USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 849 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 78 ASN : amide:sc= -0.216 K(o=-2.6,f=-0.53) USER MOD Set 1.2: A 92 ASN : amide:sc= -2.43! K(o=-2.6!,f=-0.24) USER MOD Set 2.1: A 34 SER OG : rot 120:sc= -0.646 USER MOD Set 2.2: A 53 LYS NZ :NH3+ -172:sc= 0.431 (180deg=-0.163) USER MOD Set 3.1: A 14 MET CE :methyl 137:sc= -0.805 (180deg=-1.97!) USER MOD Set 3.2: A 31 GLN : amide:sc= -0.523 K(o=-1.3,f=-0.78) USER MOD Set 4.1: A 7 CYS SG : rot 130:sc= -1.17 USER MOD Set 4.2: A 101 GLN : amide:sc= -3.71 K(o=-4.9,f=-0.58) USER MOD Single : A 4 THR OG1 : rot 26:sc= 0.0637 USER MOD Single : A 8 SER OG : rot -2:sc= 0.737! USER MOD Single : A 9 SER OG : rot 168:sc= -2.1! USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 100:sc= -0.743 USER MOD Single : A 20 ASN : amide:sc= -0.0779 X(o=-0.078,f=-0.078) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -5.98! C(o=-6!,f=-4!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -3.27 K(o=-3.3,f=-2.5) USER MOD Single : A 41 ASN : amide:sc= -0.552 K(o=-0.55,f=-5.4!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.114 X(o=-0.11,f=-0.0091) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 137:sc= -1.53 (180deg=-3.46!) USER MOD Single : A 55 GLN : amide:sc= -2.02 X(o=-2,f=-2.2!) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 59 GLN : amide:sc= -1.81! C(o=-1.8!,f=-3.6!) USER MOD Single : A 63 ASN : amide:sc= -1.65 K(o=-1.6,f=-5.1!) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot -141:sc= 0.399! USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -2.06 K(o=-2.1,f=-0.72) USER MOD Single : A 76 THR OG1 : rot -91:sc= -2.25! USER MOD Single : A 80 HIS : no HE2:sc= -6.5! C(o=-6.5!,f=-7.6!) USER MOD Single : A 81 GLN : amide:sc= -2.02! C(o=-2!,f=-3.1!) USER MOD Single : A 87 GLN : amide:sc= 0.685 K(o=0.69,f=-5.6!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl -129:sc= -14.3! (180deg=-18!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 4 12.149 9.434 4.222 1.00 0.00 N ATOM 47 CA THR A 4 12.112 9.943 2.856 1.00 0.00 C ATOM 48 C THR A 4 11.061 9.208 2.029 1.00 0.00 C ATOM 49 O THR A 4 11.261 8.061 1.633 1.00 0.00 O ATOM 50 CB THR A 4 13.488 9.796 2.202 1.00 0.00 C ATOM 51 OG1 THR A 4 14.469 10.514 2.931 1.00 0.00 O ATOM 52 CG2 THR A 4 13.528 10.289 0.771 1.00 0.00 C ATOM 0 HA THR A 4 11.844 10.999 2.893 1.00 0.00 H new ATOM 0 HB THR A 4 13.696 8.726 2.206 1.00 0.00 H new ATOM 0 HG1 THR A 4 14.185 10.600 3.865 1.00 0.00 H new ATOM 0 HG21 THR A 4 14.532 10.156 0.368 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.818 9.721 0.170 1.00 0.00 H new ATOM 0 HG23 THR A 4 13.263 11.346 0.743 1.00 0.00 H new ATOM 60 N VAL A 5 9.943 9.879 1.770 1.00 0.00 N ATOM 61 CA VAL A 5 8.865 9.287 0.987 1.00 0.00 C ATOM 62 C VAL A 5 9.345 8.944 -0.421 1.00 0.00 C ATOM 63 O VAL A 5 10.181 9.646 -0.991 1.00 0.00 O ATOM 64 CB VAL A 5 7.645 10.232 0.908 1.00 0.00 C ATOM 65 CG1 VAL A 5 6.660 9.773 -0.158 1.00 0.00 C ATOM 66 CG2 VAL A 5 6.955 10.320 2.261 1.00 0.00 C ATOM 0 H VAL A 5 9.761 10.830 2.090 1.00 0.00 H new ATOM 0 HA VAL A 5 8.559 8.370 1.491 1.00 0.00 H new ATOM 0 HB VAL A 5 8.005 11.222 0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.813 10.458 -0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.154 9.762 -1.130 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.307 8.770 0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.098 10.989 2.189 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.617 9.328 2.562 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.655 10.705 3.002 1.00 0.00 H new ATOM 76 N ILE A 6 8.822 7.852 -0.973 1.00 0.00 N ATOM 77 CA ILE A 6 9.211 7.412 -2.310 1.00 0.00 C ATOM 78 C ILE A 6 8.220 7.867 -3.377 1.00 0.00 C ATOM 79 O ILE A 6 8.538 8.720 -4.206 1.00 0.00 O ATOM 80 CB ILE A 6 9.349 5.878 -2.394 1.00 0.00 C ATOM 81 CG1 ILE A 6 9.736 5.290 -1.032 1.00 0.00 C ATOM 82 CG2 ILE A 6 10.375 5.509 -3.454 1.00 0.00 C ATOM 83 CD1 ILE A 6 10.364 3.913 -1.111 1.00 0.00 C ATOM 0 H ILE A 6 8.130 7.257 -0.517 1.00 0.00 H new ATOM 0 HA ILE A 6 10.179 7.875 -2.500 1.00 0.00 H new ATOM 0 HB ILE A 6 8.385 5.454 -2.677 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.433 5.968 -0.540 1.00 0.00 H new ATOM 0 HG13 ILE A 6 8.846 5.237 -0.405 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.468 4.424 -3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 6 10.053 5.895 -4.421 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.340 5.943 -3.193 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.609 3.567 -0.107 1.00 0.00 H new ATOM 0 HD12 ILE A 6 9.662 3.219 -1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 6 11.273 3.962 -1.710 1.00 0.00 H new ATOM 95 N CYS A 7 7.025 7.281 -3.369 1.00 0.00 N ATOM 96 CA CYS A 7 6.004 7.618 -4.356 1.00 0.00 C ATOM 97 C CYS A 7 4.666 7.932 -3.694 1.00 0.00 C ATOM 98 O CYS A 7 4.555 7.942 -2.468 1.00 0.00 O ATOM 99 CB CYS A 7 5.841 6.467 -5.350 1.00 0.00 C ATOM 100 SG CYS A 7 6.219 6.912 -7.061 1.00 0.00 S ATOM 0 H CYS A 7 6.741 6.573 -2.692 1.00 0.00 H new ATOM 0 HA CYS A 7 6.331 8.513 -4.886 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.490 5.645 -5.048 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.816 6.099 -5.299 1.00 0.00 H new ATOM 0 HG CYS A 7 7.042 6.041 -7.564 1.00 0.00 H new ATOM 106 N SER A 8 3.655 8.189 -4.524 1.00 0.00 N ATOM 107 CA SER A 8 2.316 8.512 -4.033 1.00 0.00 C ATOM 108 C SER A 8 1.252 8.192 -5.079 1.00 0.00 C ATOM 109 O SER A 8 1.334 8.651 -6.219 1.00 0.00 O ATOM 110 CB SER A 8 2.235 9.994 -3.662 1.00 0.00 C ATOM 111 OG SER A 8 1.992 10.796 -4.806 1.00 0.00 O ATOM 0 H SER A 8 3.738 8.180 -5.541 1.00 0.00 H new ATOM 0 HA SER A 8 2.128 7.902 -3.150 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.440 10.146 -2.932 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.166 10.304 -3.188 1.00 0.00 H new ATOM 0 HG SER A 8 1.962 10.228 -5.604 1.00 0.00 H new ATOM 117 N SER A 9 0.251 7.407 -4.689 1.00 0.00 N ATOM 118 CA SER A 9 -0.825 7.040 -5.605 1.00 0.00 C ATOM 119 C SER A 9 -2.195 7.150 -4.937 1.00 0.00 C ATOM 120 O SER A 9 -2.308 7.107 -3.712 1.00 0.00 O ATOM 121 CB SER A 9 -0.616 5.618 -6.120 1.00 0.00 C ATOM 122 OG SER A 9 -1.518 5.318 -7.169 1.00 0.00 O ATOM 0 H SER A 9 0.163 7.015 -3.751 1.00 0.00 H new ATOM 0 HA SER A 9 -0.799 7.739 -6.441 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.409 5.503 -6.473 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.753 4.909 -5.304 1.00 0.00 H new ATOM 0 HG SER A 9 -1.247 4.483 -7.605 1.00 0.00 H new ATOM 128 N ARG A 10 -3.236 7.280 -5.760 1.00 0.00 N ATOM 129 CA ARG A 10 -4.607 7.386 -5.266 1.00 0.00 C ATOM 130 C ARG A 10 -5.334 6.053 -5.424 1.00 0.00 C ATOM 131 O ARG A 10 -5.402 5.495 -6.523 1.00 0.00 O ATOM 132 CB ARG A 10 -5.359 8.487 -6.017 1.00 0.00 C ATOM 133 CG ARG A 10 -6.798 8.667 -5.551 1.00 0.00 C ATOM 134 CD ARG A 10 -7.790 8.450 -6.684 1.00 0.00 C ATOM 135 NE ARG A 10 -8.656 9.610 -6.883 1.00 0.00 N ATOM 136 CZ ARG A 10 -9.518 9.727 -7.890 1.00 0.00 C ATOM 137 NH1 ARG A 10 -9.632 8.760 -8.792 1.00 0.00 N ATOM 138 NH2 ARG A 10 -10.268 10.815 -7.997 1.00 0.00 N ATOM 0 H ARG A 10 -3.154 7.314 -6.776 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.574 7.643 -4.207 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.825 9.429 -5.894 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.357 8.256 -7.082 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.009 7.966 -4.744 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.925 9.670 -5.143 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.247 8.240 -7.606 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.401 7.574 -6.468 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.596 10.375 -6.211 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.057 7.921 -8.716 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.295 8.856 -9.561 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.184 11.562 -7.308 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.929 10.905 -8.769 1.00 0.00 H new ATOM 152 N ALA A 11 -5.873 5.540 -4.321 1.00 0.00 N ATOM 153 CA ALA A 11 -6.576 4.265 -4.347 1.00 0.00 C ATOM 154 C ALA A 11 -7.368 4.038 -3.066 1.00 0.00 C ATOM 155 O ALA A 11 -7.470 4.924 -2.222 1.00 0.00 O ATOM 156 CB ALA A 11 -5.579 3.135 -4.551 1.00 0.00 C ATOM 0 H ALA A 11 -5.836 5.986 -3.404 1.00 0.00 H new ATOM 0 HA ALA A 11 -7.283 4.284 -5.176 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.108 2.182 -4.570 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.055 3.278 -5.496 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.858 3.134 -3.733 1.00 0.00 H new ATOM 162 N THR A 12 -7.920 2.840 -2.929 1.00 0.00 N ATOM 163 CA THR A 12 -8.696 2.482 -1.750 1.00 0.00 C ATOM 164 C THR A 12 -8.128 1.223 -1.111 1.00 0.00 C ATOM 165 O THR A 12 -8.503 0.109 -1.477 1.00 0.00 O ATOM 166 CB THR A 12 -10.164 2.265 -2.124 1.00 0.00 C ATOM 167 OG1 THR A 12 -10.649 3.345 -2.901 1.00 0.00 O ATOM 168 CG2 THR A 12 -11.072 2.119 -0.922 1.00 0.00 C ATOM 0 H THR A 12 -7.844 2.097 -3.623 1.00 0.00 H new ATOM 0 HA THR A 12 -8.636 3.300 -1.032 1.00 0.00 H new ATOM 0 HB THR A 12 -10.183 1.333 -2.689 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.588 3.187 -3.131 1.00 0.00 H new ATOM 0 HG21 THR A 12 -12.098 1.968 -1.257 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.754 1.262 -0.328 1.00 0.00 H new ATOM 0 HG23 THR A 12 -11.018 3.022 -0.314 1.00 0.00 H new ATOM 176 N VAL A 13 -7.210 1.408 -0.165 1.00 0.00 N ATOM 177 CA VAL A 13 -6.575 0.285 0.521 1.00 0.00 C ATOM 178 C VAL A 13 -7.589 -0.799 0.875 1.00 0.00 C ATOM 179 O VAL A 13 -8.787 -0.536 0.983 1.00 0.00 O ATOM 180 CB VAL A 13 -5.839 0.750 1.795 1.00 0.00 C ATOM 181 CG1 VAL A 13 -5.335 -0.440 2.602 1.00 0.00 C ATOM 182 CG2 VAL A 13 -4.685 1.671 1.426 1.00 0.00 C ATOM 0 H VAL A 13 -6.889 2.325 0.144 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.845 -0.137 -0.169 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.545 1.301 2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.820 -0.083 3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.179 -1.064 2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.645 -1.025 1.995 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.173 1.993 2.332 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.985 1.137 0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.070 2.543 0.897 1.00 0.00 H new ATOM 192 N MET A 14 -7.096 -2.018 1.040 1.00 0.00 N ATOM 193 CA MET A 14 -7.948 -3.152 1.366 1.00 0.00 C ATOM 194 C MET A 14 -7.159 -4.226 2.107 1.00 0.00 C ATOM 195 O MET A 14 -6.051 -4.576 1.709 1.00 0.00 O ATOM 196 CB MET A 14 -8.557 -3.748 0.089 1.00 0.00 C ATOM 197 CG MET A 14 -9.942 -4.330 0.302 1.00 0.00 C ATOM 198 SD MET A 14 -11.018 -4.119 -1.130 1.00 0.00 S ATOM 199 CE MET A 14 -12.610 -3.930 -0.329 1.00 0.00 C ATOM 0 H MET A 14 -6.106 -2.247 0.953 1.00 0.00 H new ATOM 0 HA MET A 14 -8.750 -2.796 2.013 1.00 0.00 H new ATOM 0 HB2 MET A 14 -8.609 -2.974 -0.676 1.00 0.00 H new ATOM 0 HB3 MET A 14 -7.897 -4.528 -0.291 1.00 0.00 H new ATOM 0 HG2 MET A 14 -9.853 -5.392 0.531 1.00 0.00 H new ATOM 0 HG3 MET A 14 -10.401 -3.855 1.169 1.00 0.00 H new ATOM 0 HE1 MET A 14 -13.165 -3.124 -0.809 1.00 0.00 H new ATOM 0 HE2 MET A 14 -13.173 -4.859 -0.415 1.00 0.00 H new ATOM 0 HE3 MET A 14 -12.461 -3.692 0.724 1.00 0.00 H new ATOM 209 N LEU A 15 -7.737 -4.754 3.179 1.00 0.00 N ATOM 210 CA LEU A 15 -7.082 -5.797 3.962 1.00 0.00 C ATOM 211 C LEU A 15 -7.837 -7.113 3.825 1.00 0.00 C ATOM 212 O LEU A 15 -8.956 -7.249 4.314 1.00 0.00 O ATOM 213 CB LEU A 15 -6.991 -5.391 5.437 1.00 0.00 C ATOM 214 CG LEU A 15 -5.583 -5.038 5.934 1.00 0.00 C ATOM 215 CD1 LEU A 15 -5.560 -4.957 7.453 1.00 0.00 C ATOM 216 CD2 LEU A 15 -4.564 -6.056 5.442 1.00 0.00 C ATOM 0 H LEU A 15 -8.656 -4.479 3.526 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.070 -5.929 3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.642 -4.533 5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.379 -6.207 6.046 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.314 -4.063 5.529 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.554 -4.706 7.789 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.257 -4.188 7.787 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.853 -5.919 7.873 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.573 -5.785 5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.829 -7.046 5.814 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.558 -6.068 4.352 1.00 0.00 H new ATOM 228 N TYR A 16 -7.226 -8.078 3.146 1.00 0.00 N ATOM 229 CA TYR A 16 -7.858 -9.376 2.938 1.00 0.00 C ATOM 230 C TYR A 16 -7.912 -10.187 4.224 1.00 0.00 C ATOM 231 O TYR A 16 -6.966 -10.193 5.013 1.00 0.00 O ATOM 232 CB TYR A 16 -7.117 -10.175 1.866 1.00 0.00 C ATOM 233 CG TYR A 16 -7.967 -11.255 1.238 1.00 0.00 C ATOM 234 CD1 TYR A 16 -8.794 -10.972 0.160 1.00 0.00 C ATOM 235 CD2 TYR A 16 -7.948 -12.553 1.731 1.00 0.00 C ATOM 236 CE1 TYR A 16 -9.579 -11.953 -0.414 1.00 0.00 C ATOM 237 CE2 TYR A 16 -8.729 -13.542 1.165 1.00 0.00 C ATOM 