0.00 H new ATOM 0 HG22 THR A 114 3.250 -10.662 -0.043 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.602 -10.756 1.612 1.00 0.00 H new ATOM 871 N TYR A 115 4.004 -7.410 -0.974 1.00 0.00 N ATOM 872 CA TYR A 115 5.356 -6.916 -1.279 1.00 0.00 C ATOM 873 C TYR A 115 5.916 -6.102 -0.099 1.00 0.00 C ATOM 874 O TYR A 115 6.918 -6.497 0.490 1.00 0.00 O ATOM 875 CB TYR A 115 5.399 -6.148 -2.616 1.00 0.00 C ATOM 876 CG TYR A 115 6.378 -4.978 -2.705 1.00 0.00 C ATOM 877 CD1 TYR A 115 7.750 -5.168 -2.442 1.00 0.00 C ATOM 878 CD2 TYR A 115 5.917 -3.696 -3.063 1.00 0.00 C ATOM 879 CE1 TYR A 115 8.640 -4.078 -2.498 1.00 0.00 C ATOM 880 CE2 TYR A 115 6.820 -2.621 -3.166 1.00 0.00 C ATOM 881 CZ TYR A 115 8.179 -2.808 -2.879 1.00 0.00 C ATOM 882 OH TYR A 115 9.066 -1.791 -3.039 1.00 0.00 O ATOM 0 H TYR A 115 3.310 -7.222 -1.697 1.00 0.00 H new ATOM 0 HA TYR A 115 6.012 -7.776 -1.412 1.00 0.00 H new ATOM 0 HB2 TYR A 115 5.643 -6.857 -3.408 1.00 0.00 H new ATOM 0 HB3 TYR A 115 4.398 -5.770 -2.824 1.00 0.00 H new ATOM 0 HD1 TYR A 115 8.120 -6.153 -2.197 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.867 -3.537 -3.259 1.00 0.00 H new ATOM 0 HE1 TYR A 115 9.681 -4.220 -2.247 1.00 0.00 H new ATOM 0 HE2 TYR A 115 6.464 -1.647 -3.468 1.00 0.00 H new ATOM 0 HH TYR A 115 8.906 -1.107 -2.356 1.00 0.00 H new ATOM 892 N TRP A 116 5.251 -5.023 0.313 1.00 0.00 N ATOM 893 CA TRP A 116 5.688 -4.225 1.458 1.00 0.00 C ATOM 894 C TRP A 116 5.913 -5.055 2.730 1.00 0.00 C ATOM 895 O TRP A 116 6.905 -4.881 3.436 1.00 0.00 O ATOM 896 CB TRP A 116 4.743 -3.045 1.693 1.00 0.00 C ATOM 897 CG TRP A 116 4.848 -1.980 0.650 1.00 0.00 C ATOM 898 CD1 TRP A 116 3.844 -1.503 -0.118 1.00 0.00 C ATOM 899 CD2 TRP A 116 6.049 -1.275 0.225 1.00 0.00 C ATOM 900 NE1 TRP A 116 4.344 -0.577 -1.009 1.00 0.00 N ATOM 901 CE2 TRP A 116 5.702 -0.406 -0.850 1.00 0.00 C ATOM 902 CE3 TRP A 116 7.402 -1.294 0.632 1.00 0.00 C ATOM 903 CZ2 TRP A 116 6.654 0.379 -1.507 1.00 0.00 C ATOM 904 CZ3 TRP A 116 8.361 -0.508 -0.021 1.00 0.00 C ATOM 905 CH2 TRP A 116 7.988 0.319 -1.088 1.00 0.00 C ATOM 0 H TRP A 116 4.401 -4.679 -0.134 1.00 0.00 H new ATOM 0 HA TRP A 116 6.669 -3.824 1.204 1.00 0.00 H new ATOM 0 HB2 TRP A 116 3.717 -3.412 1.724 1.00 0.00 H new ATOM 0 HB3 TRP A 116 4.955 -2.609 2.669 1.00 0.00 H new ATOM 0 HD1 TRP A 116 2.809 -1.801 -0.045 1.00 0.00 H new ATOM 0 HE1 TRP A 116 3.780 -0.081 -1.699 1.00 0.00 H new ATOM 0 HE3 TRP A 116 7.701 -1.923 1.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 6.365 1.022 -2.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 9.392 -0.540 0.300 1.00 0.00 H new ATOM 0 HH2 TRP A 116 8.735 0.915 -1.591 1.00 0.00 H new ATOM 916 N LYS A 117 5.029 -6.005 3.022 1.00 0.00 N ATOM 917 CA LYS A 117 5.234 -6.924 4.135 1.00 0.00 C ATOM 918 C LYS A 117 6.570 -7.686 4.022 1.00 0.00 C ATOM 919 O LYS A 117 7.389 -7.633 4.941 1.00 0.00 O ATOM 920 CB LYS A 117 4.020 -7.864 4.210 1.00 0.00 C ATOM 921 CG LYS A 117 4.006 -8.819 5.404 1.00 0.00 C ATOM 922 CD LYS A 117 2.592 -9.362 5.703 1.00 0.00 C ATOM 923 CE LYS A 117 1.824 -9.948 4.502 1.00 0.00 C ATOM 924 NZ LYS A 117 1.019 -8.934 3.775 1.00 0.00 N ATOM 0 H LYS A 117 4.164 -6.158 2.503 1.00 0.00 H new ATOM 0 HA LYS A 117 5.310 -6.362 5.066 1.00 0.00 H new ATOM 0 HB2 LYS A 117 3.114 -7.259 4.239 1.00 0.00 H new ATOM 0 HB3 LYS A 117 3.980 -8.453 3.294 1.00 0.00 H new ATOM 0 HG2 LYS A 117 4.679 -9.653 5.207 1.00 0.00 H new ATOM 0 HG3 LYS A 117 4.388 -8.302 6.284 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.675 -10.135 6.467 1.00 0.00 H new ATOM 0 HD3 LYS A 117 1.997 -8.554 6.130 1.00 0.00 H new ATOM 0 HE2 LYS A 117 2.534 -10.403 3.811 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.166 -10.743 4.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 0.594 -9.368 2.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 0.266 -8.577 4.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.632 -8.145 3.487 1.00 0.00 H new ATOM 938 N LEU A 118 6.808 -8.373 2.901 1.00 0.00 N ATOM 939 CA LEU A 118 8.036 -9.147 2.681 1.00 0.00 C ATOM 940 C LEU A 118 9.290 -8.260 2.587 1.00 0.00 C ATOM 941 O LEU A 118 10.362 -8.625 3.067 1.00 0.00 O ATOM 942 CB LEU A 118 7.869 -10.032 1.440 1.00 0.00 C ATOM 943 CG LEU A 118 6.775 -11.103 1.605 1.00 0.00 C ATOM 944 CD1 LEU A 118 6.542 -11.785 0.254 1.00 0.00 C ATOM 945 CD2 LEU A 118 7.143 -12.167 2.647 1.00 0.00 C ATOM 0 H LEU A 118 6.155 -8.409 2.119 1.00 0.00 H new ATOM 0 HA LEU A 118 8.194 -9.783 3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 118 7.628 -9.404 0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 118 8.818 -10.521 1.220 1.00 0.00 H new ATOM 0 HG LEU A 118 5.873 -10.602 1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 118 5.769 -12.546 0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.224 -11.043 -0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 118 7.468 -12.252 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 118 6.337 -12.897 2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 118 8.061 -12.671 2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 118 7.293 -11.691 3.616 1.00 0.00 H new ATOM 957 N GLU A 119 9.172 -7.061 2.022 1.00 0.00 N ATOM 958 CA GLU A 119 10.204 -6.033 2.090 1.00 0.00 C ATOM 959 C GLU A 119 10.567 -5.738 3.552 1.00 0.00 C ATOM 960 O GLU A 119 11.663 -6.048 4.016 1.00 0.00 O ATOM 961 CB GLU A 119 9.717 -4.794 1.322 1.00 0.00 C ATOM 962 CG GLU A 119 10.619 -3.562 1.516 1.00 0.00 C ATOM 963 CD GLU A 119 12.083 -3.875 1.328 1.00 0.00 C ATOM 964 OE1 GLU A 119 12.511 -4.073 0.174 1.00 0.00 O ATOM 965 OE2 GLU A 119 12.761 -4.115 2.349 1.00 0.00 O ATOM 0 H GLU A 119 8.346 -6.774 1.498 1.00 0.00 H new ATOM 0 HA GLU A 119 11.124 -6.375 1.616 1.00 0.00 H new ATOM 0 HB2 GLU A 119 9.663 -5.032 0.260 1.00 0.00 H new ATOM 0 HB3 GLU A 119 8.705 -4.549 1.646 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.324 -2.786 0.809 1.00 0.00 H new ATOM 0 HG3 GLU A 119 10.464 -3.157 2.516 1.00 0.00 H new ATOM 972 N ASN A 120 9.612 -5.229 4.326 1.00 0.00 N ATOM 973 CA ASN A 120 9.794 -4.864 5.730 1.00 0.00 C ATOM 974 C ASN A 120 10.167 -6.044 6.643 1.00 0.00 C ATOM 975 O ASN A 120 10.556 -5.848 7.798 1.00 0.00 O ATOM 976 CB ASN A 120 8.557 -4.112 6.208 1.00 0.00 C ATOM 977 CG ASN A 120 8.470 -2.742 5.550 1.00 0.00 C ATOM 978 OD1 ASN A 120 9.311 -1.880 5.764 1.00 0.00 O ATOM 979 ND2 ASN A 120 7.474 -2.529 4.717 1.00 0.00 N ATOM 0 H ASN A 120 8.666 -5.054 3.987 1.00 0.00 H new ATOM 0 HA ASN A 120 10.662 -4.208 5.796 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.662 -4.690 5.976 1.00 0.00 H new ATOM 0 HB3 ASN A 120 8.591 -3.999 7.292 1.00 0.00 H new ATOM 0 HD21 ASN A 120 7.394 -1.633 4.237 1.00 0.00 H new ATOM 0 HD22 ASN A 120 6.782 -3.260 4.551 1.00 0.00 H new ATOM 986 N GLN A 121 10.068 -7.269 6.130 1.00 0.00 N ATOM 987 CA GLN A 121 10.657 -8.475 6.711 1.00 0.00 C ATOM 988 C GLN A 121 12.200 -8.468 6.630 1.00 0.00 C ATOM 989 O GLN A 121 12.864 -8.767 7.618 1.00 0.00 O ATOM 990 CB GLN A 121 10.027 -9.689 6.013 1.00 0.00 C ATOM 991 CG GLN A 121 9.984 -10.973 6.848 1.00 0.00 C ATOM 992 CD GLN A 121 9.000 -11.955 6.224 1.00 0.00 C ATOM 993 OE1 GLN A 121 7.849 -12.032 6.632 1.00 0.00 O ATOM 994 NE2 GLN A 121 9.406 -12.675 5.193 1.00 0.00 N ATOM 0 H GLN A 121 9.557 -7.456 5.267 1.00 0.00 H new ATOM 0 HA GLN A 121 10.438 -8.520 7.778 1.00 0.00 H new ATOM 0 HB2 GLN A 121 9.009 -9.431 5.720 1.00 0.00 H new ATOM 0 HB3 GLN A 121 10.582 -9.889 5.096 1.00 0.00 H new ATOM 0 HG2 GLN A 121 10.977 -11.420 6.898 1.00 0.00 H new ATOM 0 HG3 GLN A 121 9.686 -10.744 7.871 1.00 0.00 H new ATOM 0 HE21 GLN A 121 10.369 -12.599 4.865 1.00 0.00 H new ATOM 0 HE22 GLN A 121 8.756 -13.307 4.725 1.00 0.00 H new ATOM 1003 N LYS A 122 12.780 -8.088 5.484 1.00 0.00 N ATOM 1004 CA LYS A 122 14.227 -7.977 5.296 1.00 0.00 C ATOM 1005 C LYS A 122 14.851 -6.921 6.229 1.00 0.00 C ATOM 1006 O LYS A 122 14.310 -5.823 6.372 1.00 0.00 O ATOM 1007 CB LYS A 122 14.525 -7.638 3.827 1.00 0.00 C ATOM 1008 CG LYS A 122 14.065 -8.744 2.867 1.00 0.00 C ATOM 1009 CD LYS A 122 14.556 -8.523 1.424 1.00 0.00 C ATOM 1010 CE LYS A 122 13.680 -7.574 0.588 1.00 0.00 C ATOM 1011 NZ LYS A 122 13.900 -6.148 0.908 1.00 0.00 N ATOM 0 H LYS A 122 12.246 -7.846 4.650 1.00 0.00 H new ATOM 0 HA LYS A 122 14.678 -8.936 5.552 1.00 0.00 H new ATOM 0 HB2 LYS A 122 14.029 -6.703 3.565 1.00 0.00 H new ATOM 0 HB3 LYS A 122 15.596 -7.476 3.704 1.00 0.00 H new ATOM 0 HG2 LYS A 122 14.430 -9.706 3.227 1.00 0.00 H new ATOM 0 HG3 LYS A 122 12.976 -8.794 2.872 1.00 0.00 H new ATOM 0 HD2 LYS A 122 15.571 -8.126 1.456 1.00 0.00 H new ATOM 0 HD3 LYS A 122 14.607 -9.488 0.920 1.00 0.00 H new ATOM 0 HE2 LYS A 122 13.884 -7.738 -0.470 1.00 0.00 H new ATOM 0 HE3 LYS A 122 12.631 -7.819 0.