USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 811 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 31 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 78 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 82 THR OG1 : rot 180:sc=-0.00638 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 61:sc= 0.396 USER MOD Single : A 17 GLN : amide:sc= -0.301 X(o=-0.3,f=-0.5) USER MOD Single : A 22 HIS : no HD1:sc= -2.3! C(o=-2.3!,f=-2.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -1.67 K(o=-1.7,f=-2.6!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -170:sc=-0.000778 (180deg=-0.0884) USER MOD Single : A 44 MET CE :methyl -177:sc= -2.16 (180deg=-2.23!) USER MOD Single : A 50 ASN : amide:sc= -0.0557 X(o=-0.056,f=-0.44) USER MOD Single : A 52 GLN : amide:sc= 0.708 K(o=0.71,f=-0.59) USER MOD Single : A 58 LYS NZ :NH3+ 159:sc= -0.0314 (180deg=-0.283) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 73 LYS NZ :NH3+ -164:sc= -0.0343 (180deg=-0.557) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 115:sc= 0.402 USER MOD Single : A 80 SER OG : rot 180:sc= -0.828 USER MOD Single : A 81 TYR OH : rot 180:sc= -0.0523 USER MOD Single : A 84 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.105) USER MOD Single : A 89 TYR OH : rot 15:sc= 1.19 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 180:sc= -1.32 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -0.936 K(o=-0.94,f=0.013) USER MOD Single : A 101 GLN : amide:sc= -2.64! C(o=-2.6!,f=-5.5!) USER MOD Single : A 103 SER OG : rot -99:sc= -1.51 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 1.633 22.175 4.001 1.00 0.00 N ATOM 67 CA GLU A 8 2.276 20.872 4.125 1.00 0.00 C ATOM 68 C GLU A 8 1.395 19.773 3.540 1.00 0.00 C ATOM 69 O GLU A 8 0.305 20.038 3.034 1.00 0.00 O ATOM 70 CB GLU A 8 2.583 20.568 5.593 1.00 0.00 C ATOM 71 CG GLU A 8 1.343 20.462 6.465 1.00 0.00 C ATOM 72 CD GLU A 8 1.664 20.044 7.887 1.00 0.00 C ATOM 73 OE1 GLU A 8 2.287 20.844 8.615 1.00 0.00 O ATOM 74 OE2 GLU A 8 1.291 18.916 8.272 1.00 0.00 O ATOM 0 HA GLU A 8 3.210 20.901 3.564 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.140 19.633 5.653 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.230 21.350 5.990 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.831 21.424 6.480 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.654 19.741 6.025 1.00 0.00 H new ATOM 81 N VAL A 9 1.877 18.535 3.612 1.00 0.00 N ATOM 82 CA VAL A 9 1.134 17.394 3.091 1.00 0.00 C ATOM 83 C VAL A 9 0.322 16.718 4.190 1.00 0.00 C ATOM 84 O VAL A 9 0.782 16.589 5.325 1.00 0.00 O ATOM 85 CB VAL A 9 2.075 16.357 2.450 1.00 0.00 C ATOM 86 CG1 VAL A 9 2.962 15.716 3.507 1.00 0.00 C ATOM 87 CG2 VAL A 9 1.275 15.302 1.702 1.00 0.00 C ATOM 0 H VAL A 9 2.778 18.298 4.026 1.00 0.00 H new ATOM 0 HA VAL A 9 0.457 17.779 2.329 1.00 0.00 H new ATOM 0 HB VAL A 9 2.717 16.869 1.733 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.620 14.986 3.036 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.562 16.485 3.993 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.340 15.217 4.250 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.956 14.578 1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.607 14.792 2.396 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.688 15.779 0.917 1.00 0.00 H new ATOM 97 N ASP A 10 -0.886 16.286 3.845 1.00 0.00 N ATOM 98 CA ASP A 10 -1.762 15.620 4.802 1.00 0.00 C ATOM 99 C ASP A 10 -2.119 14.216 4.326 1.00 0.00 C ATOM 100 O ASP A 10 -2.457 13.995 3.163 1.00 0.00 O ATOM 101 CB ASP A 10 -3.036 16.439 5.015 1.00 0.00 C ATOM 102 CG ASP A 10 -3.611 16.264 6.406 1.00 0.00 C ATOM 103 OD1 ASP A 10 -2.833 16.319 7.382 1.00 0.00 O ATOM 104 OD2 ASP A 10 -4.840 16.071 6.520 1.00 0.00 O ATOM 0 H ASP A 10 -1.281 16.385 2.910 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.229 15.538 5.749 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.819 17.494 4.845 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.782 16.144 4.277 1.00 0.00 H new ATOM 109 N PRO A 11 -2.041 13.242 5.245 1.00 0.00 N ATOM 110 CA PRO A 11 -2.351 11.841 4.943 1.00 0.00 C ATOM 111 C PRO A 11 -3.839 11.619 4.690 1.00 0.00 C ATOM 112 O PRO A 11 -4.224 11.020 3.687 1.00 0.00 O ATOM 113 CB PRO A 11 -1.906 11.099 6.205 1.00 0.00 C ATOM 114 CG PRO A 11 -1.986 12.116 7.291 1.00 0.00 C ATOM 115 CD PRO A 11 -1.644 13.433 6.650 1.00 0.00 C ATOM 0 HA PRO A 11 -1.854 11.500 4.035 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.553 10.247 6.412 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.893 10.711 6.100 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.984 12.142 7.728 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.291 11.882 8.097 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.186 14.258 7.112 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.582 13.660 6.740 1.00 0.00 H new ATOM 123 N ALA A 12 -4.669 12.105 5.607 1.00 0.00 N ATOM 124 CA ALA A 12 -6.114 11.961 5.481 1.00 0.00 C ATOM 125 C ALA A 12 -6.587 12.366 4.090 1.00 0.00 C ATOM 126 O ALA A 12 -7.605 11.875 3.601 1.00 0.00 O ATOM 127 CB ALA A 12 -6.821 12.790 6.544 1.00 0.00 C ATOM 0 H ALA A 12 -4.366 12.602 6.445 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.364 10.910 5.629 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.900 12.673 6.439 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.514 12.451 7.533 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.556 13.840 6.422 1.00 0.00 H new ATOM 133 N LYS A 13 -5.844 13.266 3.455 1.00 0.00 N ATOM 134 CA LYS A 13 -6.186 13.738 2.119 1.00 0.00 C ATOM 135 C LYS A 13 -5.560 12.848 1.051 1.00 0.00 C ATOM 136 O LYS A 13 -6.093 12.715 -0.052 1.00 0.00 O ATOM 137 CB LYS A 13 -5.720 15.183 1.931 1.00 0.00 C ATOM 138 CG LYS A 13 -6.223 16.130 3.007 1.00 0.00 C ATOM 139 CD LYS A 13 -7.565 16.737 2.634 1.00 0.00 C ATOM 140 CE LYS A 13 -8.721 15.891 3.145 1.00 0.00 C ATOM 141 NZ LYS A 13 -9.149 16.304 4.510 1.00 0.00 N ATOM 0 H LYS A 13 -4.999 13.684 3.845 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.270 13.696 2.013 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.630 15.206 1.919 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.057 15.541 0.958 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.316 15.593 3.951 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.494 16.925 3.163 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.638 17.743 3.048 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.634 16.832 1.550 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.564 15.975 2.459 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.425 14.842 3.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.939 15.704 4.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.352 16.200 5.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.456 17.298 4.492 1.00 0.00 H new ATOM 155 N CYS A 14 -4.427 12.239 1.384 1.00 0.00 N ATOM 156 CA CYS A 14 -3.728 11.360 0.453 1.00 0.00 C ATOM 157 C CYS A 14 -4.670 10.296 -0.101 1.00 0.00 C ATOM 158 O CYS A 14 -5.751 10.066 0.441 1.00 0.00 O ATOM 159 CB CYS A 14 -2.537 10.695 1.143 1.00 0.00 C ATOM 160 SG CYS A 14 -1.123 11.793 1.396 1.00 0.00 S ATOM 0 H CYS A 14 -3.973 12.338 2.292 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.365 11.966 -0.377 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.860 10.308 2.109 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.217 9.840 0.548 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.479 12.793 2.146 1.00 0.00 H new ATOM 166 N VAL A 15 -4.253 9.650 -1.186 1.00 0.00 N ATOM 167 CA VAL A 15 -5.059 8.611 -1.814 1.00 0.00 C ATOM 168 C VAL A 15 -4.178 7.550 -2.464 1.00 0.00 C ATOM 169 O VAL A 15 -2.950 7.624 -2.403 1.00 0.00 O ATOM 170 CB VAL A 15 -6.004 9.200 -2.878 1.00 0.00 C ATOM 171 CG1 VAL A 15 -7.292 9.693 -2.234 1.00 0.00 C ATOM 172 CG2 VAL A 15 -5.316 10.322 -3.640 1.00 0.00 C ATOM 0 H VAL A 15 -3.361 9.829 -1.648 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.654 8.152 -1.025 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.259 8.413 -3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.947 10.106 -3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.792 8.861 -1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.060 10.466 -1.501 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.999 10.726 -4.387 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.030 11.112 -2.945 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.426 9.933 -4.134 1.00 0.00 H new ATOM 182 N LEU A 16 -4.812 6.563 -3.087 1.00 0.00 N ATOM 183 CA LEU A 16 -4.086 5.485 -3.750 1.00 0.00 C ATOM 184 C LEU A 16 -4.633 5.243 -5.154 1.00 0.00 C ATOM 185 O LEU A 16 -5.777 5.587 -5.451 1.00 0.00 O ATOM 186 CB LEU A 16 -4.178 4.199 -2.926 1.00 0.00 C ATOM 187 CG LEU A 16 -3.812 4.323 -1.447 1.00 0.00 C ATOM 188 CD1 LEU A 16 -4.541 3.270 -0.627 1.00 0.00 C ATOM 189 CD2 LEU A 16 -2.307 4.201 -1.258 1.00 0.00 C ATOM 0 H LEU A 16 -5.827 6.487 -3.147 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.041 5.782 -3.833 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.197 3.818 -2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.526 3.453 -3.380 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.123 5.307 -1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.268 3.374 0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.617 3.404 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.261 2.277 -0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.065 4.292 -0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.972 3.231 -1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.805 4.993 -1.814 1.00 0.00 H new ATOM 201 N GLN A 17 -3.809 4.648 -6.010 1.00 0.00 N ATOM 202 CA GLN A 17 -4.212 4.359 -7.381 1.00 0.00 C ATOM 203 C GLN A 17 -3.814 2.941 -7.778 1.00 0.00 C ATOM 204 O GLN A 17 -2.680 2.518 -7.556 1.00 0.00 O ATOM 205 CB GLN A 17 -3.580 5.366 -8.344 1.00 0.00 C ATOM 206 CG GLN A 17 -4.252 6.730 -8.324 1.00 0.00 C ATOM 207 CD GLN A 17 -4.055 7.495 -9.618 1.00 0.00 C ATOM 208 OE1 GLN A 17 -3.028 7.359 -10.283 1.00 0.00 O ATOM 209 NE2 GLN A 17 -5.041 8.307 -9.982 1.00 0.00 N ATOM 0 H GLN A 17 -2.859 4.357 -5.779 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.297 4.443 -7.439 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.526 5.485 -8.092 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.622 4.964 -9.356 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.319 6.603 -8.140 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.853 7.315 -7.496 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.875 8.389 -9.400 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.964 8.848 -10.843 1.00 0.00 H new ATOM 218 N GLY A 18 -4.756 2.210 -8.366 1.00 0.00 N ATOM 219 CA GLY A 18 -4.485 0.847 -8.783 1.00 0.00 C ATOM 220 C GLY A 18 -5.726 -0.023 -8.765 1.00 0.00 C ATOM 221 O GLY A 18 -6.541 0.067 -7.848 1.00 0.00 O ATOM 0 H GLY A 18 -5.702 2.538 -8.561 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.065 0.855 -9.789 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.731 0.413 -8.126 1.00 0.00 H new ATOM 225 N GLU A 19 -5.871 -0.866 -9.783 1.00 0.00 N ATOM 226 CA GLU A 19 -7.024 -1.753 -9.881 1.00 0.00 C ATOM 227 C GLU A 19 -6.795 -3.033 -9.081 1.00 0.00 C ATOM 228 O GLU A 19 -5.687 -3.568 -9.049 1.00 0.00 O ATOM 229 CB GLU A 19 -7.308 -2.098 -11.345 1.00 0.00 C ATOM 230 CG GLU A 19 -6.197 -2.892 -12.010 1.00 0.00 C ATOM 231 CD GLU A 19 -5.087 -2.008 -12.544 1.00 0.00 C ATOM 232 OE1 GLU A 19 -5.361 -1.190 -13.447 1.00 0.00 O ATOM 233 OE2 GLU A 19 -3.943 -2.134 -12.058 1.00 0.00 O ATOM 0 H GLU A 19 -5.205 -0.953 -10.551 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.886 -1.233 -9.464 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.235 -2.669 -11.402 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.467 -1.175 -11.903 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.780 -3.598 -11.292 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.615 -3.479 -12.828 1.00 0.00 H new ATOM 240 N ASP A 20 -7.851 -3.517 -8.437 1.00 0.00 N ATOM 241 CA ASP A 20 -7.767 -4.734 -7.638 1.00 0.00 C ATOM 242 C ASP A 20 -6.794 -4.555 -6.476 1.00 0.00 C ATOM 243 O ASP A 20 -5.994 -5.443 -6.180 1.00 0.00 O ATOM 244 CB ASP A 20 -7.330 -5.913 -8.508 1.00 0.00 C ATOM 245 CG ASP A 20 -8.314 -6.205 -9.624 1.00 0.00 C ATOM 246 OD1 ASP A 20 -9.535 -6.156 -9.366 1.00 0.00 O ATOM 247 OD2 ASP A 20 -7.864 -6.485 -10.755 1.00 0.00 O ATOM 0 H ASP A 20 -8.775 -3.085 -8.453 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.757 -4.941 -7.231 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.351 -5.701 -8.937 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.219 -6.800 -7.884 1.00 0.00 H new ATOM 252 N LEU A 21 -6.867 -3.400 -5.823 1.00 0.00 N ATOM 253 CA LEU A 21 -5.992 -3.104 -4.694 1.00 0.00 C ATOM 254 C LEU A 21 -6.342 -3.973 -3.491 1.00 0.00 C ATOM 255 O LEU A 21 -5.471 -4.336 -2.700 1.00 0.00 O ATOM 256 CB LEU A 21 -6.097 -1.625 -4.317 1.00 0.00 C ATOM 257 CG LEU A 21 -5.120 -0.682 -5.021 1.00 0.00 C ATOM 258 CD1 LEU A 21 -5.537 0.767 -4.817 1.00 0.00 C ATOM 259 CD2 LEU A 21 -3.703 -0.908 -4.515 1.00 0.00 C ATOM 0 H LEU A 21 -7.522 -2.654 -6.056 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.967 -3.325 -4.992 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.112 -1.288 -4.528 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.948 -1.533 -3.241 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.141 -0.898 -6.089 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.831 1.424 -5.325 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.535 0.920 -5.228 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.545 0.997 -3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.021 -0.229 -5.027 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.665 -0.720 -3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.406 -1.938 -4.713 1.00 0.00 H new ATOM 271 N HIS A 22 -7.622 -4.306 -3.360 1.00 0.00 N ATOM 272 CA HIS A 22 -8.087 -5.135 -2.254 1.00 0.00 C ATOM 273 C HIS A 22 -8.022 -6.615 -2.620 1.00 0.00 C ATOM 274 O HIS A 22 -8.743 -7.437 -2.054 1.00 0.00 O ATOM 275 CB HIS A 22 -9.517 -4.755 -1.869 1.00 0.00 C ATOM 276 CG HIS A 22 -9.592 -3.664 -0.846 1.00 0.00 C ATOM 277 ND1 HIS A 22 -10.105 -3.854 0.420 1.00 0.00 N ATOM 278 CD2 HIS A 22 -9.215 -2.366 -0.907 1.00 0.00 C ATOM 279 CE1 HIS A 22 -10.040 -2.719 1.093 1.00 0.00 C ATOM 280 NE2 HIS A 22 -9.504 -1.800 0.310 1.00 0.00 N ATOM 0 H HIS A 22 -8.356 -4.014 -4.006 1.00 0.00 H new ATOM 0 HA HIS A 22 -7.431 -4.960 -1.401 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -10.054 -4.440 -2.764 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.028 -5.638 -1.485 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.770 -1.868 -1.755 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.369 -2.568 2.110 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -9.333 -0.828 0.568 1.00 0.00 H new ATOM 289 N ARG A 23 -7.156 -6.947 -3.572 1.00 0.00 N ATOM 290 CA ARG A 23 -6.999 -8.327 -4.015 1.00 0.00 C ATOM 291 C ARG A 23 -5.622 -8.545 -4.637 1.00 0.00 C ATOM 292 O ARG A 23 -5.059 -7.642 -5.255 1.00 0.00 O ATOM 293 CB ARG A 23 -8.090 -8.687 -5.025 1.00 0.00 C ATOM 294 CG ARG A 23 -8.491 -10.153 -4.991 1.00 0.00 C ATOM 295 CD ARG A 23 -8.979 -10.629 -6.350 1.00 0.00 C ATOM 296 NE ARG A 23 -10.404 -10.369 -6.541 1.00 0.00 N ATOM 297 CZ ARG A 23 -11.364 -11.145 -6.052 1.00 0.00 C ATOM 298 NH1 ARG A 23 -11.054 -12.223 -5.345 1.00 0.00 N ATOM 299 NH2 ARG A 23 -12.638 -10.843 -6.268 1.00 0.00 N ATOM 0 H ARG A 23 -6.552 -6.279 -4.051 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.091 -8.975 -3.144 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.970 -8.074 -4.831 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.742 -8.437 -6.027 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.640 -10.757 -4.677 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.276 -10.299 -4.250 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.411 -10.129 -7.135 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.789 -11.698 -6.450 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.676 -9.547 -7.079 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.076 -12.458 -5.176 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.794 -12.817 -4.971 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.881 -10.014 -6.810 