USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 602 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 87 ASN : amide:sc= 0.773 K(o=2,f=-7.6!) USER MOD Set 1.2: A 89 LYS NZ :NH3+ -158:sc= 1.19 (180deg=-0.102) USER MOD Set 2.1: A 61 TYR OH : rot 119:sc= 1.59 USER MOD Set 2.2: A 65 LYS NZ :NH3+ 156:sc= 1.95 (180deg=-0.249) USER MOD Single : A 6 LYS NZ :NH3+ 158:sc= 1.58 (180deg=0.801) USER MOD Single : A 14 LYS NZ :NH3+ -168:sc= 0.603 (180deg=0.37) USER MOD Single : A 15 MET CE :methyl -136:sc= -0.404 (180deg=-1.97) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.0809 X(o=-0.081,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 153:sc= 0.964 (180deg=-0.767!) USER MOD Single : A 47 THR OG1 : rot 155:sc= 1.2 USER MOD Single : A 48 HIS : no HD1:sc= 1 K(o=1,f=-5!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0406 USER MOD Single : A 56 LYS NZ :NH3+ -145:sc= -0.319 (180deg=-0.869) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.489! C(o=-0.49!,f=-4.2!) USER MOD Single : A 67 LYS NZ :NH3+ 166:sc= 2.13 (180deg=1.05) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -118:sc= -0.522 (180deg=-2.94!) USER MOD Single : A 72 ASN : amide:sc= -0.861 K(o=-0.86,f=-0.18) USER MOD Single : A 73 LYS NZ :NH3+ -139:sc= 0.362 (180deg=0.194) USER MOD Single : A 75 LYS NZ :NH3+ 164:sc= 1.03 (180deg=0.711) USER MOD Single : A 78 ASN : amide:sc= -0.943! K(o=-0.94!,f=-0.19) USER MOD Single : A 86 ASN : amide:sc= 1.27 K(o=1.3,f=-0.051) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 5 3.145 11.218 5.573 1.00 0.00 N ATOM 67 CA PHE A 5 3.288 9.798 5.759 1.00 0.00 C ATOM 68 C PHE A 5 4.693 9.360 6.104 1.00 0.00 C ATOM 69 O PHE A 5 5.675 9.980 5.726 1.00 0.00 O ATOM 70 CB PHE A 5 2.786 9.049 4.541 1.00 0.00 C ATOM 71 CG PHE A 5 1.349 9.323 4.201 1.00 0.00 C ATOM 72 CD1 PHE A 5 0.330 8.617 4.802 1.00 0.00 C ATOM 73 CD2 PHE A 5 1.027 10.263 3.251 1.00 0.00 C ATOM 74 CE1 PHE A 5 -0.986 8.853 4.458 1.00 0.00 C ATOM 75 CE2 PHE A 5 -0.281 10.494 2.895 1.00 0.00 C ATOM 76 CZ PHE A 5 -1.287 9.790 3.497 1.00 0.00 C ATOM 0 HA PHE A 5 2.675 9.549 6.625 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.407 9.312 3.685 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.911 7.979 4.709 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.563 7.872 5.549 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.814 10.830 2.776 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.778 8.302 4.943 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.514 11.231 2.140 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.315 9.969 3.219 1.00 0.00 H new ATOM 86 N LYS A 6 4.751 8.283 6.839 1.00 0.00 N ATOM 87 CA LYS A 6 5.967 7.649 7.244 1.00 0.00 C ATOM 88 C LYS A 6 5.764 6.145 7.018 1.00 0.00 C ATOM 89 O LYS A 6 4.620 5.723 6.792 1.00 0.00 O ATOM 90 CB LYS A 6 6.238 7.914 8.736 1.00 0.00 C ATOM 91 CG LYS A 6 5.132 7.412 9.615 1.00 0.00 C ATOM 92 CD LYS A 6 5.626 6.972 10.956 1.00 0.00 C ATOM 93 CE LYS A 6 4.513 6.257 11.715 1.00 0.00 C ATOM 94 NZ LYS A 6 3.916 5.158 10.899 1.00 0.00 N ATOM 0 H LYS A 6 3.917 7.808 7.184 1.00 0.00 H new ATOM 0 HA LYS A 6 6.815 8.033 6.677 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.173 7.434 9.024 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.367 8.985 8.895 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.389 8.199 9.745 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.631 6.578 9.124 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.481 6.307 10.837 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.970 7.835 11.527 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.909 5.848 12.645 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.737 6.973 11.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.453 4.471 11.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.214 5.555 10.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.665 4.681 10.358 1.00 0.00 H new ATOM 108 N PRO A 7 6.822 5.319 7.055 1.00 0.00 N ATOM 109 CA PRO A 7 6.677 3.858 6.943 1.00 0.00 C ATOM 110 C PRO A 7 5.794 3.267 8.059 1.00 0.00 C ATOM 111 O PRO A 7 5.702 3.825 9.191 1.00 0.00 O ATOM 112 CB PRO A 7 8.111 3.345 7.088 1.00 0.00 C ATOM 113 CG PRO A 7 8.963 4.488 6.675 1.00 0.00 C ATOM 114 CD PRO A 7 8.243 5.715 7.145 1.00 0.00 C ATOM 0 HA PRO A 7 6.194 3.573 6.009 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.322 3.044 8.114 1.00 0.00 H new ATOM 0 HB3 PRO A 7 8.285 2.473 6.458 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.955 4.420 7.122 1.00 0.00 H new ATOM 0 HG3 PRO A 7 9.101 4.504 5.594 1.00 0.00 H new ATOM 0 HD2 PRO A 7 8.524 5.983 8.164 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.462 6.578 6.516 1.00 0.00 H new ATOM 122 N GLY A 8 5.114 2.195 7.737 1.00 0.00 N ATOM 123 CA GLY A 8 4.305 1.497 8.694 1.00 0.00 C ATOM 124 C GLY A 8 2.838 1.853 8.612 1.00 0.00 C ATOM 125 O GLY A 8 2.004 1.156 9.176 1.00 0.00 O ATOM 0 H GLY A 8 5.108 1.785 6.803 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.420 0.424 8.542 1.00 0.00 H new ATOM 0 HA3 GLY A 8 4.670 1.718 9.697 1.00 0.00 H new ATOM 129 N ASP A 9 2.516 2.930 7.914 1.00 0.00 N ATOM 130 CA ASP A 9 1.126 3.384 7.831 1.00 0.00 C ATOM 131 C ASP A 9 0.342 2.674 6.756 1.00 0.00 C ATOM 132 O ASP A 9 0.905 2.180 5.765 1.00 0.00 O ATOM 133 CB ASP A 9 1.000 4.903 7.651 1.00 0.00 C ATOM 134 CG ASP A 9 1.363 5.686 8.886 1.00 0.00 C ATOM 135 OD1 ASP A 9 0.547 5.799 9.802 1.00 0.00 O ATOM 136 OD2 ASP A 9 2.477 6.234 8.961 1.00 0.00 O ATOM 0 H ASP A 9 3.185 3.504 7.400 1.00 0.00 H new ATOM 0 HA ASP A 9 0.693 3.123 8.797 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.642 5.218 6.829 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.024 5.144 7.366 1.00 0.00 H new ATOM 141 N LEU A 10 -0.955 2.633 6.954 1.00 0.00 N ATOM 142 CA LEU A 10 -1.876 2.000 6.046 1.00 0.00 C ATOM 143 C LEU A 10 -2.513 3.046 5.183 1.00 0.00 C ATOM 144 O LEU A 10 -3.054 4.044 5.697 1.00 0.00 O ATOM 145 CB LEU A 10 -2.949 1.257 6.831 1.00 0.00 C ATOM 146 CG LEU A 10 -2.438 0.156 7.752 1.00 0.00 C ATOM 147 CD1 LEU A 10 -3.592 -0.533 8.461 1.00 0.00 C ATOM 148 CD2 LEU A 10 -1.604 -0.838 6.961 1.00 0.00 C ATOM 0 H LEU A 10 -1.406 3.048 7.769 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.338 1.287 5.421 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.504 1.980 7.429 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.654 0.819 6.125 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.804 0.603 8.517 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.203 -1.315 9.113 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.141 0.197 9.057 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.261 -0.975 7.723 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.243 -1.621 7.627 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.216 -1.283 6.176 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.754 -0.324 6.512 1.00 0.00 H new ATOM 160 N ILE A 11 -2.480 2.843 3.895 1.00 0.00 N ATOM 161 CA ILE A 11 -2.968 3.829 2.978 1.00 0.00 C ATOM 162 C ILE A 11 -3.701 3.211 1.798 1.00 0.00 C ATOM 163 O ILE A 11 -3.887 1.995 1.705 1.00 0.00 O ATOM 164 CB ILE A 11 -1.801 4.777 2.463 1.00 0.00 C ATOM 165 CG1 ILE A 11 -0.610 3.999 1.867 1.00 0.00 C ATOM 166 CG2 ILE A 11 -1.305 5.684 3.561 1.00 0.00 C ATOM 167 CD1 ILE A 11 -0.783 3.490 0.458 1.00 0.00 C ATOM 0 H ILE A 11 -2.117 1.997 3.457 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.685 4.432 3.534 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.241 5.376 1.665 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.268 4.645 1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.398 3.148 2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.507 6.319 3.176 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.126 6.307 3.917 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.923 5.082 4.386 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.118 2.960 0.149 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.635 2.811 0.419 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.958 4.331 -0.214 1.00 0.00 H new ATOM 179 N PHE A 12 -4.127 4.062 0.943 1.00 0.00 N ATOM 180 CA PHE A 12 -4.667 3.711 -0.315 1.00 0.00 C ATOM 181 C PHE A 12 -3.714 4.204 -1.334 1.00 0.00 C ATOM 182 O PHE A 12 -3.279 5.360 -1.281 1.00 0.00 O ATOM 183 CB PHE A 12 -6.055 4.294 -0.555 1.00 0.00 C ATOM 184 CG PHE A 12 -7.154 3.561 0.144 1.00 0.00 C ATOM 185 CD1 PHE A 12 -7.662 2.391 -0.397 1.00 0.00 C ATOM 186 CD2 PHE A 12 -7.686 4.032 1.321 1.00 0.00 C ATOM 187 CE1 PHE A 12 -8.679 1.708 0.225 1.00 0.00 C ATOM 188 CE2 PHE A 12 -8.706 3.350 1.951 1.00 0.00 C ATOM 189 CZ PHE A 12 -9.203 2.188 1.401 1.00 0.00 C ATOM 0 H PHE A 12 -4.108 5.068 1.108 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.797 2.630 -0.364 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.062 5.334 -0.229 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -6.257 4.294 -1.626 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.253 2.010 -1.321 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.302 4.943 1.756 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -9.065 0.797 -0.209 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.116 3.727 2.876 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.003 1.656 1.894 1.00 0.00 H new ATOM 199 N ALA A 13 -3.363 3.352 -2.215 1.00 0.00 N ATOM 200 CA ALA A 13 -2.402 3.642 -3.203 1.00 0.00 C ATOM 201 C ALA A 13 -3.095 3.793 -4.513 1.00 0.00 C ATOM 202 O ALA A 13 -3.951 2.978 -4.873 1.00 0.00 O ATOM 203 CB ALA A 13 -1.406 2.516 -3.255 1.00 0.00 C ATOM 0 H ALA A 13 -3.746 2.408 -2.271 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.875 4.568 -2.972 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.656 2.729 -4.017 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.919 2.415 -2.285 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.920 1.587 -3.501 1.00 0.00 H new ATOM 209 N LYS A 14 -2.770 4.836 -5.204 1.00 0.00 N ATOM 210 CA LYS A 14 -3.399 5.124 -6.433 1.00 0.00 C ATOM 211 C LYS A 14 -2.393 5.002 -7.571 1.00 0.00 C ATOM 212 O LYS A 14 -1.432 5.734 -7.628 1.00 0.00 O ATOM 213 CB LYS A 14 -4.002 6.547 -6.350 1.00 0.00 C ATOM 214 CG LYS A 14 -4.907 6.958 -7.505 1.00 0.00 C ATOM 215 CD LYS A 14 -4.156 7.150 -8.804 1.00 0.00 C ATOM 216 CE LYS A 14 -5.122 7.435 -9.929 1.00 0.00 C ATOM 217 NZ LYS A 14 -5.945 6.225 -10.231 1.00 0.00 N ATOM 0 H LYS A 14 -2.057 5.509 -4.924 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.201 4.413 -6.632 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.571 6.626 -5.423 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.183 7.264 -6.283 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.676 6.198 -7.645 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.418 7.885 -7.247 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.449 7.974 -8.705 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.575 6.256 -9.032 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.773 8.266 -9.656 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.573 7.740 -10.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.454 6.366 -11.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.324 5.395 -10.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.630 6.071 -9.464 1.00 0.00 H new ATOM 231 N MET A 15 -2.629 4.084 -8.473 1.00 0.00 N ATOM 232 CA MET A 15 -1.798 3.990 -9.662 1.00 0.00 C ATOM 233 C MET A 15 -2.601 4.311 -10.903 1.00 0.00 C ATOM 234 O MET A 15 -3.852 4.313 -10.874 1.00 0.00 O ATOM 235 CB MET A 15 -1.068 2.648 -9.822 1.00 0.00 C ATOM 236 CG MET A 15 -0.069 2.350 -8.730 1.00 0.00 C ATOM 237 SD MET A 15 1.106 1.056 -9.181 1.00 0.00 S ATOM 238 CE MET A 15 0.017 -0.314 -9.556 1.00 0.00 C ATOM 0 H MET A 15 -3.379 3.395 -8.416 1.00 0.00 H new ATOM 0 HA MET A 15 -1.014 4.736 -9.529 1.00 0.00 H new ATOM 0 HB2 MET A 15 -1.807 1.847 -9.851 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.552 2.641 -10.782 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.478 3.261 -8.487 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.603 2.050 -7.829 1.00 0.00 H new ATOM 0 HE1 MET A 15 0.411 -1.226 -9.107 1.00 0.00 H new ATOM 0 HE2 MET A 15 -0.975 -0.111 -9.153 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.049 -0.441 -10.637 1.00 0.00 H new ATOM 248 N LYS A 16 -1.911 4.683 -11.956 1.00 0.00 N ATOM 249 CA LYS A 16 -2.536 4.955 -13.245 1.00 0.00 C ATOM 250 C LYS A 16 -3.200 3.675 -13.771 1.00 0.00 C ATOM 251 O LYS A 16 -2.535 2.674 -13.962 1.00 0.00 O ATOM 252 CB LYS A 16 -1.486 5.442 -14.252 1.00 0.00 C ATOM 253 CG LYS A 16 -2.062 5.805 -15.619 1.00 0.00 C ATOM 254 CD LYS A 16 -0.982 6.240 -16.604 1.00 0.00 C ATOM 255 CE LYS A 16 -0.011 5.105 -16.930 1.00 0.00 C ATOM 256 NZ LYS A 16 1.009 5.514 -17.933 1.00 0.00 N ATOM 0 H LYS A 16 -0.899 4.808 -11.951 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.289 5.733 -13.118 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.978 6.314 -13.840 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.732 4.665 -14.381 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.597 4.947 -16.025 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.790 6.608 -15.503 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.451 6.591 -17.523 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.429 7.081 -16.187 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.488 4.782 -16.017 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.569 4.249 -17.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.647 4.715 -18.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.535 5.798 -18.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.559 6.315 -17.562 1.00 0.00 H new ATOM 270 N GLY A 17 -4.511 3.718 -13.957 1.00 0.00 N ATOM 271 CA GLY A 17 -5.244 2.545 -14.432 1.00 0.00 C ATOM 272 C GLY A 17 -5.776 1.713 -13.280 1.00 0.00 C ATOM 273 O GLY A 17 -6.623 0.820 -13.457 1.00 0.00 O ATOM 0 H GLY A 17 -5.088 4.542 -13.789 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.073 2.865 -15.064 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.589 1.932 -15.052 1.00 0.00 H new ATOM 277 N TYR A 18 -5.290 2.008 -12.103 1.00 0.00 N ATOM 278 CA TYR A 18 -5.672 1.313 -10.908 1.00 0.00 C ATOM 279 C TYR A 18 -6.579 2.172 -10.040 1.00 0.00 C ATOM 280 O TYR A 18 -6.515 3.426 -10.086 1.00 0.00 O ATOM 281 CB TYR A 18 -4.426 0.909 -10.099 1.00 0.00 C ATOM 282 CG TYR A 18 -3.592 -0.193 -10.720 1.00 0.00 C ATOM 283 CD1 TYR A 18 -2.827 0.029 -11.859 1.00 0.00 C ATOM 284 CD2 TYR A 18 -3.564 -1.460 -10.152 1.00 0.00 C ATOM 285 CE1 TYR A 18 -2.066 -0.975 -12.414 1.00 0.00 C ATOM 286 CE2 TYR A 18 -2.802 -2.472 -10.700 1.00 0.00 C ATOM 287 CZ TYR A 18 -2.057 -2.223 -11.834 1.00 0.00 C ATOM 288 OH TYR A 18 -1.281 -3.210 -12.373 1.00 0.00 O ATOM 0 H TYR A 18 -4.607 2.750 -11.948 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.217 0.418 -11.207 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.797 1.789 -9.965 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.743 0.589 -9.106 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.830 1.007 -12.317 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.149 -1.657 -9.266 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.479 -0.784 -13.300 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.789 -3.451 -10.245 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.384 -4.031 -11.848 1.00 0.00 H new ATOM 298 N PRO A 19 -7.448 1.525 -9.268 1.00 0.00 N ATOM 299 CA PRO A 19 -8.284 2.180 -8.288 1.00 0.00 C ATOM 300 C PRO A 19 -7.478 2.391 -7.014 1.00 0.00 C ATOM 301 O PRO A 19 -6.316 1.967 -6.942 1.00 0.00 O ATOM 302 CB PRO A 19 -9.409 1.174 -8.053 1.00 0.00 C ATOM 303 CG PRO A 19 -8.773 -0.153 -8.259 1.00 0.00 C ATOM 304 CD PRO A 19 -7.680 0.054 -9.273 1.00 0.00 C ATOM 0 HA PRO A 19 -8.656 3.155 -8.601 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.819 1.265 -7.047 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.233 1.331 -8.749 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.367 -0.539 -7.324 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.501 -0.882 -8.616 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.777 -0.492 -9.001 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.981 -0.298 -10.260 1.00 0.00 H new ATOM 312 N HIS A 20 -8.032 3.110 -6.069 1.00 0.00 N ATOM 313 CA HIS A 20 -7.370 3.286 -4.793 1.00 0.00 C ATOM 314 C HIS A 20 -7.318 1.925 -4.108 1.00 0.00 C ATOM 315 O HIS A 20 -8.339 1.383 -3.711 1.00 0.00 O ATOM 316 CB HIS A 20 -8.122 4.331 -3.944 1.00 0.00 C ATOM 317 CG HIS A 20 -8.102 5.705 -4.555 1.00 0.00 C ATOM 318 ND1 HIS A 20 -9.061 6.183 -5.434 1.00 0.00 N ATOM 319 CD2 HIS A 20 -7.178 6.682 -4.456 1.00 0.00 C ATOM 320 CE1 HIS A 20 -8.670 7.402 -5.843 1.00 0.00 C ATOM 321 NE2 HIS A 20 -7.539 7.745 -5.279 1.00 0.00 N ATOM 0 H HIS A 20 -8.933 3.581 -6.154 1.00 0.00 H new ATOM 0 HA HIS A 20 -6.355 3.661 -4.925 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -9.156 4.011 -3.815 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.676 4.374 -2.951 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.295 6.645 -3.835 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -9.216 8.017 -6.543 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -7.026 8.616 -5.415 1.00 0.00 H new ATOM 329 N TRP A 21 -6.132 1.394 -4.013 1.00 0.00 N ATOM 330 CA TRP A 21 -5.901 0.042 -3.555 1.00 0.00 C ATOM 331 C TRP A 21 -5.371 0.088 -2.136 1.00 0.00 C ATOM 332 O TRP A 21 -4.551 0.953 -1.827 1.00 0.00 O ATOM 333 CB TRP A 21 -4.839 -0.577 -4.479 1.00 0.00 C ATOM 334 CG TRP A 21 -4.733 -2.076 -4.459 1.00 0.00 C ATOM 335 CD1 TRP A 21 -4.240 -2.875 -3.464 1.00 0.00 C ATOM 336 CD2 TRP A 21 -5.093 -2.950 -5.529 1.00 0.00 C ATOM 337 NE1 TRP A 21 -4.308 -4.193 -3.844 1.00 0.00 N ATOM 338 CE2 TRP A 21 -4.818 -4.262 -5.112 1.00 0.00 C ATOM 339 CE3 TRP A 21 -5.633 -2.744 -6.801 1.00 0.00 C ATOM 340 CZ2 TRP A 21 -5.061 -5.361 -5.925 1.00 0.00 C ATOM 341 CZ3 TRP A 21 -5.873 -3.836 -7.607 1.00 0.00 C ATOM 342 CH2 TRP A 21 -5.588 -5.131 -7.165 1.00 0.00 C ATOM 0 H TRP A 21 -5.277 1.895 -4.255 1.00 0.00 H new ATOM 0 HA TRP A 21 -6.819 -0.545 -3.575 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -5.049 -0.262 -5.501 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.868 -0.161 -4.211 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -3.854 -2.522 -2.519 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -4.025 -4.990 -3.274 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -5.859 -1.746 -7.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.841 -6.364 -5.