USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 810 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 14 TYR OH : rot 75:sc= 1.28 USER MOD Set 1.2: A 103 SER OG : rot 37:sc= 0.575 USER MOD Set 2.1: A 38 SER OG : rot 180:sc= -0.931 USER MOD Set 2.2: A 93 ASN : amide:sc= -4.34! C(o=-5.3!,f=-8.7!) USER MOD Single : A 10 GLN : amide:sc= -0.0398 X(o=-0.04,f=-0.04) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -140:sc= -1.41 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.829 X(o=-0.83,f=-0.89) USER MOD Single : A 63 GLN : amide:sc= -0.689 K(o=-0.69,f=-2.4!) USER MOD Single : A 64 SER OG : rot 34:sc= -1.66! USER MOD Single : A 65 ASN : amide:sc= -1.23 K(o=-1.2,f=-3.7!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0814 USER MOD Single : A 70 THR OG1 : rot -150:sc= -0.171 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot -130:sc= -3.45! USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 79 LYS NZ :NH3+ -123:sc= -0.188 (180deg=-1.12) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -3.9! C(o=-3.9!,f=-8.5!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0133) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0111 USER MOD Single : A 102 GLN : amide:sc= 0.0533 X(o=0.053,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -10.312 -15.713 2.496 1.00 0.00 N ATOM 67 CA LEU A 8 -10.121 -14.338 2.048 1.00 0.00 C ATOM 68 C LEU A 8 -9.069 -13.630 2.896 1.00 0.00 C ATOM 69 O LEU A 8 -8.927 -13.884 4.093 1.00 0.00 O ATOM 70 CB LEU A 8 -11.443 -13.572 2.111 1.00 0.00 C ATOM 71 CG LEU A 8 -12.513 -13.997 1.105 1.00 0.00 C ATOM 72 CD1 LEU A 8 -13.904 -13.764 1.674 1.00 0.00 C ATOM 73 CD2 LEU A 8 -12.340 -13.246 -0.207 1.00 0.00 C ATOM 0 HA LEU A 8 -9.772 -14.364 1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.854 -13.678 3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.234 -12.513 1.963 1.00 0.00 H new ATOM 0 HG LEU A 8 -12.396 -15.063 0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.652 -14.072 0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.026 -14.347 2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.032 -12.705 1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.110 -13.561 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -12.429 -12.175 -0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -11.357 -13.463 -0.624 1.00 0.00 H new ATOM 85 N PRO A 9 -8.314 -12.719 2.265 1.00 0.00 N ATOM 86 CA PRO A 9 -7.264 -11.953 2.943 1.00 0.00 C ATOM 87 C PRO A 9 -7.832 -10.941 3.932 1.00 0.00 C ATOM 88 O PRO A 9 -8.895 -10.365 3.702 1.00 0.00 O ATOM 89 CB PRO A 9 -6.551 -11.236 1.794 1.00 0.00 C ATOM 90 CG PRO A 9 -7.574 -11.134 0.717 1.00 0.00 C ATOM 91 CD PRO A 9 -8.429 -12.365 0.840 1.00 0.00 C ATOM 0 HA PRO A 9 -6.610 -12.593 3.536 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.199 -10.251 2.100 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.678 -11.796 1.459 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.172 -10.230 0.832 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.103 -11.082 -0.265 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.463 -12.166 0.557 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.072 -13.169 0.196 1.00 0.00 H new ATOM 99 N GLN A 10 -7.117 -10.730 5.032 1.00 0.00 N ATOM 100 CA GLN A 10 -7.551 -9.788 6.056 1.00 0.00 C ATOM 101 C GLN A 10 -6.386 -8.924 6.529 1.00 0.00 C ATOM 102 O GLN A 10 -5.230 -9.345 6.489 1.00 0.00 O ATOM 103 CB GLN A 10 -8.161 -10.536 7.243 1.00 0.00 C ATOM 104 CG GLN A 10 -9.634 -10.863 7.062 1.00 0.00 C ATOM 105 CD GLN A 10 -10.526 -9.648 7.227 1.00 0.00 C ATOM 106 OE1 GLN A 10 -10.777 -9.194 8.344 1.00 0.00 O ATOM 107 NE2 GLN A 10 -11.011 -9.114 6.112 1.00 0.00 N ATOM 0 H GLN A 10 -6.235 -11.199 5.237 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.308 -9.138 5.618 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.608 -11.462 7.401 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -8.039 -9.934 8.143 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -9.788 -11.290 6.071 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.925 -11.624 7.786 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -10.777 -9.523 5.207 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -11.617 -8.295 6.160 1.00 0.00 H new ATOM 116 N VAL A 11 -6.699 -7.712 6.977 1.00 0.00 N ATOM 117 CA VAL A 11 -5.678 -6.788 7.459 1.00 0.00 C ATOM 118 C VAL A 11 -6.083 -6.169 8.792 1.00 0.00 C ATOM 119 O VAL A 11 -6.814 -5.180 8.831 1.00 0.00 O ATOM 120 CB VAL A 11 -5.415 -5.663 6.441 1.00 0.00 C ATOM 121 CG1 VAL A 11 -4.409 -4.665 6.997 1.00 0.00 C ATOM 122 CG2 VAL A 11 -4.930 -6.242 5.121 1.00 0.00 C ATOM 0 H VAL A 11 -7.651 -7.347 7.016 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.764 -7.367 7.594 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.351 -5.136 6.258 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.235 -3.877 6.264 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.801 -4.227 7.915 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.470 -5.176 7.210 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.749 -5.433 4.413 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.005 -6.795 5.284 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.688 -6.914 4.718 1.00 0.00 H new ATOM 132 N GLU A 12 -5.602 -6.758 9.882 1.00 0.00 N ATOM 133 CA GLU A 12 -5.915 -6.263 11.218 1.00 0.00 C ATOM 134 C GLU A 12 -5.380 -4.847 11.412 1.00 0.00 C ATOM 135 O GLU A 12 -6.140 -3.916 11.679 1.00 0.00 O ATOM 136 CB GLU A 12 -5.326 -7.192 12.281 1.00 0.00 C ATOM 137 CG GLU A 12 -6.029 -7.102 13.625 1.00 0.00 C ATOM 138 CD GLU A 12 -7.428 -7.685 13.593 1.00 0.00 C ATOM 139 OE1 GLU A 12 -7.661 -8.626 12.806 1.00 0.00 O ATOM 140 OE2 GLU A 12 -8.291 -7.200 14.355 1.00 0.00 O ATOM 0 H GLU A 12 -4.995 -7.577 9.867 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.000 -6.242 11.325 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.377 -8.220 11.922 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.271 -6.954 12.416 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.438 -7.627 14.376 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.082 -6.058 13.934 1.00 0.00 H new ATOM 147 N ALA A 13 -4.067 -4.693 11.278 1.00 0.00 N ATOM 148 CA ALA A 13 -3.430 -3.391 11.437 1.00 0.00 C ATOM 149 C ALA A 13 -2.236 -3.246 10.501 1.00 0.00 C ATOM 150 O ALA A 13 -1.856 -4.194 9.812 1.00 0.00 O ATOM 151 CB ALA A 13 -2.998 -3.188 12.882 1.00 0.00 C ATOM 0 H ALA A 13 -3.423 -5.454 11.060 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.158 -2.623 11.175 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.524 -2.212 12.986 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.871 -3.239 13.533 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.290 -3.967 13.163 1.00 0.00 H new ATOM 157 N TYR A 14 -1.647 -2.056 10.480 1.00 0.00 N ATOM 158 CA TYR A 14 -0.497 -1.786 9.625 1.00 0.00 C ATOM 159 C TYR A 14 0.363 -0.668 10.206 1.00 0.00 C ATOM 160 O TYR A 14 -0.153 0.310 10.746 1.00 0.00 O ATOM 161 CB TYR A 14 -0.960 -1.410 8.216 1.00 0.00 C ATOM 162 CG TYR A 14 -1.967 -0.283 8.190 1.00 0.00 C ATOM 163 CD1 TYR A 14 -1.591 1.018 8.502 1.00 0.00 C ATOM 164 CD2 TYR A 14 -3.294 -0.518 7.855 1.00 0.00 C ATOM 165 CE1 TYR A 14 -2.508 2.051 8.481 1.00 0.00 C ATOM 166 CE2 TYR A 14 -4.217 0.509 7.829 1.00 0.00 C ATOM 167 CZ TYR A 14 -3.819 1.792 8.143 1.00 0.00 C ATOM 168 OH TYR A 14 -4.736 2.818 8.120 1.00 0.00 O ATOM 0 H TYR A 14 -1.947 -1.262 11.046 1.00 0.00 H new ATOM 0 HA TYR A 14 0.106 -2.693 9.572 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.092 -1.124 7.622 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.397 -2.288 7.740 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.564 1.225 8.765 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.610 -1.521 7.611 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.199 3.056 8.728 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.245 0.309 7.564 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.586 3.373 7.326 1.00 0.00 H new ATOM 178 N SER A 15 1.678 -0.821 10.089 1.00 0.00 N ATOM 179 CA SER A 15 2.612 0.174 10.604 1.00 0.00 C ATOM 180 C SER A 15 3.853 0.263 9.721 1.00 0.00 C ATOM 181 O SER A 15 4.263 -0.707 9.083 1.00 0.00 O ATOM 182 CB SER A 15 3.017 -0.171 12.039 1.00 0.00 C ATOM 183 OG SER A 15 3.453 -1.516 12.136 1.00 0.00 O ATOM 0 H SER A 15 2.121 -1.624 9.642 1.00 0.00 H new ATOM 0 HA SER A 15 2.113 1.143 10.597 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.813 0.497 12.366 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.171 -0.010 12.708 1.00 0.00 H new ATOM 0 HG SER A 15 3.708 -1.711 13.062 1.00 0.00 H new ATOM 189 N PRO A 16 4.466 1.455 9.682 1.00 0.00 N ATOM 190 CA PRO A 16 3.987 2.617 10.437 1.00 0.00 C ATOM 191 C PRO A 16 2.674 3.164 9.886 1.00 0.00 C ATOM 192 O PRO A 16 2.449 3.162 8.676 1.00 0.00 O ATOM 193 CB PRO A 16 5.109 3.642 10.261 1.00 0.00 C ATOM 194 CG PRO A 16 5.776 3.259 8.985 1.00 0.00 C ATOM 195 CD PRO A 16 5.675 1.761 8.898 1.00 0.00 C ATOM 0 HA PRO A 16 3.778 2.369 11.478 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.714 4.657 10.212 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.807 3.612 11.097 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.289 3.733 8.133 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.817 3.581 8.977 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.581 1.424 7.866 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.557 1.274 9.313 1.00 0.00 H new ATOM 203 N SER A 17 1.811 3.632 10.782 1.00 0.00 N ATOM 204 CA SER A 17 0.519 4.179 10.386 1.00 0.00 C ATOM 205 C SER A 17 0.659 5.062 9.149 1.00 0.00 C ATOM 206 O SER A 17 -0.266 5.176 8.346 1.00 0.00 O ATOM 207 CB SER A 17 -0.091 4.985 11.534 1.00 0.00 C ATOM 208 OG SER A 17 0.672 6.148 11.804 1.00 0.00 O ATOM 0 H SER A 17 1.983 3.643 11.787 1.00 0.00 H new ATOM 0 HA SER A 17 -0.141 3.346 10.145 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.113 5.268 11.281 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.144 4.365 12.429 1.00 0.00 H new ATOM 0 HG SER A 17 0.260 6.646 12.540 1.00 0.00 H new ATOM 214 N ALA A 18 1.825 5.684 9.003 1.00 0.00 N ATOM 215 CA ALA A 18 2.088 6.555 7.864 1.00 0.00 C ATOM 216 C ALA A 18 3.564 6.526 7.481 1.00 0.00 C ATOM 217 O ALA A 18 4.404 6.050 8.246 1.00 0.00 O ATOM 218 CB ALA A 18 1.649 7.978 8.175 1.00 0.00 C ATOM 0 H ALA A 18 2.602 5.601 9.659 1.00 0.00 H new ATOM 0 HA ALA A 18 1.512 6.187 7.015 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.851 8.617 7.316 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.581 7.990 8.393 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.200 8.348 9.040 1.00 0.00 H new ATOM 224 N CYS A 19 3.872 7.036 6.294 1.00 0.00 N ATOM 225 CA CYS A 19 5.247 7.067 5.809 1.00 0.00 C ATOM 226 C CYS A 19 5.455 8.224 4.836 1.00 0.00 C ATOM 227 O CYS A 19 4.495 8.854 4.392 1.00 0.00 O ATOM 228 CB CYS A 19 5.600 5.744 5.129 1.00 0.00 C ATOM 229 SG CYS A 19 7.377 5.448 4.967 1.00 0.00 S ATOM 0 H CYS A 19 3.188 7.434 5.650 1.00 0.00 H new ATOM 0 HA CYS A 19 5.905 7.214 6.666 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.157 4.926 5.697 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.148 5.725 4.138 1.00 0.00 H new ATOM 0 HG CYS A 19 7.624 4.913 3.808 1.00 0.00 H new ATOM 235 N SER A 20 6.714 8.498 4.511 1.00 0.00 N ATOM 236 CA SER A 20 7.048 9.582 3.594 1.00 0.00 C ATOM 237 C SER A 20 6.655 9.225 2.164 1.00 0.00 C ATOM 238 O SER A 20 6.523 8.051 1.819 1.00 0.00 O ATOM 239 CB SER A 20 8.544 9.892 3.662 1.00 0.00 C ATOM 240 OG SER A 20 8.914 10.341 4.954 1.00 0.00 O ATOM 0 H SER A 20 7.520 7.985 4.869 1.00 0.00 H new ATOM 0 HA SER A 20 6.487 10.466 3.896 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.115 9.000 3.406 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.795 10.653 2.923 1.00 0.00 H new ATOM 0 HG SER A 20 9.875 10.531 4.972 1.00 0.00 H new ATOM 246 N VAL A 21 6.470 10.248 1.335 1.00 0.00 N ATOM 247 CA VAL A 21 6.093 10.044 -0.058 1.00 0.00 C ATOM 248 C VAL A 21 7.198 9.329 -0.827 1.00 0.00 C ATOM 249 O VAL A 21 6.930 8.581 -1.768 1.00 0.00 O ATOM 250 CB VAL A 21 5.780 11.381 -0.756 1.00 0.00 C ATOM 251 CG1 VAL A 21 4.597 12.067 -0.090 1.00 0.00 C ATOM 252 CG2 VAL A 21 7.004 12.284 -0.751 1.00 0.00 C ATOM 0 H VAL A 21 6.575 11.226 1.605 1.00 0.00 H new ATOM 0 HA VAL A 21 5.196 9.425 -0.056 1.00 0.00 H new ATOM 0 HB VAL A 21 5.513 11.176 -1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.391 13.010 -0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.720 11.422 -0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.831 12.261 0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.765 13.224 -1.248 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.305 12.484 0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.821 11.792 -1.279 1.00 0.00 H new ATOM 262 N ARG A 22 8.442 9.562 -0.420 1.00 0.00 N ATOM 263 CA ARG A 22 9.588 8.941 -1.071 1.00 0.00 C ATOM 264 C ARG A 22 9.549 7.424 -0.909 1.00 0.00 C ATOM 265 O ARG A 22 10.077 6.687 -1.741 1.00 0.00 O ATOM 266 CB ARG A 22 10.892 9.493 -0.492 1.00 0.00 C ATOM 267 CG ARG A 22 11.051 9.241 0.999 1.00 0.00 C ATOM 268 CD ARG A 22 12.512 9.278 1.417 1.00 0.00 C ATOM 269 NE ARG A 22 13.094 10.608 1.257 1.00 0.00 N ATOM 270 CZ ARG A 22 14.401 10.846 1.273 1.00 0.00 C ATOM 271 NH1 ARG A 22 15.257 9.848 1.440 1.00 0.00 N ATOM 272 NH2 ARG A 22 14.853 12.084 1.121 1.00 0.00 N ATOM 0 H ARG A 22 8.681 10.177 0.358 1.00 0.00 H new ATOM 0 HA ARG A 22 9.542 9.177 -2.134 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.733 9.043 -1.020 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.936 10.566 -0.677 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.492 9.992 1.558 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.623 8.271 1.253 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.599 8.967 2.458 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.078 8.561 0.822 1.00 0.00 H new ATOM 0 HE ARG A 22 12.462 11.398 1.126 1.00 0.00 H new ATOM 0 HH11 ARG A 22 14.913 8.895 1.557 1.00 0.00 H new ATOM 0 HH12 ARG A 22 16.260 10.033 1.452 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.197 12.854 0.992 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.857 12.266 1.133 1.00 0.00 H new ATOM 286 N GLY A 23 8.920 6.965 0.168 1.00 0.00 N ATOM 287 CA GLY A 23 8.825 5.539 0.420 1.00 0.00 C ATOM 288 C GLY A 23 10.162 4.923 0.780 1.00 0.00 C ATOM 289 O GLY A 23 10.905 5.467 1.595 1.00 0.00 O ATOM 0 H GLY A 23 8.474 7.555 0.871 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.117 5.363 1.230 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.426 5.043 -0.465 1.00 0.00 H new ATOM 293 N GLY A 24 10.469 3.781 0.171 1.00 0.00 N ATOM 294 CA GLY A 24 11.725 3.108 0.446 1.00 0.00 C ATOM 295 C GLY A 24 11.882 2.750 1.910 1.00 0.00 C ATOM 296 O GLY A 24 12.981 2.823 2.459 1.00 0.00 O ATOM 0 H GLY A 24 9.870 3.310 -0.508 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.787 2.201 -0.155 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.552 3.750 0.141 1.00 0.00 H new ATOM 300 N GLU A 25 10.780 2.362 2.545 1.00 0.00 N ATOM 301 CA GLU A 25 10.801 1.993 3.955 1.00 0.00 C ATOM 302 C GLU A 25 10.240 0.589 4.159 1.00 0.00 C ATOM 303 O GLU A 25 9.720 -0.023 3.227 1.00 0.00 O ATOM 304 CB GLU A 25 9.997 3.000 4.780 1.00 0.00 C ATOM 305 CG GLU A 25 10.704 4.331 4.975 1.00 0.00 C ATOM 306 CD GLU A 25 11.631 4.329 6.175 1.00 0.00 C ATOM 307 OE1 GLU A 25 11.143 4.558 7.301 1.00 0.00 O ATOM 308 OE2 GLU A 25 12.844 4.098 5.987 1.00 0.00 O ATOM 0 H GLU A 25 9.862 2.295 2.105 1.00 0.00 H new ATOM 0 HA GLU A 25 11.838 2.003 4.291 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.039 3.175 4.290 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.781 2.567 5.757 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.277 4.569 4.079 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.960 5.119 5.096 1.00 0.00 H new ATOM 315 N GLU A 26 10.352 0.085 5.384 1.00 0.00 N ATOM 316 CA GLU A 26 9.857 -1.247 5.710 1.00 0.00 C ATOM 317 C GLU A 26 8.422 -1.184 6.223 1.00 0.00 C ATOM 318 O GLU A 26 8.179 -0.834 7.379 1.00 0.00 O ATOM 319 CB GLU A 26 10.757 -1.907 6.757 1.00 0.00 C ATOM 320 CG GLU A 26 10.418 -3.365 7.018 1.00 0.00 C ATOM 321 CD GLU A 26 11.307 -3.991 8.075 1.00 0.00 C ATOM 322 OE1 GLU A 26 11.666 -3.286 9.042 1.00 0.00 O ATOM 323 OE2 GLU A 26 11.644 -5.185 7.936 1.00 0.00 O ATOM 0 H GLU A 26 10.781 0.579 6.167 1.00 0.00 H new ATOM 0 HA GLU A 26 9.872 -1.846 4.799 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.794 -1.837 6.429 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.680 -1.352 7.692 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.377 -3.441 7.332 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.513 -3.928 6.089 1.00 0.00 H new ATOM 330 N LEU A 27 7.475 -1.526 5.357 1.00 0.00 N ATOM 331 CA LEU A 27 6.062 -1.508 5.721 1.00 0.00 C ATOM 332 C LEU A 27 5.575 -2.909 6.080 1.00 0.00 C ATOM 333 O LEU A 27 5.617 -3.822 5.256 1.00 0.00 O ATOM 334 CB LEU A 27 5.225 -0.943 4.572 1.00 0.00 C ATOM 335 CG LEU A 27 3.712 -0.927 4.789 1.00 0.00 C ATOM 336 CD1 LEU A 27 3.344 0.032 5.911 1.00 0.00 C ATOM 337 CD2 LEU A 27 2.993 -0.546 3.502 1.00 0.00 C ATOM 0 H LEU A 27 7.659 -1.819 4.398 1.00 0.00 H new ATOM 0 HA LEU A 27 5.945 -0.867 6.595 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.555 0.077 4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.437 -1.524 3.675 1.00 0.00 H new ATOM 0 HG LEU A 27 3.394 -1.929 5.077 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.263 0.030 6.051 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.830 -0.284 6.834 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.675 1.038 5.653 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.917 -0.540 3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.316 0.446 3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.231 -1.271 2.724 1.00 0.00 H new ATOM 349 N VAL A 28 5.110 -3.070 7.315 1.00 0.00 N ATOM 350 CA VAL A 28 4.611 -4.358 7.782 1.00 0.00 C ATOM 351 C VAL A 28 3.092 -4.344 7.912 1.00 0.00 C ATOM 352 O VAL A 28 2.529 -3.539 8.654 1.00 0.00 O ATOM 353 CB VAL A 28 5.228 -4.740 9.140 1.00 0.00 C ATOM 354 CG1 VAL A 28 4.663 -6.064 9.630 1.00 0.00 C ATOM 355 CG2 VAL A 28 6.745 -4.803 9.037 1.00 0.00 C ATOM 0 H VAL A 28 5.069 -2.325 8.010 1.00 0.00 H new ATOM 0 HA VAL A 28 4.902 -5.099 7.038 1.00 0.00 H new ATOM 0 HB VAL A 28 4.968 -3.971 9.867 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.111 -6.317 10.591 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.582 -5.978 9.745 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.890 -6.847 8.906 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.165 -5.074 10.006 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.029 -5.551 8.296 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.130 -3.829 8.735 1.00 0.00 H new ATOM 365 N LEU A 29 2.434 -5.242 7.186 1.00 0.00 N ATOM 366 CA LEU A 29 0.979 -5.334 7.220 1.00 0.00 C ATOM 367 C LEU A 29 0.527 -6.498 8.097 1.00 0.00 C ATOM 368 O LEU A 29 0.855 -7.655 7.831 1.00 0.00 O ATOM 369 CB LEU A 29 0.425 -5.504 5.804 1.00 0.00 C ATOM 370 CG LEU A 29 0.595 -4.306 4.869 1.00 0.00 C ATOM 371 CD1 LEU A 29 0.600 -4.759 3.417 1.00 0.00 C ATOM 372 CD2 LEU A 29 -0.507 -3.284 5.107 1.00 0.00 C ATOM 0 H LEU A 29 2.885 -5.916 6.567 1.00 0.00 H new ATOM 0 HA LEU A 29 0.592 -4.409 7.647 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.909 -6.367 5.347 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.638 -5.735 5.876 1.00 0.00 H new ATOM 0 HG LEU A 29 1.554 -3.834 5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.722 -3.893 2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.424 -5.453 3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.343 -5.256 3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.370 -2.438 4.433 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.477 -3.744 4.919 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.464 -2.936 6.139 1.00 0.00 H new ATOM 384 N THR A 30 -0.229 -6.184 9.145 1.00 0.00 N ATOM 385 CA THR A 30 -0.726 -7.202 10.061 1.00 0.00 C ATOM 386 C THR A 30 -2.081 -7.735 9.608 1.00 0.00 C ATOM 387 O THR A 30 -2.919 -6.984 9.111 1.00 0.00 O ATOM 388 CB THR A 30 -0.857 -6.653 11.494 1.00 0.00 C ATOM 389 OG1 THR A 30 0.405 -6.145 11.941 1.00 0.00 O ATOM 390 CG2 THR A 30 -1.339 -7.736 12.447 1.00 0.00 C ATOM 0 H THR A 30 -0.510 -5.232 9.380 1.00 0.00 H new ATOM 0 HA THR A 30 0.001 -8.014 10.056 1.00 0.00 H new ATOM 0 HB THR A 30 -1.591 -5.847 11.485 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.313 -5.796 12.852 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.424 -7.324 13.453 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.313 -8.100 12.121 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.626 -8.560 12.451 1.00 0.00 H new ATOM 398 N GLY A 31 -2.289 -9.036 9.784 1.00 0.00 N ATOM 399 CA GLY A 31 -3.545 -9.647 9.388 1.00 0.00 C ATOM 400 C GLY A 31 -3.484 -11.161 9.407 1.00 0.00 C ATOM 401 O GLY A 31 -2.791 -11.751 10.236 1.00 0.00 O ATOM 0 H GLY A 31 -1.611 -9.678 10.194 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.336 -9.310 10.057 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.810 -9.310 8.386 1.00 0.00 H new ATOM 405 N SER A 32 -4.214 -11.793 8.493 1.00 0.00 N ATOM 406 CA SER A 32 -4.245 -13.249 8.412 1.00 0.00 C ATOM 407 C SER A 32 -4.760 -13.706 7.051 1.00 0.00 C ATOM 408 O SER A 32 -5.359 -12.929 6.309 1.00 0.00 O ATOM 409 CB SER A 32 -5.126 -13.824 9.523 1.00 0.00 C ATOM 410 OG SER A 32 -6.437 -13.288 9.463 1.00 0.00 O ATOM 0 H SER A 32 -4.792 -11.320 7.798 1.00 0.00 H new ATOM 0 HA SER A 32 -3.227 -13.617 8.538 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.169 -14.909 9.432 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.683 -13.602 10.494 1.00 0.00 H new ATOM 0 HG SER A 32 -6.981 -13.672 10.182 1.00 0.00 H new ATOM 416 N ASN A 33 -4.521 -14.974 6.731 1.00 0.00 N ATOM 417 CA ASN A 33 -4.960 -15.536 5.459 1.00 0.00 C ATOM 418 C ASN A 33 -4.300 -14.814 4.288 1.00 0.00 C ATOM 419 O ASN A 33 -4.973 -14.378 3.354 1.00 0.00 O ATOM 420 CB ASN A 33 -6.482 -15.446 5.335 1.00 0.00 C ATOM 421 CG ASN A 33 -7.188 -16.584 6.047 1.00 0.00 C ATOM 422 OD1 ASN A 33 -7.110 -16.710 7.269 1.00 0.00 O ATOM 423 ND2 ASN A 33 -7.883 -17.419 5.283 1.00 0.00 N ATOM 0 H ASN A 33 -4.026 -15.631 7.334 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.661 -16.584 5.432 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.822 -14.496 5.748 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.759 -15.453 4.281 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.380 -18.203 5.706 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.920 -17.276 4.274 1.00 0.00 H new ATOM 430 N PHE A 34 -2.978 -14.691 4.345 1.00 0.00 N ATOM 431 CA PHE A 34 -2.226 -14.022 3.290 1.00 0.00 C ATOM 432 C PHE A 34 -1.643 -15.035 2.310 1.00 0.00 C ATOM 433 O PHE A 34 -1.703 -16.244 2.540 1.00 0.00 O ATOM 434 CB PHE A 34 -1.103 -13.175 3.894 1.00 0.00 C ATOM 435 CG PHE A 34 -1.575 -11.865 4.455 1.00 0.00 C ATOM 436 CD1 PHE A 34 -2.437 -11.056 3.731 1.00 0.00 C ATOM 437 CD2 PHE A 34 -1.158 -11.441 5.706 1.00 0.00 C ATOM 438 CE1 PHE A 34 -2.874 -9.849 4.244 1.00 0.00 C ATOM 439 CE2 PHE A 34 -1.591 -10.236 6.225 1.00 0.00 C ATOM 440 CZ PHE A 34 -2.450 -9.438 5.493 1.00 0.00 C ATOM 0 H PHE A 34 -2.405 -15.046 5.111 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.911 -13.371 2.747 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.614 -13.745 4.685 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.351 -12.983 3.128 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.771 -11.373 2.754 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.486 -12.060 6.283 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.546 -9.228 3.669 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.258 -9.918 7.202 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.789 -8.495 5.897 1.00 0.00 H new ATOM 450 N LEU A 35 -1.081 -14.535 1.216 1.00 0.00 N ATOM 451 CA LEU A 35 -0.487 -15.396 0.199 1.00 0.00 C ATOM 452 C LEU A 35 0.994 -15.080 0.014 1.00 0.00 C ATOM 453 O LEU A 35 1.438 -13.945 0.190 1.00 0.00 O ATOM 454 CB LEU A 35 -1.225 -15.232 -1.131 1.00 0.00 C ATOM 455 CG LEU A 35 -2.517 -16.034 -1.285 1.00 0.00 C ATOM 456 CD1 LEU A 35 -3.492 -15.307 -2.198 1.00 0.00 C ATOM 457 CD2 LEU A 35 -2.219 -17.427 -1.821 1.00 0.00 C ATOM 0 H LEU A 35 -1.024 -13.538 1.010 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.580 -16.429 0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.458 -14.176 -1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.547 -15.514 -1.937 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.978 -16.135 -0.303 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.406 -15.893 -2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.730 -14.332 -1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.040 -15.174 -3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.150 -17.984 -1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.734 -17.346 -2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.559 -17.950 -1.129 1.00 0.00 H new ATOM 469 N PRO A 36 1.777 -16.105 -0.351 1.00 0.00 N ATOM 470 CA PRO A 36 3.219 -15.961 -0.571 1.00 0.00 C ATOM 471 C PRO A 36 3.537 -15.146 -1.820 1.00 0.00 C ATOM 472 O PRO A 36 4.679 -14.739 -2.033 1.00 0.00 O ATOM 473 CB PRO A 36 3.699 -17.405 -0.738 1.00 0.00 C ATOM 474 CG PRO A 36 2.502 -18.148 -1.222 1.00 0.00 C ATOM 475 CD PRO A 36 1.315 -17.485 -0.579 1.00 0.00 C ATOM 0 HA PRO A 36 3.704 -15.428 0.247 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.520 -17.469 -1.452 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.064 -17.813 0.205 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.430 -18.107 -2.309 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.558 -19.201 -0.946 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.439 -17.514 -1.227 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.037 -17.975 0.354 1.00 0.00 H new ATOM 483 N ASP A 37 2.520 -14.911 -2.642 1.00 0.00 N ATOM 484 CA ASP A 37 2.690 -14.143 -3.869 1.00 0.00 C ATOM 485 C ASP A 37 1.587 -13.099 -4.015 1.00 0.00 C ATOM 486 O ASP A 37 1.218 -12.723 -5.128 1.00 0.00 O ATOM 487 CB ASP A 37 2.692 -15.074 -5.083 1.00 0.00 C ATOM 488 CG ASP A 37 3.645 -16.241 -4.916 1.00 0.00 C ATOM 489 OD1 ASP A 37 3.220 -17.282 -4.372 1.00 0.00 O ATOM 490 OD2 ASP A 37 4.817 -16.114 -5.329 1.00 0.00 O ATOM 0 H ASP A 37 1.569 -15.242 -2.480 1.00 0.00 H new ATOM 0 HA ASP A 37 3.649 -13.627 -3.815 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.683 -15.453 -5.248 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.969 -14.507 -5.972 1.00 0.00 H new ATOM 495 N SER A 38 1.064 -12.637 -2.884 1.00 0.00 N ATOM 496 CA SER A 38 0.000 -11.640 -2.886 1.00 0.00 C ATOM 497 C SER A 38 0.375 -10.446 -3.758 1.00 0.00 C ATOM 498 O SER A 38 1.516 -10.320 -4.203 1.00 0.00 O ATOM 499 CB SER A 38 -0.292 -11.172 -1.459 1.00 0.00 C ATOM 500 OG SER A 38 -1.289 -11.976 -0.852 1.00 0.00 O ATOM 0 H SER A 38 1.360 -12.937 -1.955 1.00 0.00 H new ATOM 0 HA SER A 38 -0.896 -12.102 -3.300 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.622 -11.211 -0.866 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.618 -10.132 -1.474 1.00 0.00 H new ATOM 0 HG SER A 38 -1.456 -11.657 0.059 1.00 0.00 H new ATOM 506 N LYS A 39 -0.595 -9.570 -4.000 1.00 0.00 N ATOM 507 CA LYS A 39 -0.369 -8.384 -4.818 1.00 0.00 C ATOM 508 C LYS A 39 -0.854 -7.128 -4.101 1.00 0.00 C ATOM 509 O LYS A 39 -1.984 -7.077 -3.614 1.00 0.00 O ATOM 510 CB LYS A 39 -1.084 -8.524 -6.164 1.00 0.00 C ATOM 511 CG LYS A 39 -0.479 -9.586 -7.066 1.00 0.00 C ATOM 512 CD LYS A 39 -0.997 -10.972 -6.723 1.00 0.00 C ATOM 513 CE LYS A 39 -2.318 -11.262 -7.420 1.00 0.00 C ATOM 514 NZ LYS A 39 -2.120 -11.652 -8.843 1.00 0.00 N ATOM 0 H LYS A 39 -1.546 -9.659 -3.641 1.00 0.00 H new ATOM 0 HA LYS A 39 0.703 -8.291 -4.991 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.132 -8.764 -5.986 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.060 -7.564 -6.680 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.712 -9.357 -8.106 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.607 -9.569 -6.972 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.259 -11.720 -7.014 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.128 -11.056 -5.644 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.839 -12.062 -6.893 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.956 -10.380 -7.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.043 -11.841 -9.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.646 -10.879 -9.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.532 -12.509 -8.890 1.00 0.00 H new ATOM 528 N VAL A 40 0.006 -6.117 -4.041 1.00 0.00 N ATOM 529 CA VAL A 40 -0.336 -4.860 -3.386 1.00 0.00 C ATOM 530 C VAL A 40 -0.212 -3.686 -4.350 1.00 0.00 C ATOM 531 O VAL A 40 0.861 -3.426 -4.895 1.00 0.00 O ATOM 532 CB VAL A 40 0.564 -4.602 -2.162 1.00 0.00 C ATOM 533 CG1 VAL A 40 0.194 -3.286 -1.495 1.00 0.00 C ATOM 534 CG2 VAL A 40 0.465 -5.756 -1.176 1.00 0.00 C ATOM 0 H VAL A 40 0.945 -6.144 -4.438 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.371 -4.947 -3.055 1.00 0.00 H new ATOM 0 HB VAL A 40 1.598 -4.531 -2.501 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.840 -3.121 -0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.321 -2.469 -2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.845 -3.323 -1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.107 -5.557 -0.318 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.567 -5.861 -0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.784 -6.678 -1.662 1.00 0.00 H new ATOM 544 N VAL A 41 -1.319 -2.979 -4.558 1.00 0.00 N ATOM 545 CA VAL A 41 -1.335 -1.831 -5.456 1.00 0.00 C ATOM 546 C VAL A 41 -1.910 -0.600 -4.764 1.00 0.00 C ATOM 547 O VAL A 41 -2.800 -0.708 -3.920 1.00 0.00 O ATOM 548 CB VAL A 41 -2.156 -2.123 -6.726 1.00 0.00 C ATOM 549 CG1 VAL A 41 -1.739 -3.452 -7.337 1.00 0.00 C ATOM 550 CG2 VAL A 41 -3.644 -2.114 -6.412 1.00 0.00 C ATOM 0 H VAL A 41 -2.216 -3.182 -4.117 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.300 -1.636 -5.738 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.958 -1.337 -7.455 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.330 -3.642 -8.233 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.682 -3.416 -7.600 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.906 -4.252 -6.616 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.209 -2.322 -7.321 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.863 -2.878 -5.666 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.928 -1.136 -6.024 1.00 0.00 H new ATOM 560 N PHE A 42 -1.396 0.570 -5.127 1.00 0.00 N ATOM 561 CA PHE A 42 -1.858 1.823 -4.541 1.00 0.00 C ATOM 562 C PHE A 42 -2.741 2.590 -5.522 1.00 0.00 C ATOM 563 O PHE A 42 -2.698 2.350 -6.729 1.00 0.00 O ATOM 564 CB PHE A 42 -0.666 2.688 -4.127 1.00 0.00 C ATOM 565 CG PHE A 42 0.008 2.217 -2.871 1.00 0.00 C ATOM 566 CD1 PHE A 42 0.603 0.967 -2.815 1.00 0.00 C ATOM 567 CD2 PHE A 42 0.048 3.024 -1.745 1.00 0.00 C ATOM 568 CE1 PHE A 42 1.224 0.531 -1.659 1.00 0.00 C ATOM 569 CE2 PHE A 42 0.667 2.594 -0.587 1.00 0.00 C ATOM 570 CZ PHE A 42 1.257 1.346 -0.544 1.00 0.00 C ATOM 0 H PHE A 42 -0.659 0.677 -5.824 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.449 1.585 -3.657 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.062 2.701 -4.938 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.004 3.715 -3.986 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.582 0.326 -3.684 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.411 4.001 -1.773 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.683 -0.446 -1.628 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.689 3.233 0.283 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.743 1.008 0.359 1.00 0.00 H new ATOM 580 N ILE A 43 -3.539 3.512 -4.995 1.00 0.00 N ATOM 581 CA ILE A 43 -4.431 4.313 -5.823 1.00 0.00 C ATOM 582 C ILE A 43 -4.348 5.790 -5.451 1.00 0.00 C ATOM 583 O ILE A 43 -3.756 6.151 -4.434 1.00 0.00 O ATOM 584 CB ILE A 43 -5.892 3.845 -5.695 1.00 0.00 C ATOM 585 CG1 ILE A 43 -6.341 3.897 -4.233 1.00 0.00 C ATOM 586 CG2 ILE A 43 -6.048 2.438 -6.253 1.00 0.00 C ATOM 587 CD1 ILE A 43 -7.825 3.670 -4.048 1.00 0.00 C ATOM 0 H ILE A 43 -3.586 3.723 -3.998 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.106 4.181 -6.855 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.525 4.517 -6.274 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.793 3.144 -3.666 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.075 4.868 -3.814 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.086 2.121 -6.155 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.764 2.430 -7.305 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.406 1.753 -5.699 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.071 3.721 -2.987 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.380 4.438 -4.587 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.094 2.688 -4.436 1.00 0.00 H new ATOM 599 N GLU A 44 -4.946 6.639 -6.281 1.00 0.00 N ATOM 600 CA GLU A 44 -4.941 8.076 -6.037 1.00 0.00 C ATOM 601 C GLU A 44 -6.191 8.731 -6.617 1.00 0.00 C ATOM 602 O GLU A 44 -6.563 8.477 -7.762 1.00 0.00 O ATOM 603 CB GLU A 44 -3.689 8.714 -6.644 1.00 0.00 C ATOM 604 CG GLU A 44 -3.717 10.233 -6.641 1.00 0.00 C ATOM 605 CD GLU A 44 -2.802 10.836 -7.689 1.00 0.00 C ATOM 606 OE1 GLU A 44 -1.850 10.146 -8.111 1.00 0.00 O ATOM 607 OE2 GLU A 44 -3.036 11.996 -8.086 1.00 0.00 O ATOM 0 H GLU A 44 -5.440 6.356 -7.128 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.936 8.236 -4.959 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.814 8.374 -6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.574 8.363 -7.670 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.737 10.574 -6.816 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.424 10.596 -5.656 1.00 0.00 H new ATOM 614 N ARG A 45 -6.835 9.575 -5.817 1.00 0.00 N ATOM 615 CA ARG A 45 -8.044 10.265 -6.249 1.00 0.00 C ATOM 616 C ARG A 45 -7.709 11.634 -6.834 1.00 0.00 C ATOM 617 O ARG A 45 -6.915 12.385 -6.269 1.00 0.00 O ATOM 618 CB ARG A 45 -9.013 10.424 -5.075 1.00 0.00 C ATOM 619 CG ARG A 45 -9.537 9.103 -4.536 1.00 0.00 C ATOM 620 CD ARG A 45 -9.857 9.196 -3.052 1.00 0.00 C ATOM 621 NE ARG A 45 -10.653 8.061 -2.592 1.00 0.00 N ATOM 622 CZ ARG A 45 -11.440 8.101 -1.522 1.00 0.00 C ATOM 623 NH1 ARG A 45 -11.536 9.213 -0.807 1.00 0.00 N ATOM 624 NH2 ARG A 45 -12.134 7.027 -1.167 1.00 0.00 N ATOM 0 H ARG A 45 -6.539 9.797 -4.866 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.518 9.663 -7.024 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.511 10.962 -4.271 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.856 11.038 -5.391 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.433 8.814 -5.085 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.796 8.321 -4.701 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.928 9.242 -2.483 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.398 10.122 -2.855 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.602 7.190 -3.121 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.005 10.041 -1.078 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.141 9.241 0.014 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -12.064 6.170 -1.716 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.738 7.059 -0.346 1.00 0.00 H new ATOM 638 N GLY A 46 -8.320 11.951 -7.972 1.00 0.00 N ATOM 639 CA GLY A 46 -8.073 13.228 -8.616 1.00 0.00 C ATOM 640 C GLY A 46 -9.242 14.182 -8.478 1.00 0.00 C ATOM 641 O GLY A 46 -10.331 13.806 -8.043 1.00 0.00 O ATOM 0 H GLY A 46 -8.981 11.346 -8.459 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.183 13.684 -8.183 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -7.865 13.064 -9.673 1.00 0.00 H new ATOM 645 N PRO A 47 -9.023 15.451 -8.853 1.00 0.00 N ATOM 646 CA PRO A 47 -10.056 16.489 -8.777 1.00 0.00 C ATOM 647 C PRO A 47 -11.168 16.276 -9.799 1.00 0.00 C ATOM 648 O PRO A 47 -12.129 17.043 -9.853 1.00 0.00 O ATOM 649 CB PRO A 47 -9.288 17.777 -9.084 1.00 0.00 C ATOM 650 CG PRO A 47 -8.117 17.336 -9.893 1.00 0.00 C ATOM 651 CD PRO A 47 -7.750 15.970 -9.381 1.00 0.00 C ATOM 0 HA PRO A 47 -10.557 16.495 -7.809 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -9.907 18.485 -9.636 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.971 18.277 -8.169 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.366 17.301 -10.954 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.284 18.030 -9.784 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.356 15.336 -10.175 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.985 16.023 -8.606 1.00 0.00 H new ATOM 659 N ASP A 48 -11.031 15.229 -10.605 1.00 0.00 N ATOM 660 CA ASP A 48 -12.026 14.914 -11.624 1.00 0.00 C ATOM 661 C ASP A 48 -13.190 14.132 -11.024 1.00 0.00 C ATOM 662 O ASP A 48 -14.351 14.390 -11.336 1.00 0.00 O ATOM 663 CB ASP A 48 -11.388 14.112 -12.760 1.00 0.00 C ATOM 664 CG ASP A 48 -10.323 14.900 -13.497 1.00 0.00 C ATOM 665 OD1 ASP A 48 -10.687 15.825 -14.253 1.00 0.00 