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 13.443 -5.556 0.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 13.492 -5.934 1.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 14.921 -5.949 0.923 1.00 0.00 H new ATOM 1025 N LYS A 123 15.984 -7.246 6.858 1.00 0.00 N ATOM 1026 CA LYS A 123 16.642 -6.463 7.912 1.00 0.00 C ATOM 1027 C LYS A 123 17.984 -5.878 7.428 1.00 0.00 C ATOM 1028 O LYS A 123 18.831 -6.622 6.940 1.00 0.00 O ATOM 1029 CB LYS A 123 16.834 -7.427 9.101 1.00 0.00 C ATOM 1030 CG LYS A 123 17.169 -6.768 10.450 1.00 0.00 C ATOM 1031 CD LYS A 123 18.669 -6.481 10.615 1.00 0.00 C ATOM 1032 CE LYS A 123 18.942 -5.608 11.852 1.00 0.00 C ATOM 1033 NZ LYS A 123 18.628 -4.185 11.583 1.00 0.00 N ATOM 0 H LYS A 123 16.493 -8.102 6.637 1.00 0.00 H new ATOM 0 HA LYS A 123 16.038 -5.603 8.200 1.00 0.00 H new ATOM 0 HB2 LYS A 123 15.922 -8.012 9.221 1.00 0.00 H new ATOM 0 HB3 LYS A 123 17.632 -8.127 8.852 1.00 0.00 H new ATOM 0 HG2 LYS A 123 16.613 -5.835 10.542 1.00 0.00 H new ATOM 0 HG3 LYS A 123 16.837 -7.418 11.259 1.00 0.00 H new ATOM 0 HD2 LYS A 123 19.213 -7.421 10.704 1.00 0.00 H new ATOM 0 HD3 LYS A 123 19.045 -5.979 9.724 1.00 0.00 H new ATOM 0 HE2 LYS A 123 18.343 -5.963 12.690 1.00 0.00 H new ATOM 0 HE3 LYS A 123 19.988 -5.704 12.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 18.541 -3.672 12.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 19.391 -3.762 11.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 17.732 -4.120 11.060 1.00 0.00 H new ATOM 1047 N LEU A 124 18.233 -4.576 7.608 1.00 0.00 N ATOM 1048 CA LEU A 124 19.565 -4.005 7.356 1.00 0.00 C ATOM 1049 C LEU A 124 20.510 -4.381 8.501 1.00 0.00 C ATOM 1050 O LEU A 124 20.445 -3.828 9.604 1.00 0.00 O ATOM 1051 CB LEU A 124 19.483 -2.488 7.143 1.00 0.00 C ATOM 1052 CG LEU A 124 20.832 -1.748 7.257 1.00 0.00 C ATOM 1053 CD1 LEU A 124 21.999 -2.341 6.476 1.00 0.00 C ATOM 1054 CD2 LEU A 124 20.687 -0.311 6.779 1.00 0.00 C ATOM 0 H LEU A 124 17.537 -3.901 7.925 1.00 0.00 H new ATOM 0 HA LEU A 124 19.969 -4.425 6.435 1.00 0.00 H new ATOM 0 HB2 LEU A 124 19.060 -2.295 6.157 1.00 0.00 H new ATOM 0 HB3 LEU A 124 18.791 -2.069 7.874 1.00 0.00 H new ATOM 0 HG LEU A 124 21.072 -1.837 8.316 1.00 0.00 H new ATOM 0 HD11 LEU A 124 22.890 -1.734 6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 124 22.187 -3.358 6.819 1.00 0.00 H new ATOM 0 HD13 LEU A 124 21.756 -2.356 5.414 1.00 0.00 H new ATOM 0 HD21 LEU A 124 21.646 0.200 6.865 1.00 0.00 H new ATOM 0 HD22 LEU A 124 20.364 -0.305 5.738 1.00 0.00 H new ATOM 0 HD23 LEU A 124 19.946 0.203 7.391 1.00 0.00 H new ATOM 1066 N TYR A 125 21.364 -5.375 8.280 1.00 0.00 N ATOM 1067 CA TYR A 125 22.300 -5.926 9.272 1.00 0.00 C ATOM 1068 C TYR A 125 23.516 -4.999 9.506 1.00 0.00 C ATOM 1069 O TYR A 125 24.654 -5.444 9.625 1.00 0.00 O ATOM 1070 CB TYR A 125 22.678 -7.367 8.870 1.00 0.00 C ATOM 1071 CG TYR A 125 23.193 -7.489 7.450 1.00 0.00 C ATOM 1072 CD1 TYR A 125 24.512 -7.089 7.165 1.00 0.00 C ATOM 1073 CD2 TYR A 125 22.265 -7.587 6.396 1.00 0.00 C ATOM 1074 CE1 TYR A 125 24.786 -6.443 5.952 1.00 0.00 C ATOM 1075 CE2 TYR A 125 22.535 -6.932 5.184 1.00 0.00 C ATOM 1076 CZ TYR A 125 23.763 -6.280 5.008 1.00 0.00 C ATOM 1077 OH TYR A 125 23.992 -5.513 3.915 1.00 0.00 O ATOM 0 H TYR A 125 21.431 -5.840 7.375 1.00 0.00 H new ATOM 0 HA TYR A 125 21.810 -5.976 10.244 1.00 0.00 H new ATOM 0 HB2 TYR A 125 23.439 -7.738 9.556 1.00 0.00 H new ATOM 0 HB3 TYR A 125 21.804 -8.008 8.986 1.00 0.00 H new ATOM 0 HD1 TYR A 125 25.305 -7.278 7.874 1.00 0.00 H new ATOM 0 HD2 TYR A 125 21.357 -8.159 6.518 1.00 0.00 H new ATOM 0 HE1 TYR A 125 25.779 -6.073 5.746 1.00 0.00 H new ATOM 0 HE2 TYR A 125 21.801 -6.931 4.392 1.00 0.00 H new ATOM 0 HH TYR A 125 23.231 -4.912 3.772 1.00 0.00 H new ATOM 1087 N ARG A 126 23.274 -3.691 9.621 1.00 0.00 N ATOM 1088 CA ARG A 126 24.250 -2.631 9.842 1.00 0.00 C ATOM 1089 C ARG A 126 25.261 -2.400 8.700 1.00 0.00 C ATOM 1090 O ARG A 126 25.380 -1.269 8.229 1.00 0.00 O ATOM 1091 CB ARG A 126 24.928 -2.830 11.199 1.00 0.00 C ATOM 1092 CG ARG A 126 25.963 -1.758 11.533 1.00 0.00 C ATOM 1093 CD ARG A 126 25.401 -0.347 11.722 1.00 0.00 C ATOM 1094 NE ARG A 126 25.199 0.369 10.442 1.00 0.00 N ATOM 1095 CZ ARG A 126 25.402 1.668 10.202 1.00 0.00 C ATOM 1096 NH1 ARG A 126 25.769 2.509 11.143 1.00 0.00 N ATOM 1097 NH2 ARG A 126 25.253 2.158 8.988 1.00 0.00 N ATOM 0 H ARG A 126 22.325 -3.324 9.557 1.00 0.00 H new ATOM 0 HA ARG A 126 23.685 -1.699 9.849 1.00 0.00 H new ATOM 0 HB2 ARG A 126 24.165 -2.841 11.978 1.00 0.00 H new ATOM 0 HB3 ARG A 126 25.412 -3.806 11.213 1.00 0.00 H new ATOM 0 HG2 ARG A 126 26.484 -2.050 12.445 1.00 0.00 H new ATOM 0 HG3 ARG A 126 26.706 -1.732 10.736 1.00 0.00 H new ATOM 0 HD2 ARG A 126 24.451 -0.408 12.252 1.00 0.00 H new ATOM 0 HD3 ARG A 126 26.081 0.228 12.351 1.00 0.00 H new ATOM 0 HE ARG A 126 24.868 -0.191 9.656 1.00 0.00 H new ATOM 0 HH11 ARG A 126 25.909 2.177 12.097 1.00 0.00 H new ATOM 0 HH12 ARG A 126 25.914 3.493 10.919 1.00 0.00 H new ATOM 0 HH21 ARG A 126 24.980 1.544 8.220 1.00 0.00 H new ATOM 0 HH22 ARG A 126 25.410 3.151 8.816 1.00 0.00 H new ATOM 1284 N LEU B 68 17.141 14.106 2.649 1.00 0.00 N ATOM 1285 CA LEU B 68 18.290 13.203 2.539 1.00 0.00 C ATOM 1286 C LEU B 68 19.634 13.891 2.877 1.00 0.00 C ATOM 1287 O LEU B 68 20.482 14.130 2.021 1.00 0.00 O ATOM 1288 CB LEU B 68 18.266 12.497 1.167 1.00 0.00 C ATOM 1289 CG LEU B 68 17.560 11.131 1.214 1.00 0.00 C ATOM 1290 CD1 LEU B 68 16.084 11.262 1.599 1.00 0.00 C ATOM 1291 CD2 LEU B 68 17.657 10.473 -0.168 1.00 0.00 C ATOM 0 HA LEU B 68 18.201 12.430 3.302 1.00 0.00 H new ATOM 0 HB2 LEU B 68 17.762 13.137 0.443 1.00 0.00 H new ATOM 0 HB3 LEU B 68 19.289 12.361 0.815 1.00 0.00 H new ATOM 0 HG LEU B 68 18.053 10.523 1.973 1.00 0.00 H new ATOM 0 HD11 LEU B 68 15.624 10.274 1.620 1.00 0.00 H new ATOM 0 HD12 LEU B 68 16.004 11.720 2.585 1.00 0.00 H new ATOM 0 HD13 LEU B 68 15.571 11.885 0.867 1.00 0.00 H new ATOM 0 HD21 LEU B 68 17.159 9.504 -0.145 1.00 0.00 H new ATOM 0 HD22 LEU B 68 17.175 11.111 -0.909 1.00 0.00 H new ATOM 0 HD23 LEU B 68 18.705 10.336 -0.433 1.00 0.00 H new ATOM 1303 N SER B 69 19.839 14.201 4.159 1.00 0.00 N ATOM 1304 CA SER B 69 21.143 14.588 4.695 1.00 0.00 C ATOM 1305 C SER B 69 22.047 13.370 4.977 1.00 0.00 C ATOM 1306 O SER B 69 21.683 12.227 4.708 1.00 0.00 O ATOM 1307 CB SER B 69 20.958 15.504 5.915 1.00 0.00 C ATOM 1308 OG SER B 69 21.006 14.813 7.149 1.00 0.00 O ATOM 0 H SER B 69 19.097 14.190 4.859 1.00 0.00 H new ATOM 0 HA SER B 69 21.675 15.159 3.934 1.00 0.00 H new ATOM 0 HB2 SER B 69 21.733 16.270 5.906 1.00 0.00 H new ATOM 0 HB3 SER B 69 20.001 16.018 5.832 1.00 0.00 H new ATOM 0 HG SER B 69 20.441 14.014 7.099 1.00 0.00 H new ATOM 1314 N ALA B 70 23.262 13.623 5.471 1.00 0.00 N ATOM 1315 CA ALA B 70 24.331 12.630 5.558 1.00 0.00 C ATOM 1316 C ALA B 70 23.926 11.311 6.239 1.00 0.00 C ATOM 1317 O ALA B 70 24.115 10.236 5.678 1.00 0.00 O ATOM 1318 CB ALA B 70 25.538 13.266 6.255 1.00 0.00 C ATOM 0 H ALA B 70 23.533 14.540 5.827 1.00 0.00 H new ATOM 0 HA ALA B 70 24.583 12.341 4.538 1.00 0.00 H new ATOM 0 HB1 ALA B 70 26.344 12.535 6.327 1.00 0.00 H new ATOM 0 HB2 ALA B 70 25.879 14.127 5.679 1.00 0.00 H new ATOM 0 HB3 ALA B 70 25.252 13.589 7.256 1.00 0.00 H new ATOM 1324 N CYS B 71 23.415 11.373 7.470 1.00 0.00 N ATOM 1325 CA CYS B 71 23.125 10.173 8.245 1.00 0.00 C ATOM 1326 C CYS B 71 22.011 9.312 7.628 1.00 0.00 C ATOM 1327 O CYS B 71 22.226 8.119 7.407 1.00 0.00 O ATOM 1328 CB CYS B 71 22.897 10.529 9.717 1.00 0.00 C ATOM 1329 SG CYS B 71 21.447 11.576 9.954 1.00 0.00 S ATOM 0 H CYS B 71 23.194 12.246 7.950 1.00 0.00 H new ATOM 0 HA CYS B 71 24.003 9.528 8.208 1.00 0.00 H new ATOM 0 HB2 CYS B 71 22.779 9.613 10.296 1.00 0.00 H new ATOM 0 HB3 CYS B 71 23.778 11.040 10.105 1.00 0.00 H new ATOM 0 HG CYS B 71 21.146 11.621 11.218 1.00 0.00 H new ATOM 1335 N GLU B 72 20.846 9.874 7.288 1.00 0.00 N ATOM 1336 CA GLU B 72 19.814 9.082 6.633 1.00 0.00 C ATOM 1337 C GLU B 72 20.274 8.552 5.263 1.00 0.00 C ATOM 1338 O GLU B 72 20.010 7.398 4.943 1.00 0.00 O ATOM 1339 CB GLU B 72 18.460 9.809 6.627 1.00 0.00 C ATOM 1340 CG GLU B 72 18.375 11.056 5.731 1.00 0.00 C ATOM 1341 CD GLU B 72 18.754 12.358 6.404 1.00 0.00 C ATOM 1342 OE1 GLU B 72 19.756 12.409 7.141 1.00 0.00 O ATOM 1343 OE2 GLU B 72 18.069 13.361 6.100 1.00 0.00 O ATOM 0 H GLU B 72 20.603 10.851 7.453 1.00 0.00 H new ATOM 0 HA GLU B 72 19.645 8.183 7.226 1.00 0.00 H new ATOM 0 HB2 GLU B 72 17.692 9.104 6.310 1.00 0.00 H new ATOM 0 HB3 GLU B 72 18.222 10.102 7.649 1.00 0.00 H new