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -6.287 -3.689 -8.594 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -5.789 -5.968 -7.817 1.00 0.00 H new ATOM 353 N PRO A 22 -5.832 -0.797 -1.245 1.00 0.00 N ATOM 354 CA PRO A 22 -5.318 -0.845 0.111 1.00 0.00 C ATOM 355 C PRO A 22 -3.867 -1.328 0.100 1.00 0.00 C ATOM 356 O PRO A 22 -3.562 -2.456 -0.318 1.00 0.00 O ATOM 357 CB PRO A 22 -6.231 -1.863 0.814 1.00 0.00 C ATOM 358 CG PRO A 22 -6.806 -2.695 -0.282 1.00 0.00 C ATOM 359 CD PRO A 22 -6.870 -1.812 -1.493 1.00 0.00 C ATOM 0 HA PRO A 22 -5.319 0.125 0.608 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.669 -2.475 1.519 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.016 -1.362 1.381 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.185 -3.571 -0.472 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.798 -3.059 -0.014 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -6.671 -2.372 -2.407 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.855 -1.358 -1.605 1.00 0.00 H new ATOM 367 N ALA A 23 -2.990 -0.490 0.544 1.00 0.00 N ATOM 368 CA ALA A 23 -1.603 -0.769 0.519 1.00 0.00 C ATOM 369 C ALA A 23 -0.970 -0.159 1.731 1.00 0.00 C ATOM 370 O ALA A 23 -1.604 0.624 2.436 1.00 0.00 O ATOM 371 CB ALA A 23 -1.005 -0.205 -0.747 1.00 0.00 C ATOM 0 H ALA A 23 -3.226 0.420 0.939 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.426 -1.844 0.532 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.064 -0.418 -0.771 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.485 -0.663 -1.612 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.161 0.873 -0.774 1.00 0.00 H new ATOM 377 N ARG A 24 0.227 -0.515 2.018 1.00 0.00 N ATOM 378 CA ARG A 24 0.862 0.047 3.160 1.00 0.00 C ATOM 379 C ARG A 24 2.157 0.706 2.740 1.00 0.00 C ATOM 380 O ARG A 24 2.725 0.366 1.689 1.00 0.00 O ATOM 381 CB ARG A 24 1.121 -1.022 4.239 1.00 0.00 C ATOM 382 CG ARG A 24 2.450 -1.750 4.123 1.00 0.00 C ATOM 383 CD ARG A 24 2.696 -2.653 5.313 1.00 0.00 C ATOM 384 NE ARG A 24 4.114 -2.943 5.434 1.00 0.00 N ATOM 385 CZ ARG A 24 4.878 -2.549 6.456 1.00 0.00 C ATOM 386 NH1 ARG A 24 4.344 -2.099 7.586 1.00 0.00 N ATOM 387 NH2 ARG A 24 6.161 -2.649 6.358 1.00 0.00 N ATOM 0 H ARG A 24 0.785 -1.184 1.488 1.00 0.00 H new ATOM 0 HA ARG A 24 0.200 0.795 3.596 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.070 -0.546 5.218 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.317 -1.757 4.199 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.463 -2.342 3.208 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.258 -1.023 4.044 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.336 -2.174 6.223 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.136 -3.581 5.198 1.00 0.00 H new ATOM 0 HE ARG A 24 4.555 -3.483 4.690 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.330 -2.049 7.686 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.948 -1.804 8.353 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.580 -3.025 5.507 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.756 -2.352 7.131 1.00 0.00 H new ATOM 401 N VAL A 25 2.600 1.648 3.517 1.00 0.00 N ATOM 402 CA VAL A 25 3.879 2.262 3.291 1.00 0.00 C ATOM 403 C VAL A 25 4.890 1.391 3.999 1.00 0.00 C ATOM 404 O VAL A 25 4.801 1.218 5.216 1.00 0.00 O ATOM 405 CB VAL A 25 3.943 3.702 3.864 1.00 0.00 C ATOM 406 CG1 VAL A 25 5.280 4.352 3.537 1.00 0.00 C ATOM 407 CG2 VAL A 25 2.805 4.545 3.326 1.00 0.00 C ATOM 0 H VAL A 25 2.091 2.013 4.322 1.00 0.00 H new ATOM 0 HA VAL A 25 4.072 2.343 2.221 1.00 0.00 H new ATOM 0 HB VAL A 25 3.844 3.638 4.948 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.304 5.361 3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.087 3.763 3.973 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.408 4.397 2.455 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.870 5.551 3.741 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.872 4.596 2.239 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.853 4.096 3.610 1.00 0.00 H new ATOM 417 N ASP A 26 5.801 0.818 3.268 1.00 0.00 N ATOM 418 CA ASP A 26 6.746 -0.117 3.866 1.00 0.00 C ATOM 419 C ASP A 26 7.991 0.644 4.305 1.00 0.00 C ATOM 420 O ASP A 26 8.099 1.861 4.070 1.00 0.00 O ATOM 421 CB ASP A 26 7.109 -1.255 2.875 1.00 0.00 C ATOM 422 CG ASP A 26 7.628 -2.514 3.577 1.00 0.00 C ATOM 423 OD1 ASP A 26 8.839 -2.643 3.838 1.00 0.00 O ATOM 424 OD2 ASP A 26 6.807 -3.385 3.928 1.00 0.00 O ATOM 0 H ASP A 26 5.920 0.970 2.267 1.00 0.00 H new ATOM 0 HA ASP A 26 6.285 -0.584 4.737 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.229 -1.511 2.285 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.866 -0.895 2.178 1.00 0.00 H new ATOM 429 N GLU A 27 8.904 -0.032 4.931 1.00 0.00 N ATOM 430 CA GLU A 27 10.109 0.563 5.392 1.00 0.00 C ATOM 431 C GLU A 27 11.182 0.405 4.328 1.00 0.00 C ATOM 432 O GLU A 27 11.053 -0.405 3.412 1.00 0.00 O ATOM 433 CB GLU A 27 10.598 -0.097 6.700 1.00 0.00 C ATOM 434 CG GLU A 27 9.612 -0.089 7.875 1.00 0.00 C ATOM 435 CD GLU A 27 8.480 -1.088 7.747 1.00 0.00 C ATOM 436 OE1 GLU A 27 8.748 -2.286 7.523 1.00 0.00 O ATOM 437 OE2 GLU A 27 7.311 -0.710 7.881 1.00 0.00 O ATOM 0 H GLU A 27 8.827 -1.028 5.137 1.00 0.00 H new ATOM 0 HA GLU A 27 9.915 1.617 5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.863 -1.132 6.483 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.512 0.406 7.016 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.160 -0.294 8.795 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.189 0.911 7.972 1.00 0.00 H new ATOM 597 N LYS A 39 9.063 9.713 -3.421 1.00 0.00 N ATOM 598 CA LYS A 39 7.937 8.859 -3.329 1.00 0.00 C ATOM 599 C LYS A 39 8.274 7.772 -2.318 1.00 0.00 C ATOM 600 O LYS A 39 9.460 7.492 -2.083 1.00 0.00 O ATOM 601 CB LYS A 39 7.552 8.276 -4.707 1.00 0.00 C ATOM 602 CG LYS A 39 7.435 9.335 -5.827 1.00 0.00 C ATOM 603 CD LYS A 39 6.843 8.763 -7.111 1.00 0.00 C ATOM 604 CE LYS A 39 5.314 8.777 -7.094 1.00 0.00 C ATOM 605 NZ LYS A 39 4.713 10.148 -7.182 1.00 0.00 N ATOM 0 HA LYS A 39 7.062 9.416 -2.995 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.297 7.535 -4.998 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.601 7.752 -4.615 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.813 10.160 -5.479 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.422 9.747 -6.038 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.201 9.340 -7.964 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.194 7.740 -7.248 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.947 8.177 -7.926 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.967 8.298 -6.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.768 10.086 -7.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.632 10.554 -6.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.321 10.757 -7.767 1.00 0.00 H new ATOM 619 N LEU A 40 7.270 7.194 -1.730 1.00 0.00 N ATOM 620 CA LEU A 40 7.426 6.224 -0.662 1.00 0.00 C ATOM 621 C LEU A 40 7.291 4.817 -1.225 1.00 0.00 C ATOM 622 O LEU A 40 6.677 4.630 -2.294 1.00 0.00 O ATOM 623 CB LEU A 40 6.320 6.453 0.383 1.00 0.00 C ATOM 624 CG LEU A 40 6.264 7.838 1.044 1.00 0.00 C ATOM 625 CD1 LEU A 40 5.019 7.962 1.886 1.00 0.00 C ATOM 626 CD2 LEU A 40 7.483 8.084 1.912 1.00 0.00 C ATOM 0 H LEU A 40 6.298 7.380 -1.976 1.00 0.00 H new ATOM 0 HA LEU A 40 8.408 6.339 -0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.358 6.266 -0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.436 5.707 1.169 1.00 0.00 H new ATOM 0 HG LEU A 40 6.247 8.584 0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.990 8.948 2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.139 7.831 1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.027 7.196 2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.413 9.073 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.530 7.328 2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.383 8.029 1.300 1.00 0.00 H new ATOM 638 N PRO A 41 7.885 3.809 -0.558 1.00 0.00 N ATOM 639 CA PRO A 41 7.708 2.429 -0.970 1.00 0.00 C ATOM 640 C PRO A 41 6.304 1.953 -0.569 1.00 0.00 C ATOM 641 O PRO A 41 5.929 1.978 0.614 1.00 0.00 O ATOM 642 CB PRO A 41 8.794 1.679 -0.175 1.00 0.00 C ATOM 643 CG PRO A 41 9.038 2.520 1.039 1.00 0.00 C ATOM 644 CD PRO A 41 8.765 3.941 0.632 1.00 0.00 C ATOM 0 HA PRO A 41 7.797 2.273 -2.045 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.461 0.678 0.099 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.704 1.563 -0.764 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.385 2.218 1.858 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.064 2.407 1.390 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.276 4.498 1.431 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.686 4.472 0.391 1.00 0.00 H new ATOM 652 N ILE A 42 5.540 1.525 -1.531 1.00 0.00 N ATOM 653 CA ILE A 42 4.180 1.127 -1.283 1.00 0.00 C ATOM 654 C ILE A 42 4.005 -0.344 -1.558 1.00 0.00 C ATOM 655 O ILE A 42 4.201 -0.801 -2.673 1.00 0.00 O ATOM 656 CB ILE A 42 3.181 1.939 -2.153 1.00 0.00 C ATOM 657 CG1 ILE A 42 3.298 3.448 -1.881 1.00 0.00 C ATOM 658 CG2 ILE A 42 1.747 1.469 -1.943 1.00 0.00 C ATOM 659 CD1 ILE A 42 3.037 3.858 -0.445 1.00 0.00 C ATOM 0 H ILE A 42 5.836 1.441 -2.503 1.00 0.00 H new ATOM 0 HA ILE A 42 3.966 1.330 -0.234 1.00 0.00 H new ATOM 0 HB ILE A 42 3.446 1.760 -3.195 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.299 3.777 -2.162 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.596 3.975 -2.528 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.076 2.059 -2.567 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.665 0.417 -2.216 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.473 1.595 -0.896 