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.375 -11.440 -5.892 1.00 0.00 H new ATOM 313 N ALA A 24 -5.087 -9.749 -4.468 1.00 0.00 N ATOM 314 CA ALA A 24 -3.778 -10.087 -5.013 1.00 0.00 C ATOM 315 C ALA A 24 -3.693 -11.569 -5.360 1.00 0.00 C ATOM 316 O ALA A 24 -4.546 -12.360 -4.956 1.00 0.00 O ATOM 317 CB ALA A 24 -2.682 -9.709 -4.028 1.00 0.00 C ATOM 0 H ALA A 24 -5.540 -10.507 -3.958 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.637 -9.518 -5.932 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.710 -9.967 -4.448 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.720 -8.637 -3.835 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.829 -10.252 -3.094 1.00 0.00 H new ATOM 323 N ARG A 25 -2.660 -11.939 -6.109 1.00 0.00 N ATOM 324 CA ARG A 25 -2.465 -13.327 -6.511 1.00 0.00 C ATOM 325 C ARG A 25 -1.166 -13.883 -5.935 1.00 0.00 C ATOM 326 O ARG A 25 -0.119 -13.241 -6.008 1.00 0.00 O ATOM 327 CB ARG A 25 -2.448 -13.441 -8.037 1.00 0.00 C ATOM 328 CG ARG A 25 -1.808 -14.722 -8.545 1.00 0.00 C ATOM 329 CD ARG A 25 -1.900 -14.829 -10.059 1.00 0.00 C ATOM 330 NE ARG A 25 -0.832 -14.090 -10.726 1.00 0.00 N ATOM 331 CZ ARG A 25 -0.885 -13.708 -11.997 1.00 0.00 C ATOM 332 NH1 ARG A 25 -1.950 -13.994 -12.735 1.00 0.00 N ATOM 333 NH2 ARG A 25 0.127 -13.039 -12.533 1.00 0.00 N ATOM 0 H ARG A 25 -1.945 -11.297 -6.450 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.296 -13.912 -6.118 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.471 -13.384 -8.408 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.911 -12.588 -8.451 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.762 -14.753 -8.240 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.299 -15.581 -8.088 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.852 -15.878 -10.352 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.866 -14.449 -10.391 1.00 0.00 H new ATOM 0 HE ARG A 25 0.001 -13.854 -10.186 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.730 -14.508 -12.326 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.988 -13.700 -13.711 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.947 -12.817 -11.969 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.085 -12.746 -13.509 1.00 0.00 H new ATOM 347 N GLU A 26 -1.244 -15.080 -5.361 1.00 0.00 N ATOM 348 CA GLU A 26 -0.075 -15.720 -4.771 1.00 0.00 C ATOM 349 C GLU A 26 1.133 -15.608 -5.697 1.00 0.00 C ATOM 350 O GLU A 26 1.028 -15.830 -6.903 1.00 0.00 O ATOM 351 CB GLU A 26 -0.368 -17.192 -4.473 1.00 0.00 C ATOM 352 CG GLU A 26 0.882 -18.044 -4.327 1.00 0.00 C ATOM 353 CD GLU A 26 0.629 -19.323 -3.553 1.00 0.00 C ATOM 354 OE1 GLU A 26 -0.513 -19.828 -3.599 1.00 0.00 O ATOM 355 OE2 GLU A 26 1.571 -19.818 -2.900 1.00 0.00 O ATOM 0 H GLU A 26 -2.104 -15.625 -5.292 1.00 0.00 H new ATOM 0 HA GLU A 26 0.156 -15.206 -3.838 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.952 -17.259 -3.555 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.984 -17.600 -5.274 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.265 -18.292 -5.317 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.655 -17.465 -3.822 1.00 0.00 H new ATOM 362 N LYS A 27 2.280 -15.261 -5.124 1.00 0.00 N ATOM 363 CA LYS A 27 3.509 -15.119 -5.896 1.00 0.00 C ATOM 364 C LYS A 27 3.318 -14.139 -7.048 1.00 0.00 C ATOM 365 O LYS A 27 3.802 -14.368 -8.156 1.00 0.00 O ATOM 366 CB LYS A 27 3.955 -16.479 -6.438 1.00 0.00 C ATOM 367 CG LYS A 27 4.594 -17.373 -5.389 1.00 0.00 C ATOM 368 CD LYS A 27 5.431 -18.469 -6.025 1.00 0.00 C ATOM 369 CE LYS A 27 6.770 -17.936 -6.512 1.00 0.00 C ATOM 370 NZ LYS A 27 7.410 -18.856 -7.492 1.00 0.00 N ATOM 0 H LYS A 27 2.384 -15.073 -4.127 1.00 0.00 H new ATOM 0 HA LYS A 27 4.281 -14.727 -5.234 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.092 -16.992 -6.863 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.665 -16.322 -7.250 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.220 -16.772 -4.730 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.817 -17.821 -4.769 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.597 -19.267 -5.302 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.886 -18.905 -6.862 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.626 -16.958 -6.972 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.435 -17.793 -5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.320 -18.457 -7.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.571 -19.781 -7.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.787 -18.973 -8.316 1.00 0.00 H new ATOM 384 N GLN A 28 2.612 -13.046 -6.778 1.00 0.00 N ATOM 385 CA GLN A 28 2.358 -12.030 -7.793 1.00 0.00 C ATOM 386 C GLN A 28 2.892 -10.672 -7.349 1.00 0.00 C ATOM 387 O GLN A 28 2.943 -10.372 -6.156 1.00 0.00 O ATOM 388 CB GLN A 28 0.860 -11.933 -8.084 1.00 0.00 C ATOM 389 CG GLN A 28 0.534 -11.139 -9.339 1.00 0.00 C ATOM 390 CD GLN A 28 -0.807 -10.438 -9.255 1.00 0.00 C ATOM 391 OE1 GLN A 28 -1.797 -10.895 -9.826 1.00 0.00 O ATOM 392 NE2 GLN A 28 -0.847 -9.320 -8.539 1.00 0.00 N ATOM 0 H GLN A 28 2.206 -12.841 -5.865 1.00 0.00 H new ATOM 0 HA GLN A 28 2.879 -12.324 -8.704 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.452 -12.939 -8.184 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.362 -11.470 -7.232 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.316 -10.399 -9.509 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.536 -11.809 -10.199 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.002 -8.977 -8.082 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.722 -8.805 -8.446 1.00 0.00 H new ATOM 401 N THR A 29 3.289 -9.852 -8.318 1.00 0.00 N ATOM 402 CA THR A 29 3.820 -8.527 -8.027 1.00 0.00 C ATOM 403 C THR A 29 2.737 -7.461 -8.152 1.00 0.00 C ATOM 404 O THR A 29 2.321 -7.112 -9.256 1.00 0.00 O ATOM 405 CB THR A 29 4.986 -8.170 -8.969 1.00 0.00 C ATOM 406 OG1 THR A 29 5.921 -9.253 -9.024 1.00 0.00 O ATOM 407 CG2 THR A 29 5.693 -6.907 -8.501 1.00 0.00 C ATOM 0 H THR A 29 3.252 -10.083 -9.311 1.00 0.00 H new ATOM 0 HA THR A 29 4.186 -8.551 -7.000 1.00 0.00 H new ATOM 0 HB THR A 29 4.578 -7.992 -9.964 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.658 -9.019 -9.626 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.512 -6.675 -9.182 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.986 -6.078 -8.488 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.088 -7.062 -7.497 1.00 0.00 H new ATOM 415 N ALA A 30 2.285 -6.948 -7.012 1.00 0.00 N ATOM 416 CA ALA A 30 1.252 -5.920 -6.994 1.00 0.00 C ATOM 417 C ALA A 30 1.834 -4.563 -6.614 1.00 0.00 C ATOM 418 O ALA A 30 2.370 -4.391 -5.519 1.00 0.00 O ATOM 419 CB ALA A 30 0.139 -6.307 -6.031 1.00 0.00 C ATOM 0 H ALA A 30 2.618 -7.228 -6.089 1.00 0.00 H new ATOM 0 HA ALA A 30 0.837 -5.840 -7.999 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.626 -5.530 -6.028 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.304 -7.251 -6.348 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.549 -6.417 -5.027 1.00 0.00 H new ATOM 425 N SER A 31 1.728 -3.602 -7.526 1.00 0.00 N ATOM 426 CA SER A 31 2.248 -2.261 -7.287 1.00 0.00 C ATOM 427 C SER A 31 1.157 -1.212 -7.483 1.00 0.00 C ATOM 428 O SER A 31 0.293 -1.353 -8.348 1.00 0.00 O ATOM 429 CB SER A 31 3.422 -1.972 -8.225 1.00 0.00 C ATOM 430 OG SER A 31 3.013 -2.010 -9.581 1.00 0.00 O ATOM 0 H SER A 31 1.287 -3.727 -8.437 1.00 0.00 H new ATOM 0 HA SER A 31 2.595 -2.211 -6.255 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.842 -0.993 -7.996 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.212 -2.704 -8.060 1.00 0.00 H new ATOM 0 HG SER A 31 3.781 -1.820 -10.160 1.00 0.00 H new ATOM 436 N PHE A 32 1.205 -0.160 -6.672 1.00 0.00 N ATOM 437 CA PHE A 32 0.221 0.913 -6.754 1.00 0.00 C ATOM 438 C PHE A 32 0.882 2.273 -6.549 1.00 0.00 C ATOM 439 O PHE A 32 1.984 2.367 -6.009 1.00 0.00 O ATOM 440 CB PHE A 32 -0.879 0.706 -5.711 1.00 0.00 C ATOM 441 CG PHE A 32 -0.353 0.375 -4.343 1.00 0.00 C ATOM 442 CD1 PHE A 32 0.073 -0.909 -4.043 1.00 0.00 C ATOM 443 CD2 PHE A 32 -0.287 1.347 -3.358 1.00 0.00 C ATOM 444 CE1 PHE A 32 0.558 -1.217 -2.785 1.00 0.00 C ATOM 445 CE2 PHE A 32 0.197 1.045 -2.099 1.00 0.00 C ATOM 446 CZ PHE A 32 0.619 -0.239 -1.812 1.00 0.00 C ATOM 0 H