ATOM 0 HG2 GLU B 72 19.024 10.909 4.868 1.00 0.00 H new ATOM 0 HG3 GLU B 72 17.357 11.144 5.353 1.00 0.00 H new ATOM 1350 N VAL B 73 21.030 9.336 4.481 1.00 0.00 N ATOM 1351 CA VAL B 73 21.592 8.880 3.205 1.00 0.00 C ATOM 1352 C VAL B 73 22.532 7.685 3.401 1.00 0.00 C ATOM 1353 O VAL B 73 22.415 6.670 2.723 1.00 0.00 O ATOM 1354 CB VAL B 73 22.297 10.040 2.484 1.00 0.00 C ATOM 1355 CG1 VAL B 73 23.140 9.568 1.294 1.00 0.00 C ATOM 1356 CG2 VAL B 73 21.243 10.993 1.924 1.00 0.00 C ATOM 0 H VAL B 73 21.267 10.300 4.715 1.00 0.00 H new ATOM 0 HA VAL B 73 20.771 8.539 2.575 1.00 0.00 H new ATOM 0 HB VAL B 73 22.948 10.517 3.217 1.00 0.00 H new ATOM 0 HG11 VAL B 73 23.615 10.427 0.821 1.00 0.00 H new ATOM 0 HG12 VAL B 73 23.906 8.876 1.643 1.00 0.00 H new ATOM 0 HG13 VAL B 73 22.499 9.065 0.571 1.00 0.00 H new ATOM 0 HG21 VAL B 73 21.735 11.819 1.411 1.00 0.00 H new ATOM 0 HG22 VAL B 73 20.605 10.457 1.221 1.00 0.00 H new ATOM 0 HG23 VAL B 73 20.635 11.384 2.740 1.00 0.00 H new ATOM 1366 N ALA B 74 23.458 7.791 4.351 1.00 0.00 N ATOM 1367 CA ALA B 74 24.433 6.737 4.626 1.00 0.00 C ATOM 1368 C ALA B 74 23.741 5.407 4.963 1.00 0.00 C ATOM 1369 O ALA B 74 24.133 4.329 4.515 1.00 0.00 O ATOM 1370 CB ALA B 74 25.346 7.201 5.764 1.00 0.00 C ATOM 0 H ALA B 74 23.554 8.609 4.952 1.00 0.00 H new ATOM 0 HA ALA B 74 25.033 6.554 3.734 1.00 0.00 H new ATOM 0 HB1 ALA B 74 26.080 6.425 5.981 1.00 0.00 H new ATOM 0 HB2 ALA B 74 25.861 8.115 5.468 1.00 0.00 H new ATOM 0 HB3 ALA B 74 24.748 7.394 6.654 1.00 0.00 H new ATOM 1376 N VAL B 75 22.681 5.483 5.767 1.00 0.00 N ATOM 1377 CA VAL B 75 21.892 4.294 6.064 1.00 0.00 C ATOM 1378 C VAL B 75 21.017 3.860 4.861 1.00 0.00 C ATOM 1379 O VAL B 75 20.864 2.665 4.625 1.00 0.00 O ATOM 1380 CB VAL B 75 21.153 4.455 7.403 1.00 0.00 C ATOM 1381 CG1 VAL B 75 20.554 3.117 7.843 1.00 0.00 C ATOM 1382 CG2 VAL B 75 22.153 4.847 8.495 1.00 0.00 C ATOM 0 H VAL B 75 22.355 6.339 6.216 1.00 0.00 H new ATOM 0 HA VAL B 75 22.560 3.445 6.209 1.00 0.00 H new ATOM 0 HB VAL B 75 20.378 5.210 7.268 1.00 0.00 H new ATOM 0 HG11 VAL B 75 20.034 3.246 8.792 1.00 0.00 H new ATOM 0 HG12 VAL B 75 19.850 2.768 7.088 1.00 0.00 H new ATOM 0 HG13 VAL B 75 21.351 2.383 7.963 1.00 0.00 H new ATOM 0 HG21 VAL B 75 21.629 4.961 9.444 1.00 0.00 H new ATOM 0 HG22 VAL B 75 22.911 4.070 8.590 1.00 0.00 H new ATOM 0 HG23 VAL B 75 22.631 5.790 8.229 1.00 0.00 H new ATOM 1392 N LEU B 76 20.475 4.793 4.069 1.00 0.00 N ATOM 1393 CA LEU B 76 19.765 4.520 2.804 1.00 0.00 C ATOM 1394 C LEU B 76 20.602 3.793 1.748 1.00 0.00 C ATOM 1395 O LEU B 76 20.093 2.928 1.036 1.00 0.00 O ATOM 1396 CB LEU B 76 19.123 5.797 2.251 1.00 0.00 C ATOM 1397 CG LEU B 76 17.730 6.024 2.861 1.00 0.00 C ATOM 1398 CD1 LEU B 76 17.342 7.500 2.778 1.00 0.00 C ATOM 1399 CD2 LEU B 76 16.671 5.216 2.102 1.00 0.00 C ATOM 0 H LEU B 76 20.517 5.787 4.292 1.00 0.00 H new ATOM 0 HA LEU B 76 18.974 3.814 3.056 1.00 0.00 H new ATOM 0 HB2 LEU B 76 19.762 6.653 2.468 1.00 0.00 H new ATOM 0 HB3 LEU B 76 19.042 5.727 1.166 1.00 0.00 H new ATOM 0 HG LEU B 76 17.773 5.704 3.902 1.00 0.00 H new ATOM 0 HD11 LEU B 76 16.353 7.641 3.214 1.00 0.00 H new ATOM 0 HD12 LEU B 76 18.070 8.099 3.326 1.00 0.00 H new ATOM 0 HD13 LEU B 76 17.326 7.814 1.734 1.00 0.00 H new ATOM 0 HD21 LEU B 76 15.692 5.390 2.548 1.00 0.00 H new ATOM 0 HD22 LEU B 76 16.654 5.528 1.058 1.00 0.00 H new ATOM 0 HD23 LEU B 76 16.913 4.155 2.159 1.00 0.00 H new ATOM 1411 N ASP B 77 21.895 4.086 1.690 1.00 0.00 N ATOM 1412 CA ASP B 77 22.817 3.290 0.890 1.00 0.00 C ATOM 1413 C ASP B 77 22.791 1.868 1.440 1.00 0.00 C ATOM 1414 O ASP B 77 22.341 0.935 0.782 1.00 0.00 O ATOM 1415 CB ASP B 77 24.227 3.906 0.949 1.00 0.00 C ATOM 1416 CG ASP B 77 25.287 2.906 0.511 1.00 0.00 C ATOM 1417 OD1 ASP B 77 25.301 2.559 -0.688 1.00 0.00 O ATOM 1418 OD2 ASP B 77 26.042 2.457 1.400 1.00 0.00 O ATOM 0 H ASP B 77 22.328 4.866 2.185 1.00 0.00 H new ATOM 0 HA ASP B 77 22.523 3.275 -0.159 1.00 0.00 H new ATOM 0 HB2 ASP B 77 24.268 4.787 0.308 1.00 0.00 H new ATOM 0 HB3 ASP B 77 24.438 4.241 1.965 1.00 0.00 H new ATOM 1423 N LEU B 78 23.182 1.713 2.703 1.00 0.00 N ATOM 1424 CA LEU B 78 23.266 0.397 3.301 1.00 0.00 C ATOM 1425 C LEU B 78 21.943 -0.387 3.226 1.00 0.00 C ATOM 1426 O LEU B 78 21.972 -1.610 3.083 1.00 0.00 O ATOM 1427 CB LEU B 78 23.858 0.528 4.704 1.00 0.00 C ATOM 1428 CG LEU B 78 25.342 0.924 4.612 1.00 0.00 C ATOM 1429 CD1 LEU B 78 25.809 1.567 5.913 1.00 0.00 C ATOM 1430 CD2 LEU B 78 26.246 -0.276 4.298 1.00 0.00 C ATOM 0 H LEU B 78 23.442 2.481 3.322 1.00 0.00 H new ATOM 0 HA LEU B 78 23.945 -0.225 2.717 1.00 0.00 H new ATOM 0 HB2 LEU B 78 23.307 1.278 5.272 1.00 0.00 H new ATOM 0 HB3 LEU B 78 23.757 -0.416 5.240 1.00 0.00 H new ATOM 0 HG LEU B 78 25.422 1.638 3.792 1.00 0.00 H new ATOM 0 HD11 LEU B 78 26.861 1.840 5.827 1.00 0.00 H new ATOM 0 HD12 LEU B 78 25.217 2.461 6.110 1.00 0.00 H new ATOM 0 HD13 LEU B 78 25.683 0.861 6.734 1.00 0.00 H new ATOM 0 HD21 LEU B 78 27.283 0.054 4.243 1.00 0.00 H new ATOM 0 HD22 LEU B 78 26.144 -1.024 5.085 1.00 0.00 H new ATOM 0 HD23 LEU B 78 25.953 -0.712 3.343 1.00 0.00 H new ATOM 1442 N TYR B 79 20.783 0.276 3.263 1.00 0.00 N ATOM 1443 CA TYR B 79 19.508 -0.360 2.958 1.00 0.00 C ATOM 1444 C TYR B 79 19.512 -1.003 1.567 1.00 0.00 C ATOM 1445 O TYR B 79 19.264 -2.201 1.454 1.00 0.00 O ATOM 1446 CB TYR B 79 18.347 0.644 3.040 1.00 0.00 C ATOM 1447 CG TYR B 79 17.839 0.925 4.432 1.00 0.00 C ATOM 1448 CD1 TYR B 79 17.511 -0.144 5.284 1.00 0.00 C ATOM 1449 CD2 TYR B 79 17.716 2.238 4.906 1.00 0.00 C ATOM 1450 CE1 TYR B 79 17.311 0.101 6.649 1.00 0.00 C ATOM 1451 CE2 TYR B 79 17.671 2.467 6.281 1.00 0.00 C ATOM 1452 CZ TYR B 79 17.574 1.381 7.150 1.00 0.00 C ATOM 1453 OH TYR B 79 17.585 1.565 8.490 1.00 0.00 O ATOM 0 H TYR B 79 20.707 1.264 3.505 1.00 0.00 H new ATOM 0 HA TYR B 79 19.366 -1.139 3.707 1.00 0.00 H new ATOM 0 HB2 TYR B 79 18.668 1.584 2.591 1.00 0.00 H new ATOM 0 HB3 TYR B 79 17.520 0.269 2.437 1.00 0.00 H new ATOM 0 HD1 TYR B 79 17.414 -1.145 4.890 1.00 0.00 H new ATOM 0 HD2 TYR B 79 17.657 3.064 4.213 1.00 0.00 H new ATOM 0 HE1 TYR B 79 16.960 -0.684 7.303 1.00 0.00 H new ATOM 0 HE2 TYR B 79 17.711 3.474 6.668 1.00 0.00 H new ATOM 0 HH TYR B 79 18.460 1.308 8.848 1.00 0.00 H new ATOM 1463 N GLU B 80 19.786 -0.246 0.507 1.00 0.00 N ATOM 1464 CA GLU B 80 19.718 -0.794 -0.844 1.00 0.00 C ATOM 1465 C GLU B 80 20.894 -1.742 -1.161 1.00 0.00 C ATOM 1466 O GLU B 80 20.718 -2.747 -1.851 1.00 0.00 O ATOM 1467 CB GLU B 80 19.473 0.339 -1.850 1.00 0.00 C ATOM 1468 CG GLU B 80 18.085 1.005 -1.645 1.00 0.00 C ATOM 1469 CD GLU B 80 16.846 0.213 -2.087 1.00 0.00 C ATOM 1470 OE1 GLU B 80 16.850 -1.033 -1.982 1.00 0.00 O ATOM 1471 OE2 GLU B 80 15.880 0.886 -2.511 1.00 0.00 O ATOM 0 H GLU B 80 20.054 0.737 0.556 1.00 0.00 H new ATOM 0 HA GLU B 80 18.857 -1.457 -0.930 1.00 0.00 H new ATOM 0 HB2 GLU B 80 20.255 1.091 -1.747 1.00 0.00 H new ATOM 0 HB3 GLU B 80 19.541 -0.055 -2.864 1.00 0.00 H new ATOM 0 HG2 GLU B 80 17.976 1.236 -0.585 1.00 0.00 H new ATOM 0 HG3 GLU B 80 18.085 1.955 -2.180 1.00 0.00 H new ATOM 1478 N GLN B 81 22.055 -1.550 -0.531 1.00 0.00 N ATOM 1479 CA GLN B 81 23.093 -2.587 -0.435 1.00 0.00 C ATOM 1480 C GLN B 81 22.555 -3.864 0.257 1.00 0.00 C ATOM 1481 O GLN B 81 22.869 -4.983 -0.137 1.00 0.00 O ATOM 1482 CB GLN B 81 24.330 -2.054 0.307 1.00 0.00 C ATOM 1483 CG GLN B 81 24.924 -0.737 -0.240 1.00 0.00 C ATOM 1484 CD GLN B 81 25.614 -0.836 -1.589 1.00 0.00 C ATOM 1485 OE1 GLN B 81 25.875 -1.913 -2.112 1.00 0.00 O ATOM 1486 NE2 GLN B 81 25.943 0.302 -2.169 1.00 0.00 N ATOM 0 H GLN B 81 22.305 -0.674 -0.073 1.00 0.00 H new ATOM 0 HA GLN B 81 23.386 -2.854 -1.450 1.00 0.00 H new ATOM 0 HB2 GLN B 81 24.066 -1.905 1.354 1.00 0.00 H new ATOM 0 HB3 GLN B 81 25.105 -2.820 0.279 1.00 0.00 H new ATOM 0 HG2 GLN B 81 24.122 -0.002 -0.316 1.00 0.00 H new ATOM 0 HG3 GLN B 81 25.640 -0.354 0.487 1.00 0.00 H new ATOM 0 HE21 GLN B 81 25.717 1.188 -1.718 1.00 0.00 H new ATOM 0 HE22 GLN B 81 26.423 0.296 -3.069 1.00 0.00 H new ATOM 1495 N SER B 82 21.703 -3.711 1.281 1.00 0.00 N ATOM 1496 CA SER B 82 20.925 -4.805 1.885 1.00 0.00 C ATOM 1497 C SER B 82 19.689 -5.211 1.051 1.00 0.00 C ATOM 1498 O SER B 82 18.878 -6.018 1.506 1.00 0.00 O ATOM 1499 CB SER B 82 20.504 -4.463 3.319 1.00 0.00 C ATOM 1500 OG SER B 82 21.652 -4.168 4.085 1.00 0.00 O ATOM 0 H SER B 82 21.531 -2.807 1.722 1.00 0.00 H new ATOM 0 HA SER B 82 21.593 -5.666 1.903 1.00 0.00 H new ATOM 0 HB2 SER B 82 19.825 -3.610 3.317 1.00 0.00 H new ATOM 0 HB3 SER B 82 19.963 -5.300 3.761 1.00 0.00 H new ATOM 0 HG SER B 82 22.041 -3.322 3.779 1.00 0.00 H new ATOM 1506 N ASN B 