O ATOM 666 OD2 ASP A 48 -9.126 14.591 -13.320 1.00 0.00 O ATOM 0 H ASP A 48 -10.241 14.584 -10.573 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.410 15.853 -12.024 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.947 13.201 -12.355 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.162 13.806 -13.464 1.00 0.00 H new ATOM 671 N GLY A 49 -12.869 13.173 -10.160 1.00 0.00 N ATOM 672 CA GLY A 49 -13.899 12.367 -9.531 1.00 0.00 C ATOM 673 C GLY A 49 -13.527 10.898 -9.468 1.00 0.00 C ATOM 674 O GLY A 49 -13.992 10.170 -8.591 1.00 0.00 O ATOM 0 H GLY A 49 -11.915 12.940 -9.885 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.080 12.737 -8.522 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.832 12.479 -10.083 1.00 0.00 H new ATOM 678 N LYS A 50 -12.689 10.461 -10.401 1.00 0.00 N ATOM 679 CA LYS A 50 -12.255 9.070 -10.449 1.00 0.00 C ATOM 680 C LYS A 50 -10.761 8.956 -10.163 1.00 0.00 C ATOM 681 O LYS A 50 -9.975 9.816 -10.561 1.00 0.00 O ATOM 682 CB LYS A 50 -12.571 8.463 -11.818 1.00 0.00 C ATOM 683 CG LYS A 50 -11.948 9.221 -12.978 1.00 0.00 C ATOM 684 CD LYS A 50 -12.757 9.052 -14.253 1.00 0.00 C ATOM 685 CE LYS A 50 -11.927 9.374 -15.486 1.00 0.00 C ATOM 686 NZ LYS A 50 -12.391 8.614 -16.681 1.00 0.00 N ATOM 0 H LYS A 50 -12.296 11.050 -11.135 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.797 8.519 -9.680 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -12.220 7.431 -11.839 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.652 8.434 -11.953 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.879 10.280 -12.727 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.931 8.866 -13.142 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.126 8.028 -14.318 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.630 9.704 -14.220 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.982 10.443 -15.692 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.880 9.140 -15.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.800 8.861 -17.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.315 7.594 -16.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.382 8.856 -16.883 1.00 0.00 H new ATOM 700 N LEU A 51 -10.375 7.888 -9.473 1.00 0.00 N ATOM 701 CA LEU A 51 -8.974 7.660 -9.135 1.00 0.00 C ATOM 702 C LEU A 51 -8.297 6.786 -10.185 1.00 0.00 C ATOM 703 O LEU A 51 -8.892 5.837 -10.694 1.00 0.00 O ATOM 704 CB LEU A 51 -8.862 7.004 -7.758 1.00 0.00 C ATOM 705 CG LEU A 51 -9.770 5.799 -7.513 1.00 0.00 C ATOM 706 CD1 LEU A 51 -9.402 4.655 -8.445 1.00 0.00 C ATOM 707 CD2 LEU A 51 -9.684 5.353 -6.060 1.00 0.00 C ATOM 0 H LEU A 51 -11.013 7.166 -9.137 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.469 8.625 -9.112 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.828 6.691 -7.610 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.079 7.757 -7.000 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.798 6.095 -7.722 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.059 3.806 -8.256 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.515 4.978 -9.480 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.368 4.360 -8.268 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.337 4.494 -5.904 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.657 5.075 -5.825 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.997 6.170 -5.410 1.00 0.00 H new ATOM 719 N GLN A 52 -7.047 7.111 -10.502 1.00 0.00 N ATOM 720 CA GLN A 52 -6.288 6.354 -11.490 1.00 0.00 C ATOM 721 C GLN A 52 -4.791 6.446 -11.214 1.00 0.00 C ATOM 722 O GLN A 52 -4.165 7.473 -11.474 1.00 0.00 O ATOM 723 CB GLN A 52 -6.592 6.866 -12.899 1.00 0.00 C ATOM 724 CG GLN A 52 -8.008 6.566 -13.363 1.00 0.00 C ATOM 725 CD GLN A 52 -8.120 6.471 -14.872 1.00 0.00 C ATOM 726 OE1 GLN A 52 -8.024 7.475 -15.578 1.00 0.00 O ATOM 727 NE2 GLN A 52 -8.323 5.259 -15.375 1.00 0.00 N ATOM 0 H GLN A 52 -6.539 7.893 -10.089 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.588 5.309 -11.419 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.430 7.943 -12.928 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.887 6.419 -13.599 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.341 5.628 -12.918 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.678 7.346 -13.001 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.396 4.454 -14.753 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.406 5.133 -16.384 1.00 0.00 H new ATOM 736 N TRP A 53 -4.225 5.367 -10.686 1.00 0.00 N ATOM 737 CA TRP A 53 -2.800 5.327 -10.374 1.00 0.00 C ATOM 738 C TRP A 53 -2.268 3.900 -10.442 1.00 0.00 C ATOM 739 O TRP A 53 -2.660 3.044 -9.649 1.00 0.00 O ATOM 740 CB TRP A 53 -2.545 5.914 -8.985 1.00 0.00 C ATOM 741 CG TRP A 53 -1.102 6.232 -8.731 1.00 0.00 C ATOM 742 CD1 TRP A 53 -0.187 6.672 -9.644 1.00 0.00 C ATOM 743 CD2 TRP A 53 -0.410 6.132 -7.481 1.00 0.00 C ATOM 744 NE1 TRP A 53 1.033 6.852 -9.037 1.00 0.00 N ATOM 745 CE2 TRP A 53 0.922 6.529 -7.711 1.00 0.00 C ATOM 746 CE3 TRP A 53 -0.786 5.749 -6.191 1.00 0.00 C ATOM 747 CZ2 TRP A 53 1.877 6.550 -6.697 1.00 0.00 C ATOM 748 CZ3 TRP A 53 0.162 5.771 -5.187 1.00 0.00 C ATOM 749 CH2 TRP A 53 1.481 6.170 -5.444 1.00 0.00 C ATOM 0 H TRP A 53 -4.730 4.509 -10.465 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.274 5.927 -11.116 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.136 6.822 -8.868 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -2.893 5.208 -8.231 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.392 6.852 -10.689 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.883 7.174 -9.499 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -1.800 5.441 -5.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.894 6.856 -6.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.118 5.476 -4.187 1.00 0.00 H new ATOM 0 HH2 TRP A 53 2.199 6.178 -4.637 1.00 0.00 H new ATOM 760 N GLU A 54 -1.374 3.651 -11.394 1.00 0.00 N ATOM 761 CA GLU A 54 -0.790 2.326 -11.564 1.00 0.00 C ATOM 762 C GLU A 54 0.655 2.302 -11.075 1.00 0.00 C ATOM 763 O GLU A 54 1.562 2.767 -11.764 1.00 0.00 O ATOM 764 CB GLU A 54 -0.850 1.902 -13.033 1.00 0.00 C ATOM 765 CG GLU A 54 -0.444 0.457 -13.267 1.00 0.00 C ATOM 766 CD GLU A 54 -0.408 0.092 -14.738 1.00 0.00 C ATOM 767 OE1 GLU A 54 -1.385 0.401 -15.451 1.00 0.00 O ATOM 768 OE2 GLU A 54 0.599 -0.503 -15.177 1.00 0.00 O ATOM 0 H GLU A 54 -1.039 4.349 -12.058 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.370 1.622 -10.967 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.864 2.050 -13.404 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.199 2.553 -13.617 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.539 0.284 -12.830 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.143 -0.201 -12.750 1.00 0.00 H new ATOM 775 N GLU A 55 0.861 1.756 -9.880 1.00 0.00 N ATOM 776 CA GLU A 55 2.195 1.673 -9.298 1.00 0.00 C ATOM 777 C GLU A 55 2.370 0.370 -8.523 1.00 0.00 C ATOM 778 O GLU A 55 1.668 0.119 -7.545 1.00 0.00 O ATOM 779 CB GLU A 55 2.449 2.867 -8.375 1.00 0.00 C ATOM 780 CG GLU A 55 3.027 4.076 -9.089 1.00 0.00 C ATOM 781 CD GLU A 55 4.446 3.846 -9.571 1.00 0.00 C ATOM 782 OE1 GLU A 55 5.206 3.146 -8.870 1.00 0.00 O ATOM 783 OE2 GLU A 55 4.796 4.365 -10.652 1.00 0.00 O ATOM 0 H GLU A 55 0.121 1.365 -9.297 1.00 0.00 H new ATOM 0 HA GLU A 55 2.920 1.692 -10.112 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.512 3.152 -7.897 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.132 2.563 -7.582 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.394 4.327 -9.940 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.010 4.933 -8.416 1.00 0.00 H new ATOM 790 N GLU A 56 3.313 -0.455 -8.969 1.00 0.00 N ATOM 791 CA GLU A 56 3.579 -1.732 -8.318 1.00 0.00 C ATOM 792 C GLU A 56 4.492 -1.547 -7.109 1.00 0.00 C ATOM 793 O GLU A 56 5.434 -0.756 -7.145 1.00 0.00 O ATOM 794 CB GLU A 56 4.217 -2.710 -9.307 1.00 0.00 C ATOM 795 CG GLU A 56 4.775 -3.962 -8.651 1.00 0.00 C ATOM 796 CD GLU A 56 6.219 -3.799 -8.217 1.00 0.00 C ATOM 797 OE1 GLU A 56 7.119 -4.047 -9.046 1.00 0.00 O ATOM 798 OE2 GLU A 56 6.448 -3.424 -7.048 1.00 0.00 O ATOM 0 H GLU A 56 3.904 -0.262 -9.777 1.00 0.00 H new ATOM 0 HA GLU A 56 2.629 -2.141 -7.975 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.473 -3.000 -10.049 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.020 -2.201 -9.841 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.165 -4.216 -7.784 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.701 -4.797 -9.348 1.00 0.00 H new ATOM 805 N ALA A 57 4.204 -2.282 -6.040 1.00 0.00 N ATOM 806 CA ALA A 57 4.998 -2.200 -4.821 1.00 0.00 C ATOM 807 C ALA A 57 5.770 -3.494 -4.580 1.00 0.00 C ATOM 808 O ALA A 57 5.188 -4.578 -4.541 1.00 0.00 O ATOM 809 CB ALA A 57 4.105 -1.887 -3.629 1.00 0.00 C ATOM 0 H ALA A 57 3.427 -2.941 -5.994 1.00 0.00 H new ATOM 0 HA ALA A 57 5.721 -1.393 -4.942 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.712 -1.829 -2.725 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.603 -0.933 -3.791 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.360 -2.675 -3.516 1.00 0.00 H new ATOM 815 N THR A 58 7.084 -3.373 -4.421 1.00 0.00 N ATOM 816 CA THR A 58 7.935 -4.532 -4.186 1.00 0.00 C ATOM 817 C THR A 58 7.527 -5.265 -2.914 1.00 0.00 C ATOM 818 O THR A 58 7.354 -4.652 -1.860 1.00 0.00 O ATOM 819 CB THR A 58 9.418 -4.128 -4.080 1.00 0.00 C ATOM 820 OG1 THR A 58 9.789 -3.327 -5.207 1.00 0.00 O ATOM 821 CG2 THR A 58 10.310 -5.358 -4.009 1.00 0.00 C ATOM 0 H THR A 58 7.582 -2.483 -4.451 1.00 0.00 H new ATOM 0 HA THR A 58 7.808 -5.196 -5.041 1.00 0.00 H new ATOM 0 HB THR A 58 9.550 -3.550 -3.165 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.732 -3.073 -5.131 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.352 -5.048 -3.935 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.044 -5.950 -3.133 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.174 -5.959 -4.908 1.00 0.00 H new ATOM 829 N VAL A 59 7.376 -6.582 -3.017 1.00 0.00 N ATOM 830 CA VAL A 59 6.990 -7.399 -1.874 1.00 0.00 C ATOM 831 C VAL A 59 8.123 -8.329 -1.455 1.00 0.00 C ATOM 832 O VAL A 59 8.870 -8.831 -2.294 1.00 0.00 O ATOM 833 CB VAL A 59 5.738 -8.242 -2.183 1.00 0.00 C ATOM 834 CG1 VAL A 59 5.376 -9.118 -0.993 1.00 0.00 C ATOM 835 CG2 VAL A 59 4.573 -7.343 -2.567 1.00 0.00 C ATOM 0 H VAL A 59 7.515 -7.105 -3.881 1.00 0.00 H new ATOM 0 HA VAL A 59 6.765 -6.713 -1.057 1.00 0.00 H new ATOM 0 HB VAL A 59 5.960 -8.893 -3.029 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.489 -9.706 -1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.206 -9.788 -0.768 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.173 -8.489 -0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.697 -7.955 -2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.349 -6.666 -1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.837 -6.763 -3.452 1.00 0.00 H new ATOM 845 N ASN A 60 8.246 -8.553 -0.150 1.00 0.00 N ATOM 846 CA ASN A 60 9.290 -9.422 0.381 1.00 0.00 C ATOM 847 C ASN A 60 8.696 -10.725 0.908 1.00 0.00 C ATOM 848 O ASN A 60 7.933 -10.725 1.874 1.00 0.00 O ATOM 849 CB ASN A 60 10.057 -8.710 1.496 1.00 0.00 C ATOM 850 CG ASN A 60 11.379 -9.384 1.810 1.00 0.00 C ATOM 851 OD1 ASN A 60 12.062 -9.882 0.916 1.00 0.00 O ATOM 852 ND2 ASN A 60 11.744 -9.403 3.087 1.00 0.00 N ATOM 0 H ASN A 60 7.636 -8.145 0.558 1.00 0.00 H new ATOM 0 HA ASN A 60 9.979 -9.659 -0.430 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.240 -7.676 1.204 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.443 -8.684 2.396 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.623 -9.843 3.360 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.146 -8.977 3.795 1.00 0.00 H new ATOM 859 N ARG A 61 9.052 -11.834 0.267 1.00 0.00 N ATOM 860 CA ARG A 61 8.555 -13.143 0.671 1.00 0.00 C ATOM 861 C ARG A 61 9.234 -13.611 1.955 1.00 0.00 C ATOM 862 O ARG A 61 8.590 -14.176 2.840 1.00 0.00 O ATOM 863 CB ARG A 61 8.787 -14.166 -0.443 1.00 0.00 C ATOM 864 CG ARG A 61 7.731 -14.127 -1.535 1.00 0.00 C ATOM 865 CD ARG A 61 8.104 -13.146 -2.636 1.00 0.00 C ATOM 866 NE ARG A 61 8.980 -13.752 -3.635 1.00 0.00 N ATOM 867 CZ ARG A 61 9.775 -13.052 -4.437 1.00 0.00 C ATOM 868 NH1 ARG A 61 9.803 -11.729 -4.357 1.00 0.00 N ATOM 869 NH2 ARG A 61 10.544 -13.676 -5.320 1.00 0.00 N ATOM 0 H ARG A 61 9.683 -11.851 -0.534 1.00 0.00 H new ATOM 0 HA ARG A 61 7.485 -13.055 0.858 