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.142 4.939 -0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.026 3.566 -0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.755 3.365 0.210 1.00 0.00 H new ATOM 671 N PHE A 43 3.642 -1.057 -0.555 1.00 0.00 N ATOM 672 CA PHE A 43 3.414 -2.470 -0.651 1.00 0.00 C ATOM 673 C PHE A 43 1.929 -2.729 -0.818 1.00 0.00 C ATOM 674 O PHE A 43 1.140 -2.382 0.069 1.00 0.00 O ATOM 675 CB PHE A 43 3.952 -3.180 0.608 1.00 0.00 C ATOM 676 CG PHE A 43 3.521 -4.615 0.724 1.00 0.00 C ATOM 677 CD1 PHE A 43 4.072 -5.583 -0.081 1.00 0.00 C ATOM 678 CD2 PHE A 43 2.540 -4.985 1.637 1.00 0.00 C ATOM 679 CE1 PHE A 43 3.658 -6.888 0.017 1.00 0.00 C ATOM 680 CE2 PHE A 43 2.127 -6.288 1.738 1.00 0.00 C ATOM 681 CZ PHE A 43 2.682 -7.241 0.930 1.00 0.00 C ATOM 0 H PHE A 43 3.489 -0.676 0.379 1.00 0.00 H new ATOM 0 HA PHE A 43 3.942 -2.867 -1.518 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.041 -3.137 0.601 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.617 -2.637 1.492 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.836 -5.315 -0.796 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.097 -4.235 2.276 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.096 -7.641 -0.621 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.366 -6.561 2.454 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.358 -8.269 1.005 1.00 0.00 H new ATOM 691 N PHE A 44 1.548 -3.289 -1.948 1.00 0.00 N ATOM 692 CA PHE A 44 0.139 -3.624 -2.184 1.00 0.00 C ATOM 693 C PHE A 44 -0.264 -4.888 -1.457 1.00 0.00 C ATOM 694 O PHE A 44 0.408 -5.928 -1.559 1.00 0.00 O ATOM 695 CB PHE A 44 -0.186 -3.811 -3.660 1.00 0.00 C ATOM 696 CG PHE A 44 -0.085 -2.585 -4.492 1.00 0.00 C ATOM 697 CD1 PHE A 44 -1.004 -1.559 -4.356 1.00 0.00 C ATOM 698 CD2 PHE A 44 0.904 -2.467 -5.432 1.00 0.00 C ATOM 699 CE1 PHE A 44 -0.925 -0.442 -5.147 1.00 0.00 C ATOM 700 CE2 PHE A 44 0.988 -1.362 -6.218 1.00 0.00 C ATOM 701 CZ PHE A 44 0.072 -0.342 -6.077 1.00 0.00 C ATOM 0 H PHE A 44 2.178 -3.524 -2.715 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.422 -2.771 -1.801 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.486 -4.565 -4.070 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.198 -4.206 -3.745 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.790 -1.639 -3.620 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.626 -3.262 -5.550 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.646 0.354 -5.036 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.774 -1.283 -6.955 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.142 0.536 -6.701 1.00 0.00 H new ATOM 711 N PHE A 45 -1.359 -4.814 -0.753 1.00 0.00 N ATOM 712 CA PHE A 45 -1.895 -5.959 -0.082 1.00 0.00 C ATOM 713 C PHE A 45 -2.699 -6.802 -1.068 1.00 0.00 C ATOM 714 O PHE A 45 -3.246 -6.277 -2.046 1.00 0.00 O ATOM 715 CB PHE A 45 -2.778 -5.548 1.101 1.00 0.00 C ATOM 716 CG PHE A 45 -2.033 -5.004 2.285 1.00 0.00 C ATOM 717 CD1 PHE A 45 -1.242 -5.837 3.043 1.00 0.00 C ATOM 718 CD2 PHE A 45 -2.146 -3.677 2.662 1.00 0.00 C ATOM 719 CE1 PHE A 45 -0.579 -5.368 4.147 1.00 0.00 C ATOM 720 CE2 PHE A 45 -1.482 -3.206 3.764 1.00 0.00 C ATOM 721 CZ PHE A 45 -0.698 -4.052 4.512 1.00 0.00 C ATOM 0 H PHE A 45 -1.902 -3.959 -0.630 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.065 -6.547 0.309 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.490 -4.796 0.761 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.358 -6.414 1.421 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.142 -6.875 2.764 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.763 -3.007 2.082 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.038 -6.036 4.730 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.575 -2.168 4.046 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.178 -3.682 5.383 1.00 0.00 H new ATOM 731 N GLY A 46 -2.731 -8.092 -0.828 1.00 0.00 N ATOM 732 CA GLY A 46 -3.480 -9.048 -1.630 1.00 0.00 C ATOM 733 C GLY A 46 -2.776 -9.492 -2.890 1.00 0.00 C ATOM 734 O GLY A 46 -3.090 -10.550 -3.436 1.00 0.00 O ATOM 0 H GLY A 46 -2.227 -8.522 -0.053 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.695 -9.925 -1.020 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.438 -8.605 -1.901 1.00 0.00 H new ATOM 738 N THR A 47 -1.824 -8.724 -3.353 1.00 0.00 N ATOM 739 CA THR A 47 -1.031 -9.147 -4.479 1.00 0.00 C ATOM 740 C THR A 47 0.435 -9.240 -4.087 1.00 0.00 C ATOM 741 O THR A 47 1.203 -9.983 -4.687 1.00 0.00 O ATOM 742 CB THR A 47 -1.195 -8.183 -5.671 1.00 0.00 C ATOM 743 OG1 THR A 47 -0.904 -6.838 -5.259 1.00 0.00 O ATOM 744 CG2 THR A 47 -2.603 -8.241 -6.236 1.00 0.00 C ATOM 0 H THR A 47 -1.580 -7.810 -2.972 1.00 0.00 H new ATOM 0 HA THR A 47 -1.384 -10.132 -4.785 1.00 0.00 H new ATOM 0 HB THR A 47 -0.496 -8.491 -6.448 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.624 -6.311 -6.036 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.687 -7.550 -7.075 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.817 -9.254 -6.577 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.317 -7.960 -5.462 1.00 0.00 H new ATOM 752 N HIS A 48 0.799 -8.505 -3.017 1.00 0.00 N ATOM 753 CA HIS A 48 2.176 -8.435 -2.507 1.00 0.00 C ATOM 754 C HIS A 48 3.097 -7.695 -3.462 1.00 0.00 C ATOM 755 O HIS A 48 4.319 -7.784 -3.357 1.00 0.00 O ATOM 756 CB HIS A 48 2.752 -9.814 -2.085 1.00 0.00 C ATOM 757 CG HIS A 48 2.232 -10.306 -0.762 1.00 0.00 C ATOM 758 ND1 HIS A 48 3.055 -10.731 0.273 1.00 0.00 N ATOM 759 CD2 HIS A 48 0.965 -10.429 -0.297 1.00 0.00 C ATOM 760 CE1 HIS A 48 2.303 -11.086 1.305 1.00 0.00 C ATOM 761 NE2 HIS A 48 1.042 -10.912 0.980 1.00 0.00 N ATOM 0 H HIS A 48 0.139 -7.941 -2.482 1.00 0.00 H new ATOM 0 HA HIS A 48 2.123 -7.850 -1.589 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.514 -10.548 -2.855 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.839 -9.744 -2.035 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.060 -10.189 -0.836 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.665 -11.456 2.253 1.00 0.00 H new ATOM 0 HE2 HIS A 48 0.245 -11.107 1.586 1.00 0.00 H new ATOM 770 N GLU A 49 2.490 -6.915 -4.340 1.00 0.00 N ATOM 771 CA GLU A 49 3.205 -6.101 -5.298 1.00 0.00 C ATOM 772 C GLU A 49 3.765 -4.864 -4.622 1.00 0.00 C ATOM 773 O GLU A 49 3.542 -4.630 -3.428 1.00 0.00 O ATOM 774 CB GLU A 49 2.272 -5.678 -6.407 1.00 0.00 C ATOM 775 CG GLU A 49 1.777 -6.805 -7.272 1.00 0.00 C ATOM 776 CD GLU A 49 0.724 -6.335 -8.233 1.00 0.00 C ATOM 777 OE1 GLU A 49 -0.395 -6.025 -7.763 1.00 0.00 O ATOM 778 OE2 GLU A 49 1.010 -6.250 -9.433 1.00 0.00 O ATOM 0 H GLU A 49 1.476 -6.831 -4.405 1.00 0.00 H new ATOM 0 HA GLU A 49 4.025 -6.689 -5.710 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.413 -5.170 -5.968 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.784 -4.951 -7.038 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.612 -7.234 -7.826 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.371 -7.597 -6.643 1.00 0.00 H new ATOM 785 N THR A 50 4.483 -4.067 -5.356 1.00 0.00 N ATOM 786 CA THR A 50 5.068 -2.889 -4.799 1.00 0.00 C ATOM 787 C THR A 50 5.014 -1.763 -5.814 1.00 0.00 C ATOM 788 O THR A 50 5.128 -1.993 -7.015 1.00 0.00 O ATOM 789 CB THR A 50 6.529 -3.142 -4.408 1.00 0.00 C ATOM 790 OG1 THR A 50 6.628 -4.432 -3.794 1.00 0.00 O ATOM 791 CG2 THR A 50 6.996 -2.097 -3.405 1.00 0.00 C ATOM 0 H THR A 50 4.677 -4.214 -6.347 1.00 0.00 H new ATOM 0 HA THR A 50 4.505 -2.615 -3.907 1.00 0.00 H new ATOM 0 HB THR A 50 7.149 -3.089 -5.303 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.559 -4.604 -3.542 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.035 -2.289 -3.136 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.913 -1.105 -3.848 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.375 -2.148 -2.511 1.00 0.00 H new ATOM 799 N ALA A 51 4.821 -0.585 -5.324 1.00 0.00 N ATOM 800 CA ALA A 51 4.771 0.610 -6.130 1.00 0.00 C ATOM 801 C ALA A 51 5.523 1.709 -5.443 1.00 0.00 C ATOM 802 O ALA A 51 5.939 1.565 -4.285 1.00 0.00 O ATOM 803 CB ALA A 51 3.343 1.058 -6.318 1.00 0.00 C ATOM 0 H ALA A 51 4.689 -0.411 -4.328 1.00 0.00 H new ATOM 0 HA ALA A 51 5.217 0.391 -7.100 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.322 1.961 -6.928 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.777 0.270 -6.816 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.896 1.267 -5.346 1.00 0.00 H new ATOM 809 N PHE A 52 5.696 2.796 -6.146 1.00 0.00 N ATOM 810 CA PHE A 52 6.294 3.969 -5.598 1.00 0.00 C ATOM 811 C PHE A 52 5.359 5.102 -5.793 1.00 0.00 C ATOM 812 O PHE A 52 5.149 5.580 -6.908 1.00 0.00 O ATOM 813 CB PHE A 52 7.660 4.256 -6.225 1.00 0.00 C ATOM 814 CG PHE A 52 8.672 3.175 -5.943 1.00 0.00 C ATOM 815 CD1 PHE A 52 9.317 3.120 -4.716 1.00 0.00 C ATOM 816 CD2 PHE A 52 8.966 2.209 -6.892 1.00 0.00 C ATOM 817 CE1 PHE A 52 10.233 2.124 -4.442 1.00 0.00 C ATOM 818 CE2 PHE A 52 9.883 1.211 -6.624 1.00 0.00 C ATOM 819 CZ PHE A 52 10.516 1.168 -5.398 1.00 0.00 C ATOM 0 H PHE A 52 5.421 2.886 -7.124 1.00 0.00 H new ATOM 0 HA PHE A 52 6.475 3.820 -4.534 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.544 4.366 -7.303 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.036 5.207 -5.846 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.100 3.866 -3.966 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.473 2.237 -7.852 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.727 2.092 -3.482 