83 19.510 -4.620 -0.134 1.00 0.00 N ATOM 1507 CA ASN B 83 18.329 -4.713 -0.992 1.00 0.00 C ATOM 1508 C ASN B 83 17.023 -4.475 -0.215 1.00 0.00 C ATOM 1509 O ASN B 83 16.135 -5.329 -0.202 1.00 0.00 O ATOM 1510 CB ASN B 83 18.322 -6.052 -1.747 1.00 0.00 C ATOM 1511 CG ASN B 83 19.577 -6.355 -2.560 1.00 0.00 C ATOM 1512 OD1 ASN B 83 19.822 -7.507 -2.895 1.00 0.00 O ATOM 1513 ND2 ASN B 83 20.391 -5.377 -2.917 1.00 0.00 N ATOM 0 H ASN B 83 20.232 -4.027 -0.544 1.00 0.00 H new ATOM 0 HA ASN B 83 18.386 -3.912 -1.729 1.00 0.00 H new ATOM 0 HB2 ASN B 83 18.175 -6.855 -1.025 1.00 0.00 H new ATOM 0 HB3 ASN B 83 17.463 -6.066 -2.418 1.00 0.00 H new ATOM 0 HD21 ASN B 83 21.222 -5.582 -3.471 1.00 0.00 H new ATOM 0 HD22 ASN B 83 20.188 -4.417 -2.638 1.00 0.00 H new ATOM 1520 N ILE B 84 16.915 -3.335 0.469 1.00 0.00 N ATOM 1521 CA ILE B 84 15.764 -2.912 1.268 1.00 0.00 C ATOM 1522 C ILE B 84 15.151 -1.613 0.724 1.00 0.00 C ATOM 1523 O ILE B 84 15.559 -0.510 1.079 1.00 0.00 O ATOM 1524 CB ILE B 84 16.165 -2.834 2.754 1.00 0.00 C ATOM 1525 CG1 ILE B 84 16.215 -4.272 3.293 1.00 0.00 C ATOM 1526 CG2 ILE B 84 15.196 -1.977 3.585 1.00 0.00 C ATOM 1527 CD1 ILE B 84 16.901 -4.383 4.651 1.00 0.00 C ATOM 0 H ILE B 84 17.667 -2.646 0.481 1.00 0.00 H new ATOM 0 HA ILE B 84 14.971 -3.656 1.189 1.00 0.00 H new ATOM 0 HB ILE B 84 17.137 -2.348 2.837 1.00 0.00 H new ATOM 0 HG12 ILE B 84 15.199 -4.658 3.374 1.00 0.00 H new ATOM 0 HG13 ILE B 84 16.739 -4.904 2.576 1.00 0.00 H new ATOM 0 HG21 ILE B 84 15.527 -1.957 4.623 1.00 0.00 H new ATOM 0 HG22 ILE B 84 15.178 -0.961 3.190 1.00 0.00 H new ATOM 0 HG23 ILE B 84 14.195 -2.404 3.531 1.00 0.00 H new ATOM 0 HD11 ILE B 84 16.902 -5.424 4.974 1.00 0.00 H new ATOM 0 HD12 ILE B 84 17.928 -4.027 4.570 1.00 0.00 H new ATOM 0 HD13 ILE B 84 16.364 -3.777 5.381 1.00 0.00 H new ATOM 1539 N ARG B 85 14.074 -1.746 -0.048 1.00 0.00 N ATOM 1540 CA ARG B 85 13.350 -0.592 -0.559 1.00 0.00 C ATOM 1541 C ARG B 85 12.597 0.100 0.589 1.00 0.00 C ATOM 1542 O ARG B 85 11.680 -0.465 1.183 1.00 0.00 O ATOM 1543 CB ARG B 85 12.424 -1.033 -1.701 1.00 0.00 C ATOM 1544 CG ARG B 85 12.173 0.061 -2.752 1.00 0.00 C ATOM 1545 CD ARG B 85 11.506 1.332 -2.201 1.00 0.00 C ATOM 1546 NE ARG B 85 10.620 1.940 -3.220 1.00 0.00 N ATOM 1547 CZ ARG B 85 9.636 2.817 -2.989 1.00 0.00 C ATOM 1548 NH1 ARG B 85 9.551 3.478 -1.855 1.00 0.00 N ATOM 1549 NH2 ARG B 85 8.689 3.039 -3.879 1.00 0.00 N ATOM 0 H ARG B 85 13.686 -2.645 -0.332 1.00 0.00 H new ATOM 0 HA ARG B 85 14.043 0.142 -0.971 1.00 0.00 H new ATOM 0 HB2 ARG B 85 12.858 -1.904 -2.193 1.00 0.00 H new ATOM 0 HB3 ARG B 85 11.468 -1.347 -1.281 1.00 0.00 H new ATOM 0 HG2 ARG B 85 13.124 0.334 -3.209 1.00 0.00 H new ATOM 0 HG3 ARG B 85 11.546 -0.350 -3.543 1.00 0.00 H new ATOM 0 HD2 ARG B 85 10.929 1.089 -1.309 1.00 0.00 H new ATOM 0 HD3 ARG B 85 12.270 2.049 -1.901 1.00 0.00 H new ATOM 0 HE ARG B 85 10.774 1.664 -4.190 1.00 0.00 H new ATOM 0 HH11 ARG B 85 10.246 3.328 -1.124 1.00 0.00 H new ATOM 0 HH12 ARG B 85 8.790 4.141 -1.707 1.00 0.00 H new ATOM 0 HH21 ARG B 85 8.696 2.537 -4.767 1.00 0.00 H new ATOM 0 HH22 ARG B 85 7.949 3.713 -3.680 1.00 0.00 H new ATOM 1563 N ILE B 86 12.974 1.328 0.927 1.00 0.00 N ATOM 1564 CA ILE B 86 12.306 2.125 1.957 1.00 0.00 C ATOM 1565 C ILE B 86 11.003 2.758 1.413 1.00 0.00 C ATOM 1566 O ILE B 86 11.055 3.456 0.398 1.00 0.00 O ATOM 1567 CB ILE B 86 13.319 3.146 2.503 1.00 0.00 C ATOM 1568 CG1 ILE B 86 14.542 2.472 3.159 1.00 0.00 C ATOM 1569 CG2 ILE B 86 12.652 4.060 3.526 1.00 0.00 C ATOM 1570 CD1 ILE B 86 14.208 1.585 4.365 1.00 0.00 C ATOM 0 H ILE B 86 13.762 1.807 0.490 1.00 0.00 H new ATOM 0 HA ILE B 86 11.982 1.498 2.788 1.00 0.00 H new ATOM 0 HB ILE B 86 13.669 3.725 1.648 1.00 0.00 H new ATOM 0 HG12 ILE B 86 15.053 1.868 2.410 1.00 0.00 H new ATOM 0 HG13 ILE B 86 15.241 3.246 3.476 1.00 0.00 H new ATOM 0 HG21 ILE B 86 13.381 4.777 3.903 1.00 0.00 H new ATOM 0 HG22 ILE B 86 11.828 4.595 3.053 1.00 0.00 H new ATOM 0 HG23 ILE B 86 12.269 3.462 4.353 1.00 0.00 H new ATOM 0 HD11 ILE B 86 15.126 1.152 4.763 1.00 0.00 H new ATOM 0 HD12 ILE B 86 13.726 2.186 5.136 1.00 0.00 H new ATOM 0 HD13 ILE B 86 13.535 0.786 4.054 1.00 0.00 H new ATOM 1582 N PRO B 87 9.824 2.504 2.020 1.00 0.00 N ATOM 1583 CA PRO B 87 8.587 3.221 1.697 1.00 0.00 C ATOM 1584 C PRO B 87 8.756 4.743 1.804 1.00 0.00 C ATOM 1585 O PRO B 87 9.407 5.221 2.727 1.00 0.00 O ATOM 1586 CB PRO B 87 7.545 2.736 2.713 1.00 0.00 C ATOM 1587 CG PRO B 87 8.060 1.371 3.161 1.00 0.00 C ATOM 1588 CD PRO B 87 9.577 1.513 3.059 1.00 0.00 C ATOM 0 HA PRO B 87 8.290 3.020 0.668 1.00 0.00 H new ATOM 0 HB2 PRO B 87 7.459 3.424 3.554 1.00 0.00 H new ATOM 0 HB3 PRO B 87 6.556 2.659 2.262 1.00 0.00 H new ATOM 0 HG2 PRO B 87 7.746 1.137 4.178 1.00 0.00 H new ATOM 0 HG3 PRO B 87 7.688 0.571 2.521 1.00 0.00 H new ATOM 0 HD2 PRO B 87 10.003 1.832 4.010 1.00 0.00 H new ATOM 0 HD3 PRO B 87 10.041 0.560 2.806 1.00 0.00 H new ATOM 1596 N SER B 88 8.145 5.506 0.899 1.00 0.00 N ATOM 1597 CA SER B 88 8.143 6.972 0.928 1.00 0.00 C ATOM 1598 C SER B 88 7.777 7.532 2.312 1.00 0.00 C ATOM 1599 O SER B 88 8.506 8.358 2.854 1.00 0.00 O ATOM 1600 CB SER B 88 7.178 7.478 -0.149 1.00 0.00 C ATOM 1601 OG SER B 88 5.881 6.969 0.100 1.00 0.00 O ATOM 0 H SER B 88 7.628 5.118 0.110 1.00 0.00 H new ATOM 0 HA SER B 88 9.152 7.328 0.721 1.00 0.00 H new ATOM 0 HB2 SER B 88 7.158 8.568 -0.151 1.00 0.00 H new ATOM 0 HB3 SER B 88 7.520 7.164 -1.135 1.00 0.00 H new ATOM 0 HG SER B 88 5.878 5.999 -0.039 1.00 0.00 H new ATOM 1607 N ASP B 89 6.698 7.039 2.923 1.00 0.00 N ATOM 1608 CA ASP B 89 6.313 7.326 4.303 1.00 0.00 C ATOM 1609 C ASP B 89 7.491 7.298 5.299 1.00 0.00 C ATOM 1610 O ASP B 89 7.691 8.228 6.076 1.00 0.00 O ATOM 1611 CB ASP B 89 5.241 6.307 4.709 1.00 0.00 C ATOM 1612 CG ASP B 89 3.856 6.787 4.346 1.00 0.00 C ATOM 1613 OD1 ASP B 89 3.475 6.619 3.175 1.00 0.00 O ATOM 1614 OD2 ASP B 89 3.170 7.245 5.283 1.00 0.00 O ATOM 0 H ASP B 89 6.048 6.408 2.454 1.00 0.00 H new ATOM 0 HA ASP B 89 5.932 8.347 4.343 1.00 0.00 H new ATOM 0 HB2 ASP B 89 5.438 5.355 4.217 1.00 0.00 H new ATOM 0 HB3 ASP B 89 5.296 6.128 5.783 1.00 0.00 H new ATOM 1619 N ILE B 90 8.304 6.237 5.279 1.00 0.00 N ATOM 1620 CA ILE B 90 9.505 6.197 6.119 1.00 0.00 C ATOM 1621 C ILE B 90 10.413 7.392 5.821 1.00 0.00 C ATOM 1622 O ILE B 90 10.899 8.047 6.730 1.00 0.00 O ATOM 1623 CB ILE B 90 10.295 4.894 5.913 1.00 0.00 C ATOM 1624 CG1 ILE B 90 9.538 3.626 6.326 1.00 0.00 C ATOM 1625 CG2 ILE B 90 11.659 4.952 6.623 1.00 0.00 C ATOM 1626 CD1 ILE B 90 9.318 3.531 7.834 1.00 0.00 C ATOM 0 H ILE B 90 8.157 5.409 4.702 1.00 0.00 H new ATOM 0 HA ILE B 90 9.174 6.242 7.156 1.00 0.00 H new ATOM 0 HB ILE B 90 10.446 4.822 4.836 1.00 0.00 H new ATOM 0 HG12 ILE B 90 8.572 3.604 5.821 1.00 0.00 H new ATOM 0 HG13 ILE B 90 10.094 2.751 5.989 1.00 0.00 H new ATOM 0 HG21 ILE B 90 12.194 4.017 6.459 1.00 0.00 H new ATOM 0 HG22 ILE B 90 12.243 5.780 6.221 1.00 0.00 H new ATOM 0 HG23 ILE B 90 11.507 5.101 7.692 1.00 0.00 H new ATOM 0 HD11 ILE B 90 8.777 2.613 8.066 1.00 0.00 H new ATOM 0 HD12 ILE B 90 10.282 3.523 8.343 1.00 0.00 H new ATOM 0 HD13 ILE B 90 8.737 4.389 8.172 1.00 0.00 H new ATOM 1638 N ILE B 91 10.674 7.671 4.547 1.00 0.00 N ATOM 1639 CA ILE B 91 11.551 8.770 4.147 1.00 0.00 C ATOM 1640 C ILE B 91 11.004 10.114 4.661 1.00 0.00 C ATOM 1641 O ILE B 91 11.743 10.914 5.228 1.00 0.00 O ATOM 1642 CB ILE B 91 11.754 8.741 2.615 1.00 0.00 C ATOM 1643 CG1 ILE B 91 12.261 7.348 2.190 1.00 0.00 C ATOM 1644 CG2 ILE B 91 12.727 9.836 2.179 1.00 0.00 C ATOM 1645 CD1 ILE B 91 12.609 7.187 0.709 1.00 0.00 C ATOM 0 H ILE B 91 10.286 7.144 3.764 1.00 0.00 H new ATOM 0 HA ILE B 91 12.533 8.648 4.604 1.00 0.00 H new ATOM 0 HB ILE B 91 10.800 8.933 2.123 1.00 0.00 H new ATOM 0 HG12 ILE B 91 13.146 7.110 2.779 1.00 0.00 H new ATOM 0 HG13 ILE B 91 11.499 6.612 2.447 1.00 0.00 H new ATOM 0 HG21 ILE B 91 12.856 9.798 1.097 1.00 0.00 H new ATOM 0 HG22 ILE B 91 12.329 10.810 2.463 1.00 0.00 H new ATOM 0 HG23 ILE B 91 13.690 9.681 2.665 1.00 0.00 H new ATOM 0 HD11 ILE B 91 12.954 6.170 0.525 1.00 0.00 H new ATOM 0 HD12 ILE B 91 11.725 7.386 0.104 1.00 0.00 H new ATOM 0 HD13 ILE B 91 13.397 7.891 0.442 1.00 0.00 H new ATOM 1657 N GLU B 92 9.699 10.337 4.507 1.00 0.00 N ATOM 1658 CA GLU B 92 8.974 11.487 5.048 1.00 0.00 C ATOM 1659 C GLU B 92 9.173 11.643 6.574 1.00 0.00 C ATOM 1660 O GLU B 92 9.734 12.640 7.038 1.00 0.00 O ATOM 1661 CB GLU B 92 7.502 11.328 4.622 1.00 0.00 C ATOM 1662 CG GLU B 92 6.513 12.308 5.276 1.00 0.00 C ATOM 1663 CD GLU B 92 6.880 13.772 5.172 1.00 0.00 C ATOM 1664 OE1 GLU B 92 7.584 14.181 4.223 1.00 0.00 O ATOM 1665 OE2 