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.766 -13.989 -0.889 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.811 -15.165 -0.008 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.609 -15.123 -1.960 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.771 -13.844 -1.104 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.198 -12.783 -3.121 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.599 -12.280 -2.197 1.00 0.00 H new ATOM 0 HE ARG A 61 8.982 -14.768 -3.722 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.213 -11.246 -3.679 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.414 -11.194 -4.974 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.525 -14.694 -5.383 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.154 -13.138 -5.935 1.00 0.00 H new ATOM 883 N LEU A 62 10.537 -13.372 2.049 1.00 0.00 N ATOM 884 CA LEU A 62 11.304 -13.768 3.225 1.00 0.00 C ATOM 885 C LEU A 62 10.611 -13.317 4.506 1.00 0.00 C ATOM 886 O LEU A 62 10.403 -14.111 5.423 1.00 0.00 O ATOM 887 CB LEU A 62 12.715 -13.179 3.160 1.00 0.00 C ATOM 888 CG LEU A 62 13.737 -13.972 2.345 1.00 0.00 C ATOM 889 CD1 LEU A 62 14.965 -13.123 2.057 1.00 0.00 C ATOM 890 CD2 LEU A 62 14.127 -15.248 3.075 1.00 0.00 C ATOM 0 H LEU A 62 11.085 -12.906 1.325 1.00 0.00 H new ATOM 0 HA LEU A 62 11.371 -14.856 3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 62 12.649 -12.174 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 62 13.092 -13.077 4.178 1.00 0.00 H new ATOM 0 HG LEU A 62 13.280 -14.247 1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.681 -13.704 1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 62 14.671 -12.239 1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.424 -12.816 2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 62 14.855 -15.800 2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 62 14.564 -14.995 4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.241 -15.865 3.228 1.00 0.00 H new ATOM 902 N GLN A 63 10.253 -12.038 4.560 1.00 0.00 N ATOM 903 CA GLN A 63 9.580 -11.482 5.728 1.00 0.00 C ATOM 904 C GLN A 63 8.095 -11.826 5.716 1.00 0.00 C ATOM 905 O GLN A 63 7.534 -12.233 6.734 1.00 0.00 O ATOM 906 CB GLN A 63 9.764 -9.964 5.774 1.00 0.00 C ATOM 907 CG GLN A 63 11.116 -9.531 6.317 1.00 0.00 C ATOM 908 CD GLN A 63 11.289 -9.865 7.786 1.00 0.00 C ATOM 909 OE1 GLN A 63 11.445 -11.029 8.156 1.00 0.00 O ATOM 910 NE2 GLN A 63 11.262 -8.842 8.633 1.00 0.00 N ATOM 0 H GLN A 63 10.418 -11.368 3.809 1.00 0.00 H new ATOM 0 HA GLN A 63 10.029 -11.923 6.618 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.639 -9.561 4.769 1.00 0.00 H new ATOM 0 HB3 GLN A 63 8.978 -9.530 6.392 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.906 -10.015 5.743 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.233 -8.456 6.176 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.130 -7.893 8.283 1.00 0.00 H new ATOM 0 HE22 GLN A 63 11.373 -9.005 9.634 1.00 0.00 H new ATOM 919 N SER A 64 7.463 -11.660 4.559 1.00 0.00 N ATOM 920 CA SER A 64 6.041 -11.949 4.416 1.00 0.00 C ATOM 921 C SER A 64 5.719 -13.353 4.919 1.00 0.00 C ATOM 922 O SER A 64 6.413 -14.315 4.593 1.00 0.00 O ATOM 923 CB SER A 64 5.615 -11.808 2.953 1.00 0.00 C ATOM 924 OG SER A 64 4.330 -12.368 2.740 1.00 0.00 O ATOM 0 H SER A 64 7.913 -11.327 3.707 1.00 0.00 H new ATOM 0 HA SER A 64 5.486 -11.230 5.019 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.607 -10.755 2.673 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.342 -12.303 2.310 1.00 0.00 H new ATOM 0 HG SER A 64 3.778 -12.234 3.539 1.00 0.00 H new ATOM 930 N ASN A 65 4.660 -13.462 5.714 1.00 0.00 N ATOM 931 CA ASN A 65 4.245 -14.747 6.263 1.00 0.00 C ATOM 932 C ASN A 65 2.744 -14.956 6.085 1.00 0.00 C ATOM 933 O ASN A 65 2.037 -14.069 5.607 1.00 0.00 O ATOM 934 CB ASN A 65 4.610 -14.834 7.746 1.00 0.00 C ATOM 935 CG ASN A 65 4.563 -16.256 8.271 1.00 0.00 C ATOM 936 OD1 ASN A 65 4.783 -17.212 7.527 1.00 0.00 O ATOM 937 ND2 ASN A 65 4.275 -16.402 9.559 1.00 0.00 N ATOM 0 H ASN A 65 4.073 -12.675 5.992 1.00 0.00 H new ATOM 0 HA ASN A 65 4.771 -15.532 5.719 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.610 -14.427 7.896 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.924 -14.214 8.323 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.229 -17.335 9.969 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.100 -15.581 10.139 1.00 0.00 H new ATOM 944 N GLU A 66 2.265 -16.134 6.473 1.00 0.00 N ATOM 945 CA GLU A 66 0.849 -16.459 6.355 1.00 0.00 C ATOM 946 C GLU A 66 -0.014 -15.362 6.973 1.00 0.00 C ATOM 947 O GLU A 66 -1.142 -15.125 6.540 1.00 0.00 O ATOM 948 CB GLU A 66 0.552 -17.798 7.032 1.00 0.00 C ATOM 949 CG GLU A 66 -0.929 -18.135 7.093 1.00 0.00 C ATOM 950 CD GLU A 66 -1.411 -18.874 5.860 1.00 0.00 C ATOM 951 OE1 GLU A 66 -1.293 -18.315 4.750 1.00 0.00 O ATOM 952 OE2 GLU A 66 -1.905 -20.012 6.006 1.00 0.00 O ATOM 0 H GLU A 66 2.837 -16.879 6.872 1.00 0.00 H new ATOM 0 HA GLU A 66 0.607 -16.535 5.295 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.074 -18.590 6.496 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.954 -17.780 8.045 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.123 -18.744 7.976 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.503 -17.215 7.208 1.00 0.00 H new ATOM 959 N VAL A 67 0.525 -14.696 7.990 1.00 0.00 N ATOM 960 CA VAL A 67 -0.194 -13.624 8.668 1.00 0.00 C ATOM 961 C VAL A 67 0.644 -12.351 8.727 1.00 0.00 C ATOM 962 O VAL A 67 0.544 -11.572 9.675 1.00 0.00 O ATOM 963 CB VAL A 67 -0.590 -14.031 10.099 1.00 0.00 C ATOM 964 CG1 VAL A 67 -1.528 -15.229 10.074 1.00 0.00 C ATOM 965 CG2 VAL A 67 0.649 -14.332 10.929 1.00 0.00 C ATOM 0 H VAL A 67 1.457 -14.880 8.362 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.098 -13.434 8.089 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.117 -13.197 10.562 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.797 -15.502 11.094 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.430 -14.974 9.517 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.030 -16.071 9.592 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.351 -14.618 11.938 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.205 -15.149 10.470 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.280 -13.445 10.975 1.00 0.00 H new ATOM 975 N THR A 68 1.471 -12.146 7.706 1.00 0.00 N ATOM 976 CA THR A 68 2.328 -10.969 7.641 1.00 0.00 C ATOM 977 C THR A 68 2.687 -10.629 6.199 1.00 0.00 C ATOM 978 O THR A 68 2.805 -11.516 5.352 1.00 0.00 O ATOM 979 CB THR A 68 3.625 -11.173 8.447 1.00 0.00 C ATOM 980 OG1 THR A 68 3.312 -11.457 9.815 1.00 0.00 O ATOM 981 CG2 THR A 68 4.509 -9.938 8.370 1.00 0.00 C ATOM 0 H THR A 68 1.565 -12.780 6.913 1.00 0.00 H new ATOM 0 HA THR A 68 1.765 -10.144 8.076 1.00 0.00 H new ATOM 0 HB THR A 68 4.166 -12.015 8.016 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.142 -11.587 10.320 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.419 -10.105 8.946 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.769 -9.741 7.330 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.973 -9.081 8.778 1.00 0.00 H new ATOM 989 N LEU A 69 2.861 -9.341 5.926 1.00 0.00 N ATOM 990 CA LEU A 69 3.208 -8.883 4.585 1.00 0.00 C ATOM 991 C LEU A 69 4.132 -7.671 4.645 1.00 0.00 C ATOM 992 O LEU A 69 3.702 -6.565 4.975 1.00 0.00 O ATOM 993 CB LEU A 69 1.942 -8.536 3.800 1.00 0.00 C ATOM 994 CG LEU A 69 1.318 -9.676 2.994 1.00 0.00 C ATOM 995 CD1 LEU A 69 0.061 -9.200 2.283 1.00 0.00 C ATOM 996 CD2 LEU A 69 2.320 -10.234 1.995 1.00 0.00 C ATOM 0 H LEU A 69 2.768 -8.595 6.615 1.00 0.00 H new ATOM 0 HA LEU A 69 3.733 -9.691 4.076 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.195 -8.162 4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.175 -7.720 3.116 1.00 0.00 H new ATOM 0 HG LEU A 69 1.041 -10.474 3.683 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.370 -10.024 1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.663 -8.850 3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.313 -8.384 1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.858 -11.044 1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.629 -9.445 1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.192 -10.614 2.528 1.00 0.00 H new ATOM 1008 N THR A 70 5.404 -7.886 4.323 1.00 0.00 N ATOM 1009 CA THR A 70 6.388 -6.811 4.339 1.00 0.00 C ATOM 1010 C THR A 70 6.707 -6.336 2.926 1.00 0.00 C ATOM 1011 O THR A 70 7.167 -7.113 2.088 1.00 0.00 O ATOM 1012 CB THR A 70 7.693 -7.255 5.026 1.00 0.00 C ATOM 1013 OG1 THR A 70 7.425 -7.654 6.375 1.00 0.00 O ATOM 1014 CG2 THR A 70 8.718 -6.132 5.018 1.00 0.00 C ATOM 0 H THR A 70 5.777 -8.795 4.048 1.00 0.00 H new ATOM 0 HA THR A 70 5.949 -5.989 4.905 1.00 0.00 H new ATOM 0 HB THR A 70 8.100 -8.101 4.472 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.213 -7.478 6.931 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.631 -6.469 5.509 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.942 -5.851 3.989 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.317 -5.270 5.551 1.00 0.00 H new ATOM 1022 N LEU A 71 6.461 -5.056 2.668 1.00 0.00 N ATOM 1023 CA LEU A 71 6.724 -4.477 1.355 1.00 0.00 C ATOM 1024 C LEU A 71 7.429 -3.131 1.485 1.00 0.00 C ATOM 1025 O LEU A 71 7.583 -2.601 2.586 1.00 0.00 O ATOM 1026 CB LEU A 71 5.416 -4.308 0.580 1.00 0.00 C ATOM 1027 CG LEU A 71 4.478 -3.207 1.076 1.00 0.00 C ATOM 1028 CD1 LEU A 71 3.578 -2.723 -0.050 1.00 0.00 C ATOM 1029 CD2 LEU A 71 3.647 -3.704 2.250 1.00 0.00 C ATOM 0 H LEU A 71 6.080 -4.400 3.350 1.00 0.00 H new ATOM 0 HA LEU A 71 7.378 -5.157 0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.659 -4.108 -0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.877 -5.255 0.606 1.00 0.00 H new ATOM 0 HG LEU A 71 5.083 -2.366 1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.918 -1.940 0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.190 -2.327 -0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.980 -3.555 -0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.985 -2.908 2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.052 -4.562 1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.308 -3.999 3.065 1.00 0.00 H new ATOM 1041 N THR A 72 7.854 -2.579 0.352 1.00 0.00 N ATOM 1042 CA THR A 72 8.541 -1.294 0.339 1.00 0.00 C ATOM 1043 C THR A 72 7.655 -0.203 -0.249 1.00 0.00 C ATOM 1044 O THR A 72 7.319 -0.231 -1.433 1.00 0.00 O ATOM 1045 CB THR A 72 9.851 -1.366 -0.469 1.00 0.00 C ATOM 1046 OG1 THR A 72 10.658 -2.452 0.001 1.00 0.00 O ATOM 1047 CG2 THR A 72 10.629 -0.064 -0.356 1.00 0.00 C ATOM 0 H THR A 72 7.734 -3.002 -0.568 1.00 0.00 H new ATOM 0 HA THR A 72 8.774 -1.050 1.375 1.00 0.00 H new ATOM 0 HB THR A 72 9.597 -1.529 -1.516 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.488 -2.492 -0.519 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.550 -0.139 -0.935 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.024 0.756 -0.742 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.872 0.125 0.690 1.00 0.00 H new ATOM 1055 N VAL A 73 7.278 0.761 0.586 1.00 0.00 N ATOM 1056 CA VAL A 73 6.431 1.864 0.149 1.00 0.00 C ATOM 1057 C VAL A 73 6.853 2.369 -1.227 1.00 0.00 C ATOM 1058 O VAL A 73 8.006 2.739 -1.453 1.00 0.00 O ATOM 1059 CB VAL A 73 6.473 3.035 1.149 1.00 0.00 C ATOM 1060 CG1 VAL A 73 5.642 4.202 0.639 1.00 0.00 C ATOM 1061 CG2 VAL A 73 5.990 2.583 2.518 1.00 0.00 C ATOM 0 H VAL A 73 7.546 0.800 1.569 1.00 0.00 H new ATOM 0 HA VAL A 73 5.413 1.479 0.095 1.00 0.00 H new ATOM 0 HB VAL A 73 7.505 3.371 1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.683 5.020 1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.039 4.540 -0.318 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.607 3.883 0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.026 3.423 3.212 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.965 2.220 2.441 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.632 1.782 2.884 1.00 0.00 H new ATOM 1071 N PRO A 74 5.899 2.387 -2.169 1.00 0.00 N ATOM 1072 CA PRO A 74 6.148 2.846 -3.539 1.00 0.00 C ATOM 1073 C PRO A 74 6.385 4.350 -3.612 1.00 0.00 C ATOM 1074 O PRO A 74 6.109 5.078 -2.659 1.00 0.00 O ATOM 1075 CB PRO A 74 4.861 2.471 -4.278 1.00 0.00 C ATOM 1076 CG PRO A 74 3.813 2.434 -3.219 1.00 0.00 C ATOM 1077 CD PRO A 74 4.504 1.961 -1.970 1.00 0.00 C ATOM 0 HA PRO A 74 7.046 2.396 -3.963 1.00 0.00 H new ATOM 0 HB2 PRO A 74 