238 CZ TYR A 16 -9.543 -13.237 0.092 1.00 0.00 C ATOM 239 OH TYR A 16 -10.324 -14.219 -0.474 1.00 0.00 O ATOM 0 H TYR A 16 -6.298 -7.987 2.732 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.879 -9.184 2.607 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.772 -9.494 1.088 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.231 -10.630 2.308 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.824 -9.968 -0.237 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.312 -12.793 2.570 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.217 -11.717 -1.253 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.703 -14.547 1.559 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.777 -14.765 -1.077 1.00 0.00 H new ATOM 249 N ASP A 17 -9.025 -10.887 4.416 1.00 0.00 N ATOM 250 CA ASP A 17 -9.210 -11.726 5.592 1.00 0.00 C ATOM 251 C ASP A 17 -9.289 -13.191 5.178 1.00 0.00 C ATOM 252 O ASP A 17 -10.375 -13.758 5.061 1.00 0.00 O ATOM 253 CB ASP A 17 -10.479 -11.317 6.346 1.00 0.00 C ATOM 254 CG ASP A 17 -10.234 -11.139 7.831 1.00 0.00 C ATOM 255 OD1 ASP A 17 -9.165 -10.609 8.197 1.00 0.00 O ATOM 256 OD2 ASP A 17 -11.113 -11.530 8.629 1.00 0.00 O ATOM 0 H ASP A 17 -9.814 -10.889 3.770 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.357 -11.592 6.257 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.862 -10.386 5.929 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.248 -12.074 6.195 1.00 0.00 H new ATOM 261 N ASP A 18 -8.127 -13.797 4.942 1.00 0.00 N ATOM 262 CA ASP A 18 -8.060 -15.195 4.525 1.00 0.00 C ATOM 263 C ASP A 18 -8.888 -16.090 5.444 1.00 0.00 C ATOM 264 O ASP A 18 -9.360 -17.149 5.031 1.00 0.00 O ATOM 265 CB ASP A 18 -6.608 -15.672 4.494 1.00 0.00 C ATOM 266 CG ASP A 18 -6.027 -15.663 3.093 1.00 0.00 C ATOM 267 OD1 ASP A 18 -5.941 -14.571 2.493 1.00 0.00 O ATOM 268 OD2 ASP A 18 -5.656 -16.748 2.597 1.00 0.00 O ATOM 0 H ASP A 18 -7.219 -13.341 5.033 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.479 -15.263 3.521 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -6.005 -15.033 5.139 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.551 -16.681 4.902 1.00 0.00 H new ATOM 273 N GLY A 19 -9.069 -15.656 6.688 1.00 0.00 N ATOM 274 CA GLY A 19 -9.850 -16.433 7.637 1.00 0.00 C ATOM 275 C GLY A 19 -11.194 -16.839 7.064 1.00 0.00 C ATOM 276 O GLY A 19 -11.715 -17.911 7.373 1.00 0.00 O ATOM 0 H GLY A 19 -8.691 -14.783 7.056 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.292 -17.325 7.922 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.004 -15.850 8.545 1.00 0.00 H new ATOM 280 N ASN A 20 -11.744 -15.977 6.217 1.00 0.00 N ATOM 281 CA ASN A 20 -13.028 -16.235 5.575 1.00 0.00 C ATOM 282 C ASN A 20 -12.991 -15.811 4.107 1.00 0.00 C ATOM 283 O ASN A 20 -14.032 -15.683 3.462 1.00 0.00 O ATOM 284 CB ASN A 20 -14.147 -15.491 6.306 1.00 0.00 C ATOM 285 CG ASN A 20 -14.308 -15.952 7.741 1.00 0.00 C ATOM 286 OD1 ASN A 20 -14.957 -16.962 8.013 1.00 0.00 O ATOM 287 ND2 ASN A 20 -13.716 -15.210 8.671 1.00 0.00 N ATOM 0 H ASN A 20 -11.318 -15.087 5.957 1.00 0.00 H new ATOM 0 HA ASN A 20 -13.225 -17.306 5.623 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -13.937 -14.421 6.293 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -15.086 -15.638 5.773 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -13.790 -15.470 9.654 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -13.188 -14.380 8.401 1.00 0.00 H new ATOM 294 N LYS A 21 -11.783 -15.593 3.585 1.00 0.00 N ATOM 295 CA LYS A 21 -11.599 -15.181 2.196 1.00 0.00 C ATOM 296 C LYS A 21 -12.555 -14.051 1.823 1.00 0.00 C ATOM 297 O LYS A 21 -13.675 -14.294 1.373 1.00 0.00 O ATOM 298 CB LYS A 21 -11.799 -16.368 1.251 1.00 0.00 C ATOM 299 CG LYS A 21 -11.180 -17.664 1.753 1.00 0.00 C ATOM 300 CD LYS A 21 -10.046 -18.129 0.853 1.00 0.00 C ATOM 301 CE LYS A 21 -8.873 -17.162 0.889 1.00 0.00 C ATOM 302 NZ LYS A 21 -7.698 -17.685 0.140 1.00 0.00 N ATOM 0 H LYS A 21 -10.914 -15.696 4.108 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.578 -14.814 2.093 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.867 -16.522 1.097 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.369 -16.123 0.280 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.805 -17.520 2.766 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.946 -18.438 1.803 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.713 -19.118 1.167 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.408 -18.225 -0.170 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.178 -16.206 0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.589 -16.974 1.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.920 -16.996 0.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.390 -18.585 0.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.961 -17.840 -0.854 1.00 0.00 H new ATOM 316 N ARG A 22 -12.103 -12.814 2.012 1.00 0.00 N ATOM 317 CA ARG A 22 -12.915 -11.643 1.696 1.00 0.00 C ATOM 318 C ARG A 22 -12.177 -10.359 2.058 1.00 0.00 C ATOM 319 O ARG A 22 -11.621 -10.238 3.149 1.00 0.00 O ATOM 320 CB ARG A 22 -14.250 -11.702 2.444 1.00 0.00 C ATOM 321 CG ARG A 22 -14.101 -11.949 3.937 1.00 0.00 C ATOM 322 CD ARG A 22 -14.946 -10.981 4.752 1.00 0.00 C ATOM 323 NE ARG A 22 -16.373 -11.271 4.637 1.00 0.00 N ATOM 324 CZ ARG A 22 -17.333 -10.401 4.942 1.00 0.00 C ATOM 325 NH1 ARG A 22 -17.023 -9.186 5.378 1.00 0.00 N ATOM 326 NH2 ARG A 22 -18.608 -10.746 4.810 1.00 0.00 N ATOM 0 H ARG A 22 -11.178 -12.597 2.383 1.00 0.00 H new ATOM 0 HA ARG A 22 -13.107 -11.645 0.623 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.784 -10.764 2.291 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.864 -12.493 2.013 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.395 -12.973 4.168 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.054 -11.846 4.221 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.649 -11.033 5.799 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.755 -9.962 4.417 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.650 -12.194 4.303 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.045 -8.915 5.481 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.763 -8.523 5.610 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -18.852 -11.678 4.475 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -19.344 -10.079 5.044 1.00 0.00 H new ATOM 340 N TRP A 23 -12.178 -9.398 1.138 1.00 0.00 N ATOM 341 CA TRP A 23 -11.508 -8.122 1.367 1.00 0.00 C ATOM 342 C TRP A 23 -12.089 -7.421 2.591 1.00 0.00 C ATOM 343 O TRP A 23 -13.283 -7.524 2.870 1.00 0.00 O ATOM 344 CB TRP A 23 -11.645 -7.215 0.144 1.00 0.00 C ATOM 345 CG TRP A 23 -10.614 -7.465 -0.916 1.00 0.00 C ATOM 346 CD1 TRP A 23 -10.851 -7.722 -2.233 1.00 0.00 C ATOM 347 CD2 TRP A 23 -9.190 -7.478 -0.757 1.00 0.00 C ATOM 348 NE1 TRP A 23 -9.668 -7.914 -2.900 1.00 0.00 N ATOM 349 CE2 TRP A 23 -8.634 -7.768 -2.019 1.00 0.00 C ATOM 350 CE3 TRP A 23 -8.330 -7.280 0.325 1.00 0.00 C ATOM 351 CZ2 TRP A 23 -7.260 -7.862 -2.223 1.00 0.00 C ATOM 352 CZ3 TRP A 23 -6.969 -7.372 0.119 1.00 0.00 C ATOM 353 CH2 TRP A 23 -6.445 -7.662 -1.144 1.00 0.00 C ATOM 0 H TRP A 23 -12.634 -9.479 0.229 1.00 0.00 H new ATOM 0 HA TRP A 23 -10.452 -8.325 1.543 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -12.636 -7.351 -0.288 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -11.577 -6.176 0.465 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -11.830 -7.768 -2.687 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -9.575 -8.131 -3.892 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -8.723 -7.059 1.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -6.853 -8.085 -3.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -6.296 -7.217 0.949 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -5.374 -7.729 -1.270 1.00 0.00 H new ATOM 364 N LEU A 24 -11.237 -6.703 3.310 1.00 0.00 N ATOM 365 CA LEU A 24 -11.662 -5.976 4.498 1.00 0.00 C ATOM 366 C LEU A 24 -10.949 -4.628 4.578 1.00 0.00 C ATOM 367 O LEU A 24 -9.735 -4.572 4.773 1.00 0.00 O ATOM 368 CB LEU A 24 -11.379 -6.802 5.756 1.00 0.00 C ATOM 369 CG LEU A 24 -12.621 -7.326 6.479 1.00 0.00 C ATOM 370 CD1 LEU A 24 -12.228 -8.297 7.581 1.00 0.00 C ATOM 371 CD2 LEU A 24 -13.432 -6.170 7.047 1.00 0.00 C ATOM 0 H LEU A 24 -10.245 -6.608 3.091 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.735 -5.799 4.432 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.752 -7.650 5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.803 -6.191 6.451 1.00 0.00 H new ATOM 0 HG LEU A 24 -13.240 -7.860 5.758 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.125 -8.659 8.084 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.689 -9.140 7.148 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.588 -7.789 8.302 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -14.312 -6.560 7.558 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.820 -5.609 7.754 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.745 -5.512 6.236 1.00 0.00 H new ATOM 383 N PRO A 25 -11.695 -3.518 4.418 1.00 0.00 N ATOM 384 CA PRO A 25 -11.129 -2.168 4.464 1.00 0.00 C ATOM 385 C PRO A 25 -10.078 -2.000 5.558 1.00 0.00 C ATOM 386 O PRO A 25 -10.409 -1.803 6.727 1.00 0.00 O ATOM 387 CB PRO A 25 -12.351 -1.302 4.750 1.00 0.00 C ATOM 388 CG PRO A 25 -13.477 -2.022 4.088 1.00 0.00 C ATOM 389 CD PRO A 25 -13.151 -3.492 4.176 1.00 0.00 C ATOM 0 HA PRO A 25 -10.603 -1.911 3.544 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.522 -1.196 5.821 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.229 -0.297 4.346 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.423 -1.803 4.584 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -13.581 -1.709 3.049 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.699 -3.975 4.985 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.413 -4.015 3.256 1.00 0.00 H new ATOM 397 N ALA A 26 -8.809 -2.082 5.166 1.00 0.00 N ATOM 398 CA ALA A 26 -7.701 -1.940 6.106 1.00 0.00 C ATOM 399 C ALA A 26 -7.898 -0.732 7.018 1.00 0.00 C ATOM 400 O ALA A 26 -7.510 -0.752 8.186 1.00 0.00 O ATOM 401 CB ALA A 26 -6.384 -1.824 5.354 1.00 0.00 C ATOM 0 H ALA A 26 -8.522 -2.247 4.201 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.675 -2.832 6.732 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.566 -1.719 6.067 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.228 -2.720 4.753 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.413 -0.950 4.703 1.00 0.00 H new ATOM 407 N GLY A 27 -8.505 0.317 6.474 1.00 0.00 N ATOM 408 CA GLY A 27 -8.749 1.522 7.245 1.00 0.00 C ATOM 409 C GLY A 27 -9.585 1.263 8.485 1.00 0.00 C ATOM 410 O GLY A 27 -9.109 0.658 9.445 1.00 0.00 O ATOM 0 H GLY A 27 -8.834 0.354 5.509 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.795 1.960 7.539 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.255 2.255 6.617 1.00 0.00 H new ATOM 414 N THR A 28 -10.833 1.723 8.466 1.00 0.00 N ATOM 415 CA THR A 28 -11.730 1.535 9.602 1.00 0.00 C ATOM 416 C THR A 28 -13.173 1.354 9.145 1.00 0.00 C ATOM 417 O THR A 28 -13.867 0.444 9.598 1.00 0.00 O ATOM 418 CB THR A 28 -11.632 2.723 10.560 1.00 0.00 C ATOM 419 OG1 THR A 28 -12.470 2.529 11.685 1.00 0.00 O ATOM 420 CG2 THR A 28 -12.018 4.040 9.924 1.00 0.00 C ATOM 0 H THR A 28 -11.245 2.226 7.680 1.00 0.00 H new ATOM 0 HA THR A 28 -11.421 0.628 10.122 1.00 0.00 H new ATOM 0 HB THR A 28 -10.583 2.773 10.851 1.00 0.00 H new ATOM 0 HG1 THR A 28 -12.393 3.298 12.287 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.926 4.840 10.659 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.358 4.244 9.081 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.049 3.986 9.573 1.00 0.00 H new ATOM 428 N GLY A 29 -13.617 2.226 8.251 1.00 0.00 N ATOM 429 CA GLY A 29 -14.978 2.146 7.752 1.00 0.00 C ATOM 430 C GLY A 29 -15.123 2.710 6.351 1.00 0.00 C ATOM 431 O GLY A 29 -15.021 1.972 5.371 1.00 0.00 O ATOM 0 H GLY A 29 -13.061 2.987 7.862 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -15.301 1.105 7.755 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.640 2.687 8.427 1.00 0.00 H new ATOM 435 N PRO A 30 -15.364 4.027 6.222 1.00 0.00 N ATOM 436 CA PRO A 30 -15.523 4.680 4.919 1.00 0.00 C ATOM 437 C PRO A 30 -14.448 4.260 3.922 1.00 0.00 C ATOM 438 O PRO A 30 -13.445 3.652 4.295 1.00 0.00 O ATOM 439 CB PRO A 30 -15.392 6.164 5.258 1.00 0.00 C ATOM 440 CG PRO A 30 -15.884 6.272 6.659 1.00 0.00 C ATOM 441 CD PRO A 30 -15.501 4.983 7.339 1.00 0.00 C ATOM 0 HA PRO A 30 -16.466 4.417 4.440 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -14.359 6.501 5.173 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -15.984 6.779 4.581 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -15.435 7.127 7.164 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.964 6.419 6.682 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.569 5.085 7.896 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -16.263 4.663 8.049 1.00 0.00 H new ATOM 449 N GLN A 31 -14.663 4.587 2.651 1.00 0.00 N ATOM 450 CA GLN A 31 -13.709 4.239 1.605 1.00 0.00 C ATOM 451 C GLN