PHE A 32 1.914 -0.028 -5.951 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.223 0.890 -7.749 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.485 1.610 -5.650 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.537 -0.097 -6.043 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.026 -1.678 -4.800 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.617 2.352 -3.576 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.889 -2.221 -2.564 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.245 1.812 -1.340 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.996 -0.477 -0.828 1.00 0.00 H new ATOM 456 N THR A 33 0.199 3.328 -6.986 1.00 0.00 N ATOM 457 CA THR A 33 0.719 4.683 -6.853 1.00 0.00 C ATOM 458 C THR A 33 0.036 5.424 -5.709 1.00 0.00 C ATOM 459 O THR A 33 -1.180 5.333 -5.535 1.00 0.00 O ATOM 460 CB THR A 33 0.532 5.486 -8.154 1.00 0.00 C ATOM 461 OG1 THR A 33 1.234 4.850 -9.228 1.00 0.00 O ATOM 462 CG2 THR A 33 1.035 6.912 -7.987 1.00 0.00 C ATOM 0 H THR A 33 -0.715 3.269 -7.435 1.00 0.00 H new ATOM 0 HA THR A 33 1.784 4.594 -6.640 1.00 0.00 H new ATOM 0 HB THR A 33 -0.533 5.518 -8.385 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.109 5.366 -10.052 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.892 7.460 -8.919 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.478 7.403 -7.189 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.095 6.897 -7.734 1.00 0.00 H new ATOM 470 N LEU A 34 0.825 6.157 -4.932 1.00 0.00 N ATOM 471 CA LEU A 34 0.296 6.916 -3.803 1.00 0.00 C ATOM 472 C LEU A 34 0.404 8.416 -4.057 1.00 0.00 C ATOM 473 O LEU A 34 1.495 8.986 -4.019 1.00 0.00 O ATOM 474 CB LEU A 34 1.044 6.549 -2.521 1.00 0.00 C ATOM 475 CG LEU A 34 0.824 7.477 -1.326 1.00 0.00 C ATOM 476 CD1 LEU A 34 -0.605 7.366 -0.819 1.00 0.00 C ATOM 477 CD2 LEU A 34 1.813 7.159 -0.214 1.00 0.00 C ATOM 0 H LEU A 34 1.833 6.242 -5.062 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.757 6.661 -3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.752 5.540 -2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.111 6.521 -2.742 1.00 0.00 H new ATOM 0 HG LEU A 34 0.993 8.503 -1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.742 8.034 0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.296 7.645 -1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.803 6.340 -0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.641 7.829 0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.677 6.127 0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.830 7.292 -0.583 1.00 0.00 H new ATOM 489 N LEU A 35 -0.734 9.051 -4.313 1.00 0.00 N ATOM 490 CA LEU A 35 -0.769 10.486 -4.571 1.00 0.00 C ATOM 491 C LEU A 35 -0.697 11.275 -3.268 1.00 0.00 C ATOM 492 O LEU A 35 -1.242 10.856 -2.246 1.00 0.00 O ATOM 493 CB LEU A 35 -2.041 10.857 -5.336 1.00 0.00 C ATOM 494 CG LEU A 35 -2.211 10.209 -6.710 1.00 0.00 C ATOM 495 CD1 LEU A 35 -3.679 10.165 -7.102 1.00 0.00 C ATOM 496 CD2 LEU A 35 -1.400 10.959 -7.757 1.00 0.00 C ATOM 0 H LEU A 35 -1.645 8.594 -4.347 1.00 0.00 H new ATOM 0 HA LEU A 35 0.099 10.742 -5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.901 10.590 -4.722 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.063 11.939 -5.462 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.840 9.185 -6.656 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.780 9.700 -8.083 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.235 9.584 -6.366 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.076 11.179 -7.138 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.533 10.484 -8.729 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.741 11.993 -7.809 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.345 10.938 -7.484 1.00 0.00 H new ATOM 508 N CYS A 36 -0.024 12.420 -3.311 1.00 0.00 N ATOM 509 CA CYS A 36 0.118 13.269 -2.134 1.00 0.00 C ATOM 510 C CYS A 36 -0.594 14.602 -2.336 1.00 0.00 C ATOM 511 O CYS A 36 -0.285 15.349 -3.265 1.00 0.00 O ATOM 512 CB CYS A 36 1.597 13.508 -1.827 1.00 0.00 C ATOM 513 SG CYS A 36 2.447 12.073 -1.130 1.00 0.00 S ATOM 0 H CYS A 36 0.432 12.781 -4.149 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.342 12.756 -1.289 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.104 13.807 -2.745 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.682 14.341 -1.130 1.00 0.00 H new ATOM 0 HG CYS A 36 3.692 12.372 -0.907 1.00 0.00 H new ATOM 519 N LYS A 37 -1.551 14.895 -1.462 1.00 0.00 N ATOM 520 CA LYS A 37 -2.308 16.139 -1.544 1.00 0.00 C ATOM 521 C LYS A 37 -2.120 16.974 -0.281 1.00 0.00 C ATOM 522 O LYS A 37 -1.624 16.482 0.732 1.00 0.00 O ATOM 523 CB LYS A 37 -3.794 15.841 -1.755 1.00 0.00 C ATOM 524 CG LYS A 37 -4.119 15.319 -3.144 1.00 0.00 C ATOM 525 CD LYS A 37 -3.995 13.806 -3.213 1.00 0.00 C ATOM 526 CE LYS A 37 -4.306 13.285 -4.608 1.00 0.00 C ATOM 527 NZ LYS A 37 -5.735 13.494 -4.972 1.00 0.00 N ATOM 0 H LYS A 37 -1.821 14.288 -0.688 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.933 16.709 -2.394 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.117 15.108 -1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.367 16.750 -1.574 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.132 15.615 -3.417 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.447 15.774 -3.871 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.985 13.509 -2.929 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.675 13.351 -2.493 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.669 13.789 -5.334 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.070 12.222 -4.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.948 12.980 -5.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.344 13.139 -4.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.912 14.509 -5.113 1.00 0.00 H new ATOM 541 N ASP A 38 -2.521 18.239 -0.349 1.00 0.00 N ATOM 542 CA ASP A 38 -2.399 19.142 0.789 1.00 0.00 C ATOM 543 C ASP A 38 -3.605 19.015 1.715 1.00 0.00 C ATOM 544 O ASP A 38 -4.516 18.228 1.460 1.00 0.00 O ATOM 545 CB ASP A 38 -2.260 20.587 0.308 1.00 0.00 C ATOM 546 CG ASP A 38 -3.552 21.133 -0.267 1.00 0.00 C ATOM 547 OD1 ASP A 38 -4.544 20.376 -0.322 1.00 0.00 O ATOM 548 OD2 ASP A 38 -3.572 22.317 -0.662 1.00 0.00 O ATOM 0 H ASP A 38 -2.933 18.662 -1.181 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.504 18.865 1.347 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.942 21.215 1.140 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.477 20.641 -0.449 1.00 0.00 H new ATOM 553 N ALA A 39 -3.602 19.793 2.792 1.00 0.00 N ATOM 554 CA ALA A 39 -4.696 19.768 3.756 1.00 0.00 C ATOM 555 C ALA A 39 -6.023 20.115 3.089 1.00 0.00 C ATOM 556 O ALA A 39 -7.090 19.908 3.665 1.00 0.00 O ATOM 557 CB ALA A 39 -4.412 20.729 4.901 1.00 0.00 C ATOM 0 H ALA A 39 -2.854 20.449 3.019 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.773 18.757 4.155 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.237 20.700 5.613 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.490 20.436 5.402 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.306 21.741 4.509 1.00 0.00 H new ATOM 563 N ALA A 40 -5.948 20.643 1.872 1.00 0.00 N ATOM 564 CA ALA A 40 -7.144 21.016 1.126 1.00 0.00 C ATOM 565 C ALA A 40 -7.635 19.861 0.262 1.00 0.00 C ATOM 566 O ALA A 40 -8.803 19.812 -0.121 1.00 0.00 O ATOM 567 CB ALA A 40 -6.869 22.242 0.267 1.00 0.00 C ATOM 0 H ALA A 40 -5.072 20.822 1.381 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.929 21.257 1.843 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.770 22.509 -0.285 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.574 23.075 0.905 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.066 22.021 -0.436 1.00 0.00 H new ATOM 573 N GLY A 41 -6.734 18.932 -0.045 1.00 0.00 N ATOM 574 CA GLY A 41 -7.096 17.789 -0.863 1.00 0.00 C ATOM 575 C GLY A 41 -6.750 17.992 -2.326 1.00 0.00 C ATOM 576 O GLY A 41 -7.331 17.350 -3.201 1.00 0.00 O ATOM 0 H GLY A 41 -5.760 18.951 0.258 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.583 16.902 -0.491 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.166 17.602 -0.768 1.00 0.00 H new ATOM 580 N GLU A 42 -5.804 18.887 -2.590 1.00 0.00 N ATOM 581 CA GLU A 42 -5.385 19.173 -3.957 1.00 0.00 C ATOM 582 C GLU A 42 -3.917 18.811 -4.164 1.00 0.00 C ATOM 583 O GLU A 42 -3.154 18.697 -3.204 1.00 0.00 O ATOM 584 CB GLU A 42 -5.608 20.651 -4.284 1.00 0.00 C ATOM 585 CG GLU A 42 -4.664 21.586 -3.547 1.00 0.00 C ATOM 586 CD GLU A 42 -5.280 22.946 -3.281 1.00 0.00 C ATOM 587 OE1 GLU A 42 -6.068 23.416 -4.128 1.00 0.00 O ATOM 588 OE2 GLU A 42 -4.975 23.541 -2.226 1.00 0.00 O ATOM 0 H GLU A 42 -5.314 19.426 -1.876 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.990 18.564 -4.629 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.488 20.799 -5.357 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.636 20.918 -4.038 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.374 21.131 -2.600 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.753 21.712 -4.132 1.00 0.00 H new ATOM 595 N ILE A 43 -3.530 18.631 -5.422 1.00 0.00 N ATOM 596 CA ILE A 43 -2.154 18.283 -5.754 1.00 0.00 C ATOM 597 C ILE A 43 -1.185 19.362 -5.285 1.00 0.00 C ATOM 598 O ILE A 43 -1.424 20.553 -5.481 1.00 0.00 O ATOM 599 CB ILE A 43 -1.977 18.073 -7.270 1.00 0.00 C ATOM 600 CG1 ILE A 43 -2.927 16.983 -7.770 1.00 0.00 C ATOM 601 CG2 ILE A 43 -0.534 17.713 -7.590 1.00 0.00 C ATOM 602 CD1 ILE A 43 -2.678 15.629 -7.143 1.00 0.00 C ATOM 0 H ILE A 43 -4.149 18.720 -6.228 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.931 17.349 -5.237 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.221 19.004 -7.782 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.954 17.286 -7.565 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.830 16.896 -8.852 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.425 17.568 -8.665 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.123 18.519 -7.264 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.265 16.793 -7.071 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.388 14.906 -7.544 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.662 15.304 -7.369 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.804 15.700 -6.063 1.00 0.00 H new ATOM 614 N MET A 44 -0.088 18.937 -4.667 1.00 0.00 N ATOM 615 CA MET A 44 0.920 19.868 -4.173 1.00 0.00 C ATOM 616 C MET A 44 2.114 19.930 -5.120 1.00 0.00 C ATOM 617 O MET A 44 2.796 20.950 -5.208 1.00 0.00 O ATOM 618 CB MET A 44 1.384 19.455 -2.775 1.00 0.00 C ATOM 619 CG MET A 44 1.949 18.046 -2.713 1.00 0.00 C ATOM 620 SD MET A 44 3.199 17.853 -1.428 1.00 0.00 S ATOM 621 CE MET A 44 2.362 18.595 -0.029 1.00 0.00 C ATOM 0 H MET A 44 0.126 17.954 -4.496 1.00 0.00 H new ATOM 0 HA MET A 44 0.469 20.859 -4.121 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.143 20.157 -2.431 1.00 0.00 H new ATOM 0 HB3 MET A 44 0.544 19.531 -2.085 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.137 17.341 -2.533 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.385 17.791 -3.679 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.029 18.600 0.833 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.079 19.618 -0.275 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.468 18.018 0.208 1.00 0.00 H new ATOM 631 N GLY A 45 2.361 18.831 -5.827 1.00 0.00 N ATOM 632 CA GLY A 45 3.473 18.783 -6.758 1.00 0.00 C ATOM 633 C GLY A 45 4.815 18.911 -6.065 1.00 0.00 C ATOM 634 O GLY A 45 5.716 19.585 -6.564 1.00 0.00 O ATOM 0 H GLY A 45 1.811 17.974 -5.771 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.441 17.844 -7.310 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.367 19.585 -7.488 1.00 0.00 H new ATOM 638 N ARG A 46 4.948 18.264 -4.912 1.00 0.00 N ATOM 639 CA ARG A 46 6.189 18.312 -4.148 1.00 0.00 C ATOM 640 C ARG A 46 6.380 17.031 -3.341 1.00 0.00 C ATOM 641 O ARG A 46 5.423 16.475 -2.804 1.00 0.00 O ATOM 642 CB ARG A 46 6.191 19.522 -3.212 1.00 0.00 C ATOM 643 CG ARG A 46 6.127 20.855 -3.941 1.00 0.00 C ATOM 644 CD ARG A 46 7.407 21.128 -4.716 1.00 0.00 C ATOM 645 NE ARG A 46 7.370 22.419 -5.396 1.00 0.00 N ATOM 646 CZ ARG A 46 8.436 22.991 -5.946 1.00 0.00 C ATOM 647 NH1 ARG A 46 9.616 22.389 -5.895 1.00 0.00 N ATOM 648 NH2 ARG A 46 8.322 24.168 -6.548 1.00 0.00 N ATOM 0 H ARG A 46 4.212 17.701 -4.486 1.00 0.00 H new ATOM 0 HA ARG A 46 7.016 18.405 -4.852 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.341 19.447 -2.533 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.092 19.495 -2.599 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.279 20.856 -4.625 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.958 21.656 -3.222 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.256 21.102 -4.034 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.563 20.337 -5.449 1.00 0.00 H new ATOM 0 HE ARG A 46 6.477 22.909 -5.452 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.707 21.484 -5.433 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.432 22.830 -6.318 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.416 24.634 -6.589 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.141 24.606 -6.970 1.00 0.00 H new ATOM 662 N GLY A 47 7.624 16.568 -3.260 1.00 0.00 N ATOM 663 CA GLY A 47 7.918 15.357 -2.518 1.00 0.00 C ATOM 664 C GLY A 47 8.547 15.642 -1.169 1.00 0.00 C ATOM 665 O GLY A 47 8.306 16.691 -0.573 1.00 0.00 O ATOM 0 H GLY A 47 8.433 17.011 -3.695 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.998 14.790 -2.374 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.590 14.730 -3.104 1.00 0.00 H new ATOM 669 N GLY A 48 9.355 14.703 -0.684 1.00 0.00 N ATOM 670 CA GLY A 48 10.006 14.877 0.602 1.00 0.00 C ATOM 671 C GLY A 48 9.097 14.530 1.764 1.00 0.00 C ATOM 672 O GLY A 48 8.908 15.336 2.675 1.00 0.00 O ATOM 0 H GLY A 48 9.570 13.826 -1.158 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.897 14.251 0.642 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.338 15.910 0.701 1.00 0.00 H new ATOM 676 N ASP A 49 8.531 13.329 1.732 1.00 0.00 N ATOM 677 CA ASP A 49 7.636 12.877 2.791 1.00 0.00 C ATOM 678 C ASP A 49 8.078 11.522 3.335 1.00 0.00 C ATOM 679 O ASP A 49 8.931 10.856 2.750 1.00 0.00 O ATOM 680 CB ASP A 49 6.200 12.788 2.271 1.00 0.00 C ATOM 681 CG ASP A 49 5.836 13.955 1.374 1.00 0.00 C ATOM 682 OD1 ASP A 49 5.876 15.107 1.854 1.00 0.00 O ATOM 683 OD2 ASP A 49 5.510 13.716 0.192 1.00 0.00 O ATOM 0 H ASP A 49 8.676 12.651 0.984 1.00 0.00 H new ATOM 0 HA ASP A 49 7.676 13.604 3.602 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.073 11.856 1.720 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.512 12.754 3.116 1.00 0.00 H new ATOM 688 N ASN A 50 7.492 11.121 4.458 1.00 0.00 N ATOM 689 CA ASN A 50 7.826 9.846 5.082 1.00 0.00 C ATOM 690 C ASN A 50 6.717 8.823 4.858 1.00 0.00 C ATOM 691 O ASN A 50 5.707 8.822 5.561 1.00 0.00 O ATOM 692 CB ASN A 50 8.065 10.035 6.582 1.00 0.00 C ATOM 693 CG ASN A 50 9.498 10.420 6.895 1.00 0.00 C ATOM 694 OD1 ASN A 50 10.441 9.827 6.369 1.00 0.00 O ATOM 695 ND2 ASN A 50 9.669 11.416 7.756 1.00 0.00 N ATOM 0 H ASN A 50 6.783 11.661 4.955 1.00 0.00 H new ATOM 0 HA ASN A 50 8.739 9.472 4.619 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.394 10.806 6.960 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.817 9.112 7.106 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.611 11.718 8.006 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.859 11.879 8.168 1.00 0.00 H new ATOM 702 N VAL A 51 6.914 7.952 3.873 1.00 0.00 N ATOM 703 CA VAL A 51 5.931 6.922 3.556 1.00 0.00 C ATOM 704 C VAL A 51 6.274 5.606 4.245 1.00 0.00 C ATOM 705 O VAL A 51 7.446 5.275 4.424 1.00 0.00 O ATOM 706 CB VAL A 51 5.837 6.685 2.037 1.00 0.00 C ATOM 707 CG1 VAL A 51 4.849 5.569 1.731 1.00 0.00 C ATOM 708 CG2 VAL A 51 5.444 7.968 1.321 1.00 0.00 C ATOM 0 H VAL A 51 7.745 7.939 3.281 1.00 0.00 H new ATOM 0 HA VAL A 51 4.968 7.279 3.920 1.00 0.00 H new ATOM 0 HB VAL A 51 6.818 6.379 1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.796 5.416 0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.179 4.649 2.213 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.863 5.842 2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.382 7.782 0.249 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.475 8.307 1.687 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.193 8.736 1.514 1.00 0.00 H new ATOM 718 N GLN A 52 5.243 4.859 4.627 1.00 0.00 