GLU B 92 6.523 14.520 6.107 1.00 0.00 O ATOM 0 H GLU B 92 9.097 9.701 3.985 1.00 0.00 H new ATOM 0 HA GLU B 92 9.366 12.421 4.645 1.00 0.00 H new ATOM 0 HB2 GLU B 92 7.441 11.445 3.540 1.00 0.00 H new ATOM 0 HB3 GLU B 92 7.184 10.311 4.851 1.00 0.00 H new ATOM 0 HG2 GLU B 92 5.533 12.164 4.822 1.00 0.00 H new ATOM 0 HG3 GLU B 92 6.417 12.050 6.331 1.00 0.00 H new ATOM 1672 N ASP B 93 8.768 10.631 7.347 1.00 0.00 N ATOM 1673 CA ASP B 93 8.891 10.575 8.801 1.00 0.00 C ATOM 1674 C ASP B 93 10.349 10.821 9.226 1.00 0.00 C ATOM 1675 O ASP B 93 10.678 11.723 9.996 1.00 0.00 O ATOM 1676 CB ASP B 93 8.352 9.196 9.227 1.00 0.00 C ATOM 1677 CG ASP B 93 8.488 8.891 10.704 1.00 0.00 C ATOM 1678 OD1 ASP B 93 8.841 9.803 11.477 1.00 0.00 O ATOM 1679 OD2 ASP B 93 8.265 7.720 11.070 1.00 0.00 O ATOM 0 H ASP B 93 8.328 9.797 6.958 1.00 0.00 H new ATOM 0 HA ASP B 93 8.315 11.356 9.298 1.00 0.00 H new ATOM 0 HB2 ASP B 93 7.299 9.132 8.952 1.00 0.00 H new ATOM 0 HB3 ASP B 93 8.876 8.426 8.661 1.00 0.00 H new ATOM 1684 N LEU B 94 11.261 10.048 8.651 1.00 0.00 N ATOM 1685 CA LEU B 94 12.674 10.125 9.002 1.00 0.00 C ATOM 1686 C LEU B 94 13.282 11.500 8.691 1.00 0.00 C ATOM 1687 O LEU B 94 13.948 12.085 9.538 1.00 0.00 O ATOM 1688 CB LEU B 94 13.458 8.977 8.355 1.00 0.00 C ATOM 1689 CG LEU B 94 14.533 8.385 9.270 1.00 0.00 C ATOM 1690 CD1 LEU B 94 15.526 9.406 9.800 1.00 0.00 C ATOM 1691 CD2 LEU B 94 13.916 7.627 10.441 1.00 0.00 C ATOM 0 H LEU B 94 11.045 9.355 7.934 1.00 0.00 H new ATOM 0 HA LEU B 94 12.751 10.007 10.083 1.00 0.00 H new ATOM 0 HB2 LEU B 94 12.762 8.189 8.066 1.00 0.00 H new ATOM 0 HB3 LEU B 94 13.928 9.338 7.440 1.00 0.00 H new ATOM 0 HG LEU B 94 15.089 7.696 8.634 1.00 0.00 H new ATOM 0 HD11 LEU B 94 16.254 8.907 10.440 1.00 0.00 H new ATOM 0 HD12 LEU B 94 16.041 9.880 8.965 1.00 0.00 H new ATOM 0 HD13 LEU B 94 14.996 10.164 10.377 1.00 0.00 H new ATOM 0 HD21 LEU B 94 14.708 7.220 11.069 1.00 0.00 H new ATOM 0 HD22 LEU B 94 13.299 8.306 11.029 1.00 0.00 H new ATOM 0 HD23 LEU B 94 13.299 6.812 10.062 1.00 0.00 H new ATOM 1703 N VAL B 95 13.022 12.072 7.517 1.00 0.00 N ATOM 1704 CA VAL B 95 13.385 13.467 7.242 1.00 0.00 C ATOM 1705 C VAL B 95 12.746 14.457 8.246 1.00 0.00 C ATOM 1706 O VAL B 95 13.352 15.481 8.555 1.00 0.00 O ATOM 1707 CB VAL B 95 13.108 13.802 5.763 1.00 0.00 C ATOM 1708 CG1 VAL B 95 13.275 15.295 5.454 1.00 0.00 C ATOM 1709 CG2 VAL B 95 14.086 13.033 4.860 1.00 0.00 C ATOM 0 H VAL B 95 12.563 11.595 6.741 1.00 0.00 H new ATOM 0 HA VAL B 95 14.457 13.587 7.400 1.00 0.00 H new ATOM 0 HB VAL B 95 12.074 13.516 5.572 1.00 0.00 H new ATOM 0 HG11 VAL B 95 13.068 15.474 4.399 1.00 0.00 H new ATOM 0 HG12 VAL B 95 12.580 15.873 6.063 1.00 0.00 H new ATOM 0 HG13 VAL B 95 14.296 15.601 5.680 1.00 0.00 H new ATOM 0 HG21 VAL B 95 13.884 13.275 3.816 1.00 0.00 H new ATOM 0 HG22 VAL B 95 15.109 13.317 5.107 1.00 0.00 H new ATOM 0 HG23 VAL B 95 13.959 11.962 5.015 1.00 0.00 H new ATOM 1719 N ASN B 96 11.558 14.166 8.794 1.00 0.00 N ATOM 1720 CA ASN B 96 10.973 14.968 9.878 1.00 0.00 C ATOM 1721 C ASN B 96 11.761 14.867 11.197 1.00 0.00 C ATOM 1722 O ASN B 96 12.133 15.885 11.788 1.00 0.00 O ATOM 1723 CB ASN B 96 9.484 14.646 10.090 1.00 0.00 C ATOM 1724 CG ASN B 96 8.674 14.879 8.829 1.00 0.00 C ATOM 1725 OD1 ASN B 96 9.033 15.714 8.005 1.00 0.00 O ATOM 1726 ND2 ASN B 96 7.569 14.182 8.649 1.00 0.00 N ATOM 0 H ASN B 96 10.981 13.377 8.503 1.00 0.00 H new ATOM 0 HA ASN B 96 11.047 16.006 9.553 1.00 0.00 H new ATOM 0 HB2 ASN B 96 9.377 13.608 10.404 1.00 0.00 H new ATOM 0 HB3 ASN B 96 9.089 15.265 10.896 1.00 0.00 H new ATOM 0 HD21 ASN B 96 7.000 14.334 7.816 1.00 0.00 H new ATOM 0 HD22 ASN B 96 7.283 13.491 9.343 1.00 0.00 H new ATOM 1733 N GLN B 97 12.023 13.652 11.680 1.00 0.00 N ATOM 1734 CA GLN B 97 12.741 13.471 12.946 1.00 0.00 C ATOM 1735 C GLN B 97 14.238 13.819 12.846 1.00 0.00 C ATOM 1736 O GLN B 97 14.819 14.366 13.780 1.00 0.00 O ATOM 1737 CB GLN B 97 12.569 12.041 13.484 1.00 0.00 C ATOM 1738 CG GLN B 97 11.172 11.419 13.344 1.00 0.00 C ATOM 1739 CD GLN B 97 9.994 12.348 13.613 1.00 0.00 C ATOM 1740 OE1 GLN B 97 10.061 13.261 14.428 1.00 0.00 O ATOM 1741 NE2 GLN B 97 8.883 12.132 12.937 1.00 0.00 N ATOM 0 H GLN B 97 11.752 12.783 11.219 1.00 0.00 H new ATOM 0 HA GLN B 97 12.292 14.175 13.647 1.00 0.00 H new ATOM 0 HB2 GLN B 97 13.283 11.396 12.972 1.00 0.00 H new ATOM 0 HB3 GLN B 97 12.839 12.039 14.540 1.00 0.00 H new ATOM 0 HG2 GLN B 97 11.073 11.023 12.333 1.00 0.00 H new ATOM 0 HG3 GLN B 97 11.104 10.572 14.027 1.00 0.00 H new ATOM 0 HE21 GLN B 97 8.837 11.370 12.261 1.00 0.00 H new ATOM 0 HE22 GLN B 97 8.069 12.727 13.090 1.00 0.00 H new ATOM 1750 N ARG B 98 14.857 13.456 11.720 1.00 0.00 N ATOM 1751 CA ARG B 98 16.289 13.471 11.413 1.00 0.00 C ATOM 1752 C ARG B 98 17.185 13.321 12.653 1.00 0.00 C ATOM 1753 O ARG B 98 17.628 14.302 13.255 1.00 0.00 O ATOM 1754 CB ARG B 98 16.627 14.668 10.518 1.00 0.00 C ATOM 1755 CG ARG B 98 18.126 14.710 10.179 1.00 0.00 C ATOM 1756 CD ARG B 98 18.419 15.819 9.169 1.00 0.00 C ATOM 1757 NE ARG B 98 17.890 15.450 7.843 1.00 0.00 N ATOM 1758 CZ ARG B 98 17.235 16.210 6.967 1.00 0.00 C ATOM 1759 NH1 ARG B 98 16.950 17.479 7.185 1.00 0.00 N ATOM 1760 NH2 ARG B 98 16.890 15.693 5.813 1.00 0.00 N ATOM 0 H ARG B 98 14.317 13.112 10.926 1.00 0.00 H new ATOM 0 HA ARG B 98 16.521 12.575 10.838 1.00 0.00 H new ATOM 0 HB2 ARG B 98 16.046 14.611 9.598 1.00 0.00 H new ATOM 0 HB3 ARG B 98 16.340 15.592 11.020 1.00 0.00 H new ATOM 0 HG2 ARG B 98 18.705 14.876 11.087 1.00 0.00 H new ATOM 0 HG3 ARG B 98 18.439 13.748 9.772 1.00 0.00 H new ATOM 0 HD2 ARG B 98 17.967 16.753 9.502 1.00 0.00 H new ATOM 0 HD3 ARG B 98 19.494 15.989 9.106 1.00 0.00 H new ATOM 0 HE ARG B 98 18.047 14.483 7.558 1.00 0.00 H new ATOM 0 HH11 ARG B 98 17.234 17.923 8.058 1.00 0.00 H new ATOM 0 HH12 ARG B 98 16.446 18.017 6.480 1.00 0.00 H new ATOM 0 HH21 ARG B 98 17.124 14.724 5.598 1.00 0.00 H new ATOM 0 HH22 ARG B 98 16.388 16.260 5.130 1.00 0.00 H new ATOM 1774 N LEU B 99 17.412 12.071 13.046 1.00 0.00 N ATOM 1775 CA LEU B 99 18.244 11.706 14.186 1.00 0.00 C ATOM 1776 C LEU B 99 19.733 11.936 13.871 1.00 0.00 C ATOM 1777 O LEU B 99 20.092 12.254 12.738 1.00 0.00 O ATOM 1778 CB LEU B 99 17.890 10.274 14.611 1.00 0.00 C ATOM 1779 CG LEU B 99 16.369 10.009 14.659 1.00 0.00 C ATOM 1780 CD1 LEU B 99 16.097 8.579 15.127 1.00 0.00 C ATOM 1781 CD2 LEU B 99 15.656 10.975 15.613 1.00 0.00 C ATOM 0 H LEU B 99 17.012 11.264 12.568 1.00 0.00 H new ATOM 0 HA LEU B 99 18.044 12.349 15.043 1.00 0.00 H new ATOM 0 HB2 LEU B 99 18.352 9.572 13.917 1.00 0.00 H new ATOM 0 HB3 LEU B 99 18.317 10.078 15.595 1.00 0.00 H new ATOM 0 HG LEU B 99 15.985 10.159 13.650 1.00 0.00 H new ATOM 0 HD11 LEU B 99 15.022 8.404 15.157 1.00 0.00 H new ATOM 0 HD12 LEU B 99 16.560 7.875 14.435 1.00 0.00 H new ATOM 0 HD13 LEU B 99 16.515 8.436 16.123 1.00 0.00 H new ATOM 0 HD21 LEU B 99 14.588 10.758 15.620 1.00 0.00 H new ATOM 0 HD22 LEU B 99 16.057 10.855 16.619 1.00 0.00 H new ATOM 0 HD23 LEU B 99 15.815 12.000 15.279 1.00 0.00 H new ATOM 1793 N GLN B 100 20.610 11.870 14.871 1.00 0.00 N ATOM 1794 CA GLN B 100 22.003 12.282 14.708 1.00 0.00 C ATOM 1795 C GLN B 100 22.790 11.201 13.956 1.00 0.00 C ATOM 1796 O GLN B 100 23.287 11.410 12.849 1.00 0.00 O ATOM 1797 CB GLN B 100 22.564 12.608 16.105 1.00 0.00 C ATOM 1798 CG GLN B 100 24.098 12.619 16.229 1.00 0.00 C ATOM 1799 CD GLN B 100 24.556 12.459 17.674 1.00 0.00 C ATOM 1800 OE1 GLN B 100 25.267 13.298 18.211 1.00 0.00 O ATOM 1801 NE2 GLN B 100 24.193 11.365 18.323 1.00 0.00 N ATOM 0 H GLN B 100 20.379 11.534 15.806 1.00 0.00 H new ATOM 0 HA GLN B 100 22.091 13.180 14.096 1.00 0.00 H new ATOM 0 HB2 GLN B 100 22.188 13.585 16.407 1.00 0.00 H new ATOM 0 HB3 GLN B 100 22.167 11.881 16.813 1.00 0.00 H new ATOM 0 HG2 GLN B 100 24.516 11.814 15.625 1.00 0.00 H new ATOM 0 HG3 GLN B 100 24.487 13.554 15.827 1.00 0.00 H new ATOM 0 HE21 GLN B 100 23.600 10.673 17.865 1.00 0.00 H new ATOM 0 HE22 GLN B 100 24.506 11.213 19.282 1.00 0.00 H new ATOM 1810 N SER B 101 22.944 10.038 14.579 1.00 0.00 N ATOM 1811 CA SER B 101 23.800 8.964 14.086 1.00 0.00 C ATOM 1812 C SER B 101 23.106 8.062 13.062 1.00 0.00 C ATOM 1813 O SER B 101 21.907 7.792 13.154 1.00 0.00 O ATOM 1814 CB SER B 101 24.273 8.110 15.267 1.00 0.00 C ATOM 1815 OG SER B 101 25.176 7.108 14.814 1.00 0.00 O ATOM 0 H SER B 101 22.471 9.811 15.454 1.00 0.00 H new ATOM 0 HA SER B 101 24.642 9.437 13.580 1.00 0.00 H new ATOM 0 HB2 SER B 101 24.761 8.741 16.010 1.00 0.00 H new ATOM 0 HB3 SER B 101 23.417 7.645 15.756 1.00 0.00 H new ATOM 0 HG SER B 101 25.474 6.568 15.576 1.00 0.00 H new ATOM 