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.104 0.465 -7.373 1.00 0.00 H new ATOM 0 HZ PHE A 52 11.232 0.388 -5.186 1.00 0.00 H new ATOM 829 N LEU A 53 4.793 5.517 -4.716 1.00 0.00 N ATOM 830 CA LEU A 53 3.849 6.574 -4.686 1.00 0.00 C ATOM 831 C LEU A 53 4.228 7.452 -3.540 1.00 0.00 C ATOM 832 O LEU A 53 4.648 6.959 -2.503 1.00 0.00 O ATOM 833 CB LEU A 53 2.433 6.031 -4.520 1.00 0.00 C ATOM 834 CG LEU A 53 1.893 5.164 -5.667 1.00 0.00 C ATOM 835 CD1 LEU A 53 0.591 4.570 -5.256 1.00 0.00 C ATOM 836 CD2 LEU A 53 1.703 5.983 -6.956 1.00 0.00 C ATOM 0 H LEU A 53 4.982 5.114 -3.798 1.00 0.00 H new ATOM 0 HA LEU A 53 3.858 7.135 -5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.398 5.443 -3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.758 6.875 -4.383 1.00 0.00 H new ATOM 0 HG LEU A 53 2.620 4.379 -5.875 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.201 3.953 -6.065 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.736 3.955 -4.368 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.118 5.367 -5.033 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.320 5.336 -7.745 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.994 6.791 -6.773 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.660 6.403 -7.264 1.00 0.00 H new ATOM 848 N GLY A 54 4.135 8.719 -3.717 1.00 0.00 N ATOM 849 CA GLY A 54 4.567 9.628 -2.722 1.00 0.00 C ATOM 850 C GLY A 54 3.484 9.916 -1.755 1.00 0.00 C ATOM 851 O GLY A 54 2.367 9.444 -1.924 1.00 0.00 O ATOM 0 H GLY A 54 3.756 9.155 -4.558 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.427 9.214 -2.196 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.896 10.555 -3.191 1.00 0.00 H new ATOM 855 N PRO A 55 3.756 10.719 -0.744 1.00 0.00 N ATOM 856 CA PRO A 55 2.784 11.021 0.297 1.00 0.00 C ATOM 857 C PRO A 55 1.597 11.839 -0.225 1.00 0.00 C ATOM 858 O PRO A 55 0.668 12.133 0.499 1.00 0.00 O ATOM 859 CB PRO A 55 3.592 11.834 1.299 1.00 0.00 C ATOM 860 CG PRO A 55 4.708 12.424 0.516 1.00 0.00 C ATOM 861 CD PRO A 55 5.046 11.412 -0.524 1.00 0.00 C ATOM 0 HA PRO A 55 2.339 10.118 0.714 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.981 12.610 1.759 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.967 11.204 2.105 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.411 13.369 0.061 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.567 12.633 1.154 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.414 11.879 -1.437 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.820 10.725 -0.183 1.00 0.00 H new ATOM 869 N LYS A 56 1.721 12.331 -1.427 1.00 0.00 N ATOM 870 CA LYS A 56 0.642 13.036 -2.075 1.00 0.00 C ATOM 871 C LYS A 56 -0.112 12.155 -3.075 1.00 0.00 C ATOM 872 O LYS A 56 -1.136 12.550 -3.600 1.00 0.00 O ATOM 873 CB LYS A 56 1.197 14.295 -2.692 1.00 0.00 C ATOM 874 CG LYS A 56 1.926 15.109 -1.643 1.00 0.00 C ATOM 875 CD LYS A 56 0.955 15.771 -0.658 1.00 0.00 C ATOM 876 CE LYS A 56 1.640 16.154 0.649 1.00 0.00 C ATOM 877 NZ LYS A 56 2.083 14.954 1.399 1.00 0.00 N ATOM 0 H LYS A 56 2.570 12.256 -1.987 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.110 13.312 -1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.877 14.042 -3.505 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.389 14.885 -3.125 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.614 14.464 -1.097 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.527 15.876 -2.131 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.525 16.661 -1.116 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.130 15.090 -0.449 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.499 16.791 0.438 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.954 16.737 1.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.985 15.127 2.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.497 14.139 1.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.079 14.754 1.176 1.00 0.00 H new ATOM 891 N ASP A 57 0.419 10.969 -3.322 1.00 0.00 N ATOM 892 CA ASP A 57 -0.168 10.019 -4.290 1.00 0.00 C ATOM 893 C ASP A 57 -1.007 8.997 -3.528 1.00 0.00 C ATOM 894 O ASP A 57 -1.755 8.198 -4.112 1.00 0.00 O ATOM 895 CB ASP A 57 0.942 9.231 -5.021 1.00 0.00 C ATOM 896 CG ASP A 57 1.991 10.040 -5.786 1.00 0.00 C ATOM 897 OD1 ASP A 57 2.896 10.632 -5.149 1.00 0.00 O ATOM 898 OD2 ASP A 57 2.035 9.992 -7.025 1.00 0.00 O ATOM 0 H ASP A 57 1.265 10.626 -2.867 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.764 10.584 -5.007 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.461 8.618 -4.284 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.464 8.549 -5.724 1.00 0.00 H new ATOM 903 N ILE A 58 -0.834 8.995 -2.223 1.00 0.00 N ATOM 904 CA ILE A 58 -1.500 8.074 -1.348 1.00 0.00 C ATOM 905 C ILE A 58 -2.482 8.787 -0.466 1.00 0.00 C ATOM 906 O ILE A 58 -2.359 9.986 -0.211 1.00 0.00 O ATOM 907 CB ILE A 58 -0.508 7.297 -0.463 1.00 0.00 C ATOM 908 CG1 ILE A 58 0.372 8.241 0.345 1.00 0.00 C ATOM 909 CG2 ILE A 58 0.334 6.387 -1.290 1.00 0.00 C ATOM 910 CD1 ILE A 58 1.444 7.546 1.148 1.00 0.00 C ATOM 0 H ILE A 58 -0.215 9.646 -1.740 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.025 7.365 -1.988 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.090 6.697 0.236 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.844 8.951 -0.334 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.258 8.818 1.022 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.028 5.848 -0.645 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.305 5.675 -1.812 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.895 6.972 -2.018 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.027 8.287 1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.981 6.856 1.854 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.100 6.992 0.477 1.00 0.00 H new ATOM 922 N PHE A 59 -3.429 8.042 0.017 1.00 0.00 N ATOM 923 CA PHE A 59 -4.487 8.574 0.834 1.00 0.00 C ATOM 924 C PHE A 59 -4.607 7.706 2.061 1.00 0.00 C ATOM 925 O PHE A 59 -4.388 6.511 1.972 1.00 0.00 O ATOM 926 CB PHE A 59 -5.818 8.596 0.047 1.00 0.00 C ATOM 927 CG PHE A 59 -5.797 9.488 -1.181 1.00 0.00 C ATOM 928 CD1 PHE A 59 -5.205 9.059 -2.365 1.00 0.00 C ATOM 929 CD2 PHE A 59 -6.352 10.755 -1.142 1.00 0.00 C ATOM 930 CE1 PHE A 59 -5.166 9.876 -3.475 1.00 0.00 C ATOM 931 CE2 PHE A 59 -6.320 11.575 -2.254 1.00 0.00 C ATOM 932 CZ PHE A 59 -5.725 11.135 -3.421 1.00 0.00 C ATOM 0 H PHE A 59 -3.493 7.037 -0.144 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.261 9.600 1.124 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.063 7.579 -0.260 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.615 8.929 0.711 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.770 8.072 -2.415 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.815 11.107 -0.232 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.698 9.530 -4.385 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.760 12.560 -2.211 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.698 11.776 -4.289 1.00 0.00 H new ATOM 942 N PRO A 60 -4.927 8.276 3.216 1.00 0.00 N ATOM 943 CA PRO A 60 -5.013 7.522 4.467 1.00 0.00 C ATOM 944 C PRO A 60 -6.131 6.517 4.470 1.00 0.00 C ATOM 945 O PRO A 60 -7.287 6.841 4.170 1.00 0.00 O ATOM 946 CB PRO A 60 -5.194 8.589 5.526 1.00 0.00 C ATOM 947 CG PRO A 60 -5.782 9.747 4.808 1.00 0.00 C ATOM 948 CD PRO A 60 -5.245 9.699 3.408 1.00 0.00 C ATOM 0 HA PRO A 60 -4.125 6.913 4.637 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.851 8.245 6.325 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.242 8.853 5.987 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.871 9.691 4.808 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.511 10.684 5.295 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.980 10.048 2.683 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -4.362 10.327 3.294 1.00 0.00 H new ATOM 956 N TYR A 61 -5.773 5.292 4.801 1.00 0.00 N ATOM 957 CA TYR A 61 -6.688 4.184 4.786 1.00 0.00 C ATOM 958 C TYR A 61 -7.835 4.379 5.751 1.00 0.00 C ATOM 959 O TYR A 61 -8.947 4.030 5.442 1.00 0.00 O ATOM 960 CB TYR A 61 -5.957 2.870 5.084 1.00 0.00 C ATOM 961 CG TYR A 61 -6.859 1.667 5.118 1.00 0.00 C ATOM 962 CD1 TYR A 61 -7.215 1.014 3.954 1.00 0.00 C ATOM 963 CD2 TYR A 61 -7.371 1.203 6.315 1.00 0.00 C ATOM 964 CE1 TYR A 61 -8.059 -0.071 3.980 1.00 0.00 C ATOM 965 CE2 TYR A 61 -8.216 0.127 6.350 1.00 0.00 C ATOM 966 CZ TYR A 61 -8.559 -0.504 5.179 1.00 0.00 C ATOM 967 OH TYR A 61 -9.404 -1.562 5.218 1.00 0.00 O ATOM 0 H TYR A 61 -4.827 5.043 5.090 1.00 0.00 H new ATOM 0 HA TYR A 61 -7.110 4.133 3.782 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.187 2.714 4.328 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.448 2.958 6.044 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.824 1.361 3.009 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.100 1.697 7.236 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.325 -0.577 3.064 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.611 -0.224 7.292 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.003 -2.281 5.749 1.00 0.00 H new ATOM 977 N SER A 62 -7.563 4.966 6.885 1.00 0.00 N ATOM 978 CA SER A 62 -8.567 5.118 7.913 1.00 0.00 C ATOM 979 C SER A 62 -9.688 6.055 7.449 1.00 0.00 C ATOM 980 O SER A 62 -10.870 5.704 7.488 1.00 0.00 O ATOM 981 CB SER A 62 -7.905 5.647 9.177 1.00 0.00 C ATOM 982 OG SER A 62 -6.760 4.861 9.500 1.00 0.00 O ATOM 0 H SER