N ATOM 719 CA GLN A 52 5.436 3.578 5.297 1.00 0.00 C ATOM 720 C GLN A 52 4.567 2.496 4.663 1.00 0.00 C ATOM 721 O GLN A 52 3.390 2.719 4.378 1.00 0.00 O ATOM 722 CB GLN A 52 5.110 3.703 6.786 1.00 0.00 C ATOM 723 CG GLN A 52 5.919 4.775 7.498 1.00 0.00 C ATOM 724 CD GLN A 52 5.428 5.037 8.908 1.00 0.00 C ATOM 725 OE1 GLN A 52 4.742 4.205 9.504 1.00 0.00 O ATOM 726 NE2 GLN A 52 5.776 6.198 9.450 1.00 0.00 N ATOM 0 H GLN A 52 4.267 5.118 4.484 1.00 0.00 H new ATOM 0 HA GLN A 52 6.482 3.291 5.184 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.049 3.925 6.900 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.289 2.743 7.270 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.966 4.472 7.532 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.874 5.700 6.924 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.345 6.858 8.920 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.474 6.430 10.396 1.00 0.00 H new ATOM 735 N VAL A 53 5.155 1.324 4.445 1.00 0.00 N ATOM 736 CA VAL A 53 4.434 0.208 3.845 1.00 0.00 C ATOM 737 C VAL A 53 4.776 -1.105 4.542 1.00 0.00 C ATOM 738 O VAL A 53 5.915 -1.569 4.489 1.00 0.00 O ATOM 739 CB VAL A 53 4.750 0.077 2.344 1.00 0.00 C ATOM 740 CG1 VAL A 53 4.043 -1.133 1.752 1.00 0.00 C ATOM 741 CG2 VAL A 53 4.360 1.348 1.605 1.00 0.00 C ATOM 0 H VAL A 53 6.128 1.123 4.675 1.00 0.00 H new ATOM 0 HA VAL A 53 3.371 0.415 3.968 1.00 0.00 H new ATOM 0 HB VAL A 53 5.824 -0.068 2.228 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.279 -1.209 0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.377 -2.036 2.263 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.966 -1.023 1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.590 1.238 0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.292 1.527 1.728 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.918 2.191 2.012 1.00 0.00 H new ATOM 751 N ALA A 54 3.783 -1.698 5.195 1.00 0.00 N ATOM 752 CA ALA A 54 3.977 -2.959 5.900 1.00 0.00 C ATOM 753 C ALA A 54 2.780 -3.884 5.712 1.00 0.00 C ATOM 754 O ALA A 54 1.674 -3.583 6.161 1.00 0.00 O ATOM 755 CB ALA A 54 4.222 -2.703 7.380 1.00 0.00 C ATOM 0 H ALA A 54 2.835 -1.325 5.251 1.00 0.00 H new ATOM 0 HA ALA A 54 4.852 -3.452 5.477 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.365 -3.653 7.895 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.113 -2.087 7.500 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.363 -2.185 7.807 1.00 0.00 H new ATOM 761 N VAL A 55 3.008 -5.011 5.045 1.00 0.00 N ATOM 762 CA VAL A 55 1.947 -5.981 4.798 1.00 0.00 C ATOM 763 C VAL A 55 2.047 -7.161 5.758 1.00 0.00 C ATOM 764 O VAL A 55 3.063 -7.855 5.802 1.00 0.00 O ATOM 765 CB VAL A 55 1.993 -6.505 3.351 1.00 0.00 C ATOM 766 CG1 VAL A 55 0.737 -7.302 3.032 1.00 0.00 C ATOM 767 CG2 VAL A 55 2.166 -5.354 2.372 1.00 0.00 C ATOM 0 H VAL A 55 3.917 -5.275 4.666 1.00 0.00 H new ATOM 0 HA VAL A 55 1.001 -5.464 4.960 1.00 0.00 H new ATOM 0 HB VAL A 55 2.852 -7.169 3.251 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.787 -7.664 2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.661 -8.150 3.713 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.139 -6.663 3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.196 -5.743 1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.329 -4.663 2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.097 -4.830 2.588 1.00 0.00 H new ATOM 777 N VAL A 56 0.985 -7.384 6.526 1.00 0.00 N ATOM 778 CA VAL A 56 0.952 -8.481 7.485 1.00 0.00 C ATOM 779 C VAL A 56 -0.311 -9.318 7.319 1.00 0.00 C ATOM 780 O VAL A 56 -1.432 -8.811 7.363 1.00 0.00 O ATOM 781 CB VAL A 56 1.024 -7.963 8.934 1.00 0.00 C ATOM 782 CG1 VAL A 56 1.156 -9.123 9.910 1.00 0.00 C ATOM 783 CG2 VAL A 56 2.180 -6.988 9.093 1.00 0.00 C ATOM 0 H VAL A 56 0.136 -6.819 6.502 1.00 0.00 H new ATOM 0 HA VAL A 56 1.825 -9.102 7.285 1.00 0.00 H new ATOM 0 HB VAL A 56 0.098 -7.434 9.159 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.205 -8.738 10.928 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.292 -9.781 9.812 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.065 -9.683 9.689 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.216 -6.632 10.122 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.116 -7.491 8.850 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.037 -6.142 8.421 1.00 0.00 H new ATOM 793 N PRO A 57 -0.129 -10.633 7.123 1.00 0.00 N ATOM 794 CA PRO A 57 -1.243 -11.569 6.947 1.00 0.00 C ATOM 795 C PRO A 57 -2.039 -11.771 8.232 1.00 0.00 C ATOM 796 O PRO A 57 -1.474 -12.067 9.285 1.00 0.00 O ATOM 797 CB PRO A 57 -0.551 -12.871 6.537 1.00 0.00 C ATOM 798 CG PRO A 57 0.822 -12.766 7.106 1.00 0.00 C ATOM 799 CD PRO A 57 1.179 -11.306 7.060 1.00 0.00 C ATOM 0 HA PRO A 57 -1.968 -11.207 6.218 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.077 -13.740 6.931 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.523 -12.980 5.453 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.850 -13.143 8.128 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.530 -13.359 6.528 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.818 -11.022 7.896 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.718 -11.053 6.147 1.00 0.00 H new ATOM 807 N LYS A 58 -3.354 -11.610 8.139 1.00 0.00 N ATOM 808 CA LYS A 58 -4.230 -11.776 9.293 1.00 0.00 C ATOM 809 C LYS A 58 -4.076 -13.169 9.897 1.00 0.00 C ATOM 810 O LYS A 58 -4.247 -13.356 11.101 1.00 0.00 O ATOM 811 CB LYS A 58 -5.688 -11.541 8.892 1.00 0.00 C ATOM 812 CG LYS A 58 -6.628 -11.393 10.076 1.00 0.00 C ATOM 813 CD LYS A 58 -7.829 -10.529 9.729 1.00 0.00 C ATOM 814 CE LYS A 58 -8.959 -11.357 9.138 1.00 0.00 C ATOM 815 NZ LYS A 58 -9.591 -12.241 10.156 1.00 0.00 N ATOM 0 H LYS A 58 -3.838 -11.364 7.275 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.943 -11.039 10.044 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.747 -10.643 8.278 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.025 -12.373 8.273 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.968 -12.378 10.398 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.091 -10.951 10.915 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.181 -10.017 10.625 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.531 -9.758 9.018 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.713 -10.693 8.716 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.574 -11.964 8.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.544 -12.511 9.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.012 -13.096 10.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.659 -11.734 11.062 1.00 0.00 H new ATOM 829 N ASP A 59 -3.752 -14.142 9.052 1.00 0.00 N ATOM 830 CA ASP A 59 -3.572 -15.517 9.503 1.00 0.00 C ATOM 831 C ASP A 59 -2.390 -15.625 10.461 1.00 0.00 C ATOM 832 O ASP A 59 -2.534 -16.085 11.594 1.00 0.00 O ATOM 833 CB ASP A 59 -3.361 -16.445 8.306 1.00 0.00 C ATOM 834 CG ASP A 59 -3.774 -17.874 8.601 1.00 0.00 C ATOM 835 OD1 ASP A 59 -4.990 -18.155 8.584 1.00 0.00 O ATOM 836 OD2 ASP A 59 -2.881 -18.711 8.849 1.00 0.00 O ATOM 0 H ASP A 59 -3.609 -14.004 8.052 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.475 -15.820 10.033 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.933 -16.073 7.456 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.310 -16.426 8.016 1.00 0.00 H new ATOM 841 N LYS A 60 -1.219 -15.200 9.998 1.00 0.00 N ATOM 842 CA LYS A 60 -0.011 -15.248 10.812 1.00 0.00 C ATOM 843 C LYS A 60 0.449 -13.843 11.187 1.00 0.00 C ATOM 844 O LYS A 60 0.501 -12.949 10.342 1.00 0.00 O ATOM 845 CB LYS A 60 1.106 -15.978 10.062 1.00 0.00 C ATOM 846 CG LYS A 60 0.843 -17.462 9.874 1.00 0.00 C ATOM 847 CD LYS A 60 1.243 -18.260 11.103 1.00 0.00 C ATOM 848 CE LYS A 60 2.754 -18.392 11.214 1.00 0.00 C ATOM 849 NZ LYS A 60 3.160 -19.078 12.472 1.00 0.00 N ATOM 0 H LYS A 60 -1.081 -14.818 9.062 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.242 -15.792 11.728 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.239 -15.514 9.085 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.042 -15.849 10.606 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.215 -17.621 9.664 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.397 -17.824 9.008 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.853 -17.774 11.997 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.792 -19.251 11.057 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.134 -18.949 10.358 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.209 -17.402 11.