4.619 3.203 -5.049 1.00 0.00 H new ATOM 0 HB3 PRO A 74 4.957 1.505 -4.774 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.372 3.420 -3.072 1.00 0.00 H new ATOM 0 HG3 PRO A 74 3.002 1.760 -3.496 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.070 2.410 -1.076 1.00 0.00 H new ATOM 0 HD3 PRO A 74 4.427 0.880 -1.853 1.00 0.00 H new ATOM 1085 N GLU A 75 6.899 4.809 -4.749 1.00 0.00 N ATOM 1086 CA GLU A 75 7.174 6.228 -4.945 1.00 0.00 C ATOM 1087 C GLU A 75 5.931 6.958 -5.446 1.00 0.00 C ATOM 1088 O GLU A 75 5.430 6.679 -6.535 1.00 0.00 O ATOM 1089 CB GLU A 75 8.324 6.415 -5.937 1.00 0.00 C ATOM 1090 CG GLU A 75 9.697 6.205 -5.323 1.00 0.00 C ATOM 1091 CD GLU A 75 10.732 5.771 -6.343 1.00 0.00 C ATOM 1092 OE1 GLU A 75 10.501 4.750 -7.025 1.00 0.00 O ATOM 1093 OE2 GLU A 75 11.772 6.452 -6.461 1.00 0.00 O ATOM 0 H GLU A 75 7.133 4.219 -5.548 1.00 0.00 H new ATOM 0 HA GLU A 75 7.461 6.653 -3.983 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.195 5.718 -6.765 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.272 7.420 -6.355 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.025 7.131 -4.850 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.628 5.452 -4.538 1.00 0.00 H new ATOM 1100 N TYR A 76 5.439 7.895 -4.642 1.00 0.00 N ATOM 1101 CA TYR A 76 4.253 8.664 -5.001 1.00 0.00 C ATOM 1102 C TYR A 76 4.550 9.613 -6.158 1.00 0.00 C ATOM 1103 O TYR A 76 5.676 10.083 -6.318 1.00 0.00 O ATOM 1104 CB TYR A 76 3.748 9.455 -3.794 1.00 0.00 C ATOM 1105 CG TYR A 76 2.435 10.163 -4.040 1.00 0.00 C ATOM 1106 CD1 TYR A 76 1.370 9.502 -4.641 1.00 0.00 C ATOM 1107 CD2 TYR A 76 2.258 11.491 -3.673 1.00 0.00 C ATOM 1108 CE1 TYR A 76 0.168 10.145 -4.869 1.00 0.00 C ATOM 1109 CE2 TYR A 76 1.060 12.140 -3.895 1.00 0.00 C ATOM 1110 CZ TYR A 76 0.018 11.463 -4.494 1.00 0.00 C ATOM 1111 OH TYR A 76 -1.177 12.108 -4.718 1.00 0.00 O ATOM 0 H TYR A 76 5.843 8.140 -3.738 1.00 0.00 H new ATOM 0 HA TYR A 76 3.479 7.965 -5.318 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.633 8.777 -2.948 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.501 10.191 -3.512 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.484 8.469 -4.935 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.072 12.025 -3.206 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.649 9.618 -5.338 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.939 13.172 -3.601 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.008 12.964 -5.164 1.00 0.00 H new ATOM 1121 N SER A 77 3.529 9.892 -6.963 1.00 0.00 N ATOM 1122 CA SER A 77 3.679 10.783 -8.107 1.00 0.00 C ATOM 1123 C SER A 77 4.133 12.169 -7.661 1.00 0.00 C ATOM 1124 O SER A 77 5.221 12.621 -8.014 1.00 0.00 O ATOM 1125 CB SER A 77 2.360 10.888 -8.875 1.00 0.00 C ATOM 1126 OG SER A 77 2.511 11.675 -10.044 1.00 0.00 O ATOM 0 H SER A 77 2.589 9.514 -6.844 1.00 0.00 H new ATOM 0 HA SER A 77 4.441 10.365 -8.764 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.013 9.891 -9.147 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.596 11.327 -8.233 1.00 0.00 H new ATOM 0 HG SER A 77 1.654 11.725 -10.518 1.00 0.00 H new ATOM 1132 N ASN A 78 3.290 12.839 -6.882 1.00 0.00 N ATOM 1133 CA ASN A 78 3.603 14.174 -6.386 1.00 0.00 C ATOM 1134 C ASN A 78 4.347 14.101 -5.056 1.00 0.00 C ATOM 1135 O ASN A 78 3.733 14.004 -3.993 1.00 0.00 O ATOM 1136 CB ASN A 78 2.321 14.993 -6.222 1.00 0.00 C ATOM 1137 CG ASN A 78 1.800 15.523 -7.544 1.00 0.00 C ATOM 1138 OD1 ASN A 78 1.395 14.754 -8.417 1.00 0.00 O ATOM 1139 ND2 ASN A 78 1.808 16.842 -7.698 1.00 0.00 N ATOM 0 H ASN A 78 2.385 12.479 -6.581 1.00 0.00 H new ATOM 0 HA ASN A 78 4.248 14.663 -7.116 1.00 0.00 H new ATOM 0 HB2 ASN A 78 1.555 14.374 -5.755 1.00 0.00 H new ATOM 0 HB3 ASN A 78 2.511 15.828 -5.548 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.469 17.256 -8.567 1.00 0.00 H new ATOM 0 HD22 ASN A 78 2.153 17.441 -6.948 1.00 0.00 H new ATOM 1146 N LYS A 79 5.673 14.147 -5.123 1.00 0.00 N ATOM 1147 CA LYS A 79 6.502 14.088 -3.925 1.00 0.00 C ATOM 1148 C LYS A 79 6.867 15.489 -3.447 1.00 0.00 C ATOM 1149 O LYS A 79 6.931 15.748 -2.244 1.00 0.00 O ATOM 1150 CB LYS A 79 7.775 13.284 -4.201 1.00 0.00 C ATOM 1151 CG LYS A 79 7.522 11.803 -4.426 1.00 0.00 C ATOM 1152 CD LYS A 79 8.770 10.978 -4.161 1.00 0.00 C ATOM 1153 CE LYS A 79 8.731 9.653 -4.907 1.00 0.00 C ATOM 1154 NZ LYS A 79 9.333 9.763 -6.264 1.00 0.00 N ATOM 0 H LYS A 79 6.197 14.225 -5.995 1.00 0.00 H new ATOM 0 HA LYS A 79 5.929 13.593 -3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.272 13.697 -5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.460 13.404 -3.361 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.717 11.467 -3.772 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.189 11.641 -5.451 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.652 11.542 -4.465 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.864 10.792 -3.091 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.266 8.897 -4.333 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.698 9.315 -4.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.636 9.468 -6.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.614 10.749 -6.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.170 9.149 -6.323 1.00 0.00 H new ATOM 1168 N ARG A 80 7.104 16.391 -4.394 1.00 0.00 N ATOM 1169 CA ARG A 80 7.462 17.766 -4.068 1.00 0.00 C ATOM 1170 C ARG A 80 6.237 18.553 -3.613 1.00 0.00 C ATOM 1171 O ARG A 80 5.954 19.635 -4.128 1.00 0.00 O ATOM 1172 CB ARG A 80 8.100 18.450 -5.279 1.00 0.00 C ATOM 1173 CG ARG A 80 9.572 18.118 -5.460 1.00 0.00 C ATOM 1174 CD ARG A 80 10.304 19.222 -6.206 1.00 0.00 C ATOM 1175 NE ARG A 80 10.854 20.225 -5.298 1.00 0.00 N ATOM 1176 CZ ARG A 80 11.084 21.486 -5.648 1.00 0.00 C ATOM 1177 NH1 ARG A 80 10.813 21.896 -6.879 1.00 0.00 N ATOM 1178 NH2 ARG A 80 11.586 22.339 -4.764 1.00 0.00 N ATOM 0 H ARG A 80 7.054 16.194 -5.394 1.00 0.00 H new ATOM 0 HA ARG A 80 8.183 17.744 -3.250 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.557 18.158 -6.178 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.990 19.529 -5.176 1.00 0.00 H new ATOM 0 HG2 ARG A 80 10.035 17.968 -4.485 1.00 0.00 H new ATOM 0 HG3 ARG A 80 9.670 17.181 -6.007 1.00 0.00 H new ATOM 0 HD2 ARG A 80 11.110 18.787 -6.797 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.620 19.702 -6.905 1.00 0.00 H new ATOM 0 HE ARG A 80 11.074 19.942 -4.343 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.427 21.243 -7.561 1.00 0.00 H new ATOM 0 HH12 ARG A 80 10.991 22.865 -7.145 1.00 0.00 H new ATOM 0 HH21 ARG A 80 11.795 22.027 -3.816 1.00 0.00 H new ATOM 0 HH22 ARG A 80 11.763 23.307 -5.033 1.00 0.00 H new ATOM 1192 N VAL A 81 5.513 18.003 -2.643 1.00 0.00 N ATOM 1193 CA VAL A 81 4.318 18.653 -2.118 1.00 0.00 C ATOM 1194 C VAL A 81 4.557 19.184 -0.709 1.00 0.00 C ATOM 1195 O VAL A 81 5.056 18.468 0.159 1.00 0.00 O ATOM 1196 CB VAL A 81 3.118 17.688 -2.095 1.00 0.00 C ATOM 1197 CG1 VAL A 81 2.668 17.361 -3.510 1.00 0.00 C ATOM 1198 CG2 VAL A 81 3.469 16.420 -1.331 1.00 0.00 C ATOM 0 H VAL A 81 5.733 17.109 -2.205 1.00 0.00 H new ATOM 0 HA VAL A 81 4.091 19.486 -2.784 1.00 0.00 H new ATOM 0 HB VAL A 81 2.290 18.177 -1.581 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.819 16.678 -3.473 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.374 18.279 -4.019 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.488 16.892 -4.053 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.610 15.749 -1.325 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.312 15.926 -1.814 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.737 16.675 -0.306 1.00 0.00 H new ATOM 1208 N SER A 82 4.196 20.444 -0.488 1.00 0.00 N ATOM 1209 CA SER A 82 4.373 21.073 0.815 1.00 0.00 C ATOM 1210 C SER A 82 3.484 20.412 1.864 1.00 0.00 C ATOM 1211 O SER A 82 3.821 20.377 3.047 1.00 0.00 O ATOM 1212 CB SER A 82 4.057 22.568 0.731 1.00 0.00 C ATOM 1213 OG SER A 82 5.174 23.299 0.258 1.00 0.00 O ATOM 0 H SER A 82 3.779 21.049 -1.195 1.00 0.00 H new ATOM 0 HA SER A 82 5.413 20.945 1.113 1.00 0.00 H new ATOM 0 HB2 SER A 82 3.207 22.727 0.067 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.767 22.937 1.715 1.00 0.00 H new ATOM 0 HG SER A 82 4.946 24.251 0.212 1.00 0.00 H new ATOM 1219 N ARG A 83 2.345 19.888 1.419 1.00 0.00 N ATOM 1220 CA ARG A 83 1.406 19.229 2.318 1.00 0.00 C ATOM 1221 C ARG A 83 1.316 17.737 2.011 1.00 0.00 C ATOM 1222 O ARG A 83 1.532 17.296 0.882 1.00 0.00 O ATOM 1223 CB ARG A 83 0.021 19.869 2.202 1.00 0.00 C ATOM 1224 CG ARG A 83 -0.019 21.319 2.655 1.00 0.00 C ATOM 1225 CD ARG A 83 0.589 22.246 1.614 1.00 0.00 C ATOM 1226 NE ARG A 83 -0.019 23.573 1.641 1.00 0.00 N ATOM 1227 CZ ARG A 83 -1.159 23.872 1.028 1.00 0.00 C ATOM 1228 NH1 ARG A 83 -1.812 22.942 0.344 1.00 0.00 N ATOM 1229 NH2 ARG A 83 -1.649 25.103 1.098 1.00 0.00 N ATOM 0 H ARG A 83 2.052 19.908 0.442 1.00 0.00 H new ATOM 0 HA ARG A 83 1.771 19.351 3.338 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.311 19.812 1.165 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.688 19.292 2.796 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.051 21.613 2.847 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.522 21.422 3.596 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.661 22.335 1.790 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.464 21.810 0.623 1.00 0.00 H new ATOM 0 HE ARG A 83 0.458 24.311 2.159 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.439 21.994 0.288 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.687 23.175 -0.126 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.150 25.821 1.623 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.524 25.331 0.627 1.00 0.00 H new ATOM 1243 N PRO A 84 0.989 16.940 3.039 1.00 0.00 N ATOM 1244 CA PRO A 84 0.862 15.485 2.903 1.00 0.00 C ATOM 1245 C PRO A 84 -0.355 15.084 2.077 1.00 0.00 C ATOM 1246 O PRO A 84 -1.435 15.655 2.226 1.00 0.00 O ATOM 1247 CB PRO A 84 0.709 15.007 4.349 1.00 0.00 C ATOM 1248 CG PRO A 84 0.142 16.176 5.077 1.00 0.00 C ATOM 1249 CD PRO A 84 0.716 17.396 4.412 1.00 0.00 C ATOM 0 HA PRO A 84 1.714 15.048 2.383 1.00 0.00 H new ATOM 0 HB2 PRO A 84 0.048 14.143 4.412 1.00 0.00 H new ATOM 0 HB3 PRO A 84 1.668 14.706 4.770 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -0.947 16.178 5.024 1.00 0.00 H new ATOM 0 HG3 PRO A 84 0.409 16.145 6.133 1.00 0.00 H new ATOM 0 HD2 PRO A 84 0.014 18.229 4.426 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.624 17.736 4.911 1.00 0.00 H new ATOM 1257 N VAL A 85 -0.173 14.096 1.206 1.00 0.00 N ATOM 1258 CA VAL A 85 -1.257 13.617 0.357 1.00 0.00 C ATOM 1259 C VAL A 85 -1.895 12.360 0.937 1.00 0.00 C ATOM 1260 O VAL A 85 -1.224 11.551 1.577 1.00 0.00 O ATOM 1261 CB VAL A 85 -0.761 13.316 -1.070 1.00 0.00 C ATOM 1262 CG1 VAL A 85 -1.932 12.989 -1.985 1.00 0.00 C ATOM 1263 CG2 VAL A 85 0.040 14.489 -1.614 1.00 0.00 C ATOM 0 H VAL A 85 0.715 13.612 1.070 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.001 14.412 0.315 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.107 12.445 -1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.562 12.779 -2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.459 12.115 -1.603 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.615 13.838 -2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.383 14.259 -2.623 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.589 15.379 -1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.901 14.671 -0.971 1.00 0.00 H new ATOM 1273 N GLN A 86 -3.195 12.203 0.708 1.00 0.00 N ATOM 1274 CA GLN A 86 -3.924 11.043 1.210 1.00 0.00 C ATOM 1275 C GLN A 86 -4.088 9.991 0.119 1.00 0.00 C ATOM 1276 O GLN A 86 -4.617 10.273 -0.956 1.00 0.00 O ATOM 1277 CB GLN A 86 -5.296 11.466 1.737 1.00 0.00 C ATOM 1278 CG GLN A 86 -6.120 10.311 2.283 1.00 0.00 C ATOM 1279 CD GLN A 86 -5.639 9.842 3.642 1.00 0.00 C ATOM 1280 OE1 GLN A 86 -5.019 10.600 4.389 1.00 0.00 O ATOM 1281 NE2 GLN A 86 -5.922 8.587 3.971 1.00 0.00 N ATOM 0 H GLN A 86 -3.765 12.863 0.179 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.348 10.608 2.026 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.161 12.209 2.523 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.851 11.950 0.934 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.163 10.617 2.357 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.081 9.478 1.581 