A 62 -6.649 5.350 7.125 1.00 0.00 H new ATOM 0 HA SER A 62 -9.020 4.149 8.121 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.612 6.687 9.035 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.615 5.626 10.004 1.00 0.00 H new ATOM 0 HG SER A 62 -6.341 5.212 10.314 1.00 0.00 H new ATOM 988 N GLU A 63 -9.297 7.206 6.948 1.00 0.00 N ATOM 989 CA GLU A 63 -10.224 8.230 6.521 1.00 0.00 C ATOM 990 C GLU A 63 -10.811 7.947 5.167 1.00 0.00 C ATOM 991 O GLU A 63 -11.615 8.726 4.676 1.00 0.00 O ATOM 992 CB GLU A 63 -9.564 9.605 6.483 1.00 0.00 C ATOM 993 CG GLU A 63 -8.936 10.023 7.780 1.00 0.00 C ATOM 994 CD GLU A 63 -7.471 9.668 7.900 1.00 0.00 C ATOM 995 OE1 GLU A 63 -7.135 8.483 7.983 1.00 0.00 O ATOM 996 OE2 GLU A 63 -6.644 10.617 7.926 1.00 0.00 O ATOM 0 H GLU A 63 -8.317 7.460 6.824 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.025 8.225 7.260 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.800 9.607 5.705 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.311 10.346 6.199 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.048 11.101 7.895 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.480 9.557 8.601 1.00 0.00 H new ATOM 1003 N ASN A 64 -10.350 6.914 4.524 1.00 0.00 N ATOM 1004 CA ASN A 64 -10.886 6.553 3.232 1.00 0.00 C ATOM 1005 C ASN A 64 -11.369 5.097 3.194 1.00 0.00 C ATOM 1006 O ASN A 64 -11.692 4.571 2.127 1.00 0.00 O ATOM 1007 CB ASN A 64 -9.863 6.843 2.120 1.00 0.00 C ATOM 1008 CG ASN A 64 -9.532 8.335 1.989 1.00 0.00 C ATOM 1009 OD1 ASN A 64 -10.146 9.057 1.220 1.00 0.00 O ATOM 1010 ND2 ASN A 64 -8.584 8.810 2.771 1.00 0.00 N ATOM 0 H ASN A 64 -9.607 6.305 4.866 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.764 7.174 3.053 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.946 6.289 2.323 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.253 6.478 1.170 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -8.349 9.802 2.742 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.085 8.186 3.405 1.00 0.00 H new ATOM 1017 N LYS A 65 -11.477 4.463 4.368 1.00 0.00 N ATOM 1018 CA LYS A 65 -11.918 3.054 4.462 1.00 0.00 C ATOM 1019 C LYS A 65 -13.397 2.943 4.134 1.00 0.00 C ATOM 1020 O LYS A 65 -13.870 1.952 3.569 1.00 0.00 O ATOM 1021 CB LYS A 65 -11.625 2.476 5.860 1.00 0.00 C ATOM 1022 CG LYS A 65 -12.080 1.030 6.076 1.00 0.00 C ATOM 1023 CD LYS A 65 -11.679 0.537 7.467 1.00 0.00 C ATOM 1024 CE LYS A 65 -12.096 -0.917 7.748 1.00 0.00 C ATOM 1025 NZ LYS A 65 -11.504 -1.893 6.804 1.00 0.00 N ATOM 0 H LYS A 65 -11.267 4.896 5.267 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.355 2.469 3.734 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.552 2.533 6.042 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.109 3.107 6.605 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.162 0.963 5.959 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.637 0.387 5.316 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.598 0.624 7.577 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.129 1.187 8.218 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.802 -1.181 8.764 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.182 -0.991 7.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.471 -2.832 7.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.085 -1.939 5.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.540 -1.594 6.555 1.00 0.00 H new ATOM 1039 N GLU A 66 -14.119 3.951 4.464 1.00 0.00 N ATOM 1040 CA GLU A 66 -15.484 4.012 4.143 1.00 0.00 C ATOM 1041 C GLU A 66 -15.701 4.312 2.665 1.00 0.00 C ATOM 1042 O GLU A 66 -16.643 3.801 2.049 1.00 0.00 O ATOM 1043 CB GLU A 66 -16.231 4.950 5.072 1.00 0.00 C ATOM 1044 CG GLU A 66 -15.442 6.091 5.672 1.00 0.00 C ATOM 1045 CD GLU A 66 -14.853 7.040 4.673 1.00 0.00 C ATOM 1046 OE1 GLU A 66 -13.765 6.753 4.173 1.00 0.00 O ATOM 1047 OE2 GLU A 66 -15.461 8.081 4.363 1.00 0.00 O ATOM 0 H GLU A 66 -13.767 4.763 4.971 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.916 3.025 4.308 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.073 5.372 4.523 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.647 4.359 5.888 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.093 6.650 6.344 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.636 5.678 6.279 1.00 0.00 H new ATOM 1054 N LYS A 67 -14.767 5.047 2.088 1.00 0.00 N ATOM 1055 CA LYS A 67 -14.826 5.463 0.693 1.00 0.00 C ATOM 1056 C LYS A 67 -14.389 4.377 -0.253 1.00 0.00 C ATOM 1057 O LYS A 67 -15.126 3.991 -1.140 1.00 0.00 O ATOM 1058 CB LYS A 67 -13.924 6.658 0.458 1.00 0.00 C ATOM 1059 CG LYS A 67 -14.157 7.744 1.353 1.00 0.00 C ATOM 1060 CD LYS A 67 -13.225 8.835 1.051 1.00 0.00 C ATOM 1061 CE LYS A 67 -13.562 9.995 1.868 1.00 0.00 C ATOM 1062 NZ LYS A 67 -13.661 9.664 3.316 1.00 0.00 N ATOM 0 H LYS A 67 -13.936 5.377 2.578 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.870 5.709 0.497 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.885 6.340 0.551 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.060 7.008 -0.565 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -15.185 8.093 1.258 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.026 7.414 2.384 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.201 8.520 1.251 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.279 9.093 -0.007 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.806 10.767 1.726 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.510 10.411 1.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.665 10.542 3.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.540 9.138 3.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.847 9.081 3.595 1.00 0.00 H new ATOM 1076 N TYR A 68 -13.190 3.888 -0.062 1.00 0.00 N ATOM 1077 CA TYR A 68 -12.596 2.942 -1.006 1.00 0.00 C ATOM 1078 C TYR A 68 -12.395 1.580 -0.385 1.00 0.00 C ATOM 1079 O TYR A 68 -11.862 0.670 -1.002 1.00 0.00 O ATOM 1080 CB TYR A 68 -11.266 3.485 -1.526 1.00 0.00 C ATOM 1081 CG TYR A 68 -11.378 4.862 -2.120 1.00 0.00 C ATOM 1082 CD1 TYR A 68 -12.091 5.071 -3.285 1.00 0.00 C ATOM 1083 CD2 TYR A 68 -10.773 5.950 -1.511 1.00 0.00 C ATOM 1084 CE1 TYR A 68 -12.203 6.331 -3.833 1.00 0.00 C ATOM 1085 CE2 TYR A 68 -10.876 7.216 -2.048 1.00 0.00 C ATOM 1086 CZ TYR A 68 -11.593 7.402 -3.209 1.00 0.00 C ATOM 1087 OH TYR A 68 -11.699 8.654 -3.750 1.00 0.00 O ATOM 0 H TYR A 68 -12.597 4.122 0.734 1.00 0.00 H new ATOM 0 HA TYR A 68 -13.290 2.825 -1.838 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -10.546 3.507 -0.708 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.872 2.803 -2.279 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -12.568 4.234 -3.774 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.211 5.804 -0.600 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -12.764 6.480 -4.744 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.399 8.054 -1.562 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.214 9.295 -3.189 1.00 0.00 H new ATOM 1097 N GLY A 69 -12.899 1.424 0.797 1.00 0.00 N ATOM 1098 CA GLY A 69 -12.709 0.196 1.538 1.00 0.00 C ATOM 1099 C GLY A 69 -13.821 -0.783 1.283 1.00 0.00 C ATOM 1100 O GLY A 69 -14.510 -1.211 2.199 1.00 0.00 O ATOM 0 H GLY A 69 -13.451 2.131 1.282 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.756 -0.254 1.259 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.657 0.418 2.604 1.00 0.00 H new ATOM 1104 N LYS A 70 -14.077 -1.031 0.040 1.00 0.00 N ATOM 1105 CA LYS A 70 -15.045 -2.013 -0.375 1.00 0.00 C ATOM 1106 C LYS A 70 -14.435 -2.861 -1.469 1.00 0.00 C ATOM 1107 O LYS A 70 -13.702 -2.337 -2.306 1.00 0.00 O ATOM 1108 CB LYS A 70 -16.400 -1.400 -0.797 1.00 0.00 C ATOM 1109 CG LYS A 70 -16.330 -0.273 -1.811 1.00 0.00 C ATOM 1110 CD LYS A 70 -15.972 1.093 -1.226 1.00 0.00 C ATOM 1111 CE LYS A 70 -16.988 1.632 -0.201 1.00 0.00 C ATOM 1112 NZ LYS A 70 -16.790 1.103 1.186 1.00 0.00 N ATOM 0 H LYS A 70 -13.616 -0.553 -0.734 1.00 0.00 H new ATOM 0 HA LYS A 70 -15.286 -2.641 0.483 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -17.024 -2.194 -1.207 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -16.903 -1.029 0.096 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.593 -0.532 -2.571 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -17.293 -0.196 -2.315 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.994 1.026 -0.749 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -15.880 1.811 -2.041 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -16.923 2.720 -0.177 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -17.995 1.380 -0.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.632 0.567 1.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.959 0.478 1.