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.197 -19.148 12.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.820 -18.533 13.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.747 -20.032 12.496 1.00 0.00 H new ATOM 863 N LYS A 61 0.783 -13.655 12.459 1.00 0.00 N ATOM 864 CA LYS A 61 1.242 -12.359 12.946 1.00 0.00 C ATOM 865 C LYS A 61 2.736 -12.181 12.696 1.00 0.00 C ATOM 866 O LYS A 61 3.218 -11.061 12.528 1.00 0.00 O ATOM 867 CB LYS A 61 0.944 -12.219 14.441 1.00 0.00 C ATOM 868 CG LYS A 61 1.520 -13.344 15.284 1.00 0.00 C ATOM 869 CD LYS A 61 1.283 -13.108 16.766 1.00 0.00 C ATOM 870 CE LYS A 61 -0.155 -13.417 17.156 1.00 0.00 C ATOM 871 NZ LYS A 61 -0.592 -12.621 18.336 1.00 0.00 N ATOM 0 H LYS A 61 0.745 -14.384 13.172 1.00 0.00 H new ATOM 0 HA LYS A 61 0.706 -11.583 12.400 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.344 -11.269 14.795 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.136 -12.184 14.586 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.067 -14.290 14.988 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.590 -13.430 15.095 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.961 -13.732 17.348 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.513 -12.071 17.012 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.813 -13.208 16.313 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.251 -14.480 17.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.577 -12.860 18.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.020 -12.839 19.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.525 -11.607 18.115 1.00 0.00 H new ATOM 885 N ASP A 62 3.463 -13.293 12.671 1.00 0.00 N ATOM 886 CA ASP A 62 4.903 -13.259 12.438 1.00 0.00 C ATOM 887 C ASP A 62 5.211 -13.251 10.944 1.00 0.00 C ATOM 888 O ASP A 62 5.745 -12.276 10.416 1.00 0.00 O ATOM 889 CB ASP A 62 5.576 -14.460 13.104 1.00 0.00 C ATOM 890 CG ASP A 62 5.263 -14.552 14.585 1.00 0.00 C ATOM 891 OD1 ASP A 62 5.637 -13.622 15.330 1.00 0.00 O ATOM 892 OD2 ASP A 62 4.642 -15.553 14.998 1.00 0.00 O ATOM 0 H ASP A 62 3.080 -14.228 12.809 1.00 0.00 H new ATOM 0 HA ASP A 62 5.297 -12.342 12.877 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.251 -15.375 12.609 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.655 -14.390 12.967 1.00 0.00 H new ATOM 897 N SER A 63 4.873 -14.345 10.269 1.00 0.00 N ATOM 898 CA SER A 63 5.118 -14.466 8.837 1.00 0.00 C ATOM 899 C SER A 63 5.001 -13.110 8.149 1.00 0.00 C ATOM 900 O SER A 63 3.913 -12.657 7.794 1.00 0.00 O ATOM 901 CB SER A 63 4.133 -15.455 8.211 1.00 0.00 C ATOM 902 OG SER A 63 4.291 -16.751 8.763 1.00 0.00 O ATOM 0 H SER A 63 4.429 -15.160 10.691 1.00 0.00 H new ATOM 0 HA SER A 63 6.133 -14.838 8.698 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.112 -15.109 8.374 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.288 -15.494 7.133 1.00 0.00 H new ATOM 0 HG SER A 63 3.649 -17.364 8.348 1.00 0.00 H new ATOM 908 N PRO A 64 6.150 -12.444 7.956 1.00 0.00 N ATOM 909 CA PRO A 64 6.204 -11.130 7.309 1.00 0.00 C ATOM 910 C PRO A 64 5.881 -11.203 5.820 1.00 0.00 C ATOM 911 O PRO A 64 5.541 -12.265 5.300 1.00 0.00 O ATOM 912 CB PRO A 64 7.654 -10.689 7.521 1.00 0.00 C ATOM 913 CG PRO A 64 8.417 -11.960 7.674 1.00 0.00 C ATOM 914 CD PRO A 64 7.484 -12.924 8.353 1.00 0.00 C ATOM 0 HA PRO A 64 5.470 -10.440 7.725 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.019 -10.107 6.674 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.751 -10.060 8.406 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.736 -12.343 6.705 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.318 -11.805 8.268 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.656 -13.949 8.025 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.610 -12.911 9.436 1.00 0.00 H new ATOM 922 N VAL A 65 5.991 -10.066 5.139 1.00 0.00 N ATOM 923 CA VAL A 65 5.712 -10.002 3.709 1.00 0.00 C ATOM 924 C VAL A 65 6.761 -9.168 2.982 1.00 0.00 C ATOM 925 O VAL A 65 7.013 -8.018 3.342 1.00 0.00 O ATOM 926 CB VAL A 65 4.318 -9.407 3.435 1.00 0.00 C ATOM 927 CG1 VAL A 65 4.080 -9.272 1.939 1.00 0.00 C ATOM 928 CG2 VAL A 65 3.238 -10.262 4.081 1.00 0.00 C ATOM 0 H VAL A 65 6.271 -9.178 5.554 1.00 0.00 H new ATOM 0 HA VAL A 65 5.742 -11.025 3.334 1.00 0.00 H new ATOM 0 HB VAL A 65 4.273 -8.411 3.877 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.090 -8.850 1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.836 -8.615 1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.143 -10.254 1.470 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.259 -9.827 3.877 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.279 -11.271 3.671 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.401 -10.301 5.158 1.00 0.00 H new ATOM 938 N ARG A 66 7.369 -9.755 1.956 1.00 0.00 N ATOM 939 CA ARG A 66 8.391 -9.066 1.178 1.00 0.00 C ATOM 940 C ARG A 66 7.822 -7.811 0.523 1.00 0.00 C ATOM 941 O ARG A 66 6.875 -7.881 -0.260 1.00 0.00 O ATOM 942 CB ARG A 66 8.962 -9.998 0.108 1.00 0.00 C ATOM 943 CG ARG A 66 10.002 -10.971 0.640 1.00 0.00 C ATOM 944 CD ARG A 66 10.358 -12.027 -0.395 1.00 0.00 C ATOM 945 NE ARG A 66 11.260 -11.507 -1.419 1.00 0.00 N ATOM 946 CZ ARG A 66 12.566 -11.350 -1.237 1.00 0.00 C ATOM 947 NH1 ARG A 66 13.120 -11.671 -0.076 1.00 0.00 N ATOM 948 NH2 ARG A 66 13.321 -10.870 -2.217 1.00 0.00 N ATOM 0 H ARG A 66 7.171 -10.706 1.645 1.00 0.00 H new ATOM 0 HA ARG A 66 9.191 -8.770 1.857 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.146 -10.562 -0.343 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.410 -9.397 -0.684 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.900 -10.424 0.927 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.622 -11.455 1.540 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.825 -12.878 0.101 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.447 -12.394 -0.867 1.00 0.00 H new ATOM 0 HE ARG A 66 10.865 -11.250 -2.324 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.543 -12.040 0.680 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.123 -11.549 0.061 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.898 -10.621 -3.111 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.324 -10.750 -2.076 1.00 0.00 H new ATOM 962 N THR A 67 8.406 -6.662 0.850 1.00 0.00 N ATOM 963 CA THR A 67 7.957 -5.391 0.296 1.00 0.00 C ATOM 964 C THR A 67 9.127 -4.595 -0.272 1.00 0.00 C ATOM 965 O THR A 67 10.271 -4.774 0.144 1.00 0.00 O ATOM 966 CB THR A 67 7.237 -4.538 1.357 1.00 0.00 C ATOM 967 OG1 THR A 67 8.019 -4.485 2.555 1.00 0.00 O ATOM 968 CG2 THR A 67 5.862 -5.110 1.668 1.00 0.00 C ATOM 0 H THR A 67 9.192 -6.586 1.496 1.00 0.00 H new ATOM 0 HA THR A 67 7.257 -5.626 -0.506 1.00 0.00 H new ATOM 0 HB THR A 67 7.113 -3.531 0.960 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.556 -3.939 3.224 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.372 -4.491 2.420 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.259 -5.123 0.760 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.968 -6.126 2.047 1.00 0.00 H new ATOM 976 N MET A 68 8.832 -3.715 -1.223 1.00 0.00 N ATOM 977 CA MET A 68 9.860 -2.890 -1.846 1.00 0.00 C ATOM 978 C MET A 68 9.341 -1.479 -2.105 1.00 0.00 C ATOM 979 O MET A 68 8.528 -1.260 -3.002 1.00 0.00 O ATOM 980 CB MET A 68 10.327 -3.523 -3.158 1.00 0.00 C ATOM 981 CG MET A 68 11.433 -4.549 -2.978 1.00 0.00 C ATOM 982 SD MET A 68 10.801 -6.193 -2.597 1.00 0.00 S ATOM 983 CE MET A 68 12.287 -7.000 -2.008 1.00 0.00 C ATOM 0 H MET A 68 7.890 -3.555 -1.579 1.00 0.00 H new ATOM 0 HA MET A 68 10.705 -2.827 -1.161 1.00 0.00 H new ATOM 0 HB2 MET A 68 9.476 -4.000 -3.645 1.00 0.00 H new ATOM 0 HB3 MET A 68 10.677 -2.737 -3.827 1.00 0.00 H new ATOM 0 HG2 MET A 68 12.031 -4.596 -3.888 1.00 0.00 H new ATOM 0 HG3 MET A 68 12.097 -4.225 -2.177 1.00 0.00 H new ATOM 0 HE1 MET A 68 12.057 -8.029 -1.732 1.00 0.00 H new ATOM 