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -6.438 7.994 3.322 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.623 8.217 4.873 1.00 0.00 H new ATOM 1290 N VAL A 87 -3.630 8.775 0.402 1.00 0.00 N ATOM 1291 CA VAL A 87 -3.726 7.679 -0.555 1.00 0.00 C ATOM 1292 C VAL A 87 -4.282 6.422 0.104 1.00 0.00 C ATOM 1293 O VAL A 87 -4.533 6.399 1.309 1.00 0.00 O ATOM 1294 CB VAL A 87 -2.355 7.356 -1.178 1.00 0.00 C ATOM 1295 CG1 VAL A 87 -1.881 8.506 -2.053 1.00 0.00 C ATOM 1296 CG2 VAL A 87 -1.336 7.047 -0.091 1.00 0.00 C ATOM 0 H VAL A 87 -3.189 8.524 1.287 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.406 8.004 -1.342 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.461 6.472 -1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.911 8.259 -2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.601 8.675 -2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.791 9.409 -1.449 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.373 6.821 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.232 7.910 0.566 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.672 6.188 0.489 1.00 0.00 H new ATOM 1306 N TYR A 88 -4.472 5.377 -0.694 1.00 0.00 N ATOM 1307 CA TYR A 88 -5.000 4.116 -0.189 1.00 0.00 C ATOM 1308 C TYR A 88 -4.360 2.931 -0.906 1.00 0.00 C ATOM 1309 O TYR A 88 -3.814 3.074 -2.000 1.00 0.00 O ATOM 1310 CB TYR A 88 -6.520 4.070 -0.360 1.00 0.00 C ATOM 1311 CG TYR A 88 -7.219 5.328 0.103 1.00 0.00 C ATOM 1312 CD1 TYR A 88 -7.236 6.469 -0.690 1.00 0.00 C ATOM 1313 CD2 TYR A 88 -7.864 5.375 1.333 1.00 0.00 C ATOM 1314 CE1 TYR A 88 -7.873 7.620 -0.270 1.00 0.00 C ATOM 1315 CE2 TYR A 88 -8.505 6.522 1.760 1.00 0.00 C ATOM 1316 CZ TYR A 88 -8.507 7.642 0.955 1.00 0.00 C ATOM 1317 OH TYR A 88 -9.144 8.787 1.376 1.00 0.00 O ATOM 0 H TYR A 88 -4.268 5.379 -1.693 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.758 4.049 0.872 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.754 3.900 -1.411 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -6.914 3.219 0.196 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.743 6.455 -1.651 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.864 4.500 1.966 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -7.875 8.499 -0.898 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.002 6.542 2.719 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.540 8.635 2.259 1.00 0.00 H new ATOM 1327 N PHE A 89 -4.433 1.760 -0.282 1.00 0.00 N ATOM 1328 CA PHE A 89 -3.862 0.549 -0.859 1.00 0.00 C ATOM 1329 C PHE A 89 -4.605 -0.690 -0.369 1.00 0.00 C ATOM 1330 O PHE A 89 -5.217 -0.679 0.699 1.00 0.00 O ATOM 1331 CB PHE A 89 -2.377 0.441 -0.504 1.00 0.00 C ATOM 1332 CG PHE A 89 -2.114 0.437 0.975 1.00 0.00 C ATOM 1333 CD1 PHE A 89 -2.294 -0.716 1.721 1.00 0.00 C ATOM 1334 CD2 PHE A 89 -1.686 1.587 1.619 1.00 0.00 C ATOM 1335 CE1 PHE A 89 -2.053 -0.722 3.082 1.00 0.00 C ATOM 1336 CE2 PHE A 89 -1.442 1.587 2.979 1.00 0.00 C ATOM 1337 CZ PHE A 89 -1.626 0.431 3.712 1.00 0.00 C ATOM 0 H PHE A 89 -4.882 1.624 0.624 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.966 0.608 -1.942 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.973 -0.473 -0.939 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.841 1.275 -0.958 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.626 -1.621 1.234 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.541 2.494 1.051 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.198 -1.627 3.653 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.108 2.490 3.468 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.437 0.428 4.775 1.00 0.00 H new ATOM 1347 N TYR A 90 -4.548 -1.757 -1.159 1.00 0.00 N ATOM 1348 CA TYR A 90 -5.218 -3.004 -0.808 1.00 0.00 C ATOM 1349 C TYR A 90 -4.467 -4.204 -1.376 1.00 0.00 C ATOM 1350 O TYR A 90 -3.504 -4.050 -2.127 1.00 0.00 O ATOM 1351 CB TYR A 90 -6.657 -2.997 -1.327 1.00 0.00 C ATOM 1352 CG TYR A 90 -6.758 -2.954 -2.835 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -6.363 -1.827 -3.545 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -7.246 -4.041 -3.549 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -6.453 -1.783 -4.923 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -7.339 -4.006 -4.927 1.00 0.00 C ATOM 1357 CZ TYR A 90 -6.942 -2.875 -5.609 1.00 0.00 C ATOM 1358 OH TYR A 90 -7.032 -2.836 -6.982 1.00 0.00 O ATOM 0 H TYR A 90 -4.045 -1.783 -2.046 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.231 -3.087 0.279 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -7.170 -3.887 -0.962 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.180 -2.135 -0.912 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -5.979 -0.971 -3.011 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -7.558 -4.928 -3.018 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -6.142 -0.899 -5.460 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.721 -4.860 -5.467 1.00 0.00 H new ATOM 0 HH TYR A 90 -7.395 -3.685 -7.310 1.00 0.00 H new ATOM 1368 N VAL A 91 -4.915 -5.401 -1.010 1.00 0.00 N ATOM 1369 CA VAL A 91 -4.288 -6.630 -1.483 1.00 0.00 C ATOM 1370 C VAL A 91 -5.200 -7.375 -2.451 1.00 0.00 C ATOM 1371 O VAL A 91 -6.345 -7.687 -2.125 1.00 0.00 O ATOM 1372 CB VAL A 91 -3.928 -7.563 -0.312 1.00 0.00 C ATOM 1373 CG1 VAL A 91 -3.244 -8.822 -0.823 1.00 0.00 C ATOM 1374 CG2 VAL A 91 -3.046 -6.838 0.694 1.00 0.00 C ATOM 0 H VAL A 91 -5.710 -5.546 -0.387 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.374 -6.340 -2.001 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.849 -7.858 0.192 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.997 -9.469 0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.914 -9.350 -1.502 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.331 -8.551 -1.352 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.801 -7.512 1.515 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.128 -6.513 0.205 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.577 -5.969 1.084 1.00 0.00 H new ATOM 1384 N SER A 92 -4.684 -7.658 -3.643 1.00 0.00 N ATOM 1385 CA SER A 92 -5.454 -8.365 -4.660 1.00 0.00 C ATOM 1386 C SER A 92 -4.966 -9.803 -4.809 1.00 0.00 C ATOM 1387 O SER A 92 -3.816 -10.045 -5.171 1.00 0.00 O ATOM 1388 CB SER A 92 -5.351 -7.638 -6.003 1.00 0.00 C ATOM 1389 OG SER A 92 -5.834 -8.450 -7.060 1.00 0.00 O ATOM 0 H SER A 92 -3.737 -7.409 -3.928 1.00 0.00 H new ATOM 0 HA SER A 92 -6.497 -8.385 -4.343 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.922 -6.710 -5.963 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.313 -7.366 -6.194 1.00 0.00 H new ATOM 0 HG SER A 92 -5.759 -7.963 -7.907 1.00 0.00 H new ATOM 1395 N ASN A 93 -5.851 -10.753 -4.525 1.00 0.00 N ATOM 1396 CA ASN A 93 -5.512 -12.168 -4.626 1.00 0.00 C ATOM 1397 C ASN A 93 -6.542 -12.915 -5.468 1.00 0.00 C ATOM 1398 O ASN A 93 -7.637 -13.222 -4.999 1.00 0.00 O ATOM 1399 CB ASN A 93 -5.424 -12.793 -3.233 1.00 0.00 C ATOM 1400 CG ASN A 93 -4.468 -12.047 -2.323 1.00 0.00 C ATOM 1401 OD1 ASN A 93 -3.677 -11.221 -2.779 1.00 0.00 O ATOM 1402 ND2 ASN A 93 -4.537 -12.335 -1.028 1.00 0.00 N ATOM 0 H ASN A 93 -6.808 -10.569 -4.223 1.00 0.00 H new ATOM 0 HA ASN A 93 -4.541 -12.250 -5.115 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.416 -12.806 -2.781 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.101 -13.830 -3.323 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.919 -11.864 -0.367 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.208 -13.027 -0.694 1.00 0.00 H new ATOM 1409 N GLY A 94 -6.181 -13.206 -6.714 1.00 0.00 N ATOM 1410 CA GLY A 94 -7.084 -13.916 -7.601 1.00 0.00 C ATOM 1411 C GLY A 94 -7.765 -12.994 -8.594 1.00 0.00 C ATOM 1412 O GLY A 94 -7.109 -12.188 -9.253 1.00 0.00 O ATOM 0 H GLY A 94 -5.280 -12.963 -7.125 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.529 -14.682 -8.143 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.841 -14.430 -7.009 1.00 0.00 H new ATOM 1416 N ARG A 95 -9.084 -13.115 -8.703 1.00 0.00 N ATOM 1417 CA ARG A 95 -9.853 -12.288 -9.625 1.00 0.00 C ATOM 1418 C ARG A 95 -10.864 -11.430 -8.871 1.00 0.00 C ATOM 1419 O ARG A 95 -10.846 -10.203 -8.968 1.00 0.00 O ATOM 1420 CB ARG A 95 -10.576 -13.166 -10.649 1.00 0.00 C ATOM 1421 CG ARG A 95 -9.646 -13.803 -11.669 1.00 0.00 C ATOM 1422 CD ARG A 95 -10.375 -14.119 -12.966 1.00 0.00 C ATOM 1423 NE ARG A 95 -11.340 -15.203 -12.801 1.00 0.00 N ATOM 1424 CZ ARG A 95 -12.333 -15.438 -13.652 1.00 0.00 C ATOM 1425 NH1 ARG A 95 -12.490 -14.670 -14.721 1.00 0.00 N ATOM 1426 NH2 ARG A 95 -13.170 -16.444 -13.434 1.00 0.00 N ATOM 0 H ARG A 95 -9.642 -13.777 -8.164 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.160 -11.628 -10.147 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -11.118 -13.952 -10.123 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -11.318 -12.563 -11.173 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.813 -13.131 -11.873 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.223 -14.719 -11.256 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.890 -13.226 -13.319 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.650 -14.393 -13.732 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.247 -15.813 -11.989 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -11.848 -13.896 -14.892 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -13.253 -14.853 -15.373 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -13.051 -17.037 -12.613 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.932 -16.624 -14.088 1.00 0.00 H new ATOM 1440 N ARG A 96 -11.746 -12.084 -8.122 1.00 0.00 N ATOM 1441 CA ARG A 96 -12.766 -11.381 -7.353 1.00 0.00 C ATOM 1442 C ARG A 96 -12.570 -11.606 -5.856 1.00 0.00 C ATOM 1443 O ARG A 96 -13.533 -11.631 -5.090 1.00 0.00 O ATOM 1444 CB ARG A 96 -14.161 -11.846 -7.771 1.00 0.00 C ATOM 1445 CG ARG A 96 -14.448 -13.298 -7.425 1.00 0.00 C ATOM 1446 CD ARG A 96 -15.814 -13.733 -7.933 1.00 0.00 C ATOM 1447 NE ARG A 96 -16.900 -13.169 -7.136 1.00 0.00 N ATOM 1448 CZ ARG A 96 -18.147 -13.044 -7.576 1.00 0.00 C ATOM 1449 NH1 ARG A 96 -18.464 -13.443 -8.801 1.00 0.00 N ATOM 1450 NH2 ARG A 96 -19.080 -12.521 -6.791 1.00 0.00 N ATOM 0 H ARG A 96 -11.775 -13.100 -8.031 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.669 -10.315 -7.558 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -14.906 -11.212 -7.289 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -14.274 -11.708 -8.846 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -13.678 -13.936 -7.859 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -14.401 -13.432 -6.344 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -15.929 -13.425 -8.972 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -15.878 -14.821 -7.914 1.00 0.00 H new ATOM 0 HE ARG A 96 -16.689 -12.854 -6.189 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -17.750 -13.847 -9.407 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -19.422 -13.346 -9.137 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -18.840 -12.214 -5.848 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -20.037 -12.426 -7.130 1.00 0.00 H new ATOM 1464 N LYS A 97 -11.316 -11.769 -5.447 1.00 0.00 N ATOM 1465 CA LYS A 97 -10.993 -11.992 -4.043 1.00 0.00 C ATOM 1466 C LYS A 97 -9.844 -11.091 -3.600 1.00 0.00 C ATOM 1467 O LYS A 97 -8.673 -11.427 -3.786 1.00 0.00 O ATOM 1468 CB LYS A 97 -10.624 -13.459 -3.809 1.00 0.00 C ATOM 1469 CG LYS A 97 -11.626 -14.438 -4.396 1.00 0.00 C ATOM 1470 CD LYS A 97 -12.715 -14.788 -3.396 1.00 0.00 C ATOM 1471 CE LYS A 97 -12.230 -15.810 -2.379 1.00 0.00 C ATOM 1472 NZ LYS A 97 -12.195 -17.185 -2.947 1.00 0.00 N ATOM 0 H LYS A 97 -10.507 -11.751 -6.068 1.00 0.00 H new ATOM 0 HA LYS A 97 -11.874 -11.747 -3.450 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.643 -13.652 -4.243 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.539 -13.637 -2.737 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -12.077 -14.007 -5.290 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -11.110 -15.347 -4.706 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -13.040 -13.885 -2.879 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -13.583 -15.183 -3.925 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.233 -15.534 -2.034 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -12.885 -15.794 -1.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.925 -17.861 -2.