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.641 1.896 1.842 1.00 0.00 H new ATOM 1126 N PRO A 71 -14.705 -4.168 -1.489 1.00 0.00 N ATOM 1127 CA PRO A 71 -14.044 -5.057 -2.417 1.00 0.00 C ATOM 1128 C PRO A 71 -14.377 -4.802 -3.876 1.00 0.00 C ATOM 1129 O PRO A 71 -15.552 -4.834 -4.315 1.00 0.00 O ATOM 1130 CB PRO A 71 -14.480 -6.455 -2.003 1.00 0.00 C ATOM 1131 CG PRO A 71 -15.650 -6.290 -1.092 1.00 0.00 C ATOM 1132 CD PRO A 71 -15.657 -4.867 -0.608 1.00 0.00 C ATOM 0 HA PRO A 71 -12.966 -4.905 -2.365 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -14.750 -7.050 -2.875 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.668 -6.980 -1.499 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -16.578 -6.520 -1.616 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -15.580 -6.980 -0.251 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -16.653 -4.430 -0.676 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -15.351 -4.802 0.436 1.00 0.00 H new ATOM 1140 N ASN A 72 -13.330 -4.643 -4.642 1.00 0.00 N ATOM 1141 CA ASN A 72 -13.441 -4.415 -6.068 1.00 0.00 C ATOM 1142 C ASN A 72 -13.581 -5.721 -6.758 1.00 0.00 C ATOM 1143 O ASN A 72 -13.770 -6.753 -6.129 1.00 0.00 O ATOM 1144 CB ASN A 72 -12.206 -3.691 -6.657 1.00 0.00 C ATOM 1145 CG ASN A 72 -12.175 -2.197 -6.448 1.00 0.00 C ATOM 1146 OD1 ASN A 72 -11.660 -1.468 -7.282 1.00 0.00 O ATOM 1147 ND2 ASN A 72 -12.691 -1.748 -5.357 1.00 0.00 N ATOM 0 H ASN A 72 -12.370 -4.667 -4.298 1.00 0.00 H new ATOM 0 HA ASN A 72 -14.312 -3.779 -6.223 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.308 -4.122 -6.215 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.163 -3.893 -7.727 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -12.680 -0.747 -5.162 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.111 -2.393 -4.688 1.00 0.00 H new ATOM 1154 N LYS A 73 -13.550 -5.687 -8.039 1.00 0.00 N ATOM 1155 CA LYS A 73 -13.524 -6.886 -8.804 1.00 0.00 C ATOM 1156 C LYS A 73 -12.137 -7.040 -9.384 1.00 0.00 C ATOM 1157 O LYS A 73 -11.901 -7.754 -10.335 1.00 0.00 O ATOM 1158 CB LYS A 73 -14.667 -6.928 -9.838 1.00 0.00 C ATOM 1159 CG LYS A 73 -16.053 -7.091 -9.176 1.00 0.00 C ATOM 1160 CD LYS A 73 -16.549 -5.814 -8.472 1.00 0.00 C ATOM 1161 CE LYS A 73 -17.560 -6.125 -7.366 1.00 0.00 C ATOM 1162 NZ LYS A 73 -16.916 -6.793 -6.179 1.00 0.00 N ATOM 0 H LYS A 73 -13.542 -4.829 -8.591 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.717 -7.755 -8.175 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -14.654 -6.011 -10.427 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -14.498 -7.754 -10.529 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -16.778 -7.383 -9.936 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -16.007 -7.903 -8.450 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.699 -5.281 -8.047 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -17.007 -5.150 -9.205 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -18.040 -5.201 -7.045 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -18.344 -6.770 -7.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.535 -7.552 -5.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.000 -7.197 -6.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.767 -6.092 -5.425 1.00 0.00 H new ATOM 1176 N ARG A 74 -11.211 -6.343 -8.735 1.00 0.00 N ATOM 1177 CA ARG A 74 -9.810 -6.448 -9.030 1.00 0.00 C ATOM 1178 C ARG A 74 -9.263 -7.598 -8.204 1.00 0.00 C ATOM 1179 O ARG A 74 -9.408 -7.595 -6.972 1.00 0.00 O ATOM 1180 CB ARG A 74 -9.086 -5.153 -8.624 1.00 0.00 C ATOM 1181 CG ARG A 74 -9.453 -3.905 -9.419 1.00 0.00 C ATOM 1182 CD ARG A 74 -8.864 -3.920 -10.826 1.00 0.00 C ATOM 1183 NE ARG A 74 -9.222 -2.693 -11.572 1.00 0.00 N ATOM 1184 CZ ARG A 74 -8.355 -1.876 -12.228 1.00 0.00 C ATOM 1185 NH1 ARG A 74 -7.045 -2.155 -12.273 1.00 0.00 N ATOM 1186 NH2 ARG A 74 -8.807 -0.785 -12.839 1.00 0.00 N ATOM 0 H ARG A 74 -11.427 -5.687 -7.985 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.658 -6.614 -10.097 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.289 -4.961 -7.570 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.012 -5.316 -8.717 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.538 -3.824 -9.483 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.098 -3.022 -8.888 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.779 -4.009 -10.767 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.227 -4.795 -11.365 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.209 -2.437 -11.596 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -6.685 -2.990 -11.811 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.408 -1.532 -12.769 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.802 -0.562 -12.815 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.159 -0.171 -13.332 1.00 0.00 H new ATOM 1200 N LYS A 75 -8.706 -8.583 -8.866 1.00 0.00 N ATOM 1201 CA LYS A 75 -8.092 -9.717 -8.196 1.00 0.00 C ATOM 1202 C LYS A 75 -6.945 -9.225 -7.318 1.00 0.00 C ATOM 1203 O LYS A 75 -6.053 -8.539 -7.802 1.00 0.00 O ATOM 1204 CB LYS A 75 -7.568 -10.704 -9.245 1.00 0.00 C ATOM 1205 CG LYS A 75 -6.919 -11.956 -8.672 1.00 0.00 C ATOM 1206 CD LYS A 75 -7.898 -12.802 -7.867 1.00 0.00 C ATOM 1207 CE LYS A 75 -7.219 -14.041 -7.292 1.00 0.00 C ATOM 1208 NZ LYS A 75 -6.113 -13.689 -6.366 1.00 0.00 N ATOM 0 H LYS A 75 -8.663 -8.627 -9.884 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.829 -10.221 -7.570 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.395 -11.002 -9.889 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.842 -10.191 -9.876 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.510 -12.555 -9.486 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.082 -11.669 -8.035 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.316 -12.205 -7.057 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.730 -13.103 -8.503 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.956 -14.646 -6.764 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.830 -14.652 -8.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.859 -14.521 -5.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.286 -13.379 -6.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.419 -12.919 -5.737 1.00 0.00 H new ATOM 1222 N GLY A 76 -6.993 -9.546 -6.044 1.00 0.00 N ATOM 1223 CA GLY A 76 -5.968 -9.116 -5.133 1.00 0.00 C ATOM 1224 C GLY A 76 -6.473 -8.044 -4.201 1.00 0.00 C ATOM 1225 O GLY A 76 -5.998 -7.902 -3.089 1.00 0.00 O ATOM 0 H GLY A 76 -7.734 -10.104 -5.620 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.615 -9.968 -4.552 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.114 -8.738 -5.696 1.00 0.00 H new ATOM 1229 N PHE A 77 -7.483 -7.328 -4.642 1.00 0.00 N ATOM 1230 CA PHE A 77 -8.021 -6.220 -3.880 1.00 0.00 C ATOM 1231 C PHE A 77 -8.837 -6.747 -2.708 1.00 0.00 C ATOM 1232 O PHE A 77 -8.816 -6.189 -1.611 1.00 0.00 O ATOM 1233 CB PHE A 77 -8.907 -5.366 -4.793 1.00 0.00 C ATOM 1234 CG PHE A 77 -9.305 -4.021 -4.246 1.00 0.00 C ATOM 1235 CD1 PHE A 77 -10.251 -3.899 -3.240 1.00 0.00 C ATOM 1236 CD2 PHE A 77 -8.742 -2.875 -4.763 1.00 0.00 C ATOM 1237 CE1 PHE A 77 -10.616 -2.661 -2.759 1.00 0.00 C ATOM 1238 CE2 PHE A 77 -9.103 -1.634 -4.286 1.00 0.00 C ATOM 1239 CZ PHE A 77 -10.041 -1.526 -3.282 1.00 0.00 C ATOM 0 H PHE A 77 -7.953 -7.494 -5.532 1.00 0.00 H new ATOM 0 HA PHE A 77 -7.204 -5.611 -3.493 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -8.384 -5.213 -5.737 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -9.813 -5.928 -5.018 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -10.708 -4.787 -2.828 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -8.008 -2.950 -5.552 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -11.352 -2.582 -1.973 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -8.650 -0.745 -4.699 1.00 0.00 H new ATOM 0 HZ PHE A 77 -10.324 -0.553 -2.907 1.00 0.00 H new ATOM 1249 N ASN A 78 -9.523 -7.848 -2.935 1.00 0.00 N ATOM 1250 CA ASN A 78 -10.419 -8.407 -1.918 1.00 0.00 C ATOM 1251 C ASN A 78 -9.585 -9.061 -0.850 1.00 0.00 C ATOM 1252 O ASN A 78 -9.821 -8.893 0.348 1.00 0.00 O ATOM 1253 CB ASN A 78 -11.431 -9.434 -2.506 1.00 0.00 C ATOM 1254 CG ASN A 78 -12.424 -8.861 -3.534 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -13.570 -9.282 -3.610 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -11.995 -7.927 -4.348 1.00 0.00 N ATOM 0 H ASN A 78 -9.485 -8.378 -3.806 1.00 0.00 H new ATOM 0 HA ASN A 78 -11.010 -7.590 -1.504 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -10.872 -10.242 -2.977 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -11.997 -9.874 -1.685 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -12.620 -7.542 -5.056 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.037 -7.586 -4.273 1.00 0.00 H new ATOM 1263 N GLU A 79 -8.578 -9.755 -1.304 1.00 0.00 N ATOM 1264 CA GLU A 79 -7.638 -10.436 -0.464 1.00 0.00 C ATOM 1265 C GLU A 79 -6.806 -9.413 0.300 1.00 0.00 C ATOM 1266 O GLU A 79 -6.451 -9.621 1.458 1.00 0.00 O ATOM 1267 CB GLU A 79 -6.723 -11.349 -1.302 1.00 0.00 C ATOM 1268 CG GLU A 79 -7.461 -12.274 -2.284 1.00 0.00 C ATOM 1269 CD GLU A 79 -7.730 -11.642 -3.653 1.00 0.00 C ATOM 1270 OE1 GLU A 79 -8.467 -10.634 -3.760 1.00 0.00 O ATOM 1271 OE2 GLU A 79 -7.198 -12.154 -4.646 1.00 0.00 O ATOM 0 H GLU A 79 -8.385 -9.864 -2.300 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.183 -11.060 0.244 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.028 -10.726 -1.864 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.127 -11.962 -0.626 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.874 -13.182 -2.423 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.411 -12.574 -1.841 1.00 0.00 H new ATOM 1278 N GLY A 80 -6.531 -8.293 -0.354 1.00 0.00 N ATOM 1279 CA GLY A 80 -5.787 -7.227 0.260 1.00 0.00 C ATOM 1280 C GLY A 80 -6.537 -6.591 1.384 1.00 0.00 C ATOM 1281 O GLY A 80 -5.940 -6.188 2.372 1.00 0.00 O ATOM 0 H GLY A 80 -6.818 -8.108 -1.315 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.839 -7.615 0.632 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.550 -6.472 -0.490 1.00 