A 31 -13.592 5.356 0.572 1.00 0.00 C ATOM 452 O GLN A 31 -13.833 5.145 -0.618 1.00 0.00 O ATOM 453 CB GLN A 31 -14.121 2.932 0.923 1.00 0.00 C ATOM 454 CG GLN A 31 -13.490 1.700 1.548 1.00 0.00 C ATOM 455 CD GLN A 31 -14.046 0.408 0.981 1.00 0.00 C ATOM 456 OE1 GLN A 31 -15.172 0.016 1.288 1.00 0.00 O ATOM 457 NE2 GLN A 31 -13.257 -0.261 0.149 1.00 0.00 N ATOM 0 H GLN A 31 -15.487 5.091 2.322 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.733 4.104 2.072 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.206 2.836 0.964 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.845 2.978 -0.130 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.412 1.728 1.389 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -13.654 1.720 2.625 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.331 0.101 -0.078 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.577 -1.137 -0.264 1.00 0.00 H new ATOM 466 N ALA A 32 -13.213 6.543 1.032 1.00 0.00 N ATOM 467 CA ALA A 32 -13.053 7.690 0.147 1.00 0.00 C ATOM 468 C ALA A 32 -11.625 7.763 -0.382 1.00 0.00 C ATOM 469 O ALA A 32 -10.965 8.798 -0.285 1.00 0.00 O ATOM 470 CB ALA A 32 -13.416 8.976 0.876 1.00 0.00 C ATOM 0 H ALA A 32 -13.011 6.736 2.013 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.728 7.569 -0.700 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.292 9.824 0.202 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.453 8.926 1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -12.764 9.101 1.740 1.00 0.00 H new ATOM 476 N PHE A 33 -11.149 6.650 -0.933 1.00 0.00 N ATOM 477 CA PHE A 33 -9.793 6.576 -1.467 1.00 0.00 C ATOM 478 C PHE A 33 -8.775 6.962 -0.404 1.00 0.00 C ATOM 479 O PHE A 33 -9.136 7.313 0.720 1.00 0.00 O ATOM 480 CB PHE A 33 -9.636 7.487 -2.686 1.00 0.00 C ATOM 481 CG PHE A 33 -10.218 6.914 -3.944 1.00 0.00 C ATOM 482 CD1 PHE A 33 -9.458 6.090 -4.756 1.00 0.00 C ATOM 483 CD2 PHE A 33 -11.522 7.199 -4.316 1.00 0.00 C ATOM 484 CE1 PHE A 33 -9.986 5.560 -5.915 1.00 0.00 C ATOM 485 CE2 PHE A 33 -12.057 6.670 -5.476 1.00 0.00 C ATOM 486 CZ PHE A 33 -11.287 5.849 -6.277 1.00 0.00 C ATOM 0 H PHE A 33 -11.683 5.786 -1.021 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.613 5.546 -1.774 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.114 8.444 -2.478 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.577 7.688 -2.845 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.440 5.859 -4.479 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -12.127 7.841 -3.693 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -9.382 4.919 -6.540 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -13.075 6.898 -5.755 1.00 0.00 H new ATOM 0 HZ PHE A 33 -11.701 5.434 -7.184 1.00 0.00 H new ATOM 496 N SER A 34 -7.503 6.896 -0.767 1.00 0.00 N ATOM 497 CA SER A 34 -6.429 7.238 0.152 1.00 0.00 C ATOM 498 C SER A 34 -5.115 7.422 -0.598 1.00 0.00 C ATOM 499 O SER A 34 -4.832 6.708 -1.560 1.00 0.00 O ATOM 500 CB SER A 34 -6.271 6.148 1.217 1.00 0.00 C ATOM 501 OG SER A 34 -7.414 5.313 1.271 1.00 0.00 O ATOM 0 H SER A 34 -7.189 6.608 -1.694 1.00 0.00 H new ATOM 0 HA SER A 34 -6.687 8.178 0.640 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.389 5.547 0.997 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.108 6.609 2.191 1.00 0.00 H new ATOM 0 HG SER A 34 -7.154 4.389 1.075 1.00 0.00 H new ATOM 507 N ARG A 35 -4.313 8.376 -0.145 1.00 0.00 N ATOM 508 CA ARG A 35 -3.023 8.646 -0.767 1.00 0.00 C ATOM 509 C ARG A 35 -1.928 7.874 -0.046 1.00 0.00 C ATOM 510 O ARG A 35 -1.422 8.315 0.985 1.00 0.00 O ATOM 511 CB ARG A 35 -2.718 10.145 -0.736 1.00 0.00 C ATOM 512 CG ARG A 35 -1.546 10.544 -1.620 1.00 0.00 C ATOM 513 CD ARG A 35 -0.382 11.076 -0.799 1.00 0.00 C ATOM 514 NE ARG A 35 -0.441 12.527 -0.641 1.00 0.00 N ATOM 515 CZ ARG A 35 -0.071 13.390 -1.584 1.00 0.00 C ATOM 516 NH1 ARG A 35 0.388 12.953 -2.750 1.00 0.00 N ATOM 517 NH2 ARG A 35 -0.161 14.694 -1.361 1.00 0.00 N ATOM 0 H ARG A 35 -4.532 8.976 0.650 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.061 8.322 -1.807 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.605 10.695 -1.052 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.507 10.444 0.291 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.218 9.682 -2.202 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.868 11.305 -2.331 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.386 10.604 0.184 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.557 10.802 -1.281 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.786 12.900 0.243 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.459 11.951 -2.927 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.670 13.619 -3.469 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.514 15.035 -0.467 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.123 15.356 -2.084 1.00 0.00 H new ATOM 531 N VAL A 36 -1.579 6.709 -0.582 1.00 0.00 N ATOM 532 CA VAL A 36 -0.560 5.870 0.031 1.00 0.00 C ATOM 533 C VAL A 36 0.820 6.120 -0.554 1.00 0.00 C ATOM 534 O VAL A 36 1.081 5.838 -1.724 1.00 0.00 O ATOM 535 CB VAL A 36 -0.899 4.375 -0.104 1.00 0.00 C ATOM 536 CG1 VAL A 36 0.072 3.534 0.712 1.00 0.00 C ATOM 537 CG2 VAL A 36 -2.333 4.112 0.327 1.00 0.00 C ATOM 0 H VAL A 36 -1.986 6.327 -1.436 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.545 6.142 1.086 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.801 4.091 -1.152 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.182 2.479 0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.088 3.701 0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.006 3.819 1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.555 3.050 0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.461 4.411 1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.013 4.687 -0.302 1.00 0.00 H new ATOM 547 N GLN A 37 1.704 6.635 0.288 1.00 0.00 N ATOM 548 CA GLN A 37 3.076 6.914 -0.102 1.00 0.00 C ATOM 549 C GLN A 37 4.006 5.903 0.554 1.00 0.00 C ATOM 550 O GLN A 37 3.660 5.308 1.575 1.00 0.00 O ATOM 551 CB GLN A 37 3.456 8.335 0.306 1.00 0.00 C ATOM 552 CG GLN A 37 2.799 9.403 -0.551 1.00 0.00 C ATOM 553 CD GLN A 37 3.410 10.778 -0.355 1.00 0.00 C ATOM 554 OE1 GLN A 37 3.044 11.507 0.567 1.00 0.00 O ATOM 555 NE2 GLN A 37 4.346 11.138 -1.227 1.00 0.00 N ATOM 0 H GLN A 37 1.490 6.870 1.257 1.00 0.00 H new ATOM 0 HA GLN A 37 3.170 6.830 -1.185 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.177 8.493 1.348 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.539 8.446 0.245 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.882 9.121 -1.601 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.736 9.447 -0.316 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.618 10.501 -1.976 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.793 12.052 -1.148 1.00 0.00 H new ATOM 564 N ILE A 38 5.180 5.699 -0.028 1.00 0.00 N ATOM 565 CA ILE A 38 6.130 4.746 0.525 1.00 0.00 C ATOM 566 C ILE A 38 7.243 5.466 1.268 1.00 0.00 C ATOM 567 O ILE A 38 7.618 6.580 0.910 1.00 0.00 O ATOM 568 CB ILE A 38 6.730 3.848 -0.576 1.00 0.00 C ATOM 569 CG1 ILE A 38 5.611 3.126 -1.328 1.00 0.00 C ATOM 570 CG2 ILE A 38 7.707 2.843 0.024 1.00 0.00 C ATOM 571 CD1 ILE A 38 6.112 2.189 -2.402 1.00 0.00 C ATOM 0 H ILE A 38 5.494 6.175 -0.874 1.00 0.00 H new ATOM 0 HA ILE A 38 5.587 4.112 1.226 1.00 0.00 H new ATOM 0 HB ILE A 38 7.278 4.475 -1.279 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.011 2.561 -0.615 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.953 3.867 -1.782 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.119 2.219 -0.769 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.516 3.376 0.524 1.00 0.00 H new ATOM 0 HG23 ILE A 38 7.185 2.215 0.746 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.264 1.712 -2.893 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.687 2.752 -3.137 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.747 1.426 -1.952 1.00 0.00 H new ATOM 583 N TYR A 39 7.763 4.829 2.309 1.00 0.00 N ATOM 584 CA TYR A 39 8.828 5.422 3.104 1.00 0.00 C ATOM 585 C TYR A 39 10.149 4.696 2.886 1.00 0.00 C ATOM 586 O TYR A 39 10.277 3.510 3.185 1.00 0.00 O ATOM 587 CB TYR A 39 8.449 5.404 4.582 1.00 0.00 C ATOM 588 CG TYR A 39 7.626 6.600 4.990 1.00 0.00 C ATOM 589 CD1 TYR A 39 6.448 6.910 4.322 1.00 0.00 C ATOM 590 CD2 TYR A 39 8.031 7.427 6.028 1.00 0.00 C ATOM 591 CE1 TYR A 39 5.696 8.012 4.677 1.00 0.00 C ATOM 592 CE2 TYR A 39 7.285 8.529 6.392 1.00 0.00 C ATOM 593 CZ TYR A 39 6.118 8.819 5.715 1.00 0.00 C ATOM 594 OH TYR A 39 5.372 9.918 6.073 1.00 0.00 O ATOM 0 H TYR A 39 7.465 3.905 2.621 1.00 0.00 H new ATOM 0 HA TYR A 39 8.958 6.455 2.782 1.00 0.00 H new ATOM 0 HB2 TYR A 39 7.890 4.494 4.798 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.357 5.371 5.185 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.115 6.278 3.512 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.945 7.205 6.559 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.784 8.241 4.146 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.613 9.162 7.203 1.00 0.00 H new ATOM 0 HH TYR A 39 5.806 10.378 6.821 1.00 0.00 H new ATOM 604 N HIS A 40 11.129 5.425 2.362 1.00 0.00 N ATOM 605 CA HIS A 40 12.444 4.860 2.100 1.00 0.00 C ATOM 606 C HIS A 40 13.397 5.140 3.258 1.00 0.00 C ATOM 607 O HIS A 40 14.104 6.147 3.261 1.00 0.00 O ATOM 608 CB HIS A 40 13.016 5.430 0.798 1.00 0.00 C ATOM 609 CG HIS A 40 14.354 4.868 0.425 1.00 0.00 C ATOM 610 ND1 HIS A 40 14.645 4.401 -0.840 1.00 0.00 N ATOM 611 CD2 HIS A 40 15.484 4.697 1.155 1.00 0.00 C ATOM 612 CE1 HIS A 40 15.893 3.968 -0.872 1.00 0.00 C ATOM 613 NE2 HIS A 40 16.423 4.136 0.324 1.00 0.00 N ATOM 0 H HIS A 40 11.035 6.409 2.111 1.00 0.00 H new ATOM 0 HA HIS A 40 12.336 3.780 1.998 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.313 5.236 -0.012 1.00 0.00 H new ATOM 0 HB3 HIS A 40 13.101 6.512 0.893 1.00 0.00 H new ATOM 0 HD2 HIS A 40 15.620 4.954 2.195 1.00 0.00 H new ATOM 0 HE1 HIS A 40 16.394 3.548 -1.732 1.00 0.00 H new ATOM 0 HE2 HIS A 40 17.376 3.889 0.589 1.00 0.00 H new ATOM 622 N ASN A 41 13.407 4.241 4.238 1.00 0.00 N ATOM 623 CA ASN A 41 14.277 4.379 5.402 1.00 0.00 C ATOM 624 C ASN A 41 15.559 3.575 5.210 1.00 0.00 C ATOM 625 O ASN A 41 15.560 2.354 5.371 1.00 0.00 O ATOM 626 CB ASN A 41 13.561 3.897 6.665 1.00 0.00 C ATOM 627 CG ASN A 41 12.227 4.585 6.876 1.00 0.00 C ATOM 628 OD1 ASN A 41 11.747 5.316 6.010 1.00 0.00 O ATOM 629 ND2 ASN A 41 11.619 4.350 8.034 1.00 0.00 N ATOM 0 H ASN A 41 12.820 3.407 4.249 1.00 0.00 H new ATOM 0 HA ASN A 41 14.529 5.434 5.512 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.404 2.820 6.601 1.00 0.00 H new ATOM 0 HB3 ASN A 41 14.199 4.076 7.531 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.717 4.783 8.234 1.00 0.00 H new ATOM 0 HD22 ASN A 41 12.054 3.737 8.723 1.00 0.00 H new ATOM 636 N PRO A 42 16.675 4.239 4.861 1.00 0.00 N ATOM 637 CA PRO A 42 17.951 3.564 4.650 1.00 0.00 C ATOM 638 C PRO A 42 18.708 3.320 5.951 1.00 0.00 C ATOM 639 O PRO A 42 19.575 2.449 6.019 1.00 0.00 O ATOM 640 CB PRO A 42 18.707 4.548 3.774 1.00 0.00 C ATOM 641 CG PRO A 42 18.225 5.884 4.226 1.00 0.00 C ATOM 642 CD PRO A 42 16.786 5.695 4.638 1.00 0.00 C ATOM 0 HA PRO A 42 17.827 2.574 4.211 1.00 0.00 H new ATOM 0 HB2 PRO A 42 19.785 4.449 3.902 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.495 4.385 2.717 1.00 0.00 H new ATOM 0 HG2 PRO A 42 18.823 6.252 5.059 1.00 0.00 H new ATOM 0 HG3 PRO A 42 18.307 6.619 3.425 1.00 0.00 H new ATOM 0 HD2 PRO A 42 16.551 6.258 5.541 1.00 0.00 H new ATOM 0 HD3 PRO A 42 16.099 6.035 3.863 1.00 0.00 H new ATOM 650 N THR A 43 18.373 4.087 6.986 1.00 0.00 N ATOM 651 CA THR A 43 19.022 3.941 8.286 1.00 0.00 C ATOM 652 C THR A 43 19.061 2.475 8.705 1.00 0.00 C ATOM 653 O THR A 43 19.970 2.041 9.414 1.00 0.00 O ATOM 654 CB THR A 43 18.289 4.767 9.343 1.00 0.00 C ATOM 655 OG1 THR A 43 18.209 6.127 8.953 1.00 0.00 O ATOM 656 CG2 THR A 43 18.949 4.719 10.705 1.00 0.00 C ATOM 0 H THR A 43 17.658 4.814 6.950 1.00 0.00 H new ATOM 0 HA THR A 43 20.045 4.306 8.199 1.00 0.00 H new ATOM 0 HB THR A 43 17.298 4.320 9.421 1.00 0.00 H new ATOM 0 HG1 THR A 43 17.735 6.638 9.642 1.00 0.00 H new ATOM 0 HG21 THR A 43 18.378 5.326 11.408 1.00 0.00 H new ATOM 0 HG22 THR A 43 18.980 3.688 11.058 1.00 0.00 H new ATOM 0 HG23 THR A 43 19.965 5.108 10.631 1.00 0.00 H new ATOM 664 N ALA A 44 18.068 1.717 8.251 1.00 0.00 N ATOM 665 CA ALA A 44 17.980 0.297 8.564 1.00 0.00 C ATOM 666 C ALA A 44 17.732 -0.534 7.306 1.00 0.00 C ATOM 667 O ALA A 44 17.495 -1.739 7.387 1.00 0.00 O ATOM 668 CB ALA A 44 16.878 0.053 9.584 1.00 0.00 C ATOM 0 H ALA A 44 17.311 2.065 7.663 1.00 0.00 H new ATOM 0 HA ALA A 44 18.934 -0.015 8.989 1.00 0.00 H new ATOM 0 HB1 ALA A 44 16.821 -1.012 9.811 1.00 0.00 H new ATOM 0 HB2 ALA A 44 17.098 0.607 10.497 1.00 0.00 H new ATOM 0 HB3 ALA A 44 15.924 0.389 9.177 1.00 0.00 H new ATOM 674 N ASN A 45 17.778 0.116 6.144 1.00 0.00 N ATOM 675 CA ASN A 45 17.547 -0.566 4.877 1.00 0.00 C ATOM 676 C ASN A 45 16.162 -1.198 4.870 1.00 0.00 C ATOM 677 O ASN A 45 