1821 N GLU B 102 23.899 7.464 12.166 1.00 0.00 N ATOM 1822 CA GLU B 102 23.508 6.257 11.447 1.00 0.00 C ATOM 1823 C GLU B 102 22.811 5.235 12.364 1.00 0.00 C ATOM 1824 O GLU B 102 21.845 4.583 11.987 1.00 0.00 O ATOM 1825 CB GLU B 102 24.741 5.578 10.851 1.00 0.00 C ATOM 1826 CG GLU B 102 25.364 6.280 9.637 1.00 0.00 C ATOM 1827 CD GLU B 102 26.585 5.544 9.135 1.00 0.00 C ATOM 1828 OE1 GLU B 102 26.710 4.338 9.455 1.00 0.00 O ATOM 1829 OE2 GLU B 102 27.472 6.155 8.515 1.00 0.00 O ATOM 0 H GLU B 102 24.828 7.807 11.922 1.00 0.00 H new ATOM 0 HA GLU B 102 22.814 6.570 10.667 1.00 0.00 H new ATOM 0 HB2 GLU B 102 25.500 5.496 11.629 1.00 0.00 H new ATOM 0 HB3 GLU B 102 24.470 4.563 10.561 1.00 0.00 H new ATOM 0 HG2 GLU B 102 24.626 6.349 8.838 1.00 0.00 H new ATOM 0 HG3 GLU B 102 25.638 7.300 9.907 1.00 0.00 H new ATOM 1836 N GLN B 103 23.334 5.060 13.580 1.00 0.00 N ATOM 1837 CA GLN B 103 22.755 4.131 14.542 1.00 0.00 C ATOM 1838 C GLN B 103 21.303 4.495 14.874 1.00 0.00 C ATOM 1839 O GLN B 103 20.416 3.650 14.875 1.00 0.00 O ATOM 1840 CB GLN B 103 23.622 4.093 15.812 1.00 0.00 C ATOM 1841 CG GLN B 103 25.069 3.638 15.549 1.00 0.00 C ATOM 1842 CD GLN B 103 25.151 2.257 14.916 1.00 0.00 C ATOM 1843 OE1 GLN B 103 25.729 2.069 13.850 1.00 0.00 O ATOM 1844 NE2 GLN B 103 24.547 1.262 15.541 1.00 0.00 N ATOM 0 H GLN B 103 24.160 5.553 13.919 1.00 0.00 H new ATOM 0 HA GLN B 103 22.739 3.137 14.095 1.00 0.00 H new ATOM 0 HB2 GLN B 103 23.637 5.085 16.263 1.00 0.00 H new ATOM 0 HB3 GLN B 103 23.163 3.420 16.537 1.00 0.00 H new ATOM 0 HG2 GLN B 103 25.559 4.361 14.896 1.00 0.00 H new ATOM 0 HG3 GLN B 103 25.620 3.634 16.490 1.00 0.00 H new ATOM 0 HE21 GLN B 103 24.070 1.431 16.427 1.00 0.00 H new ATOM 0 HE22 GLN B 103 24.558 0.325 15.138 1.00 0.00 H new ATOM 1853 N GLU B 104 21.046 5.768 15.127 1.00 0.00 N ATOM 1854 CA GLU B 104 19.719 6.226 15.491 1.00 0.00 C ATOM 1855 C GLU B 104 18.753 6.079 14.317 1.00 0.00 C ATOM 1856 O GLU B 104 17.667 5.519 14.469 1.00 0.00 O ATOM 1857 CB GLU B 104 19.822 7.674 15.933 1.00 0.00 C ATOM 1858 CG GLU B 104 20.747 7.839 17.143 1.00 0.00 C ATOM 1859 CD GLU B 104 21.223 9.280 17.221 1.00 0.00 C ATOM 1860 OE1 GLU B 104 20.378 10.182 17.055 1.00 0.00 O ATOM 1861 OE2 GLU B 104 22.459 9.463 17.247 1.00 0.00 O ATOM 0 H GLU B 104 21.748 6.507 15.086 1.00 0.00 H new ATOM 0 HA GLU B 104 19.327 5.619 16.307 1.00 0.00 H new ATOM 0 HB2 GLU B 104 20.194 8.280 15.107 1.00 0.00 H new ATOM 0 HB3 GLU B 104 18.829 8.049 16.182 1.00 0.00 H new ATOM 0 HG2 GLU B 104 20.219 7.569 18.058 1.00 0.00 H new ATOM 0 HG3 GLU B 104 21.601 7.167 17.057 1.00 0.00 H new ATOM 1868 N VAL B 105 19.152 6.543 13.126 1.00 0.00 N ATOM 1869 CA VAL B 105 18.272 6.418 11.975 1.00 0.00 C ATOM 1870 C VAL B 105 18.052 4.942 11.644 1.00 0.00 C ATOM 1871 O VAL B 105 16.923 4.561 11.372 1.00 0.00 O ATOM 1872 CB VAL B 105 18.713 7.260 10.766 1.00 0.00 C ATOM 1873 CG1 VAL B 105 18.953 8.726 11.150 1.00 0.00 C ATOM 1874 CG2 VAL B 105 19.966 6.706 10.106 1.00 0.00 C ATOM 0 H VAL B 105 20.049 6.993 12.944 1.00 0.00 H new ATOM 0 HA VAL B 105 17.307 6.846 12.247 1.00 0.00 H new ATOM 0 HB VAL B 105 17.891 7.208 10.052 1.00 0.00 H new ATOM 0 HG11 VAL B 105 19.263 9.287 10.268 1.00 0.00 H new ATOM 0 HG12 VAL B 105 18.032 9.154 11.547 1.00 0.00 H new ATOM 0 HG13 VAL B 105 19.734 8.780 11.908 1.00 0.00 H new ATOM 0 HG21 VAL B 105 20.238 7.334 9.258 1.00 0.00 H new ATOM 0 HG22 VAL B 105 20.783 6.696 10.827 1.00 0.00 H new ATOM 0 HG23 VAL B 105 19.776 5.690 9.759 1.00 0.00 H new ATOM 1884 N LEU B 106 19.068 4.073 11.737 1.00 0.00 N ATOM 1885 CA LEU B 106 18.815 2.657 11.472 1.00 0.00 C ATOM 1886 C LEU B 106 17.900 2.031 12.533 1.00 0.00 C ATOM 1887 O LEU B 106 17.010 1.255 12.185 1.00 0.00 O ATOM 1888 CB LEU B 106 20.095 1.867 11.154 1.00 0.00 C ATOM 1889 CG LEU B 106 20.894 1.379 12.366 1.00 0.00 C ATOM 1890 CD1 LEU B 106 20.431 0.010 12.884 1.00 0.00 C ATOM 1891 CD2 LEU B 106 22.370 1.264 11.993 1.00 0.00 C ATOM 0 H LEU B 106 20.029 4.312 11.982 1.00 0.00 H new ATOM 0 HA LEU B 106 18.245 2.592 10.545 1.00 0.00 H new ATOM 0 HB2 LEU B 106 19.825 1.002 10.548 1.00 0.00 H new ATOM 0 HB3 LEU B 106 20.744 2.494 10.543 1.00 0.00 H new ATOM 0 HG LEU B 106 20.732 2.112 13.156 1.00 0.00 H new ATOM 0 HD11 LEU B 106 21.037 -0.278 13.743 1.00 0.00 H new ATOM 0 HD12 LEU B 106 19.384 0.069 13.182 1.00 0.00 H new ATOM 0 HD13 LEU B 106 20.542 -0.734 12.095 1.00 0.00 H new ATOM 0 HD21 LEU B 106 22.937 0.917 12.856 1.00 0.00 H new ATOM 0 HD22 LEU B 106 22.484 0.554 11.174 1.00 0.00 H new ATOM 0 HD23 LEU B 106 22.744 2.239 11.682 1.00 0.00 H new ATOM 1903 N ASN B 107 18.068 2.380 13.815 1.00 0.00 N ATOM 1904 CA ASN B 107 17.159 1.908 14.863 1.00 0.00 C ATOM 1905 C ASN B 107 15.708 2.315 14.554 1.00 0.00 C ATOM 1906 O ASN B 107 14.817 1.469 14.436 1.00 0.00 O ATOM 1907 CB ASN B 107 17.585 2.464 16.233 1.00 0.00 C ATOM 1908 CG ASN B 107 18.945 1.972 16.718 1.00 0.00 C ATOM 1909 OD1 ASN B 107 19.402 0.886 16.382 1.00 0.00 O ATOM 1910 ND2 ASN B 107 19.612 2.768 17.542 1.00 0.00 N ATOM 0 H ASN B 107 18.820 2.983 14.148 1.00 0.00 H new ATOM 0 HA ASN B 107 17.212 0.820 14.892 1.00 0.00 H new ATOM 0 HB2 ASN B 107 17.604 3.553 16.180 1.00 0.00 H new ATOM 0 HB3 ASN B 107 16.830 2.194 16.972 1.00 0.00 H new ATOM 0 HD21 ASN B 107 20.520 2.479 17.906 1.00 0.00 H new ATOM 0 HD22 ASN B 107 19.217 3.669 17.812 1.00 0.00 H new ATOM 1917 N TYR B 108 15.473 3.619 14.405 1.00 0.00 N ATOM 1918 CA TYR B 108 14.153 4.172 14.129 1.00 0.00 C ATOM 1919 C TYR B 108 13.568 3.628 12.815 1.00 0.00 C ATOM 1920 O TYR B 108 12.460 3.098 12.807 1.00 0.00 O ATOM 1921 CB TYR B 108 14.245 5.699 14.153 1.00 0.00 C ATOM 1922 CG TYR B 108 12.909 6.414 14.097 1.00 0.00 C ATOM 1923 CD1 TYR B 108 12.239 6.557 12.872 1.00 0.00 C ATOM 1924 CD2 TYR B 108 12.365 7.008 15.252 1.00 0.00 C ATOM 1925 CE1 TYR B 108 11.131 7.413 12.764 1.00 0.00 C ATOM 1926 CE2 TYR B 108 11.177 7.757 15.163 1.00 0.00 C ATOM 1927 CZ TYR B 108 10.569 7.971 13.917 1.00 0.00 C ATOM 1928 OH TYR B 108 9.422 8.693 13.861 1.00 0.00 O ATOM 0 H TYR B 108 16.204 4.327 14.474 1.00 0.00 H new ATOM 0 HA TYR B 108 13.455 3.856 14.904 1.00 0.00 H new ATOM 0 HB2 TYR B 108 14.767 6.004 15.060 1.00 0.00 H new ATOM 0 HB3 TYR B 108 14.853 6.026 13.309 1.00 0.00 H new ATOM 0 HD1 TYR B 108 12.578 6.005 12.007 1.00 0.00 H new ATOM 0 HD2 TYR B 108 12.859 6.889 16.205 1.00 0.00 H new ATOM 0 HE1 TYR B 108 10.714 7.640 11.794 1.00 0.00 H new ATOM 0 HE2 TYR B 108 10.732 8.168 16.057 1.00 0.00 H new ATOM 0 HH TYR B 108 9.448 9.289 13.084 1.00 0.00 H new ATOM 1938 N ILE B 109 14.306 3.709 11.705 1.00 0.00 N ATOM 1939 CA ILE B 109 13.865 3.183 10.412 1.00 0.00 C ATOM 1940 C ILE B 109 13.454 1.706 10.530 1.00 0.00 C ATOM 1941 O ILE B 109 12.341 1.341 10.161 1.00 0.00 O ATOM 1942 CB ILE B 109 14.936 3.354 9.319 1.00 0.00 C ATOM 1943 CG1 ILE B 109 15.096 4.835 8.947 1.00 0.00 C ATOM 1944 CG2 ILE B 109 14.546 2.557 8.066 1.00 0.00 C ATOM 1945 CD1 ILE B 109 16.334 5.088 8.086 1.00 0.00 C ATOM 0 H ILE B 109 15.229 4.143 11.678 1.00 0.00 H new ATOM 0 HA ILE B 109 12.995 3.768 10.114 1.00 0.00 H new ATOM 0 HB ILE B 109 15.882 2.980 9.709 1.00 0.00 H new ATOM 0 HG12 ILE B 109 14.209 5.170 8.410 1.00 0.00 H new ATOM 0 HG13 ILE B 109 15.162 5.431 9.857 1.00 0.00 H new ATOM 0 HG21 ILE B 109 15.311 2.686 7.300 1.00 0.00 H new ATOM 0 HG22 ILE B 109 14.460 1.500 8.319 1.00 0.00 H new ATOM 0 HG23 ILE B 109 13.590 2.918 7.688 1.00 0.00 H new ATOM 0 HD11 ILE B 109 16.402 6.150 7.850 1.00 0.00 H new ATOM 0 HD12 ILE B 109 17.226 4.780 8.632 1.00 0.00 H new ATOM 0 HD13 ILE B 109 16.258 4.515 7.162 1.00 0.00 H new ATOM 1957 N GLU B 110 14.321 0.831 11.051 1.00 0.00 N ATOM 1958 CA GLU B 110 13.988 -0.585 11.235 1.00 0.00 C ATOM 1959 C GLU B 110 12.720 -0.775 12.102 1.00 0.00 C ATOM 1960 O GLU B 110 11.893 -1.654 11.828 1.00 0.00 O ATOM 1961 CB GLU B 110 15.213 -1.335 11.789 1.00 0.00 C ATOM 1962 CG GLU B 110 16.369 -1.430 10.769 1.00 0.00 C ATOM 1963 CD GLU B 110 16.184 -2.489 9.696 1.00 0.00 C ATOM 1964 OE1 GLU B 110 15.384 -2.261 8.770 1.00 0.00 O ATOM 1965 OE2 GLU B 110 16.866 -3.531 9.802 1.00 0.00 O ATOM 0 H GLU B 110 15.263 1.081 11.354 1.00 0.00 H new ATOM 0 HA GLU B 110 13.740 -1.019 10.266 1.00 0.00 H new ATOM 0 HB2 GLU B 110 15.568 -0.829 12.687 1.00 0.00 H new ATOM 0 HB3 GLU B 110 14.914 -2.340 12.087 1.00 0.00 H new ATOM 0 HG2 GLU B 110 16.490 -0.460 10.286 1.00 0.00 H new ATOM 0 HG3 GLU B 110 17.294 -1.635 11.307 1.00 0.00 H new ATOM 1972 N THR B 111 12.537 0.061 13.126 1.00 0.00 N ATOM 1973 CA THR B 111 11.303 0.101 13.923 1.00 0.00 C ATOM 1974 C THR B 111 10.074 0.488 13.083 1.00 0.00 C ATOM 1975 O THR B 111 9.126 -0.289 12.989 1.00 0.00 O ATOM 1976 CB THR B 111 11.467 1.006 15.154 1.00 0.00 C ATOM 1977 OG1 THR B 111 12.581 0.561 15.900 1.00 0.00 O ATOM 1978 CG2 THR B 111 10.251 0.928 16.078 1.00 0.00 C ATOM 0 H THR B 111 13.242 0.733 13.429 1.00 0.00 H new ATOM 0 HA THR B 111 11.119 -0.912 14.281 1.00 0.00 H new ATOM 0 HB THR B 111 11.588 2.029 14.799 1.00 0.00 H new ATOM 0 HG1 THR B 111 13.407 0.838 15.451 1.00 0.00 H new ATOM 0 HG21 THR B 111 10.404 1.581 16.937 1.00 0.00 H new ATOM 0 HG22 THR B 111 9.361 1.245 15.535 1.00 0.00 H new ATOM 0 HG23 THR B 111 10.120 -0.098 16.421 1.00 0.00 H new ATOM 1986 N GLN B 112 10.086 1.635 12.406 1.00 0.00 N ATOM 1987 CA GLN B 112 8.966 2.090 11.584 1.00 0.00 C ATOM 1988 C GLN B 112 8.671 1.144 10.399 1.00 0.00 C ATOM 1989 O GLN B 112 7.524 0.889 10.044 1.00 0.00 O ATOM 1990 CB GLN B 112 9.226 3.534 11.140 1.00 0.00 C ATOM 1991 CG GLN B 112 9.302 4.535 12.300 1.00 0.00 C ATOM 1992 CD GLN B 112 7.969 4.708 13.003 1.00 0.00 C ATOM 1993 OE1 GLN B 112 7.590 3.904 13.849 1.00 0.00 O ATOM 1994 NE2 GLN B 112 7.222 5.727 12.646 1.00 0.00 N ATOM 0 H GLN B 112 10.877 2.278 12.412 1.00 0.00 H new ATOM 0 HA GLN B 112 8.058 2.068 12.187 1.00 0.00 H new ATOM 0 HB2 GLN B 112 10.161 3.569 10.580 1.00 0.00 H new ATOM 0 HB3 GLN B 112 8.434 3.843 10.458 1.00 0.00 H new ATOM 0 HG2 GLN B 112 10.048 4.197 13.019 1.00 0.00 H new ATOM 0 HG3 GLN B 112 9.638 5.500 11.922 1.00 0.00 H new ATOM 0 HE21 GLN B 112 7.557 6.383 11.941 1.00 0.00 H new ATOM 0 HE22 GLN B 112 6.306 5.863 13.074 1.00 0.00 H new ATOM 2003 N ARG B 113 9.696 0.534 9.805 1.00 0.00 N ATOM 2004 CA ARG B 113 9.526 -0.583 8.879 1.00 0.00 C ATOM 2005 C ARG B 113 8.815 -1.765 9.557 1.00 0.00 C ATOM 2006 O ARG B 113 7.950 -2.425 8.981 1.00 0.00 O ATOM 2007 CB ARG B 113 10.888 -1.018 8.335 1.00 0.00 C ATOM 2008 CG ARG B 113 11.427 -0.005 7.329 1.00 0.00 C ATOM 2009 CD ARG B 113 12.747 -0.538 6.773 1.00 0.00 C ATOM 2010 NE ARG B 113 12.526 -1.674 5.843 1.00 0.00 N ATOM 2011 CZ ARG B 113 13.085 -2.884 5.927 1.00 0.00 C ATOM 2012 NH1 ARG B 113 13.797 -3.259 6.967 1.00 0.00 N ATOM 2013 NH2 ARG B 113 12.946 -3.791 4.981 1.00 0.00 N ATOM 0 H ARG B 113 10.669 0.802 9.953 1.00 0.00 H new ATOM 0 HA ARG B 113 8.900 -0.251 8.051 1.00 0.00 H new ATOM 0 HB2 ARG B 113 11.594 -1.128 9.158 1.00 0.00 H new ATOM 0 HB3 ARG B 113 10.798 -1.995 7.860 1.00 0.00 H new ATOM 0 HG2 ARG B 113 10.710 0.148 6.523 1.00 0.00 H new ATOM 0 HG3 ARG B 113 11.580 0.962 7.808 1.00 0.00 H new ATOM 0 HD2 ARG B 113 13.274 0.262 6.253 1.00 0.00 H new ATOM 0 HD3 ARG B 113 13.386 -0.859 7.595 1.00 0.00 H new ATOM 0 HE ARG B 113 11.886 -1.515 5.065 1.00 0.00 H new ATOM 0 HH11 ARG B 113 13.938 -2.617 7.747 1.00 0.00 H new ATOM 0 HH12 ARG B 113 14.208 -4.192 6.994 1.00 0.00 H new ATOM 0 HH21 ARG B 113 12.396 -3.579 4.148 1.00 0.00 H new ATOM 0 HH22 ARG B 113 13.388 -4.705 5.081 1.00 0.00 H new ATOM 2027 N THR B 114 9.177 -2.070 10.802 1.00 0.00 N ATOM 2028 CA THR B 114 8.452 -3.053 11.612 1.00 0.00 C ATOM 2029 C THR B 114 6.976 -2.700 11.857 1.00 0.00 C ATOM 2030 O THR B 114 6.119 -3.563 11.653 1.00 0.00 O ATOM 2031 CB THR B 114 9.253 -3.462 12.850 1.00 0.00 C ATOM 2032 OG1 THR B 114 10.446 -4.053 12.357 1.00 0.00 O ATOM 2033 CG2 THR B 114 8.516 -4.492 13.706 1.00 0.00 C ATOM 0 H THR B 114 9.975 -1.647 11.277 1.00 0.00 H new ATOM 0 HA THR B 114 8.369 -3.961 11.015 1.00 0.00 H new ATOM 0 HB THR B 114 9.428 -2.591 13.481 1.00 0.00 H new ATOM 0 HG1 THR B 114 11.084 -3.349 12.114 1.00 0.00 H new ATOM 0 HG21 THR B 114 9.126 -4.749 14.572 1.00 0.00 H new ATOM 0 HG22 THR B 114 7.567 -4.074 14.042 1.00 0.00 H new ATOM 0 HG23 THR B 114 8.328 -5.389 13.115 1.00 0.00 H new ATOM 2041 N TYR B 115 6.659 -1.447 12.186 1.00 0.00 N ATOM 2042 CA TYR B 115 5.294 -0.928 12.072 1.00 0.00 C ATOM 2043 C TYR B 115 4.688 -1.257 10.695 1.00 0.00 C ATOM 2044 O TYR B 115 3.659 -1.931 10.624 1.00 0.00 O ATOM 2045 CB TYR B 115 5.267 0.574 12.405 1.00 0.00 C ATOM 2046 CG TYR B 115 4.061 1.339 11.891 1.00 0.00 C ATOM 2047 CD1 TYR B 115 2.872 1.357 12.639 1.00 0.00 C ATOM 2048 CD2 TYR B 115 4.126 2.035 10.666 1.00 0.00 C ATOM 2049 CE1 TYR B 115 1.745 2.041 12.152 1.00 0.00 C ATOM 2050 CE2 TYR B 115 2.990 2.701 10.173 1.00 0.00 C ATOM 2051 CZ TYR B 115 1.798 2.691 10.911 1.00 0.00 C ATOM 2052 OH TYR B 115 0.652 3.170 10.357 1.00 0.00 O ATOM 0 H TYR B 115 7.334 -0.768 12.536 1.00 0.00 H new ATOM 0 HA TYR B 115 4.658 -1.426 12.804 1.00 0.00 H new ATOM 0 HB2 TYR B 115 5.313 0.688 13.488 1.00 0.00 H new ATOM 0 HB3 TYR B 115 6.167 1.034 11.998 1.00 0.00 H new ATOM 0 HD1 TYR B 115 2.824 0.845 13.589 1.00 0.00 H new ATOM 0 HD2 TYR B 115 5.049 2.056 10.106 1.00 0.00 H new ATOM 0 HE1 TYR B 115 0.836 2.066 12.735 1.00 0.00 H new ATOM 0 HE2 TYR B 115 3.036 3.220 9.227 1.00 0.00 H new ATOM 0 HH TYR B 115 -0.112 2.654 10.688 1.00 0.00 H new ATOM 2062 N TRP B 116 5.351 -0.890 9.596 1.00 0.00 N ATOM 2063 CA TRP B 116 4.851 -1.215 8.263 1.00 0.00 C ATOM 2064 C TRP B 116 4.552 -2.703 8.042 1.00 0.00 C ATOM 2065 O TRP B 116 3.452 -3.027 7.607 1.00 0.00 O ATOM 2066 CB TRP B 116 5.708 -0.617 7.140 1.00 0.00 C ATOM 2067 CG TRP B 116 5.370 0.800 6.785 1.00 0.00 C ATOM 2068 CD1 TRP B 116 6.246 1.822 6.674 1.00 0.00 C ATOM 2069 CD2 TRP B 116 4.059 1.370 6.495 1.00 0.00 C ATOM 2070 NE1 TRP B 116 5.571 2.986 6.366 1.00 0.00 N ATOM 2071 CE2 TRP B 116 4.215 2.765 6.257 1.00 0.00 C ATOM 2072 CE3 TRP B 116 2.752 0.846 6.390 1.00 0.00 C ATOM 2073 CZ2 TRP B 116 3.127 3.597 5.965 1.00 0.00 C ATOM 2074 CZ3 TRP B 116 1.647 1.686 6.174 1.00 0.00 C ATOM 2075 CH2 TRP B 116 1.832 3.058 5.948 1.00 0.00 C ATOM 0 H TRP B 116 6.229 -0.371 9.604 1.00 0.00 H new ATOM 0 HA TRP B 116 3.880 -0.723 8.213 1.00 0.00 H new ATOM 0 HB2 TRP B 116 6.756 -0.664 7.436 1.00 0.00 H new ATOM 0 HB3 TRP B 116 5.601 -1.236 6.250 1.00 0.00 H new ATOM 0 HD1 TRP B 116 7.315 1.741 6.806 1.00 0.00 H new ATOM 0 HE1 TRP B 116 6.018 3.893 6.236 1.00 0.00 H new ATOM 0 HE3 TRP B 116 2.599 -0.220 6.477 1.00 0.00 H new ATOM 0 HZ2 TRP B 116 3.284 4.645 5.755 1.00 0.00 H new ATOM 0 HZ3 TRP B 116 0.649 1.273 6.182 1.00 0.00 H new ATOM 0 HH2 TRP B 116 0.981 3.697 5.762 1.00 0.00 H new ATOM 2086 N LYS B 117 5.449 -3.646 8.360 1.00 0.00 N ATOM 2087 CA LYS B 117 5.060 -5.059 8.240 1.00 0.00 C ATOM 2088 C LYS B 117 3.799 -5.418 9.055 1.00 0.00 C ATOM 2089 O LYS B 117 2.970 -6.186 8.566 1.00 0.00 O ATOM 2090 CB LYS B 117 6.209 -6.075 8.395 1.00 0.00 C ATOM 2091 CG LYS B 117 7.195 -5.869 9.549 1.00 0.00 C ATOM 2092 CD LYS B 117 8.108 -7.108 9.634 1.00 0.00 C ATOM 2093 CE LYS B 117 9.210 -7.088 10.712 1.00 0.00 C ATOM 2094 NZ LYS B 117 10.238 -6.036 10.512 1.00 0.00 N ATOM 0 H LYS B 117 6.400 -3.473 8.686 1.00 0.00 H new ATOM 0 HA LYS B 117 4.775 -5.161 7.193 1.00 0.00 H new ATOM 0 HB2 LYS B 117 5.767 -7.065 8.505 1.00 0.00 H new ATOM 0 HB3 LYS B 117 6.778 -6.081 7.465 1.00 0.00 H new ATOM 0 HG2 LYS B 117 7.789 -4.970 9.384 1.00 0.00 H new ATOM 0 HG3 LYS B 117 6.658 -5.729 10.487 1.00 0.00 H new ATOM 0 HD2 LYS B 117 7.480 -7.982 9.807 1.00 0.00 H new ATOM 0 HD3 LYS B 117 8.585 -7.246 8.664 1.00 0.00 H new ATOM 0 HE2 LYS B 117 8.746 -6.945 11.688 1.00 0.00 H new ATOM 0 HE3 LYS B 117 9.701 -8.061 10.732 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 11.183 -6.438 10.677 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 10.180 -5.675 9.538 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 10.072 -5.257 11.180 1.00 0.00 H new ATOM 2108 N LEU B 118 3.598 -4.840 10.245 1.00 0.00 N ATOM 2109 CA LEU B 118 2.345 -5.017 10.990 1.00 0.00 C ATOM 2110 C LEU B 118 1.131 -4.393 10.267 1.00 0.00 C ATOM 2111 O LEU B 118 0.123 -5.068 10.050 1.00 0.00 O ATOM 2112 CB LEU B 118 2.500 -4.506 12.428 1.00 0.00 C ATOM 2113 CG LEU B 118 3.495 -5.349 13.247 1.00 0.00 C ATOM 2114 CD1 LEU B 118 3.916 -4.563 14.491 1.00 0.00 C ATOM 2115 CD2 LEU B 118 2.884 -6.681 13.693 1.00 0.00 C ATOM 0 H LEU B 118 4.284 -4.247 10.712 1.00 0.00 H new ATOM 0 HA LEU B 118 2.135 -6.086 11.037 1.00 0.00 H new ATOM 0 HB2 LEU B 118 2.837 -3.469 12.408 1.00 0.00 H new ATOM 0 HB3 LEU B 118 1.528 -4.516 12.921 1.00 0.00 H new ATOM 0 HG LEU B 118 4.353 -5.562 12.609 1.00 0.00 H new ATOM 0 HD11 LEU B 118 4.621 -5.156 15.075 1.00 0.00 H new ATOM 0 HD12 LEU B 118 4.390 -3.629 14.188 1.00 0.00 H new ATOM 0 HD13 LEU B 118 3.037 -4.343 15.097 1.00 0.00 H new ATOM 0 HD21 LEU B 118 3.619 -7.244 14.268 1.00 0.00 H new ATOM 0 HD22 LEU B 118 2.008 -6.490 14.313 1.00 0.00 H new ATOM 0 HD23 LEU B 118 2.589 -7.258 12.816 1.00 0.00 H new ATOM 2127 N GLU B 119 1.204 -3.137 9.825 1.00 0.00 N ATOM 2128 CA GLU B 119 0.171 -2.537 8.969 1.00 0.00 C ATOM 2129 C GLU B 119 -0.137 -3.391 7.733 1.00 0.00 C ATOM 2130 