0.00 H new ATOM 1285 N LEU A 81 -7.853 -6.506 1.241 1.00 0.00 N ATOM 1286 CA LEU A 81 -8.694 -6.003 2.314 1.00 0.00 C ATOM 1287 C LEU A 81 -8.606 -6.925 3.511 1.00 0.00 C ATOM 1288 O LEU A 81 -8.597 -6.483 4.643 1.00 0.00 O ATOM 1289 CB LEU A 81 -10.147 -5.840 1.871 1.00 0.00 C ATOM 1290 CG LEU A 81 -10.425 -4.734 0.851 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -11.877 -4.767 0.446 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -10.078 -3.365 1.429 1.00 0.00 C ATOM 0 H LEU A 81 -8.357 -6.778 0.397 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.328 -5.014 2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.484 -6.787 1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.755 -5.650 2.756 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.800 -4.906 -0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.070 -3.978 -0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.109 -5.735 0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.503 -4.613 1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.284 -2.594 0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.681 -3.182 2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.021 -3.340 1.695 1.00 0.00 H new ATOM 1304 N TRP A 82 -8.483 -8.214 3.245 1.00 0.00 N ATOM 1305 CA TRP A 82 -8.331 -9.170 4.296 1.00 0.00 C ATOM 1306 C TRP A 82 -6.979 -8.959 4.975 1.00 0.00 C ATOM 1307 O TRP A 82 -6.904 -8.859 6.194 1.00 0.00 O ATOM 1308 CB TRP A 82 -8.473 -10.603 3.759 1.00 0.00 C ATOM 1309 CG TRP A 82 -8.238 -11.641 4.803 1.00 0.00 C ATOM 1310 CD1 TRP A 82 -9.136 -12.109 5.702 1.00 0.00 C ATOM 1311 CD2 TRP A 82 -7.017 -12.327 5.057 1.00 0.00 C ATOM 1312 NE1 TRP A 82 -8.540 -13.042 6.519 1.00 0.00 N ATOM 1313 CE2 TRP A 82 -7.236 -13.194 6.135 1.00 0.00 C ATOM 1314 CE3 TRP A 82 -5.759 -12.279 4.469 1.00 0.00 C ATOM 1315 CZ2 TRP A 82 -6.236 -14.013 6.645 1.00 0.00 C ATOM 1316 CZ3 TRP A 82 -4.761 -13.089 4.969 1.00 0.00 C ATOM 1317 CH2 TRP A 82 -5.006 -13.948 6.049 1.00 0.00 C ATOM 0 H TRP A 82 -8.487 -8.610 2.305 1.00 0.00 H new ATOM 0 HA TRP A 82 -9.121 -9.026 5.033 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -9.473 -10.732 3.344 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -7.767 -10.751 2.942 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -10.168 -11.796 5.768 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -8.995 -13.538 7.285 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.566 -11.620 3.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -6.422 -14.674 7.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -3.778 -13.061 4.523 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -4.206 -14.572 6.419 1.00 0.00 H new ATOM 1328 N GLU A 83 -5.932 -8.863 4.177 1.00 0.00 N ATOM 1329 CA GLU A 83 -4.591 -8.639 4.699 1.00 0.00 C ATOM 1330 C GLU A 83 -4.473 -7.367 5.521 1.00 0.00 C ATOM 1331 O GLU A 83 -3.951 -7.404 6.610 1.00 0.00 O ATOM 1332 CB GLU A 83 -3.508 -8.667 3.611 1.00 0.00 C ATOM 1333 CG GLU A 83 -3.146 -10.057 3.124 1.00 0.00 C ATOM 1334 CD GLU A 83 -1.865 -10.080 2.292 1.00 0.00 C ATOM 1335 OE1 GLU A 83 -1.856 -9.564 1.161 1.00 0.00 O ATOM 1336 OE2 GLU A 83 -0.844 -10.632 2.757 1.00 0.00 O ATOM 0 H GLU A 83 -5.982 -8.937 3.161 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.416 -9.483 5.366 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.848 -8.075 2.762 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.610 -8.185 3.997 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.028 -10.718 3.983 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -3.968 -10.453 2.528 1.00 0.00 H new ATOM 1343 N ILE A 84 -5.019 -6.279 5.039 1.00 0.00 N ATOM 1344 CA ILE A 84 -4.834 -4.997 5.703 1.00 0.00 C ATOM 1345 C ILE A 84 -5.647 -4.889 7.015 1.00 0.00 C ATOM 1346 O ILE A 84 -5.227 -4.226 7.961 1.00 0.00 O ATOM 1347 CB ILE A 84 -5.113 -3.803 4.733 1.00 0.00 C ATOM 1348 CG1 ILE A 84 -4.651 -2.482 5.341 1.00 0.00 C ATOM 1349 CG2 ILE A 84 -6.588 -3.728 4.358 1.00 0.00 C ATOM 1350 CD1 ILE A 84 -4.657 -1.327 4.365 1.00 0.00 C ATOM 0 H ILE A 84 -5.592 -6.246 4.196 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.785 -4.937 5.992 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.540 -3.981 3.823 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.295 -2.236 6.185 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.643 -2.607 5.736 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.749 -2.888 3.683 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.885 -4.653 3.864 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.186 -3.590 5.259 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.317 -0.423 4.869 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.990 -1.551 3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.668 -1.174 3.989 1.00 0.00 H new ATOM 1362 N ASP A 85 -6.771 -5.579 7.072 1.00 0.00 N ATOM 1363 CA ASP A 85 -7.627 -5.568 8.264 1.00 0.00 C ATOM 1364 C ASP A 85 -7.212 -6.631 9.282 1.00 0.00 C ATOM 1365 O ASP A 85 -7.564 -6.549 10.451 1.00 0.00 O ATOM 1366 CB ASP A 85 -9.111 -5.757 7.886 1.00 0.00 C ATOM 1367 CG ASP A 85 -9.809 -4.482 7.411 1.00 0.00 C ATOM 1368 OD1 ASP A 85 -9.555 -4.009 6.280 1.00 0.00 O ATOM 1369 OD2 ASP A 85 -10.654 -3.926 8.164 1.00 0.00 O ATOM 0 H ASP A 85 -7.121 -6.159 6.309 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.500 -4.590 8.728 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.180 -6.509 7.100 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.646 -6.149 8.751 1.00 0.00 H new ATOM 1374 N ASN A 86 -6.450 -7.621 8.842 1.00 0.00 N ATOM 1375 CA ASN A 86 -6.066 -8.734 9.730 1.00 0.00 C ATOM 1376 C ASN A 86 -4.597 -8.724 10.049 1.00 0.00 C ATOM 1377 O ASN A 86 -4.194 -8.720 11.218 1.00 0.00 O ATOM 1378 CB ASN A 86 -6.467 -10.096 9.138 1.00 0.00 C ATOM 1379 CG ASN A 86 -7.963 -10.305 9.122 1.00 0.00 C ATOM 1380 OD1 ASN A 86 -8.538 -10.875 10.038 1.00 0.00 O ATOM 1381 ND2 ASN A 86 -8.597 -9.835 8.094 1.00 0.00 N ATOM 0 H ASN A 86 -6.085 -7.687 7.892 1.00 0.00 H new ATOM 0 HA ASN A 86 -6.614 -8.585 10.660 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -6.082 -10.173 8.121 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -5.999 -10.892 9.717 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -9.610 -9.935 8.030 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -8.083 -9.365 7.349 1.00 0.00 H new ATOM 1388 N ASN A 87 -3.772 -8.711 9.037 1.00 0.00 N ATOM 1389 CA ASN A 87 -2.337 -8.718 9.275 1.00 0.00 C ATOM 1390 C ASN A 87 -1.653 -7.587 8.499 1.00 0.00 C ATOM 1391 O ASN A 87 -0.971 -7.829 7.525 1.00 0.00 O ATOM 1392 CB ASN A 87 -1.719 -10.075 8.895 1.00 0.00 C ATOM 1393 CG ASN A 87 -0.285 -10.226 9.377 1.00 0.00 C ATOM 1394 OD1 ASN A 87 0.095 -9.698 10.434 1.00 0.00 O ATOM 1395 ND2 ASN A 87 0.521 -10.933 8.623 1.00 0.00 N ATOM 0 H ASN A 87 -4.051 -8.696 8.056 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.176 -8.556 10.341 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.326 -10.876 9.317 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -1.747 -10.191 7.812 1.00 0.00 H new ATOM 0 HD21 ASN A 87 1.494 -11.063 8.899 1.00 0.00 H new ATOM 0 HD22 ASN A 87 0.175 -11.353 7.760 1.00 0.00 H new ATOM 1402 N PRO A 88 -1.828 -6.323 8.928 1.00 0.00 N ATOM 1403 CA PRO A 88 -1.289 -5.154 8.202 1.00 0.00 C ATOM 1404 C PRO A 88 0.226 -5.008 8.325 1.00 0.00 C ATOM 1405 O PRO A 88 0.835 -4.144 7.701 1.00 0.00 O ATOM 1406 CB PRO A 88 -1.996 -3.972 8.855 1.00 0.00 C ATOM 1407 CG PRO A 88 -2.336 -4.433 10.227 1.00 0.00 C ATOM 1408 CD PRO A 88 -2.599 -5.908 10.125 1.00 0.00 C ATOM 0 HA PRO A 88 -1.464 -5.240 7.130 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -1.351 -3.094 8.883 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.891 -3.693 8.300 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.518 -4.231 10.918 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.212 -3.908 10.607 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.266 -6.436 11.018 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.662 -6.118 10.008 1.00 0.00 H new ATOM 1416 N LYS A 89 0.815 -5.847 9.136 1.00 0.00 N ATOM 1417 CA LYS A 89 2.237 -5.811 9.377 1.00 0.00 C ATOM 1418 C LYS A 89 2.943 -6.815 8.471 1.00 0.00 C ATOM 1419 O LYS A 89 4.110 -7.132 8.668 1.00 0.00 O ATOM 1420 CB LYS A 89 2.533 -6.094 10.865 1.00 0.00 C ATOM 1421 CG LYS A 89 2.068 -7.461 11.356 1.00 0.00 C ATOM 1422 CD LYS A 89 2.310 -7.632 12.850 1.00 0.00 C ATOM 1423 CE LYS A 89 1.902 -9.024 13.340 1.00 0.00 C ATOM 1424 NZ LYS A 89 0.465 -9.326 13.082 1.00 0.00 N ATOM 0 H LYS A 89 0.322 -6.577 9.650 1.00 0.00 H new ATOM 0 HA LYS A 89 2.617 -4.816 9.144 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.607 -6.009 11.031 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.055 -5.323 11.470 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.006 -7.583 11.142 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.595 -8.243 10.810 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.365 -7.465 13.068 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.748 -6.875 13.398 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.521 -9.774 12.847 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.099 -9.101 14.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.146 -10.074 13.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.103 -8.469 13.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.349 -9.647 12.100 1.00 0.00 H new