16.000 -2.375 4.549 1.00 0.00 O ATOM 678 CB ASN A 45 18.624 -1.629 4.635 1.00 0.00 C ATOM 679 CG ASN A 45 19.297 -1.474 3.284 1.00 0.00 C ATOM 680 OD1 ASN A 45 20.522 -1.507 3.182 1.00 0.00 O ATOM 681 ND2 ASN A 45 18.496 -1.303 2.237 1.00 0.00 N ATOM 0 H ASN A 45 17.973 1.113 6.056 1.00 0.00 H new ATOM 0 HA ASN A 45 17.602 0.165 4.070 1.00 0.00 H new ATOM 0 HB2 ASN A 45 19.376 -1.566 5.422 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.174 -2.620 4.702 1.00 0.00 H new ATOM 0 HD21 ASN A 45 18.893 -1.193 1.304 1.00 0.00 H new ATOM 0 HD22 ASN A 45 17.485 -1.282 2.367 1.00 0.00 H new ATOM 688 N SER A 46 15.168 -0.402 5.241 1.00 0.00 N ATOM 689 CA SER A 46 13.789 -0.879 5.293 1.00 0.00 C ATOM 690 C SER A 46 12.842 0.077 4.576 1.00 0.00 C ATOM 691 O SER A 46 13.206 1.209 4.260 1.00 0.00 O ATOM 692 CB SER A 46 13.346 -1.055 6.746 1.00 0.00 C ATOM 693 OG SER A 46 14.267 -1.857 7.466 1.00 0.00 O ATOM 0 H SER A 46 15.288 0.575 5.510 1.00 0.00 H new ATOM 0 HA SER A 46 13.750 -1.842 4.783 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.258 -0.079 7.223 1.00 0.00 H new ATOM 0 HB3 SER A 46 12.358 -1.515 6.775 1.00 0.00 H new ATOM 0 HG SER A 46 13.962 -1.953 8.392 1.00 0.00 H new ATOM 699 N PHE A 47 11.623 -0.391 4.324 1.00 0.00 N ATOM 700 CA PHE A 47 10.617 0.415 3.645 1.00 0.00 C ATOM 701 C PHE A 47 9.288 0.371 4.396 1.00 0.00 C ATOM 702 O PHE A 47 9.109 -0.437 5.306 1.00 0.00 O ATOM 703 CB PHE A 47 10.441 -0.074 2.207 1.00 0.00 C ATOM 704 CG PHE A 47 11.569 0.340 1.309 1.00 0.00 C ATOM 705 CD1 PHE A 47 11.692 1.656 0.897 1.00 0.00 C ATOM 706 CD2 PHE A 47 12.508 -0.582 0.884 1.00 0.00 C ATOM 707 CE1 PHE A 47 12.732 2.045 0.076 1.00 0.00 C ATOM 708 CE2 PHE A 47 13.551 -0.200 0.063 1.00 0.00 C ATOM 709 CZ PHE A 47 13.664 1.115 -0.343 1.00 0.00 C ATOM 0 H PHE A 47 11.309 -1.327 4.581 1.00 0.00 H new ATOM 0 HA PHE A 47 10.956 1.451 3.625 1.00 0.00 H new ATOM 0 HB2 PHE A 47 10.362 -1.161 2.205 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.504 0.315 1.808 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.966 2.387 1.221 1.00 0.00 H new ATOM 0 HD2 PHE A 47 12.425 -1.612 1.198 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.817 3.075 -0.238 1.00 0.00 H new ATOM 0 HE2 PHE A 47 14.278 -0.930 -0.261 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.478 1.416 -0.986 1.00 0.00 H new ATOM 719 N ARG A 48 8.365 1.254 4.024 1.00 0.00 N ATOM 720 CA ARG A 48 7.065 1.315 4.686 1.00 0.00 C ATOM 721 C ARG A 48 5.996 1.920 3.782 1.00 0.00 C ATOM 722 O ARG A 48 6.278 2.794 2.962 1.00 0.00 O ATOM 723 CB ARG A 48 7.177 2.141 5.970 1.00 0.00 C ATOM 724 CG ARG A 48 6.304 1.632 7.103 1.00 0.00 C ATOM 725 CD ARG A 48 5.739 2.775 7.931 1.00 0.00 C ATOM 726 NE ARG A 48 5.726 2.462 9.358 1.00 0.00 N ATOM 727 CZ ARG A 48 5.030 3.150 10.261 1.00 0.00 C ATOM 728 NH1 ARG A 48 4.292 4.188 9.889 1.00 0.00 N ATOM 729 NH2 ARG A 48 5.073 2.798 11.538 1.00 0.00 N ATOM 0 H ARG A 48 8.491 1.933 3.273 1.00 0.00 H new ATOM 0 HA ARG A 48 6.765 0.294 4.923 1.00 0.00 H new ATOM 0 HB2 ARG A 48 8.216 2.146 6.298 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.907 3.174 5.751 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.486 1.039 6.694 1.00 0.00 H new ATOM 0 HG3 ARG A 48 6.888 0.971 7.744 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.333 3.673 7.762 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.725 2.996 7.599 1.00 0.00 H new ATOM 0 HE ARG A 48 6.282 1.671 9.681 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.256 4.462 8.907 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.761 4.712 10.585 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.639 2.001 11.828 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.540 3.324 12.230 1.00 0.00 H new ATOM 743 N VAL A 49 4.761 1.461 3.962 1.00 0.00 N ATOM 744 CA VAL A 49 3.632 1.962 3.193 1.00 0.00 C ATOM 745 C VAL A 49 2.724 2.787 4.094 1.00 0.00 C ATOM 746 O VAL A 49 2.262 2.307 5.129 1.00 0.00 O ATOM 747 CB VAL A 49 2.819 0.815 2.561 1.00 0.00 C ATOM 748 CG1 VAL A 49 3.533 0.267 1.334 1.00 0.00 C ATOM 749 CG2 VAL A 49 2.568 -0.289 3.577 1.00 0.00 C ATOM 0 H VAL A 49 4.518 0.738 4.639 1.00 0.00 H new ATOM 0 HA VAL A 49 4.027 2.581 2.388 1.00 0.00 H new ATOM 0 HB VAL A 49 1.854 1.212 2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.944 -0.542 0.901 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.654 1.062 0.598 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.513 -0.112 1.623 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.993 -1.089 3.111 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.521 -0.685 3.927 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.010 0.114 4.422 1.00 0.00 H new ATOM 759 N VAL A 50 2.487 4.035 3.714 1.00 0.00 N ATOM 760 CA VAL A 50 1.651 4.923 4.512 1.00 0.00 C ATOM 761 C VAL A 50 0.615 5.627 3.649 1.00 0.00 C ATOM 762 O VAL A 50 0.959 6.365 2.727 1.00 0.00 O ATOM 763 CB VAL A 50 2.495 5.986 5.250 1.00 0.00 C ATOM 764 CG1 VAL A 50 1.875 6.316 6.598 1.00 0.00 C ATOM 765 CG2 VAL A 50 3.933 5.517 5.424 1.00 0.00 C ATOM 0 H VAL A 50 2.860 4.455 2.862 1.00 0.00 H new ATOM 0 HA VAL A 50 1.145 4.298 5.247 1.00 0.00 H new ATOM 0 HB VAL A 50 2.506 6.891 4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.483 7.066 7.104 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.867 6.705 6.450 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.830 5.414 7.208 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.505 6.284 5.946 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.947 4.595 6.005 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.378 5.336 4.445 1.00 0.00 H new ATOM 775 N GLY A 51 -0.656 5.398 3.955 1.00 0.00 N ATOM 776 CA GLY A 51 -1.719 6.020 3.196 1.00 0.00 C ATOM 777 C GLY A 51 -2.825 6.556 4.075 1.00 0.00 C ATOM 778 O GLY A 51 -3.154 5.966 5.104 1.00 0.00 O ATOM 0 H GLY A 51 -0.967 4.793 4.715 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.306 6.834 2.601 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.135 5.294 2.498 1.00 0.00 H new ATOM 782 N ARG A 52 -3.403 7.680 3.667 1.00 0.00 N ATOM 783 CA ARG A 52 -4.482 8.300 4.422 1.00 0.00 C ATOM 784 C ARG A 52 -5.651 8.646 3.508 1.00 0.00 C ATOM 785 O ARG A 52 -5.461 8.926 2.325 1.00 0.00 O ATOM 786 CB ARG A 52 -3.981 9.558 5.134 1.00 0.00 C ATOM 787 CG ARG A 52 -3.444 10.620 4.185 1.00 0.00 C ATOM 788 CD ARG A 52 -4.136 11.958 4.393 1.00 0.00 C ATOM 789 NE ARG A 52 -3.585 12.998 3.527 1.00 0.00 N ATOM 790 CZ ARG A 52 -3.884 13.123 2.236 1.00 0.00 C ATOM 791 NH1 ARG A 52 -4.726 12.276 1.657 1.00 0.00 N ATOM 792 NH2 ARG A 52 -3.338 14.098 1.521 1.00 0.00 N ATOM 0 H ARG A 52 -3.141 8.180 2.817 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.827 7.586 5.170 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.796 9.984 5.719 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.196 9.280 5.837 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.371 10.737 4.338 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.585 10.293 3.155 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.203 11.849 4.196 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.033 12.261 5.435 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.933 13.667 3.936 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.148 11.524 2.202 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.951 12.377 0.667 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.690 14.751 1.961 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.567 14.194 0.532 1.00 0.00 H new ATOM 806 N LYS A 53 -6.860 8.620 4.060 1.00 0.00 N ATOM 807 CA LYS A 53 -8.054 8.928 3.282 1.00 0.00 C ATOM 808 C LYS A 53 -8.012 10.360 2.760 1.00 0.00 C ATOM 809 O LYS A 53 -7.321 11.214 3.315 1.00 0.00 O ATOM 810 CB LYS A 53 -9.311 8.713 4.128 1.00 0.00 C ATOM 811 CG LYS A 53 -10.308 7.753 3.500 1.00 0.00 C ATOM 812 CD LYS A 53 -9.719 6.360 3.345 1.00 0.00 C ATOM 813 CE LYS A 53 -10.654 5.441 2.575 1.00 0.00 C ATOM 814 NZ LYS A 53 -9.959 4.212 2.100 1.00 0.00 N ATOM 0 H LYS A 53 -7.038 8.390 5.038 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.083 8.253 2.427 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.020 8.333 5.107 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.798 9.674 4.292 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.205 7.703 4.117 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.613 8.131 2.524 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.762 6.424 2.827 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.520 5.936 4.329 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.493 5.160 3.212 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.068 5.977 1.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.590 3.679 1.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.096 4.479 1.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.705 3.619 2.916 1.00 0.00 H new ATOM 828 N MET A 54 -8.757 10.615 1.690 1.00 0.00 N ATOM 829 CA MET A 54 -8.805 11.943 1.091 1.00 0.00 C ATOM 830 C MET A 54 -10.042 12.703 1.552 1.00 0.00 C ATOM 831 O MET A 54 -10.741 13.324 0.751 1.00 0.00 O ATOM 832 CB MET A 54 -8.789 11.839 -0.436 1.00 0.00 C ATOM 833 CG MET A 54 -7.744 10.873 -0.968 1.00 0.00 C ATOM 834 SD MET A 54 -6.353 11.713 -1.752 1.00 0.00 S ATOM 835 CE MET A 54 -5.760 10.431 -2.853 1.00 0.00 C ATOM 0 H MET A 54 -9.336 9.919 1.220 1.00 0.00 H new ATOM 0 HA MET A 54 -7.923 12.494 1.417 1.00 0.00 H new ATOM 0 HB2 MET A 54 -9.773 11.523 -0.781 1.00 0.00 H new ATOM 0 HB3 MET A 54 -8.606 12.827 -0.857 1.00 0.00 H new ATOM 0 HG2 MET A 54 -7.375 10.256 -0.149 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.210 10.201 -1.689 1.00 0.00 H new ATOM 0 HE1 MET A 54 -5.524 10.866 -3.824 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.864 9.975 -2.432 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.531 9.670 -2.974 1.00 0.00 H new ATOM 845 N GLN A 55 -10.306 12.650 2.853 1.00 0.00 N ATOM 846 CA GLN A 55 -11.458 13.334 3.430 1.00 0.00 C ATOM 847 C GLN A 55 -11.017 14.331 4.499 1.00 0.00 C ATOM 848 O GLN A 55 -9.905 14.243 5.020 1.00 0.00 O ATOM 849 CB GLN A 55 -12.435 12.317 4.028 1.00 0.00 C ATOM 850 CG GLN A 55 -11.889 11.589 5.246 1.00 0.00 C ATOM 851 CD GLN A 55 -12.933 10.730 5.931 1.00 0.00 C ATOM 852 OE1 GLN A 55 -13.848 11.242 6.576 1.00 0.00 O ATOM 853 NE2 GLN A 55 -12.800 9.416 5.794 1.00 0.00 N ATOM 0 H GLN A 55 -9.737 12.140 3.529 1.00 0.00 H new ATOM 0 HA GLN A 55 -11.962 13.883 2.635 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -13.356 12.830 4.305 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.696 11.584 3.264 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.050 10.962 4.944 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.502 12.319 5.957 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.026 9.036 5.250 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.472 8.787 6.233 1.00 0.00 H new ATOM 862 N PRO A 56 -11.885 15.300 4.839 1.00 0.00 N ATOM 863 CA PRO A 56 -11.577 16.319 5.850 1.00 0.00 C ATOM 864 C PRO A 56 -11.051 15.712 7.147 1.00 0.00 C ATOM 865 O PRO A 56 -10.289 16.347 7.876 1.00 0.00 O ATOM 866 CB PRO A 56 -12.924 17.003 6.084 1.00 0.00 C ATOM 867 CG PRO A 56 -13.668 16.815 4.808 1.00 0.00 C ATOM 868 CD PRO A 56 -13.233 15.481 4.266 1.00 0.00 C ATOM 0 HA PRO A 56 -10.791 16.998 5.519 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -13.456 16.554 6.923 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.797 18.060 6.316 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -14.745 16.835 4.978 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.442 17.615 4.103 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -13.910 14.683 4.572 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.210 15.479 3.176 1.00 0.00 H new ATOM 876 N ASP A 57 -11.462 14.480 7.429 1.00 0.00 N ATOM 877 CA ASP A 57 -11.030 13.789 8.639 1.00 0.00 C ATOM 878 C ASP A 57 -9.530 13.516 8.603 1.00 0.00 C ATOM 879 O ASP A 57 -8.826 13.729 9.590 1.00 0.00 O ATOM 880 CB ASP A 57 -11.799 12.476 8.805 1.00 0.00 C ATOM 881 CG ASP A 57 -12.941 12.595 9.795 1.00 0.00 C ATOM 882 OD1 ASP A 57 -13.483 13.711 9.945 1.00 0.00 O ATOM 883 OD2 ASP A 57 -13.292 11.574 10.423 1.00 0.00 O ATOM 0 H ASP A 57 -12.093 13.940 6.837 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.242 14.434 9.492 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.192 12.164 7.837 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.114 11.696 9.137 1.00 0.00 H new ATOM 888 N GLN A 58 -9.048 13.046 7.457 1.00 0.00 N ATOM 889 CA GLN A 58 -7.630 12.744 7.286 1.00 0.00 C ATOM 890 C GLN A 58 -7.184 11.646 8.247 1.00 0.00 C ATOM 891 O GLN A 58 -6.740 11.923 9.361 1.00 0.00 O ATOM 892 CB GLN A 58 -6.788 14.004 7.506 1.00 0.00 C ATOM 893 CG GLN A 58 -7.074 15.109 6.502 1.00 0.00 C ATOM 894 CD GLN A 58 -5.827 15.576 5.776 1.00 0.00 C ATOM 895 OE1 GLN A 58 -4.865 16.028 6.399 1.00 0.00 O ATOM 896 NE2 GLN A 58 -5.837 15.469 4.453 1.00 0.00 N ATOM 0 H GLN A 58 -9.619 12.866 6.631 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.482 12.389 6.266 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.971 