O GLU B 119 -1.284 -3.585 7.339 1.00 0.00 O ATOM 2131 CB GLU B 119 0.610 -1.143 8.518 1.00 0.00 C ATOM 2132 CG GLU B 119 0.564 -0.086 9.627 1.00 0.00 C ATOM 2133 CD GLU B 119 -0.830 0.228 10.135 1.00 0.00 C ATOM 2134 OE1 GLU B 119 -1.817 -0.292 9.578 1.00 0.00 O ATOM 2135 OE2 GLU B 119 -0.948 0.901 11.176 1.00 0.00 O ATOM 0 H GLU B 119 1.975 -2.507 10.047 1.00 0.00 H new ATOM 0 HA GLU B 119 -0.739 -2.475 9.566 1.00 0.00 H new ATOM 0 HB2 GLU B 119 1.626 -1.202 8.128 1.00 0.00 H new ATOM 0 HB3 GLU B 119 -0.029 -0.820 7.696 1.00 0.00 H new ATOM 0 HG2 GLU B 119 1.174 -0.427 10.463 1.00 0.00 H new ATOM 0 HG3 GLU B 119 1.018 0.833 9.256 1.00 0.00 H new ATOM 2142 N ASN B 120 0.899 -3.954 7.122 1.00 0.00 N ATOM 2143 CA ASN B 120 0.805 -4.834 5.967 1.00 0.00 C ATOM 2144 C ASN B 120 0.282 -6.246 6.317 1.00 0.00 C ATOM 2145 O ASN B 120 -0.038 -7.032 5.417 1.00 0.00 O ATOM 2146 CB ASN B 120 2.169 -4.931 5.279 1.00 0.00 C ATOM 2147 CG ASN B 120 2.857 -3.624 4.889 1.00 0.00 C ATOM 2148 OD1 ASN B 120 4.071 -3.586 4.758 1.00 0.00 O ATOM 2149 ND2 ASN B 120 2.128 -2.539 4.683 1.00 0.00 N ATOM 0 H ASN B 120 1.860 -3.804 7.429 1.00 0.00 H new ATOM 0 HA ASN B 120 0.073 -4.393 5.290 1.00 0.00 H new ATOM 0 HB2 ASN B 120 2.840 -5.480 5.939 1.00 0.00 H new ATOM 0 HB3 ASN B 120 2.049 -5.530 4.376 1.00 0.00 H new ATOM 0 HD21 ASN B 120 2.579 -1.665 4.413 1.00 0.00 H new ATOM 0 HD22 ASN B 120 1.115 -2.577 4.794 1.00 0.00 H new ATOM 2156 N GLN B 121 0.211 -6.584 7.606 1.00 0.00 N ATOM 2157 CA GLN B 121 -0.302 -7.843 8.153 1.00 0.00 C ATOM 2158 C GLN B 121 -1.790 -7.734 8.542 1.00 0.00 C ATOM 2159 O GLN B 121 -2.577 -8.593 8.161 1.00 0.00 O ATOM 2160 CB GLN B 121 0.569 -8.226 9.358 1.00 0.00 C ATOM 2161 CG GLN B 121 0.224 -9.573 10.008 1.00 0.00 C ATOM 2162 CD GLN B 121 0.760 -9.636 11.435 1.00 0.00 C ATOM 2163 OE1 GLN B 121 0.001 -9.706 12.385 1.00 0.00 O ATOM 2164 NE2 GLN B 121 2.067 -9.555 11.617 1.00 0.00 N ATOM 0 H GLN B 121 0.528 -5.950 8.339 1.00 0.00 H new ATOM 0 HA GLN B 121 -0.247 -8.622 7.393 1.00 0.00 H new ATOM 0 HB2 GLN B 121 1.611 -8.250 9.040 1.00 0.00 H new ATOM 0 HB3 GLN B 121 0.483 -7.444 10.112 1.00 0.00 H new ATOM 0 HG2 GLN B 121 -0.857 -9.713 10.014 1.00 0.00 H new ATOM 0 HG3 GLN B 121 0.648 -10.386 9.419 1.00 0.00 H new ATOM 0 HE21 GLN B 121 2.691 -9.497 10.812 1.00 0.00 H new ATOM 0 HE22 GLN B 121 2.451 -9.551 12.562 1.00 0.00 H new ATOM 2173 N LYS B 122 -2.171 -6.692 9.294 1.00 0.00 N ATOM 2174 CA LYS B 122 -3.491 -6.524 9.917 1.00 0.00 C ATOM 2175 C LYS B 122 -4.710 -6.950 9.054 1.00 0.00 C ATOM 2176 O LYS B 122 -4.728 -6.792 7.833 1.00 0.00 O ATOM 2177 CB LYS B 122 -3.632 -5.067 10.405 1.00 0.00 C ATOM 2178 CG LYS B 122 -2.944 -4.780 11.755 1.00 0.00 C ATOM 2179 CD LYS B 122 -3.288 -3.382 12.320 1.00 0.00 C ATOM 2180 CE LYS B 122 -2.602 -2.258 11.528 1.00 0.00 C ATOM 2181 NZ LYS B 122 -3.052 -0.896 11.903 1.00 0.00 N ATOM 0 H LYS B 122 -1.543 -5.913 9.493 1.00 0.00 H new ATOM 0 HA LYS B 122 -3.519 -7.224 10.752 1.00 0.00 H new ATOM 0 HB2 LYS B 122 -3.215 -4.401 9.649 1.00 0.00 H new ATOM 0 HB3 LYS B 122 -4.692 -4.826 10.492 1.00 0.00 H new ATOM 0 HG2 LYS B 122 -3.240 -5.541 12.477 1.00 0.00 H new ATOM 0 HG3 LYS B 122 -1.864 -4.861 11.631 1.00 0.00 H new ATOM 0 HD2 LYS B 122 -4.368 -3.236 12.295 1.00 0.00 H new ATOM 0 HD3 LYS B 122 -2.983 -3.328 13.365 1.00 0.00 H new ATOM 0 HE2 LYS B 122 -1.524 -2.328 11.677 1.00 0.00 H new ATOM 0 HE3 LYS B 122 -2.787 -2.411 10.465 1.00 0.00 H new ATOM 0 HZ1 LYS B 122 -2.997 -0.272 11.073 1.00 0.00 H new ATOM 0 HZ2 LYS B 122 -4.034 -0.936 12.242 1.00 0.00 H new ATOM 0 HZ3 LYS B 122 -2.440 -0.524 12.657 1.00 0.00 H new ATOM 2195 N LYS B 123 -5.742 -7.477 9.720 1.00 0.00 N ATOM 2196 CA LYS B 123 -7.034 -7.911 9.169 1.00 0.00 C ATOM 2197 C LYS B 123 -7.747 -6.849 8.310 1.00 0.00 C ATOM 2198 O LYS B 123 -8.264 -5.900 8.893 1.00 0.00 O ATOM 2199 CB LYS B 123 -7.927 -8.251 10.386 1.00 0.00 C ATOM 2200 CG LYS B 123 -9.430 -8.484 10.098 1.00 0.00 C ATOM 2201 CD LYS B 123 -10.377 -7.812 11.118 1.00 0.00 C ATOM 2202 CE LYS B 123 -10.642 -6.301 10.930 1.00 0.00 C ATOM 2203 NZ LYS B 123 -9.471 -5.453 11.247 1.00 0.00 N ATOM 0 H LYS B 123 -5.696 -7.623 10.728 1.00 0.00 H new ATOM 0 HA LYS B 123 -6.856 -8.755 8.503 1.00 0.00 H new ATOM 0 HB2 LYS B 123 -7.528 -9.147 10.862 1.00 0.00 H new ATOM 0 HB3 LYS B 123 -7.840 -7.440 11.110 1.00 0.00 H new ATOM 0 HG2 LYS B 123 -9.661 -8.108 9.101 1.00 0.00 H new ATOM 0 HG3 LYS B 123 -9.626 -9.556 10.088 1.00 0.00 H new ATOM 0 HD2 LYS B 123 -11.335 -8.332 11.086 1.00 0.00 H new ATOM 0 HD3 LYS B 123 -9.965 -7.963 12.116 1.00 0.00 H new ATOM 0 HE2 LYS B 123 -10.944 -6.119 9.899 1.00 0.00 H new ATOM 0 HE3 LYS B 123 -11.478 -6.005 11.564 1.00 0.00 H new ATOM 0 HZ1 LYS B 123 -9.749 -4.451 11.215 1.00 0.00 H new ATOM 0 HZ2 LYS B 123 -9.121 -5.685 12.199 1.00 0.00 H new ATOM 0 HZ3 LYS B 123 -8.719 -5.626 10.550 1.00 0.00 H new ATOM 2217 N LEU B 124 -7.944 -7.090 7.005 1.00 0.00 N ATOM 2218 CA LEU B 124 -9.103 -6.562 6.264 1.00 0.00 C ATOM 2219 C LEU B 124 -10.115 -7.697 6.030 1.00 0.00 C ATOM 2220 O LEU B 124 -9.750 -8.761 5.529 1.00 0.00 O ATOM 2221 CB LEU B 124 -8.724 -5.914 4.915 1.00 0.00 C ATOM 2222 CG LEU B 124 -9.444 -4.568 4.651 1.00 0.00 C ATOM 2223 CD1 LEU B 124 -9.261 -4.104 3.210 1.00 0.00 C ATOM 2224 CD2 LEU B 124 -10.955 -4.534 4.858 1.00 0.00 C ATOM 0 H LEU B 124 -7.311 -7.652 6.436 1.00 0.00 H new ATOM 0 HA LEU B 124 -9.540 -5.772 6.875 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -7.646 -5.752 4.889 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -8.961 -6.608 4.109 1.00 0.00 H new ATOM 0 HG LEU B 124 -8.969 -3.933 5.399 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -9.780 -3.157 3.064 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -8.199 -3.971 3.003 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -9.672 -4.852 2.532 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -11.330 -3.534 4.639 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -11.430 -5.254 4.191 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -11.186 -4.790 5.892 1.00 0.00 H new ATOM 2236 N TYR B 125 -11.380 -7.479 6.384 1.00 0.00 N ATOM 2237 CA TYR B 125 -12.501 -8.382 6.088 1.00 0.00 C ATOM 2238 C TYR B 125 -12.922 -8.390 4.601 1.00 0.00 C ATOM 2239 O TYR B 125 -13.815 -9.135 4.218 1.00 0.00 O ATOM 2240 CB TYR B 125 -13.683 -8.032 7.011 1.00 0.00 C ATOM 2241 CG TYR B 125 -13.892 -6.546 7.242 1.00 0.00 C ATOM 2242 CD1 TYR B 125 -14.188 -5.692 6.161 1.00 0.00 C ATOM 2243 CD2 TYR B 125 -13.602 -5.996 8.505 1.00 0.00 C ATOM 2244 CE1 TYR B 125 -14.110 -4.297 6.327 1.00 0.00 C ATOM 2245 CE2 TYR B 125 -13.519 -4.605 8.663 1.00 0.00 C ATOM 2246 CZ TYR B 125 -13.786 -3.757 7.579 1.00 0.00 C ATOM 2247 OH TYR B 125 -13.644 -2.421 7.746 1.00 0.00 O ATOM 0 H TYR B 125 -11.666 -6.647 6.900 1.00 0.00 H new ATOM 0 HA TYR B 125 -12.164 -9.400 6.284 1.00 0.00 H new ATOM 0 HB2 TYR B 125 -14.595 -8.451 6.585 1.00 0.00 H new ATOM 0 HB3 TYR B 125 -13.529 -8.517 7.975 1.00 0.00 H new ATOM 0 HD1 TYR B 125 -14.474 -6.108 5.206 1.00 0.00 H new ATOM 0 HD2 TYR B 125 -13.443 -6.646 9.353 1.00 0.00 H new ATOM 0 HE1 TYR B 125 -14.300 -3.642 5.489 1.00 0.00 H new ATOM 0 HE2 TYR B 125 -13.249 -4.186 9.621 1.00 0.00 H new ATOM 0 HH TYR B 125 -12.869 -2.108 7.234 1.00 0.00 H new ATOM 2257 N ARG B 126 -12.286 -7.573 3.757 1.00 0.00 N ATOM 2258 CA ARG B 126 -12.511 -7.459 2.311 1.00 0.00 C ATOM 2259 C ARG B 126 -13.845 -6.797 1.920 1.00 0.00 C ATOM 2260 O ARG B 126 -13.861 -5.945 1.038 1.00 0.00 O ATOM 2261 CB ARG B 126 -12.328 -8.813 1.597 1.00 0.00 C ATOM 2262 CG ARG B 126 -11.045 -9.563 1.985 1.00 0.00 C ATOM 2263 CD ARG B 126 -9.788 -8.953 1.339 1.00 0.00 C ATOM 2264 NE ARG B 126 -8.572 -9.035 2.183 1.00 0.00 N ATOM 2265 CZ ARG B 126 -8.092 -10.059 2.892 1.00 0.00 C ATOM 2266 NH1 ARG B 126 -8.713 -11.224 2.948 1.00 0.00 N ATOM 2267 NH2 ARG B 126 -6.954 -9.926 3.542 1.00 0.00 N ATOM 0 H ARG B 126 -11.558 -6.936 4.082 1.00 0.00 H new ATOM 0 HA ARG B 126 -11.738 -6.775 1.962 1.00 0.00 H new ATOM 0 HB2 ARG B 126 -13.187 -9.447 1.819 1.00 0.00 H new ATOM 0 HB3 ARG B 126 -12.325 -8.645 0.520 1.00 0.00 H new ATOM 0 HG2 ARG B 126 -10.935 -9.551 3.069 1.00 0.00 H new ATOM 0 HG3 ARG B 126 -11.133 -10.607 1.685 1.00 0.00 H new ATOM 0 HD2 ARG B 126 -9.596 -9.461 0.394 1.00 0.00 H new ATOM 0 HD3 ARG B 126 -9.985 -7.907 1.105 1.00 0.00 H new ATOM 0 HE ARG B 126 -8.018 -8.180 2.229 1.00 0.00 H new ATOM 0 HH11 ARG B 126 -9.587 -11.361 2.440 1.00 0.00 H new ATOM 0 HH12 ARG B 126 -8.319 -11.986 3.499 1.00 0.00 H new ATOM 0 HH21 ARG B 126 -6.444 -9.044 3.502 1.00 0.00 H new ATOM 0 HH22 ARG B 126 -6.583 -10.705 4.085 1.00 0.00 H new