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -13.136 -17.433 -3.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.500 -17.224 -3.720 1.00 0.00 H new ATOM 1486 N ARG A 98 -10.185 -9.949 -3.014 1.00 0.00 N ATOM 1487 CA ARG A 98 -9.182 -9.001 -2.545 1.00 0.00 C ATOM 1488 C ARG A 98 -9.597 -8.384 -1.213 1.00 0.00 C ATOM 1489 O ARG A 98 -10.650 -8.713 -0.667 1.00 0.00 O ATOM 1490 CB ARG A 98 -8.965 -7.899 -3.584 1.00 0.00 C ATOM 1491 CG ARG A 98 -10.211 -7.074 -3.866 1.00 0.00 C ATOM 1492 CD ARG A 98 -11.091 -7.735 -4.914 1.00 0.00 C ATOM 1493 NE ARG A 98 -12.061 -6.802 -5.482 1.00 0.00 N ATOM 1494 CZ ARG A 98 -13.201 -7.181 -6.049 1.00 0.00 C ATOM 1495 NH1 ARG A 98 -13.513 -8.467 -6.122 1.00 0.00 N ATOM 1496 NH2 ARG A 98 -14.032 -6.272 -6.543 1.00 0.00 N ATOM 0 H ARG A 98 -11.149 -9.657 -2.852 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.247 -9.543 -2.399 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.171 -7.237 -3.238 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.620 -8.351 -4.514 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -10.778 -6.942 -2.944 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.921 -6.080 -4.207 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -10.466 -8.137 -5.711 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -11.618 -8.577 -4.466 1.00 0.00 H new ATOM 0 HE ARG A 98 -11.851 -5.805 -5.441 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -12.877 -9.168 -5.742 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -14.389 -8.755 -6.558 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -13.796 -5.281 -6.488 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -14.907 -6.564 -6.978 1.00 0.00 H new ATOM 1510 N SER A 99 -8.762 -7.489 -0.695 1.00 0.00 N ATOM 1511 CA SER A 99 -9.040 -6.829 0.576 1.00 0.00 C ATOM 1512 C SER A 99 -9.455 -5.378 0.355 1.00 0.00 C ATOM 1513 O SER A 99 -9.214 -4.790 -0.700 1.00 0.00 O ATOM 1514 CB SER A 99 -7.811 -6.888 1.485 1.00 0.00 C ATOM 1515 OG SER A 99 -7.833 -8.047 2.299 1.00 0.00 O ATOM 0 H SER A 99 -7.887 -7.204 -1.136 1.00 0.00 H new ATOM 0 HA SER A 99 -9.864 -7.355 1.058 1.00 0.00 H new ATOM 0 HB2 SER A 99 -6.906 -6.883 0.878 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.777 -5.999 2.114 1.00 0.00 H new ATOM 0 HG SER A 99 -7.036 -8.061 2.869 1.00 0.00 H new ATOM 1521 N PRO A 100 -10.095 -4.785 1.373 1.00 0.00 N ATOM 1522 CA PRO A 100 -10.558 -3.395 1.316 1.00 0.00 C ATOM 1523 C PRO A 100 -9.403 -2.399 1.333 1.00 0.00 C ATOM 1524 O PRO A 100 -8.280 -2.740 1.705 1.00 0.00 O ATOM 1525 CB PRO A 100 -11.407 -3.251 2.581 1.00 0.00 C ATOM 1526 CG PRO A 100 -10.867 -4.276 3.518 1.00 0.00 C ATOM 1527 CD PRO A 100 -10.417 -5.425 2.660 1.00 0.00 C ATOM 0 HA PRO A 100 -11.102 -3.184 0.395 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -11.325 -2.248 3.001 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -12.463 -3.423 2.371 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -10.037 -3.875 4.099 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -11.629 -4.595 4.229 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -9.550 -5.929 3.086 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -11.200 -6.176 2.551 1.00 0.00 H new ATOM 1535 N THR A 101 -9.686 -1.164 0.929 1.00 0.00 N ATOM 1536 CA THR A 101 -8.672 -0.119 0.897 1.00 0.00 C ATOM 1537 C THR A 101 -8.411 0.437 2.293 1.00 0.00 C ATOM 1538 O THR A 101 -9.346 0.746 3.031 1.00 0.00 O ATOM 1539 CB THR A 101 -9.084 1.036 -0.034 1.00 0.00 C ATOM 1540 OG1 THR A 101 -10.430 1.436 0.247 1.00 0.00 O ATOM 1541 CG2 THR A 101 -8.967 0.623 -1.494 1.00 0.00 C ATOM 0 H THR A 101 -10.610 -0.864 0.619 1.00 0.00 H new ATOM 0 HA THR A 101 -7.760 -0.576 0.514 1.00 0.00 H new ATOM 0 HB THR A 101 -8.411 1.875 0.145 1.00 0.00 H new ATOM 0 HG1 THR A 101 -10.684 2.172 -0.348 1.00 0.00 H new ATOM 0 HG21 THR A 101 -9.263 1.455 -2.132 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.935 0.347 -1.713 1.00 0.00 H new ATOM 0 HG23 THR A 101 -9.618 -0.230 -1.684 1.00 0.00 H new ATOM 1549 N GLN A 102 -7.136 0.562 2.646 1.00 0.00 N ATOM 1550 CA GLN A 102 -6.754 1.082 3.954 1.00 0.00 C ATOM 1551 C GLN A 102 -6.428 2.570 3.875 1.00 0.00 C ATOM 1552 O GLN A 102 -5.774 3.023 2.936 1.00 0.00 O ATOM 1553 CB GLN A 102 -5.550 0.312 4.500 1.00 0.00 C ATOM 1554 CG GLN A 102 -5.926 -0.964 5.234 1.00 0.00 C ATOM 1555 CD GLN A 102 -6.483 -2.028 4.309 1.00 0.00 C ATOM 1556 OE1 GLN A 102 -5.734 -2.734 3.634 1.00 0.00 O ATOM 1557 NE2 GLN A 102 -7.805 -2.148 4.272 1.00 0.00 N ATOM 0 H GLN A 102 -6.351 0.311 2.046 1.00 0.00 H new ATOM 0 HA GLN A 102 -7.598 0.950 4.630 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.884 0.063 3.674 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -4.992 0.959 5.176 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -5.047 -1.357 5.745 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -6.665 -0.733 6.002 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -8.388 -1.542 4.849 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -8.237 -2.847 3.667 1.00 0.00 H new ATOM 1566 N SER A 103 -6.889 3.325 4.867 1.00 0.00 N ATOM 1567 CA SER A 103 -6.651 4.763 4.908 1.00 0.00 C ATOM 1568 C SER A 103 -5.186 5.062 5.211 1.00 0.00 C ATOM 1569 O SER A 103 -4.707 4.819 6.319 1.00 0.00 O ATOM 1570 CB SER A 103 -7.546 5.420 5.960 1.00 0.00 C ATOM 1571 OG SER A 103 -7.314 4.867 7.244 1.00 0.00 O ATOM 0 H SER A 103 -7.430 2.965 5.653 1.00 0.00 H new ATOM 0 HA SER A 103 -6.893 5.175 3.928 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.357 6.493 5.983 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.593 5.286 5.687 1.00 0.00 H new ATOM 0 HG SER A 103 -6.360 4.670 7.348 1.00 0.00 H new ATOM 1577 N PHE A 104 -4.478 5.590 4.218 1.00 0.00 N ATOM 1578 CA PHE A 104 -3.067 5.922 4.377 1.00 0.00 C ATOM 1579 C PHE A 104 -2.791 7.354 3.928 1.00 0.00 C ATOM 1580 O PHE A 104 -3.625 7.983 3.274 1.00 0.00 O ATOM 1581 CB PHE A 104 -2.199 4.949 3.577 1.00 0.00 C ATOM 1582 CG PHE A 104 -0.757 4.950 3.994 1.00 0.00 C ATOM 1583 CD1 PHE A 104 -0.315 4.114 5.008 1.00 0.00 C ATOM 1584 CD2 PHE A 104 0.158 5.785 3.373 1.00 0.00 C ATOM 1585 CE1 PHE A 104 1.012 4.114 5.394 1.00 0.00 C ATOM 1586 CE2 PHE A 104 1.486 5.788 3.756 1.00 0.00 C ATOM 1587 CZ PHE A 104 1.914 4.951 4.767 1.00 0.00 C ATOM 0 H PHE A 104 -4.858 5.797 3.295 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.817 5.837 5.434 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -2.600 3.942 3.688 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -2.263 5.203 2.519 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -1.015 3.456 5.501 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -0.170 6.441 2.580 1.00 0.00 H new ATOM 0 HE1 PHE A 104 1.344 3.459 6.186 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.189 6.445 3.265 1.00 0.00 H new ATOM 0 HZ PHE A 104 2.952 4.951 5.067 1.00 0.00 H new ATOM 1597 N ARG A 105 -1.617 7.864 4.283 1.00 0.00 N ATOM 1598 CA ARG A 105 -1.231 9.222 3.919 1.00 0.00 C ATOM 1599 C ARG A 105 0.288 9.360 3.866 1.00 0.00 C ATOM 1600 O ARG A 105 0.992 8.949 4.789 1.00 0.00 O ATOM 1601 CB ARG A 105 -1.810 10.225 4.918 1.00 0.00 C ATOM 1602 CG ARG A 105 -1.355 11.655 4.679 1.00 0.00 C ATOM 1603 CD ARG A 105 -1.849 12.587 5.774 1.00 0.00 C ATOM 1604 NE ARG A 105 -3.307 12.650 5.823 1.00 0.00 N ATOM 1605 CZ ARG A 105 -4.038 13.404 5.010 1.00 0.00 C ATOM 1606 NH1 ARG A 105 -3.449 14.156 4.090 1.00 0.00 N ATOM 1607 NH2 ARG A 105 -5.360 13.408 5.116 1.00 0.00 N ATOM 0 H ARG A 105 -0.916 7.357 4.823 1.00 0.00 H new ATOM 0 HA ARG A 105 -1.633 9.433 2.928 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -2.898 10.186 4.869 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -1.525 9.926 5.927 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.266 11.689 4.634 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -1.724 11.999 3.713 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -1.468 12.248 6.737 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.448 13.587 5.607 1.00 0.00 H new ATOM 0 HE ARG A 105 -3.791 12.084 6.520 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -2.432 14.156 4.006 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -4.013 14.734 3.467 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -5.817 12.831 5.823 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -5.920 13.988 4.491 1.00 0.00 H new ATOM 1621 N PHE A 106 0.787 9.940 2.780 1.00 0.00 N ATOM 1622 CA PHE A 106 2.222 10.131 2.606 1.00 0.00 C ATOM 1623 C PHE A 106 2.651 11.510 3.099 1.00 0.00 C ATOM 1624 O PHE A 106 2.115 12.531 2.666 1.00 0.00 O ATOM 1625 CB PHE A 106 2.606 9.961 1.134 1.00 0.00 C ATOM 1626 CG PHE A 106 2.316 8.590 0.594 1.00 0.00 C ATOM 1627 CD1 PHE A 106 2.806 7.462 1.232 1.00 0.00 C ATOM 1628 CD2 PHE A 106 1.555 8.429 -0.552 1.00 0.00 C ATOM 1629 CE1 PHE A 106 2.542 6.199 0.737 1.00 0.00 C ATOM 1630 CE2 PHE A 106 1.286 7.169 -1.051 1.00 0.00 C ATOM 1631 CZ PHE A 106 1.781 6.052 -0.406 1.00 0.00 C ATOM 0 H PHE A 106 0.219 10.286 2.007 1.00 0.00 H new ATOM 0 HA PHE A 106 2.738 9.376 3.199 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.068 10.699 0.539 1.00 0.00 H new ATOM 0 HB3 PHE A 106 3.669 10.171 1.017 1.00 0.00 H new ATOM 0 HD1 PHE A 106 3.401 7.571 2.127 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.167 9.299 -1.062 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.930 5.328 1.244 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.689 7.057 -1.944 1.00 0.00 H new ATOM 0 HZ PHE A 106 1.573 5.066 -0.795 1.00 0.00 H new ATOM 1641 N LEU A 107 3.620 11.532 4.007 1.00 0.00 N ATOM 1642 CA LEU A 107 4.122 12.785 4.561 1.00 0.00 C ATOM 1643 C LEU A 107 5.206 13.379 3.667 1.00 0.00 C ATOM 1644 O LEU A 107 6.005 12.666 3.060 1.00 0.00 O ATOM 1645 CB LEU A 107 4.673 12.558 5.969 1.00 0.00 C ATOM 1646 CG LEU A 107 3.735 11.859 6.953 1.00 0.00 C ATOM 1647 CD1 LEU A 107 4.503 11.378 8.174 1.00 0.00 C ATOM 1648 CD2 LEU A 107 2.604 12.790 7.365 1.00 0.00 C ATOM 0 H LEU A 107 4.074 10.696 4.376 1.00 0.00 H new ATOM 0 HA LEU A 107 3.292 13.490 4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.587 11.970 5.889 1.00 0.00 H new ATOM 0 HB3 LEU A 107 4.952 13.525 6.388 1.00 0.00 H new ATOM 0 HG LEU A 107 3.302 10.991 6.457 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.818 10.883 8.863 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.276 10.675 7.864 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.966 12.230 8.672 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.946 12.276 8.066 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.019 13.678 7.842 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.035 13.084 6.483 1.00 0.00 H new ATOM 1660 N PRO A 108 5.238 14.718 3.586 1.00 0.00 N ATOM 1661 CA PRO A 108 6.221 15.438 2.772 1.00 0.00 C ATOM 1662 C PRO A 108 7.631 15.342 3.345 1.00 0.00 C ATOM 1663 O PRO A 108 7.819 15.356 4.561 1.00 0.00 O ATOM 1664 CB PRO A 108 5.725 16.885 2.814 1.00 0.00 C ATOM 1665 CG PRO A 108 4.945 16.982 4.080 1.00 0.00 C ATOM 1666 CD PRO A 108 4.317 15.631 4.283 1.00 0.00 C ATOM 0 HA PRO A 108 6.295 15.027 1.765 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.557 17.589 2.807 1.00 0.00 H new ATOM 0 HB3 PRO A 108 5.105 17.116 1.948 1.00 0.00 H new ATOM 0 HG2 PRO A 108 5.592 17.242 4.918 1.00 0.00 H new ATOM 0 HG3 PRO A 108 4.184 17.760 4.011 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.230 15.383 5.341 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.313 15.587 3.862 1.00 0.00 H new ATOM 1674 N VAL A 109 8.619 15.244 2.461 1.00 0.00 N ATOM 1675 CA VAL A 109 10.012 15.146 2.880 1.00 0.00 C ATOM 1676 C VAL A 109 10.702 16.504 2.813 1.00 0.00 C ATOM 1677 O VAL A 109 11.617 16.786 3.588 1.00 0.00 O ATOM 1678 CB VAL A 109 10.792 14.144 2.008 1.00 0.00 C ATOM 1679 CG1 VAL A 109 12.255 14.103 2.420 1.00 0.00 C ATOM 1680 CG2 VAL A 109 10.165 12.761 2.097 1.00 0.00 C ATOM 0 H VAL A 109 8.480 15.230 1.451 1.00 0.00 H new ATOM 0 HA VAL A 109 10.008 14.793 3.911 1.00 0.00 H new ATOM 0 HB VAL A 109 10.741 14.475 0.971 1.00 0.00 H new ATOM 0 HG11 VAL A 109 12.790 13.390 1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 109 12.695 15.093 2.300 1.00 0.00 H new ATOM 0 HG13 VAL A 109 12.331 13.797 3.463 1.00 0.00 H new ATOM 0 HG21 VAL A 109 10.728 12.065 1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.183 12.419 3.132 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.133 12.806 1.748 1.00 0.00 H new