14.382 8.512 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.732 13.739 7.452 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -7.802 14.753 5.773 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.527 15.955 7.018 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.656 15.089 3.978 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.026 15.767 3.911 1.00 0.00 H new ATOM 905 N GLN A 59 -7.301 10.399 7.804 1.00 0.00 N ATOM 906 CA GLN A 59 -6.907 9.255 8.619 1.00 0.00 C ATOM 907 C GLN A 59 -6.030 8.300 7.819 1.00 0.00 C ATOM 908 O GLN A 59 -6.169 8.197 6.602 1.00 0.00 O ATOM 909 CB GLN A 59 -8.146 8.519 9.133 1.00 0.00 C ATOM 910 CG GLN A 59 -8.939 7.815 8.042 1.00 0.00 C ATOM 911 CD GLN A 59 -9.621 6.555 8.538 1.00 0.00 C ATOM 912 OE1 GLN A 59 -10.137 6.512 9.655 1.00 0.00 O ATOM 913 NE2 GLN A 59 -9.626 5.520 7.706 1.00 0.00 N ATOM 0 H GLN A 59 -7.666 10.154 6.884 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.333 9.623 9.470 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.838 7.784 9.877 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -8.797 9.232 9.639 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.690 8.498 7.645 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.271 7.562 7.218 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.186 5.600 6.789 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.070 4.645 7.984 1.00 0.00 H new ATOM 922 N VAL A 60 -5.133 7.602 8.507 1.00 0.00 N ATOM 923 CA VAL A 60 -4.240 6.655 7.848 1.00 0.00 C ATOM 924 C VAL A 60 -4.902 5.287 7.704 1.00 0.00 C ATOM 925 O VAL A 60 -5.344 4.693 8.687 1.00 0.00 O ATOM 926 CB VAL A 60 -2.903 6.507 8.607 1.00 0.00 C ATOM 927 CG1 VAL A 60 -2.302 7.873 8.895 1.00 0.00 C ATOM 928 CG2 VAL A 60 -3.084 5.716 9.898 1.00 0.00 C ATOM 0 H VAL A 60 -5.005 7.673 9.516 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.030 7.056 6.856 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.215 5.951 7.970 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.360 7.751 9.430 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.120 8.396 7.956 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.994 8.453 9.506 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.125 5.629 10.409 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.794 6.232 10.544 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.462 4.721 9.665 1.00 0.00 H new ATOM 938 N VAL A 61 -4.972 4.796 6.472 1.00 0.00 N ATOM 939 CA VAL A 61 -5.583 3.503 6.198 1.00 0.00 C ATOM 940 C VAL A 61 -4.535 2.389 6.182 1.00 0.00 C ATOM 941 O VAL A 61 -4.852 1.223 6.417 1.00 0.00 O ATOM 942 CB VAL A 61 -6.352 3.517 4.857 1.00 0.00 C ATOM 943 CG1 VAL A 61 -7.226 4.758 4.754 1.00 0.00 C ATOM 944 CG2 VAL A 61 -5.393 3.442 3.676 1.00 0.00 C ATOM 0 H VAL A 61 -4.612 5.275 5.647 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.291 3.306 7.003 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.994 2.637 4.829 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.759 4.750 3.803 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.945 4.766 5.573 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.601 5.649 4.812 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.960 3.453 2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.718 4.298 3.700 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.813 2.521 3.736 1.00 0.00 H new ATOM 954 N ILE A 62 -3.286 2.758 5.907 1.00 0.00 N ATOM 955 CA ILE A 62 -2.193 1.796 5.866 1.00 0.00 C ATOM 956 C ILE A 62 -0.955 2.366 6.542 1.00 0.00 C ATOM 957 O ILE A 62 -0.675 3.560 6.438 1.00 0.00 O ATOM 958 CB ILE A 62 -1.838 1.392 4.419 1.00 0.00 C ATOM 959 CG1 ILE A 62 -0.797 0.271 4.421 1.00 0.00 C ATOM 960 CG2 ILE A 62 -1.321 2.592 3.638 1.00 0.00 C ATOM 961 CD1 ILE A 62 -0.736 -0.500 3.121 1.00 0.00 C ATOM 0 H ILE A 62 -3.008 3.719 5.709 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.530 0.908 6.400 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.743 1.029 3.932 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.184 0.698 4.627 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.021 -0.420 5.234 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.076 2.286 2.621 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.088 3.366 3.610 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.428 2.985 4.124 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.023 -1.278 3.195 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.706 -0.957 2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.482 0.179 2.307 1.00 0.00 H new ATOM 973 N ASN A 63 -0.222 1.512 7.239 1.00 0.00 N ATOM 974 CA ASN A 63 0.980 1.942 7.935 1.00 0.00 C ATOM 975 C ASN A 63 1.811 0.740 8.376 1.00 0.00 C ATOM 976 O ASN A 63 2.073 0.554 9.565 1.00 0.00 O ATOM 977 CB ASN A 63 0.598 2.807 9.138 1.00 0.00 C ATOM 978 CG ASN A 63 -0.251 2.057 10.145 1.00 0.00 C ATOM 979 OD1 ASN A 63 -0.319 0.828 10.127 1.00 0.00 O ATOM 980 ND2 ASN A 63 -0.908 2.796 11.032 1.00 0.00 N ATOM 0 H ASN A 63 -0.438 0.520 7.338 1.00 0.00 H new ATOM 0 HA ASN A 63 1.589 2.535 7.252 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.504 3.165 9.627 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.054 3.686 8.792 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -1.497 2.347 11.734 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.824 3.812 11.012 1.00 0.00 H new ATOM 987 N CYS A 64 2.224 -0.072 7.406 1.00 0.00 N ATOM 988 CA CYS A 64 3.027 -1.258 7.687 1.00 0.00 C ATOM 989 C CYS A 64 4.378 -1.175 6.982 1.00 0.00 C ATOM 990 O CYS A 64 4.465 -0.719 5.842 1.00 0.00 O ATOM 991 CB CYS A 64 2.283 -2.520 7.246 1.00 0.00 C ATOM 992 SG CYS A 64 2.522 -3.938 8.342 1.00 0.00 S ATOM 0 H CYS A 64 2.015 0.070 6.418 1.00 0.00 H new ATOM 0 HA CYS A 64 3.199 -1.306 8.762 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.218 -2.298 7.184 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.611 -2.791 6.242 1.00 0.00 H new ATOM 0 HG CYS A 64 1.852 -4.955 7.888 1.00 0.00 H new ATOM 998 N ALA A 65 5.428 -1.614 7.668 1.00 0.00 N ATOM 999 CA ALA A 65 6.773 -1.583 7.107 1.00 0.00 C ATOM 1000 C ALA A 65 7.038 -2.798 6.225 1.00 0.00 C ATOM 1001 O ALA A 65 6.732 -3.930 6.598 1.00 0.00 O ATOM 1002 CB ALA A 65 7.806 -1.501 8.219 1.00 0.00 C ATOM 0 H ALA A 65 5.373 -1.995 8.613 1.00 0.00 H new ATOM 0 HA ALA A 65 6.854 -0.694 6.481 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.806 -1.479 7.786 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.642 -0.594 8.801 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.711 -2.371 8.868 1.00 0.00 H new ATOM 1008 N ILE A 66 7.619 -2.552 5.054 1.00 0.00 N ATOM 1009 CA ILE A 66 7.939 -3.624 4.116 1.00 0.00 C ATOM 1010 C ILE A 66 9.445 -3.783 3.969 1.00 0.00 C ATOM 1011 O ILE A 66 10.156 -2.817 3.689 1.00 0.00 O ATOM 1012 CB ILE A 66 7.330 -3.377 2.718 1.00 0.00 C ATOM 1013 CG1 ILE A 66 7.253 -1.881 2.410 1.00 0.00 C ATOM 1014 CG2 ILE A 66 5.951 -4.013 2.619 1.00 0.00 C ATOM 1015 CD1 ILE A 66 7.278 -1.580 0.929 1.00 0.00 C ATOM 0 H ILE A 66 7.878 -1.619 4.732 1.00 0.00 H new ATOM 0 HA ILE A 66 7.505 -4.534 4.530 1.00 0.00 H new ATOM 0 HB ILE A 66 7.982 -3.841 1.978 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.339 -1.473 2.842 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.088 -1.373 2.892 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.536 -3.830 1.628 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.033 -5.087 2.785 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.295 -3.578 3.373 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.221 -0.502 0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.204 -1.959 0.496 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.428 -2.061 0.446 1.00 0.00 H new ATOM 1027 N VAL A 67 9.930 -5.005 4.155 1.00 0.00 N ATOM 1028 CA VAL A 67 11.353 -5.278 4.037 1.00 0.00 C ATOM 1029 C VAL A 67 11.610 -6.622 3.374 1.00 0.00 C ATOM 1030 O VAL A 67 11.339 -7.674 3.952 1.00 0.00 O ATOM 1031 CB VAL A 67 12.054 -5.258 5.404 1.00 0.00 C ATOM 1032 CG1 VAL A 67 11.972 -3.874 6.029 1.00 0.00 C ATOM 1033 CG2 VAL A 67 11.456 -6.307 6.330 1.00 0.00 C ATOM 0 H VAL A 67 9.360 -5.818 4.387 1.00 0.00 H new ATOM 0 HA VAL A 67 11.764 -4.483 3.415 1.00 0.00 H new ATOM 0 HB VAL A 67 13.106 -5.500 5.253 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.474 -3.881 6.996 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.456 -3.150 5.374 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.926 -3.598 6.165 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.967 -6.276 7.293 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.395 -6.102 6.475 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.577 -7.295 5.887 1.00 0.00 H new ATOM 1043 N ARG A 68 12.149 -6.568 2.158 1.00 0.00 N ATOM 1044 CA ARG A 68 12.477 -7.764 1.374 1.00 0.00 C ATOM 1045 C ARG A 68 11.587 -8.951 1.741 1.00 0.00 C ATOM 1046 O ARG A 68 12.076 -10.057 1.977 1.00 0.00 O ATOM 1047 CB ARG A 68 13.944 -8.135 1.586 1.00 0.00 C ATOM 1048 CG ARG A 68 14.238 -8.668 2.979 1.00 0.00 C ATOM 1049 CD ARG A 68 15.464 -8.007 3.586 1.00 0.00 C ATOM 1050 NE ARG A 68 16.624 -8.897 3.586 1.00 0.00 N ATOM 1051 CZ ARG A 68 17.876 -8.481 3.760 1.00 0.00 C ATOM 1052 NH1 ARG A 68 18.136 -7.192 3.946 1.00 0.00 N ATOM 1053 NH2 ARG A 68 18.872 -9.355 3.747 1.00 0.00 N ATOM 0 H ARG A 68 12.372 -5.693 1.684 1.00 0.00 H new ATOM 0 HA ARG A 68 12.300 -7.529 0.324 1.00 0.00 H new ATOM 0 HB2 ARG A 68 14.231 -8.886 0.850 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.563 -7.257 1.403 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.376 -8.497 3.624 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.392 -9.746 2.931 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.702 -7.102 3.027 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.242 -7.701 4.608 1.00 0.00 H new ATOM 0 HE ARG A 68 16.464 -9.894 3.444 1.00 0.00 H new ATOM 0 HH11 ARG A 68 17.374 -6.514 3.956 1.00 0.00 H new ATOM 0 HH12 ARG A 68 19.098 -6.880 4.079 1.00 0.00 H new ATOM 0 HH21 ARG A 68 18.679 -10.346 3.604 1.00 0.00 H new ATOM 0 HH22 ARG A 68 19.832 -9.036 3.880 1.00 0.00 H new ATOM 1067 N GLY A 69 10.283 -8.715 1.797 1.00 0.00 N ATOM 1068 CA GLY A 69 9.358 -9.774 2.148 1.00 0.00 C ATOM 1069 C GLY A 69 8.077 -9.721 1.344 1.00 0.00 C ATOM 1070 O GLY A 69 7.523 -10.760 0.983 1.00 0.00 O ATOM 0 H GLY A 69 9.850 -7.811 1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.841 -10.739 1.992 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.119 -9.705 3.209 1.00 0.00 H new ATOM 1074 N VAL A 70 7.600 -8.515 1.061 1.00 0.00 N ATOM 1075 CA VAL A 70 6.377 -8.351 0.296 1.00 0.00 C ATOM 1076 C VAL A 70 6.681 -8.247 -1.194 1.00 0.00 C ATOM 1077 O VAL A 70 7.668 -7.634 -1.600 1.00 0.00 O ATOM 1078 CB VAL A 70 5.586 -7.109 0.765 1.00 0.00 C ATOM 1079 CG1 VAL A 70 4.729 -6.548 -0.352 1.00 0.00 C ATOM 1080 CG2 VAL A 70 4.713 -7.455 1.953 1.00 0.00 C ATOM 0 H VAL A 70 8.041 -7.642 1.350 1.00 0.00 H new ATOM 0 HA VAL A 70 5.761 -9.234 0.467 1.00 0.00 H new ATOM 0 HB VAL A 70 6.310 -6.349 1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.185 -5.675 0.010 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.365 -6.258 -1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.019 -7.307 -0.682 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.163 -6.569 2.271 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.009 -8.238 1.671 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.338 -7.807 2.773 1.00 0.00 H new ATOM 1090 N LYS A 71 5.820 -8.852 -2.001 1.00 0.00 N ATOM 1091 CA LYS A 71 5.981 -8.834 -3.448 1.00 0.00 C ATOM 1092 C LYS A 71 4.671 -8.464 -4.134 1.00 0.00 C ATOM 1093 O LYS A 71 3.734 -9.262 -4.180 1.00 0.00 O ATOM 1094 CB LYS A 71 6.465 -10.198 -3.947 1.00 0.00 C ATOM 1095 CG LYS A 71 6.773 -10.226 -5.436 1.00 0.00 C ATOM 1096 CD LYS A 71 5.577 -10.708 -6.243 1.00 0.00 C ATOM 1097 CE LYS A 71 5.761 -12.143 -6.711 1.00 0.00 C ATOM 1098 NZ LYS A 71 5.231 -12.348 -8.088 1.00 0.00 N ATOM 0 H LYS A 71 5.000 -9.363 -1.676 1.00 0.00 H new ATOM 0 HA LYS A 71 6.728 -8.080 -3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.360 -10.481 -3.394 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.704 -10.947 -3.727 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.059 -9.228 -5.768 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.625 -10.880 -5.620 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.674 -10.635 -5.636 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.434 -10.058 -7.106 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.820 -12.400 -6.687 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.253 -12.818 -6.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.375 -13.338 -8.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.215 -12.127 -8.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.733 -11.722 -8.750 1.00 0.00 H new ATOM 1112 N TYR A 72 4.610 -7.247 -4.668 1.00 0.00 N ATOM 1113 CA TYR A 72 3.415 -6.769 -5.356 1.00 0.00 C ATOM 1114 C TYR A 72 2.994 -7.748 -6.449 1.00 0.00 C ATOM 1115 O TYR A 72 3.745 -8.002 -7.390 1.00 0.00 O ATOM 1116 CB TYR A 72 3.679 -5.387 -5.962 1.00 0.00 C ATOM 1117 CG TYR A 72 3.326 -4.234 -5.046 1.00 0.00 C ATOM 1118 CD1 TYR A 72 3.324 -4.394 -3.667 1.00 0.00 C ATOM 1119 CD2 TYR A 72 3.000 -2.985 -5.564 1.00 0.00 C ATOM 1120 CE1 TYR A 72 3.009 -3.345 -2.828 1.00 0.00 C ATOM 1121 CE2 TYR A 72 2.683 -1.928 -4.730 1.00 0.00 C ATOM 1122 CZ TYR A 72 2.689 -2.114 -3.362 1.00 0.00 C ATOM 1123 OH TYR A 72 2.381 -1.068 -2.525 1.00 0.00 O ATOM 0 H TYR A 72 5.375 -6.573 -4.637 1.00 0.00 H new ATOM 0 HA TYR A 72 2.605 -6.693 -4.631 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.733 -5.315 -6.230 1.00 0.00 H new ATOM 0 HB3 TYR A 72 3.108 -5.292 -6.886 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.573 -5.356 -3.244 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.994 -2.838 -6.634 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.013 -3.487 -1.757 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.432 -0.963 -5.146 1.00 0.00 H new ATOM 0 HH TYR A 72 1.652 -0.542 -2.914 1.00 0.00 H new ATOM 1133 N ASN A 73 1.793 -8.303 -6.312 1.00 0.00 N ATOM 1134 CA ASN A 73 1.281 -9.263 -7.284 1.00 0.00 C ATOM 1135 C ASN A 73 0.429 -8.578 -8.347 1.00 0.00 C ATOM 1136 O ASN A 73 0.407 -9.001 -9.503 1.00 0.00 O ATOM 1137 CB ASN A 73 0.459 -10.342 -6.577 1.00 0.00 C ATOM 1138 CG ASN A 73 0.574 -11.693 -7.253 1.00 0.00 C ATOM 1139 OD1 ASN A 73 1.621 -12.338 -7.203 1.00 0.00 O ATOM 1140 ND2 ASN A 73 -0.505 -12.128 -7.893 1.00 0.00 N ATOM 0 H ASN A 73 1.158 -8.105 -5.539 1.00 0.00 H new ATOM 0 HA ASN A 73 2.136 -9.724 -7.779 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.791 -10.427 -5.542 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.588 -10.039 -6.552 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.487 -13.030 -8.369 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.352 -11.560 -7.909 1.00 0.00 H new ATOM 1147 N GLN A 74 -0.277 -7.524 -7.950 1.00 0.00 N ATOM 1148 CA GLN A 74 -1.136 -6.790 -8.873 1.00 0.00 C ATOM 1149 C GLN A 74 -2.288 -7.669 -9.348 1.00 0.00 C ATOM 1150 O GLN A 74 -2.247 -8.225 -10.444 1.00 0.00 O ATOM 1151 CB GLN A 74 -0.327 -6.291 -10.074 1.00 0.00 C ATOM 1152 CG GLN A 74 -1.016 -5.182 -10.852 1.00 0.00 C ATOM 1153 CD GLN A 74 -1.296 -5.566 -12.292 1.00 0.00 C ATOM 1154 OE1 GLN A 74 -0.556 -5.194 -13.202 1.00 0.00 O ATOM 1155 NE2 GLN A 74 -2.372 -6.314 -12.505 1.00 0.00 N ATOM 0 H GLN A 74 -0.271 -7.159 -6.997 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.548 -5.930 -8.345 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.641 -5.932 -9.725 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.134 -7.128 -10.745 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.954 -4.926 -10.359 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.392 -4.288 -10.833 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.958 -6.600 -11.720 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.613 -6.603 -13.453 1.00 0.00 H new ATOM 1164 N ALA A 75 -3.313 -7.790 -8.510 1.00 0.00 N ATOM 1165 CA ALA A 75 -4.479 -8.603 -8.835 1.00 0.00 C ATOM 1166 C ALA A 75 -5.091 -8.187 -10.168 1.00 0.00 C ATOM 1167 O ALA A 75 -5.596 -9.021 -10.918 1.00 0.00 O ATOM 1168 CB ALA A 75 -5.515 -8.498 -7.725 1.00 0.00 C ATOM 0 H ALA A 75 -3.359 -7.334 -7.599 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.154 -9.639 -8.925 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.382 -9.109 -7.977 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.082 -8.851 -6.789 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.824 -7.459 -7.613 1.00 0.00 H new ATOM 1174 N THR A 76 -5.040 -6.891 -10.455 1.00 0.00 N ATOM 1175 CA THR A 76 -5.590 -6.362 -11.696 1.00 0.00 C ATOM 1176 C THR A 76 -4.893 -5.062 -12.084 1.00 0.00 C ATOM 1177 O THR A 76 -4.251 -4.421 -11.253 1.00 0.00 O ATOM 1178 CB THR A 76 -7.095 -6.122 -11.546 1.00 0.00 C ATOM 1179 OG1 THR A 76 -7.376 -5.457 -10.329 1.00 0.00 O ATOM 1180 CG2 THR A 76 -7.906 -7.398 -11.570 1.00 0.00 C ATOM 0 H THR A 76 -4.623 -6.188 -9.845 1.00 0.00 H new ATOM 0 HA THR A 76 -5.422 -7.095 -12.485 1.00 0.00 H new ATOM 0 HB THR A 76 -7.380 -5.512 -12.403 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.546 -6.119 -9.626 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.964 -7.159 -11.459 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.747 -7.912 -12.518 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.592 -8.044 -10.750 1.00 0.00 H new ATOM 1188 N PRO A 77 -5.013 -4.648 -13.359 1.00 0.00 N ATOM 1189 CA PRO A 77 -4.395 -3.417 -13.856 1.00 0.00 C ATOM 1190 C PRO A 77 -4.632 -2.232 -12.923 1.00 0.00 C ATOM 1191 O PRO A 77 -3.849 -1.283 -12.903 1.00 0.00 O ATOM 1192 CB PRO A 77 -5.079 -3.180 -15.214 1.00 0.00 C ATOM 1193 CG PRO A 77 -6.168 -4.202 -15.310 1.00 0.00 C ATOM 1194 CD PRO A 77 -5.757 -5.337 -14.419 1.00 0.00 C ATOM 0 HA PRO A 77 -3.312 -3.512 -13.928 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.485 -2.170 -15.276 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.368 -3.289 -16.033 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.123 -3.784 -14.992 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.295 -4.541 -16.338 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.618 -5.878 -14.026 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.137 -6.063 -14.945 1.00 0.00 H new ATOM 1202 N ASN A 78 -5.717 -2.291 -12.155 1.00 0.00 N ATOM 1203 CA ASN A 78 -6.049 -1.218 -11.225 1.00 0.00 C ATOM 1204 C ASN A 78 -6.153 -1.740 -9.793 1.00 0.00 C ATOM 1205 O ASN A 78 -6.977 -1.265 -9.010 1.00 0.00 O ATOM 1206 CB ASN A 78 -7.360 -0.545 -11.637 1.00 0.00 C ATOM 1207 CG ASN A 78 -8.565 -1.449 -11.455 1.00 0.00 C ATOM 1208 OD1 ASN A 78 -8.723 -2.443 -12.164 1.00 0.00 O ATOM 1209 ND2 ASN A 78 -9.422 -1.107 -10.500 1.00 0.00 N ATOM 0 H ASN A 78 -6.378 -3.068 -12.159 1.00 0.00 H new ATOM 0 HA ASN A 78 -5.245 -0.483 -11.260 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.499 0.362 -11.048 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.294 -0.240 -12.681 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -10.251 -1.677 -10.331 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.251 -0.274 -9.936 1.00 0.00 H new ATOM 1216 N PHE A 79 -5.314 -2.715 -9.451 1.00 0.00 N ATOM 1217 CA PHE A 79 -5.319 -3.286 -8.106 1.00 0.00 C ATOM 1218 C PHE A 79 -3.958 -3.883 -7.755 1.00 0.00 C ATOM 1219 O PHE A 79 -3.493 -4.820 -8.404 1.00 0.00 O ATOM 1220 CB PHE A 79 -6.404 -4.359 -7.988 1.00 0.00 C ATOM 1221 CG PHE A 79 -6.955 -4.514 -6.599 1.00 0.00 C ATOM 1222 CD1 PHE A 79 -6.317 -5.320 -5.667 1.00 0.00 C ATOM 1223 CD2 PHE A 79 -8.117 -3.856 -6.225 1.00 0.00 C ATOM 1224 CE1 PHE A 79 -6.831 -5.466 -4.389 1.00 0.00 C ATOM 1225 CE2 PHE A 79 -8.632 -3.999 -4.950 1.00 0.00 C ATOM 1226 CZ PHE A 79 -7.988 -4.805 -4.033 1.00 0.00 C ATOM 0 H PHE A 79 -4.626 -3.124 -10.082 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.532 -2.481 -7.402 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.220 -4.113 -8.667 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -5.994 -5.315 -8.315 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -5.410 -5.839 -5.941 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.626 -3.224 -6.938 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -6.326 -6.097 -3.672 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -9.538 -3.480 -4.672 1.00 0.00 H new ATOM 0 HZ PHE A 79 -8.390 -4.918 -3.037 1.00 0.00 H new ATOM 1236 N HIS A 80 -3.329 -3.341 -6.714 1.00 0.00 N ATOM 1237 CA HIS A 80 -2.027 -3.825 -6.265 1.00 0.00 C ATOM 1238 C HIS A 80 -2.155 -4.517 -4.914 1.00 0.00 C ATOM 1239 O HIS A 80 -2.304 -3.866 -3.881 1.00 0.00 O ATOM 1240 CB HIS A 80 -1.020 -2.679 -6.189 1.00 0.00 C ATOM 1241 CG HIS A 80 -0.140 -2.598 -7.398 1.00 0.00 C ATOM 1242 ND1 HIS A 80 -0.273 -1.623 -8.366 1.00 0.00 N ATOM 1243 CD2 HIS A 80 0.879 -3.392 -7.805 1.00 0.00 C ATOM 1244 CE1 HIS A 80 0.624 -1.823 -9.315 1.00 0.00 C ATOM 1245 NE2 HIS A 80 1.334 -2.888 -8.999 1.00 0.00 N ATOM 0 H HIS A 80 -3.701 -2.566 -6.166 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.661 -4.550 -6.992 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.556 -1.737 -6.072 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.400 -2.805 -5.302 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -0.957 -0.866 -8.351 1.00 0.00 H new ATOM 0 HD2 HIS A 80 1.262 -4.259 -7.288 1.00 0.00 H new ATOM 0 HE1 HIS A 80 0.754 -1.217 -10.199 1.00 0.00 H new ATOM 1254 N GLN A 81 -2.112 -5.844 -4.937 1.00 0.00 N ATOM 1255 CA GLN A 81 -2.240 -6.638 -3.723 1.00 0.00 C ATOM 1256 C GLN A 81 -0.941 -7.368 -3.397 1.00 0.00 C ATOM 1257 O GLN A 81 -0.227 -7.820 -4.293 1.00 0.00 O ATOM 1258 CB GLN A 81 -3.388 -7.643 -3.894 1.00 0.00 C ATOM 1259 CG GLN A 81 -3.405 -8.761 -2.861 1.00 0.00 C ATOM 1260 CD GLN A 81 -4.322 -9.902 -3.256 1.00 0.00 C ATOM 1261 OE1 GLN A 81 -5.410 -9.685 -3.789 1.00 0.00 O ATOM 1262 NE2 GLN A 81 -3.884 -11.128 -2.997 1.00 0.00 N ATOM 0 H GLN A 81 -1.989 -6.394 -5.787 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.458 -5.969 -2.891 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -4.335 -7.106 -3.845 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.323 -8.085 -4.888 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.393 -9.142 -2.726 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.724 -8.358 -1.900 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.975 -11.262 -2.554 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.456 -11.936 -3.241 1.00 0.00 H new ATOM 1271 N TRP A 82 -0.651 -7.494 -2.105 1.00 0.00 N ATOM 1272 CA TRP A 82 0.554 -8.186 -1.657 1.00 0.00 C ATOM 1273 C TRP A 82 0.317 -8.947 -0.359 1.00 0.00 C ATOM 1274 O TRP A 82 -0.626 -8.666 0.381 1.00 0.00 O ATOM 1275 CB TRP A 82 1.716 -7.212 -1.454 1.00 0.00 C ATOM 1276 CG TRP A 82 1.409 -6.074 -0.526 1.00 0.00 C ATOM 1277 CD1 TRP A 82 1.659 -6.023 0.816 1.00 0.00 C ATOM 1278 CD2 TRP A 82 0.811 -4.819 -0.870 1.00 0.00 C ATOM 1279 NE1 TRP A 82 1.259 -4.813 1.325 1.00 0.00 N ATOM 1280 CE2 TRP A 82 0.733 -4.057 0.311 1.00 0.00 C ATOM 1281 CE3 TRP A 82 0.334 -4.264 -2.061 1.00 0.00 C ATOM 1282 CZ2 TRP A 82 0.200 -2.771 0.335 1.00 0.00 C ATOM 1283 CZ3 TRP A 82 -0.196 -2.988 -2.036 1.00 0.00 C ATOM 1284 CH2 TRP A 82 -0.258 -2.254 -0.844 1.00 0.00 C ATOM 0 H TRP A 82 -1.232 -7.127 -1.351 1.00 0.00 H new ATOM 0 HA TRP A 82 0.811 -8.895 -2.444 1.00 0.00 H new ATOM 0 HB2 TRP A 82 2.573 -7.762 -1.065 1.00 0.00 H new ATOM 0 HB3 TRP A 82 2.010 -6.807 -2.423 1.00 0.00 H new ATOM 0 HD1 TRP A 82 2.106 -6.819 1.393 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.340 -4.524 2.300 1.00 0.00 H new ATOM 0 HE3 TRP A 82 0.379 -4.822 -2.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.150 -2.203 1.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -0.568 -2.549 -2.950 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -0.677 -1.259 -0.857 1.00 0.00 H new ATOM 1295 N ARG A 83 1.204 -9.897 -0.085 1.00 0.00 N ATOM 1296 CA ARG A 83 1.134 -10.695 1.130 1.00 0.00 C ATOM 1297 C ARG A 83 2.393 -10.472 1.958 1.00 0.00 C ATOM 1298 O ARG A 83 3.496 -10.805 1.525 1.00 0.00 O ATOM 1299 CB ARG A 83 0.982 -12.180 0.791 1.00 0.00 C ATOM 1300 CG ARG A 83 0.456 -13.016 1.948 1.00 0.00 C ATOM 1301 CD ARG A 83 0.943 -14.454 1.863 1.00 0.00 C ATOM 1302 NE ARG A 83 0.650 -15.055 0.565 1.00 0.00 N ATOM 1303 CZ ARG A 83 0.646 -16.367 0.339 1.00 0.00 C ATOM 1304 NH1 ARG A 83 0.914 -17.218 1.323 1.00 0.00 N ATOM 1305 NH2 ARG A 83 0.374 -16.830 -0.873 1.00 0.00 N ATOM 0 H ARG A 83 1.986 -10.133 -0.695 1.00 0.00 H new ATOM 0 HA ARG A 83 0.262 -10.385 1.707 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.306 -12.283 -0.058 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.949 -12.574 0.479 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.779 -12.577 2.892 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.634 -12.999 1.945 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.018 -14.484 2.042 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.472 -15.043 2.650 1.00 0.00 H new ATOM 0 HE ARG A 83 0.436 -14.433 -0.215 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.124 -16.867 2.257 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.910 -18.222 1.144 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.168 -16.181 -1.632 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.371 -17.835 -1.046 1.00 0.00 H new ATOM 1319 N ASP A 84 2.228 -9.885 3.136 1.00 0.00 N ATOM 1320 CA ASP A 84 3.363 -9.596 4.002 1.00 0.00 C ATOM 1321 C ASP A 84 3.597 -10.722 5.009 1.00 0.00 C ATOM 1322 O ASP A 84 4.458 -11.579 4.804 1.00 0.00 O ATOM 1323 CB ASP A 84 3.144 -8.248 4.708 1.00 0.00 C ATOM 1324 CG ASP A 84 3.834 -8.145 6.058 1.00 0.00 C ATOM 1325 OD1 ASP A 84 5.060 -8.380 6.117 1.00 0.00 O ATOM 1326 OD2 ASP A 84 3.150 -7.829 7.052 1.00 0.00 O ATOM 0 H ASP A 84 1.324 -9.601 3.512 1.00 0.00 H new ATOM 0 HA ASP A 84 4.262 -9.528 3.390 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.506 -7.447 4.063 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.074 -8.089 4.844 1.00 0.00 H new ATOM 1331 N ALA A 85 2.837 -10.712 6.096 1.00 0.00 N ATOM 1332 CA ALA A 85 2.975 -11.728 7.132 1.00 0.00 C ATOM 1333 C ALA A 85 1.847 -12.749 7.059 1.00 0.00 C ATOM 1334 O ALA A 85 2.071 -13.917 6.737 1.00 0.00 O ATOM 1335 CB ALA A 85 3.008 -11.075 8.505 1.00 0.00 C ATOM 0 H ALA A 85 2.119 -10.012 6.284 1.00 0.00 H new ATOM 0 HA ALA A 85 3.915 -12.255 6.965 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.111 -11.844 9.271 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.854 -10.390 8.562 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.082 -10.523 8.668 1.00 0.00 H new ATOM 1341 N ARG A 86 0.636 -12.303 7.364 1.00 0.00 N ATOM 1342 CA ARG A 86 -0.531 -13.182 7.335 1.00 0.00 C ATOM 1343 C ARG A 86 -1.756 -12.479 6.751 1.00 0.00 C ATOM 1344 O ARG A 86 -2.825 -13.078 6.636 1.00 0.00 O ATOM 1345 CB ARG A 86 -0.852 -13.690 8.742 1.00 0.00 C ATOM 1346 CG ARG A 86 -2.066 -14.606 8.793 1.00 0.00 C ATOM 1347 CD ARG A 86 -1.856 -15.759 9.762 1.00 0.00 C ATOM 1348 NE ARG A 86 -1.104 -16.855 9.153 1.00 0.00 N ATOM 1349 CZ ARG A 86 -1.617 -17.702 8.264 1.00 0.00 C ATOM 1350 NH1 ARG A 86 -2.880 -17.583 7.875 1.00 0.00 N ATOM 1351 NH2 ARG A 86 -0.863 -18.672 7.762 1.00 0.00 N ATOM 0 H ARG A 86 0.434 -11.340 7.634 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.285 -14.026 6.690 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.014 -14.225 9.133 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.023 -12.836 9.398 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.943 -14.033 9.093 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.268 -14.999 7.797 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.324 -15.400 10.643 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.824 -16.128 10.102 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.129 -16.978 9.426 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.464 -16.839 8.258 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.267 -18.235 7.193 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.109 -18.768 8.058 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.255 -19.322 7.081 1.00 0.00 H new ATOM 1365 N GLN A 87 -1.598 -11.214 6.378 1.00 0.00 N ATOM 1366 CA GLN A 87 -2.696 -10.450 5.804 1.00 0.00 C ATOM 1367 C GLN A 87 -2.323 -9.945 4.418 1.00 0.00 C ATOM 1368 O GLN A 87 -1.150 -9.930 4.045 1.00 0.00 O ATOM 1369 CB GLN A 87 -3.091 -9.270 6.707 1.00 0.00 C ATOM 1370 CG GLN A 87 -2.002 -8.815 7.670 1.00 0.00 C ATOM 1371 CD GLN A 87 -1.100 -7.751 7.076 1.00 0.00 C ATOM 1372 OE1 GLN A 87 -1.077 -6.612 7.543 1.00 0.00 O ATOM 1373 NE2 GLN A 87 -0.351 -8.116 6.043 1.00 0.00 N ATOM 0 H GLN A 87 -0.722 -10.698 6.463 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.556 -11.115 5.722 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -3.376 -8.427 6.077 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.973 -9.550 7.283 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.465 -8.427 8.578 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.399 -9.675 7.962 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -0.402 -9.071 5.688 1.00 0.00 H new ATOM 0 HE22 GLN A 87 0.276 -7.442 5.604 1.00 0.00 H new ATOM 1382 N VAL A 88 -3.328 -9.539 3.657 1.00 0.00 N ATOM 1383 CA VAL A 88 -3.106 -9.038 2.308 1.00 0.00 C ATOM 1384 C VAL A 88 -3.615 -7.610 2.171 1.00 0.00 C ATOM 1385 O VAL A 88 -4.760 -7.315 2.510 1.00 0.00 O ATOM 1386 CB VAL A 88 -3.794 -9.928 1.252 1.00 0.00 C ATOM 1387 CG1 VAL A 88 -3.063 -9.838 -0.076 1.00 0.00 C ATOM 1388 CG2 VAL A 88 -3.867 -11.374 1.727 1.00 0.00 C ATOM 0 H VAL A 88 -4.305 -9.546 3.950 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.030 -9.058 2.133 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.812 -9.566 1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.561 -10.472 -0.809 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.069 -8.805 -0.425 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.033 -10.172 0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.356 -11.983 0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.859 -11.751 1.901 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.438 -11.424 2.654 1.00 0.00 H new ATOM 1398 N TRP A 89 -2.754 -6.725 1.683 1.00 0.00 N ATOM 1399 CA TRP A 89 -3.116 -5.323 1.512 1.00 0.00 C ATOM 1400 C TRP A 89 -3.441 -5.011 0.054 1.00 0.00 C ATOM 1401 O TRP A 89 -2.557 -4.661 -0.729 1.00 0.00 O ATOM 1402 CB TRP A 89 -1.977 -4.426 1.996 1.00 0.00 C ATOM 1403 CG TRP A 89 -1.842 -4.378 3.487 1.00 0.00 C ATOM 1404 CD1 TRP A 89 -1.234 -5.305 4.284 1.00 0.00 C ATOM 1405 CD2 TRP A 89 -2.320 -3.348 4.360 1.00 0.00 C ATOM 1406 NE1 TRP A 89 -1.307 -4.915 5.599 1.00 0.00 N ATOM 1407 CE2 TRP A 89 -1.969 -3.718 5.672 1.00 0.00 C ATOM 1408 CE3 TRP A 89 -3.011 -2.149 4.161 1.00 0.00 C ATOM 1409 CZ2 TRP A 89 -2.286 -2.932 6.778 1.00 0.00 C ATOM 1410 CZ3 TRP A 89 -3.325 -1.371 5.259 1.00 0.00 C ATOM 1411 CH2 TRP A 89 -2.963 -1.764 6.552 1.00 0.00 C ATOM 0 H TRP A 89 -1.801 -6.953 1.399 1.00 0.00 H new ATOM 0 HA TRP A 89 -4.008 -5.128 2.108 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -1.040 -4.780 1.566 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -2.138 -3.415 1.622 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -0.765 -6.212 3.932 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -0.929 -5.433 6.393 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -3.294 -1.836 3.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -2.008 -3.233 7.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -3.859 -0.443 5.117 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -3.223 -1.133 7.389 1.00 0.00 H new ATOM 1422 N GLY A 90 -4.715 -5.138 -0.303 1.00 0.00 N ATOM 1423 CA GLY A 90 -5.139 -4.863 -1.663 1.00 0.00 C ATOM 1424 C GLY A 90 -5.464 -3.401 -1.884 1.00 0.00 C ATOM 1425 O GLY A 90 -6.315 -2.837 -1.200 1.00 0.00 O ATOM 0 H GLY A 90 -5.463 -5.427 0.327 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.352 -5.165 -2.354 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -6.017 -5.466 -1.896 1.00 0.00 H new ATOM 1429 N LEU A 91 -4.782 -2.787 -2.841 1.00 0.00 N ATOM 1430 CA LEU A 91 -4.998 -1.379 -3.145 1.00 0.00 C ATOM 1431 C LEU A 91 -5.831 -1.202 -4.405 1.00 0.00 C ATOM 1432 O LEU A 91 -5.362 -1.473 -5.509 1.00 0.00 O ATOM 1433 CB LEU A 91 -3.655 -0.665 -3.329 1.00 0.00 C ATOM 1434 CG LEU A 91 -3.068 -0.031 -2.068 1.00 0.00 C ATOM 1435 CD1 LEU A 91 -3.795 1.259 -1.733 1.00 0.00 C ATOM 1436 CD2 LEU A 91 -3.125 -1.005 -0.900 1.00 0.00 C ATOM 0 H LEU A 91 -4.075 -3.241 -3.420 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.539 -0.943 -2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.934 -1.381 -3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.777 0.113 -4.083 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.021 0.207 -2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.364 1.696 -0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.693 1.960 -2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.851 1.048 -1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.702 -0.534 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.162 -1.280 -0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.552 -1.899 -1.144 1.00 0.00 H new ATOM 1448 N ASN A 92 -7.058 -0.719 -4.245 1.00 0.00 N ATOM 1449 CA ASN A 92 -7.921 -0.483 -5.395 1.00 0.00 C ATOM 1450 C ASN A 92 -7.761 0.952 -5.867 1.00 0.00 C ATOM 1451 O ASN A 92 -8.250 1.889 -5.239 1.00 0.00 O ATOM 1452 CB ASN A 92 -9.387 -0.750 -5.062 1.00 0.00 C ATOM 1453 CG ASN A 92 -10.211 -1.078 -6.298 1.00 0.00 C ATOM 1454 OD1 ASN A 92 -11.147 -1.876 -6.233 1.00 0.00 O ATOM 1455 ND2 ASN A 92 -9.874 -0.465 -7.437 1.00 0.00 N ATOM 0 H ASN A 92 -7.473 -0.486 -3.343 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.623 -1.172 -6.185 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -9.452 -1.577 -4.355 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -9.810 0.125 -4.568 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.399 -0.652 -8.291 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.092 0.190 -7.452 1.00 0.00 H new ATOM 1462 N PHE A 93 -7.053 1.112 -6.973 1.00 0.00 N ATOM 1463 CA PHE A 93 -6.793 2.424 -7.538 1.00 0.00 C ATOM 1464 C PHE A 93 -7.994 2.976 -8.288 1.00 0.00 C ATOM 1465 O PHE A 93 -8.925 2.247 -8.628 1.00 0.00 O ATOM 1466 CB PHE A 93 -5.591 2.348 -8.467 1.00 0.00 C ATOM 1467 CG PHE A 93 -4.383 1.745 -7.816 1.00 0.00 C ATOM 1468 CD1 PHE A 93 -3.516 2.522 -7.065 1.00 0.00 C ATOM 1469 CD2 PHE A 93 -4.124 0.393 -7.942 1.00 0.00 C ATOM 1470 CE1 PHE A 93 -2.414 1.960 -6.455 1.00 0.00 C ATOM 1471 CE2 PHE A 93 -3.022 -0.174 -7.338 1.00 0.00 C ATOM 1472 CZ PHE A 93 -2.166 0.610 -6.592 1.00 0.00 C ATOM 0 H PHE A 93 -6.645 0.341 -7.501 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.586 3.105 -6.713 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -5.855 1.759 -9.346 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -5.346 3.351 -8.817 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.705 3.580 -6.956 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -4.793 -0.227 -8.521 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.746 2.576 -5.871 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.829 -1.231 -7.449 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.303 0.167 -6.116 1.00 0.00 H new ATOM 1482 N GLY A 94 -7.953 4.278 -8.545 1.00 0.00 N ATOM 1483 CA GLY A 94 -9.033 4.930 -9.262 1.00 0.00 C ATOM 1484 C GLY A 94 -8.848 4.858 -10.765 1.00 0.00 C ATOM 1485 O GLY A 94 -9.819 4.888 -11.520 1.00 0.00 O ATOM 0 H GLY A 94 -7.189 4.895 -8.269 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.980 4.463 -8.991 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.093 5.974 -8.955 1.00 0.00 H new ATOM 1489 N SER A 95 -7.594 4.759 -11.198 1.00 0.00 N ATOM 1490 CA SER A 95 -7.276 4.679 -12.618 1.00 0.00 C ATOM 1491 C SER A 95 -5.992 3.885 -12.837 1.00 0.00 C ATOM 1492 O SER A 95 -5.197 3.706 -11.915 1.00 0.00 O ATOM 1493 CB SER A 95 -7.132 6.080 -13.212 1.00 0.00 C ATOM 1494 OG SER A 95 -7.303 6.058 -14.619 1.00 0.00 O ATOM 0 H SER A 95 -6.781 4.732 -10.583 1.00 0.00 H new ATOM 0 HA SER A 95 -8.094 4.165 -13.122 1.00 0.00 H new ATOM 0 HB2 SER A 95 -7.869 6.746 -12.763 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.149 6.482 -12.968 1.00 0.00 H new ATOM 0 HG SER A 95 -7.208 6.966 -14.974 1.00 0.00 H new ATOM 1500 N LYS A 96 -5.796 3.411 -14.063 1.00 0.00 N ATOM 1501 CA LYS A 96 -4.608 2.635 -14.401 1.00 0.00 C ATOM 1502 C LYS A 96 -3.332 3.428 -14.126 1.00 0.00 C ATOM 1503 O LYS A 96 -2.270 2.849 -13.899 1.00 0.00 O ATOM 1504 CB LYS A 96 -4.653 2.213 -15.871 1.00 0.00 C ATOM 1505 CG LYS A 96 -4.952 3.360 -16.824 1.00 0.00 C ATOM 1506 CD LYS A 96 -6.002 2.971 -17.851 1.00 0.00 C ATOM 1507 CE LYS A 96 -6.954 4.122 -18.138 1.00 0.00 C ATOM 1508 NZ LYS A 96 -7.389 4.140 -19.561 1.00 0.00 N ATOM 0 H LYS A 96 -6.444 3.550 -14.838 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.598 1.745 -13.771 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.696 1.767 -16.142 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.412 1.441 -15.996 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.298 4.224 -16.257 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.036 3.659 -17.334 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.512 2.663 -18.775 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.567 2.112 -17.488 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.828 4.040 -17.492 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.466 5.066 -17.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.037 4.939 -19.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -6.557 4.244 -20.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.877 3.250 -19.786 1.00 0.00 H new ATOM 1522 N GLU A 97 -3.441 4.753 -14.154 1.00 0.00 N ATOM 1523 CA GLU A 97 -2.291 5.617 -13.911 1.00 0.00 C ATOM 1524 C GLU A 97 -1.818 5.507 -12.465 1.00 0.00 C ATOM 1525 O GLU A 97 -0.670 5.146 -12.206 1.00 0.00 O ATOM 1526 CB GLU A 97 -2.638 7.071 -14.240 1.00 0.00 C ATOM 1527 CG GLU A 97 -1.566 7.781 -15.052 1.00 0.00 C ATOM 1528 CD GLU A 97 -1.555 7.351 -16.506 1.00 0.00 C ATOM 1529 OE1 GLU A 97 -1.538 6.128 -16.763 1.00 0.00 O ATOM 1530 OE2 GLU A 97 -1.562 8.236 -17.387 1.00 0.00 O ATOM 0 H GLU A 97 -4.311 5.250 -14.342 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.481 5.289 -14.562 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -3.577 7.096 -14.792 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.800 7.617 -13.311 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.727 8.858 -14.997 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.590 7.582 -14.611 1.00 0.00 H new ATOM 1537 N ASP A 98 -2.709 5.813 -11.525 1.00 0.00 N ATOM 1538 CA ASP A 98 -2.376 5.741 -10.106 1.00 0.00 C ATOM 1539 C ASP A 98 -1.703 4.412 -9.779 1.00 0.00 C ATOM 1540 O ASP A 98 -0.589 4.376 -9.255 1.00 0.00 O ATOM 1541 CB ASP A 98 -3.637 5.908 -9.255 1.00 0.00 C ATOM 1542 CG ASP A 98 -4.453 7.119 -9.663 1.00 0.00 C ATOM 1543 OD1 ASP A 98 -3.881 8.037 -10.288 1.00 0.00 O ATOM 1544 OD2 ASP A 98 -5.663 7.151 -9.357 1.00 0.00 O ATOM 0 H ASP A 98 -3.664 6.112 -11.720 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.683 6.550 -9.877 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.252 5.012 -9.342 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.355 6.000 -8.206 1.00 0.00 H new ATOM 1549 N ALA A 99 -2.389 3.322 -10.104 1.00 0.00 N ATOM 1550 CA ALA A 99 -1.870 1.982 -9.861 1.00 0.00 C ATOM 1551 C ALA A 99 -0.440 1.831 -10.374 1.00 0.00 C ATOM 1552 O ALA A 99 0.366 1.107 -9.788 1.00 0.00 O ATOM 1553 CB ALA A 99 -2.780 0.952 -10.512 1.00 0.00 C ATOM 0 H ALA A 99 -3.311 3.341 -10.539 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.849 1.816 -8.784 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.388 -0.048 -10.328 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.782 1.033 -10.090 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -2.824 1.132 -11.586 1.00 0.00 H new ATOM 1559 N ALA A 100 -0.129 2.515 -11.472 1.00 0.00 N ATOM 1560 CA ALA A 100 1.205 2.449 -12.058 1.00 0.00 C ATOM 1561 C ALA A 100 2.223 3.204 -11.207 1.00 0.00 C ATOM 1562 O ALA A 100 3.401 2.845 -11.167 1.00 0.00 O ATOM 1563 CB ALA A 100 1.185 3.001 -13.475 1.00 0.00 C ATOM 0 H ALA A 100 -0.781 3.119 -11.972 1.00 0.00 H new ATOM 0 HA ALA A 100 1.508 1.402 -12.090 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.187 2.946 -13.901 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.499 2.413 -14.085 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.855 4.040 -13.456 1.00 0.00 H new ATOM 1569 N GLN A 101 1.764 4.253 -10.533 1.00 0.00 N ATOM 1570 CA GLN A 101 2.637 5.061 -9.688 1.00 0.00 C ATOM 1571 C GLN A 101 2.947 4.351 -8.374 1.00 0.00 C ATOM 1572 O GLN A 101 4.109 4.235 -7.976 1.00 0.00 O ATOM 1573 CB GLN A 101 1.991 6.419 -9.406 1.00 0.00 C ATOM 1574 CG GLN A 101 2.950 7.442 -8.822 1.00 0.00 C ATOM 1575 CD GLN A 101 4.070 7.804 -9.778 1.00 0.00 C ATOM 1576 OE1 GLN A 101 4.029 8.844 -10.435 1.00 0.00 O ATOM 1577 NE2 GLN A 101 5.076 6.942 -9.862 1.00 0.00 N ATOM 0 H GLN A 101 0.793 4.564 -10.555 1.00 0.00 H new ATOM 0 HA GLN A 101 3.574 5.212 -10.223 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.574 6.813 -10.333 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.159 6.279 -8.716 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.397 8.344 -8.558 1.00 0.00 H new ATOM 0 HG3 GLN A 101 3.377 7.049 -7.900 1.00 0.00 H new ATOM 0 HE21 GLN A 101 5.068 6.092 -9.298 1.00 0.00 H new ATOM 0 HE22 GLN A 101 5.857 7.130 -10.490 1.00 0.00 H new ATOM 1586 N PHE A 102 1.902 3.881 -7.699 1.00 0.00 N ATOM 1587 CA PHE A 102 2.061 3.185 -6.424 1.00 0.00 C ATOM 1588 C PHE A 102 3.129 2.100 -6.521 1.00 0.00 C ATOM 1589 O PHE A 102 4.063 2.061 -5.719 1.00 0.00 O ATOM 1590 CB PHE A 102 0.727 2.579 -5.981 1.00 0.00 C ATOM 1591 CG PHE A 102 0.699 2.175 -4.534 1.00 0.00 C ATOM 1592 CD1 PHE A 102 1.049 3.083 -3.548 1.00 0.00 C ATOM 1593 CD2 PHE A 102 0.323 0.891 -4.157 1.00 0.00 C ATOM 1594 CE1 PHE A 102 1.026 2.724 -2.215 1.00 0.00 C ATOM 1595 CE2 PHE A 102 0.299 0.530 -2.825 1.00 0.00 C ATOM 1596 CZ PHE A 102 0.651 1.445 -1.853 1.00 0.00 C ATOM 0 H PHE A 102 0.935 3.969 -8.013 1.00 0.00 H new ATOM 0 HA PHE A 102 2.384 3.912 -5.679 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.069 3.301 -6.163 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.512 1.706 -6.597 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.344 4.084 -3.826 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.047 0.170 -4.912 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.301 3.442 -1.457 1.00 0.00 H new ATOM 0 HE2 PHE A 102 0.004 -0.470 -2.543 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.633 1.161 -0.811 1.00 0.00 H new ATOM 1606 N ALA A 103 2.992 1.226 -7.511 1.00 0.00 N ATOM 1607 CA ALA A 103 3.954 0.151 -7.715 1.00 0.00 C ATOM 1608 C ALA A 103 5.325 0.711 -8.065 1.00 0.00 C ATOM 1609 O ALA A 103 6.353 0.121 -7.733 1.00 0.00 O ATOM 1610 CB ALA A 103 3.474 -0.784 -8.812 1.00 0.00 C ATOM 0 H ALA A 103 2.225 1.241 -8.184 1.00 0.00 H new ATOM 0 HA ALA A 103 4.040 -0.411 -6.785 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.202 -1.582 -8.954 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.514 -1.215 -8.528 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.361 -0.226 -9.742 1.00 0.00 H new ATOM 1616 N ALA A 104 5.328 1.857 -8.740 1.00 0.00 N ATOM 1617 CA ALA A 104 6.569 2.513 -9.146 1.00 0.00 C ATOM 1618 C ALA A 104 7.577 2.541 -8.003 1.00 0.00 C ATOM 1619 O ALA A 104 8.635 1.908 -8.072 1.00 0.00 O ATOM 1620 CB ALA A 104 6.281 3.928 -9.624 1.00 0.00 C ATOM 0 H ALA A 104 4.481 2.353 -9.019 1.00 0.00 H new ATOM 0 HA ALA A 104 7.002 1.939 -9.965 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.213 4.407 -9.924 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.600 3.893 -10.475 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.823 4.499 -8.816 1.00 0.00 H new ATOM 1626 N GLY A 105 7.238 3.270 -6.949 1.00 0.00 N ATOM 1627 CA GLY A 105 8.121 3.363 -5.802 1.00 0.00 C ATOM 1628 C GLY A 105 8.289 2.032 -5.110 1.00 0.00 C ATOM 1629 O GLY A 105 9.407 1.615 -4.807 1.00 0.00 O ATOM 0 H GLY A 105 6.369 3.798 -6.867 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.096 3.730 -6.123 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.723 4.091 -5.096 1.00 0.00 H new ATOM 1633 N MET A 106 7.171 1.363 -4.862 1.00 0.00 N ATOM 1634 CA MET A 106 7.187 0.066 -4.203 1.00 0.00 C ATOM 1635 C MET A 106 8.206 -0.853 -4.857 1.00 0.00 C ATOM 1636 O MET A 106 9.153 -1.306 -4.216 1.00 0.00 O ATOM 1637 CB MET A 106 5.804 -0.572 -4.266 1.00 0.00 C ATOM 1638 CG MET A 106 5.767 -1.960 -3.666 1.00 0.00 C ATOM 1639 SD MET A 106 5.613 -1.929 -1.875 1.00 0.00 S ATOM 1640 CE MET A 106 5.836 -3.664 -1.532 1.00 0.00 C ATOM 0 H MET A 106 6.240 1.699 -5.108 1.00 0.00 H new ATOM 0 HA MET A 106 7.467 0.215 -3.160 1.00 0.00 H new ATOM 0 HB2 MET A 106 5.092 0.064 -3.741 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.480 -0.622 -5.305 1.00 0.00 H new ATOM 0 HG2 MET A 106 4.930 -2.514 -4.090 1.00 0.00 H new ATOM 0 HG3 MET A 106 6.676 -2.496 -3.941 1.00 0.00 H new ATOM 0 HE1 MET A 106 5.024 -4.016 -0.896 1.00 0.00 H new ATOM 0 HE2 MET A 106 5.832 -4.223 -2.468 1.00 0.00 H new ATOM 0 HE3 MET A 106 6.788 -3.815 -1.023 1.00 0.00 H new ATOM 1650 N ALA A 107 8.001 -1.120 -6.141 1.00 0.00 N ATOM 1651 CA ALA A 107 8.901 -1.978 -6.903 1.00 0.00 C ATOM 1652 C ALA A 107 10.352 -1.619 -6.606 1.00 0.00 C ATOM 1653 O ALA A 107 11.212 -2.493 -6.501 1.00 0.00 O ATOM 1654 CB ALA A 107 8.616 -1.857 -8.392 1.00 0.00 C ATOM 0 H ALA A 107 7.216 -0.753 -6.679 1.00 0.00 H new ATOM 0 HA ALA A 107 8.732 -3.012 -6.603 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.296 -2.504 -8.946 1.00 0.00 H new ATOM 0 HB2 ALA A 107 7.587 -2.157 -8.591 1.00 0.00 H new ATOM 0 HB3 ALA A 107 8.760 -0.824 -8.707 1.00 0.00 H new ATOM 1660 N SER A 108 10.607 -0.323 -6.448 1.00 0.00 N ATOM 1661 CA SER A 108 11.945 0.155 -6.137 1.00 0.00 C ATOM 1662 C SER A 108 12.357 -0.318 -4.747 1.00 0.00 C ATOM 1663 O SER A 108 13.511 -0.677 -4.517 1.00 0.00 O ATOM 1664 CB SER A 108 11.999 1.682 -6.209 1.00 0.00 C ATOM 1665 OG SER A 108 13.274 2.129 -6.637 1.00 0.00 O ATOM 0 H SER A 108 9.904 0.411 -6.531 1.00 0.00 H new ATOM 0 HA SER A 108 12.639 -0.251 -6.872 1.00 0.00 H new ATOM 0 HB2 SER A 108 11.234 2.044 -6.896 1.00 0.00 H new ATOM 0 HB3 SER A 108 11.773 2.103 -5.230 1.00 0.00 H new ATOM 0 HG SER A 108 13.281 3.108 -6.676 1.00 0.00 H new ATOM 1671 N ALA A 109 11.395 -0.327 -3.825 1.00 0.00 N ATOM 1672 CA ALA A 109 11.651 -0.771 -2.459 1.00 0.00 C ATOM 1673 C ALA A 109 12.004 -2.251 -2.427 1.00 0.00 C ATOM 1674 O ALA A 109 13.036 -2.640 -1.887 1.00 0.00 O ATOM 1675 CB ALA A 109 10.441 -0.502 -1.572 1.00 0.00 C ATOM 0 H ALA A 109 10.434 -0.032 -4.000 1.00 0.00 H new ATOM 0 HA ALA A 109 12.500 -0.205 -2.075 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.651 -0.840 -0.557 1.00 0.00 H new ATOM 0 HB2 ALA A 109 10.228 0.567 -1.562 1.00 0.00 H new ATOM 0 HB3 ALA A 109 9.577 -1.040 -1.962 1.00 0.00 H new ATOM 1681 N LEU A 110 11.138 -3.068 -3.014 1.00 0.00 N ATOM 1682 CA LEU A 110 11.348 -4.511 -3.058 1.00 0.00 C ATOM 1683 C LEU A 110 12.599 -4.864 -3.860 1.00 0.00 C ATOM 1684 O LEU A 110 13.099 -5.986 -3.785 1.00 0.00 O ATOM 1685 CB LEU A 110 10.128 -5.207 -3.669 1.00 0.00 C ATOM 1686 CG LEU A 110 8.768 -4.662 -3.217 1.00 0.00 C ATOM 1687 CD1 LEU A 110 7.657 -5.182 -4.118 1.00 0.00 C ATOM 1688 CD2 LEU A 110 8.501 -5.033 -1.764 1.00 0.00 C ATOM 0 H LEU A 110 10.280 -2.755 -3.468 1.00 0.00 H new ATOM 0 HA LEU A 110 11.487 -4.859 -2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.190 -5.127 -4.754 1.00 0.00 H new ATOM 0 HB3 LEU A 110 10.175 -6.268 -3.424 1.00 0.00 H new ATOM 0 HG LEU A 110 8.789 -3.575 -3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 110 6.700 -4.784 -3.781 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.842 -4.864 -5.144 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.633 -6.271 -4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.532 -4.638 -1.460 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.500 -6.118 -1.660 1.00 0.00 H new ATOM 0 HD23 LEU A 110 9.280 -4.609 -1.131 1.00 0.00 H new ATOM 1700 N GLU A 111 13.093 -3.903 -4.634 1.00 0.00 N ATOM 1701 CA GLU A 111 14.276 -4.114 -5.457 1.00 0.00 C ATOM 1702 C GLU A 111 15.547 -3.701 -4.726 1.00 0.00 C ATOM 1703 O GLU A 111 16.628 -4.230 -4.987 1.00 0.00 O ATOM 1704 CB GLU A 111 14.147 -3.318 -6.749 1.00 0.00 C ATOM 1705 CG GLU A 111 13.468 -4.095 -7.855 1.00 0.00 C ATOM 1706 CD GLU A 111 13.648 -3.457 -9.220 1.00 0.00 C ATOM 1707 OE1 GLU A 111 14.803 -3.371 -9.686 1.00 0.00 O ATOM 1708 OE2 GLU A 111 12.634 -3.045 -9.820 1.00 0.00 O ATOM 0 H GLU A 111 12.690 -2.969 -4.708 1.00 0.00 H new ATOM 0 HA GLU A 111 14.347 -5.179 -5.680 1.00 0.00 H new ATOM 0 HB2 GLU A 111 13.582 -2.406 -6.553 1.00 0.00 H new ATOM 0 HB3 GLU A 111 15.139 -3.013 -7.082 1.00 0.00 H new ATOM 0 HG2 GLU A 111 13.867 -5.109 -7.878 1.00 0.00 H new ATOM 0 HG3 GLU A 111 12.404 -4.176 -7.635 1.00 0.00 H new ATOM 1715 N ALA A 112 15.405 -2.765 -3.801 1.00 0.00 N ATOM 1716 CA ALA A 112 16.538 -2.284 -3.020 1.00 0.00 C ATOM 1717 C ALA A 112 16.567 -2.964 -1.663 1.00 0.00 C ATOM 1718 O ALA A 112 17.425 -2.682 -0.827 1.00 0.00 O ATOM 1719 CB ALA A 112 16.468 -0.774 -2.854 1.00 0.00 C ATOM 0 H ALA A 112 14.516 -2.322 -3.571 1.00 0.00 H new ATOM 0 HA ALA A 112 17.456 -2.530 -3.554 1.00 0.00 H new ATOM 0 HB1 ALA A 112 17.322 -0.432 -2.268 1.00 0.00 H new ATOM 0 HB2 ALA A 112 16.487 -0.299 -3.835 1.00 0.00 H new ATOM 0 HB3 ALA A 112 15.545 -0.507 -2.340 1.00 0.00 H new ATOM 1725 N LEU A 113 15.613 -3.860 -1.454 1.00 0.00 N ATOM 1726 CA LEU A 113 15.504 -4.586 -0.206 1.00 0.00 C ATOM 1727 C LEU A 113 15.793 -6.067 -0.428 1.00 0.00 C ATOM 1728 O LEU A 113 16.414 -6.723 0.408 1.00 0.00 O ATOM 1729 CB LEU A 113 14.101 -4.385 0.365 1.00 0.00 C ATOM 1730 CG LEU A 113 14.034 -3.659 1.713 1.00 0.00 C ATOM 1731 CD1 LEU A 113 14.377 -4.608 2.851 1.00 0.00 C ATOM 1732 CD2 LEU A 113 14.966 -2.454 1.722 1.00 0.00 C ATOM 0 H LEU A 113 14.899 -4.100 -2.142 1.00 0.00 H new ATOM 0 HA LEU A 113 16.237 -4.207 0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 113 13.510 -3.825 -0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 113 13.629 -5.361 0.474 1.00 0.00 H new ATOM 0 HG LEU A 113 13.014 -3.304 1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 113 14.324 -4.073 3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 113 13.668 -5.436 2.861 1.00 0.00 H new ATOM 0 HD13 LEU A 113 15.386 -4.996 2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 113 14.903 -1.953 2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 113 15.990 -2.785 1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 113 14.672 -1.761 0.934 1.00 0.00 H new ATOM 1744 N GLU A 114 15.345 -6.581 -1.569 1.00 0.00 N ATOM 1745 CA GLU A 114 15.558 -7.979 -1.917 1.00 0.00 C ATOM 1746 C GLU A 114 16.805 -8.139 -2.781 1.00 0.00 C ATOM 1747 O GLU A 114 17.461 -9.180 -2.754 1.00 0.00 O ATOM 1748 CB GLU A 114 14.339 -8.534 -2.656 1.00 0.00 C ATOM 1749 CG GLU A 114 13.056 -8.479 -1.842 1.00 0.00 C ATOM 1750 CD GLU A 114 11.949 -9.326 -2.440 1.00 0.00 C ATOM 1751 OE1 GLU A 114 11.865 -9.402 -3.683 1.00 0.00 O ATOM 1752 OE2 GLU A 114 11.166 -9.912 -1.664 1.00 0.00 O ATOM 0 H GLU A 114 14.831 -6.047 -2.270 1.00 0.00 H new ATOM 0 HA GLU A 114 15.701 -8.540 -0.993 1.00 0.00 H new ATOM 0 HB2 GLU A 114 14.198 -7.972 -3.579 1.00 0.00 H new ATOM 0 HB3 GLU A 114 14.536 -9.568 -2.939 1.00 0.00 H new ATOM 0 HG2 GLU A 114 13.260 -8.818 -0.826 1.00 0.00 H new ATOM 0 HG3 GLU A 114 12.719 -7.445 -1.771 1.00 0.00 H new ATOM 1759 N GLY A 115 17.131 -7.099 -3.547 1.00 0.00 N ATOM 1760 CA GLY A 115 18.300 -7.150 -4.405 1.00 0.00 C ATOM 1761 C GLY A 115 19.597 -7.069 -3.624 1.00 0.00 C ATOM 1762 O GLY A 115 20.656 -7.408 -4.194 1.00 0.00 O ATOM 1763 OXT GLY A 115 19.555 -6.666 -2.442 1.00 0.00 O ATOM 0 H GLY A 115 16.607 -6.225 -3.587 1.00 0.00 H new ATOM 0 HA2 GLY A 115 18.284 -8.075 -4.981 1.00 0.00 H new ATOM 0 HA3 GLY A 115 18.258 -6.328 -5.120 1.00 0.00 H new