0 HE2 MET A 68 13.040 -6.995 -2.796 1.00 0.00 H new ATOM 0 HE3 MET A 68 12.669 -6.468 -1.137 1.00 0.00 H new ATOM 993 N VAL A 69 9.817 -0.523 -1.312 1.00 0.00 N ATOM 994 CA VAL A 69 9.402 0.867 -1.456 1.00 0.00 C ATOM 995 C VAL A 69 10.433 1.670 -2.241 1.00 0.00 C ATOM 996 O VAL A 69 11.610 1.704 -1.884 1.00 0.00 O ATOM 997 CB VAL A 69 9.186 1.533 -0.084 1.00 0.00 C ATOM 998 CG1 VAL A 69 8.776 2.988 -0.256 1.00 0.00 C ATOM 999 CG2 VAL A 69 8.145 0.769 0.720 1.00 0.00 C ATOM 0 H VAL A 69 10.490 -0.687 -0.563 1.00 0.00 H new ATOM 0 HA VAL A 69 8.458 0.861 -2.002 1.00 0.00 H new ATOM 0 HB VAL A 69 10.127 1.508 0.466 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.628 3.442 0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 69 9.559 3.526 -0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.847 3.040 -0.824 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.005 1.253 1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.200 0.761 0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.484 -0.256 0.873 1.00 0.00 H new ATOM 1009 N GLN A 70 9.982 2.315 -3.312 1.00 0.00 N ATOM 1010 CA GLN A 70 10.867 3.118 -4.149 1.00 0.00 C ATOM 1011 C GLN A 70 10.553 4.603 -4.003 1.00 0.00 C ATOM 1012 O GLN A 70 9.609 5.110 -4.609 1.00 0.00 O ATOM 1013 CB GLN A 70 10.738 2.698 -5.614 1.00 0.00 C ATOM 1014 CG GLN A 70 11.933 3.092 -6.467 1.00 0.00 C ATOM 1015 CD GLN A 70 11.809 2.615 -7.901 1.00 0.00 C ATOM 1016 OE1 GLN A 70 11.273 3.318 -8.757 1.00 0.00 O ATOM 1017 NE2 GLN A 70 12.305 1.413 -8.170 1.00 0.00 N ATOM 0 H GLN A 70 9.010 2.298 -3.621 1.00 0.00 H new ATOM 0 HA GLN A 70 11.892 2.948 -3.819 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.608 1.617 -5.663 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.838 3.147 -6.034 1.00 0.00 H new ATOM 0 HG2 GLN A 70 12.040 4.177 -6.457 1.00 0.00 H new ATOM 0 HG3 GLN A 70 12.841 2.678 -6.028 1.00 0.00 H new ATOM 0 HE21 GLN A 70 12.741 0.864 -7.429 1.00 0.00 H new ATOM 0 HE22 GLN A 70 12.250 1.039 -9.117 1.00 0.00 H new ATOM 1026 N ASP A 71 11.350 5.295 -3.197 1.00 0.00 N ATOM 1027 CA ASP A 71 11.158 6.723 -2.972 1.00 0.00 C ATOM 1028 C ASP A 71 11.468 7.518 -4.237 1.00 0.00 C ATOM 1029 O ASP A 71 12.490 7.299 -4.884 1.00 0.00 O ATOM 1030 CB ASP A 71 12.044 7.204 -1.822 1.00 0.00 C ATOM 1031 CG ASP A 71 13.401 6.527 -1.814 1.00 0.00 C ATOM 1032 OD1 ASP A 71 13.937 6.260 -2.910 1.00 0.00 O ATOM 1033 OD2 ASP A 71 13.926 6.265 -0.713 1.00 0.00 O ATOM 0 H ASP A 71 12.136 4.890 -2.688 1.00 0.00 H new ATOM 0 HA ASP A 71 10.113 6.887 -2.708 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.180 8.283 -1.899 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.540 7.013 -0.875 1.00 0.00 H new ATOM 1038 N ASN A 72 10.576 8.442 -4.582 1.00 0.00 N ATOM 1039 CA ASN A 72 10.754 9.269 -5.770 1.00 0.00 C ATOM 1040 C ASN A 72 10.677 10.751 -5.417 1.00 0.00 C ATOM 1041 O ASN A 72 11.292 11.590 -6.076 1.00 0.00 O ATOM 1042 CB ASN A 72 9.693 8.927 -6.818 1.00 0.00 C ATOM 1043 CG ASN A 72 10.120 7.787 -7.722 1.00 0.00 C ATOM 1044 OD1 ASN A 72 11.046 7.927 -8.522 1.00 0.00 O ATOM 1045 ND2 ASN A 72 9.445 6.650 -7.600 1.00 0.00 N ATOM 0 H ASN A 72 9.724 8.636 -4.056 1.00 0.00 H new ATOM 0 HA ASN A 72 11.742 9.063 -6.182 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.763 8.660 -6.316 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.487 9.810 -7.424 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.687 5.848 -8.182 1.00 0.00 H new ATOM 0 HD22 ASN A 72 8.685 6.578 -6.924 1.00 0.00 H new ATOM 1052 N LYS A 73 9.918 11.067 -4.374 1.00 0.00 N ATOM 1053 CA LYS A 73 9.761 12.447 -3.930 1.00 0.00 C ATOM 1054 C LYS A 73 9.433 13.362 -5.106 1.00 0.00 C ATOM 1055 O LYS A 73 9.939 14.480 -5.195 1.00 0.00 O ATOM 1056 CB LYS A 73 11.036 12.929 -3.236 1.00 0.00 C ATOM 1057 CG LYS A 73 11.435 12.082 -2.039 1.00 0.00 C ATOM 1058 CD LYS A 73 12.352 10.941 -2.445 1.00 0.00 C ATOM 1059 CE LYS A 73 13.186 10.452 -1.271 1.00 0.00 C ATOM 1060 NZ LYS A 73 14.390 9.699 -1.721 1.00 0.00 N ATOM 0 H LYS A 73 9.401 10.385 -3.819 1.00 0.00 H new ATOM 0 HA LYS A 73 8.933 12.483 -3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.853 12.932 -3.957 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.895 13.960 -2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.936 12.708 -1.300 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.541 11.680 -1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.757 10.117 -2.838 1.00 0.00 H new ATOM 0 HD3 LYS A 73 13.011 11.270 -3.249 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.496 11.304 -0.666 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.575 9.813 -0.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 14.780 9.158 -0.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 14.125 9.045 -2.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 15.107 10.367 -2.070 1.00 0.00 H new ATOM 1074 N ASP A 74 8.582 12.880 -6.005 1.00 0.00 N ATOM 1075 CA ASP A 74 8.184 13.656 -7.174 1.00 0.00 C ATOM 1076 C ASP A 74 6.667 13.798 -7.241 1.00 0.00 C ATOM 1077 O ASP A 74 6.088 13.876 -8.324 1.00 0.00 O ATOM 1078 CB ASP A 74 8.704 12.995 -8.452 1.00 0.00 C ATOM 1079 CG ASP A 74 7.872 11.796 -8.864 1.00 0.00 C ATOM 1080 OD1 ASP A 74 7.203 11.210 -7.988 1.00 0.00 O ATOM 1081 OD2 ASP A 74 7.892 11.443 -10.061 1.00 0.00 O ATOM 0 H ASP A 74 8.154 11.956 -5.947 1.00 0.00 H new ATOM 0 HA ASP A 74 8.620 14.651 -7.085 1.00 0.00 H new ATOM 0 HB2 ASP A 74 8.707 13.726 -9.260 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.737 12.682 -8.301 1.00 0.00 H new ATOM 1086 N GLY A 75 6.028 13.830 -6.076 1.00 0.00 N ATOM 1087 CA GLY A 75 4.584 13.961 -6.024 1.00 0.00 C ATOM 1088 C GLY A 75 3.890 12.640 -5.760 1.00 0.00 C ATOM 1089 O GLY A 75 2.863 12.593 -5.082 1.00 0.00 O ATOM 0 H GLY A 75 6.485 13.767 -5.166 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.315 14.672 -5.242 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.226 14.374 -6.967 1.00 0.00 H new ATOM 1093 N THR A 76 4.451 11.560 -6.297 1.00 0.00 N ATOM 1094 CA THR A 76 3.879 10.232 -6.118 1.00 0.00 C ATOM 1095 C THR A 76 4.949 9.221 -5.724 1.00 0.00 C ATOM 1096 O THR A 76 6.135 9.422 -5.990 1.00 0.00 O ATOM 1097 CB THR A 76 3.176 9.746 -7.400 1.00 0.00 C ATOM 1098 OG1 THR A 76 4.093 9.769 -8.500 1.00 0.00 O ATOM 1099 CG2 THR A 76 1.970 10.616 -7.719 1.00 0.00 C ATOM 0 H THR A 76 5.302 11.580 -6.860 1.00 0.00 H new ATOM 0 HA THR A 76 3.144 10.310 -5.317 1.00 0.00 H new ATOM 0 HB THR A 76 2.833 8.725 -7.235 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.639 9.457 -9.311 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.490 10.254 -8.628 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.261 10.572 -6.892 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.293 11.647 -7.866 1.00 0.00 H new ATOM 1107 N TYR A 77 4.524 8.134 -5.089 1.00 0.00 N ATOM 1108 CA TYR A 77 5.448 7.092 -4.657 1.00 0.00 C ATOM 1109 C TYR A 77 5.176 5.783 -5.393 1.00 0.00 C ATOM 1110 O TYR A 77 4.086 5.573 -5.926 1.00 0.00 O ATOM 1111 CB TYR A 77 5.332 6.874 -3.147 1.00 0.00 C ATOM 1112 CG TYR A 77 6.054 7.919 -2.328 1.00 0.00 C ATOM 1113 CD1 TYR A 77 5.458 9.142 -2.046 1.00 0.00 C ATOM 1114 CD2 TYR A 77 7.332 7.685 -1.836 1.00 0.00 C ATOM 1115 CE1 TYR A 77 6.114 10.101 -1.298 1.00 0.00 C ATOM 1116 CE2 TYR A 77 7.995 8.637 -1.086 1.00 0.00 C ATOM 1117 CZ TYR A 77 7.381 9.844 -0.820 1.00 0.00 C ATOM 1118 OH TYR A 77 8.039 10.796 -0.075 1.00 0.00 O ATOM 0 H TYR A 77 3.546 7.952 -4.862 1.00 0.00 H new ATOM 0 HA TYR A 77 6.461 7.418 -4.895 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.278 6.870 -2.869 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.731 5.890 -2.899 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.465 9.347 -2.418 1.00 0.00 H new ATOM 0 HD2 TYR A 77 7.816 6.742 -2.044 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.636 11.047 -1.089 1.00 0.00 H new ATOM 0 HE2 TYR A 77 8.988 8.438 -0.710 1.00 0.00 H new ATOM 0 HH TYR A 77 8.168 10.465 0.838 1.00 0.00 H new ATOM 1128 N TYR A 78 6.174 4.908 -5.418 1.00 0.00 N ATOM 1129 CA TYR A 78 6.045 3.620 -6.089 1.00 0.00 C ATOM 1130 C TYR A 78 6.263 2.470 -5.110 1.00 0.00 C ATOM 1131 O TYR A 78 7.396 2.161 -4.741 1.00 0.00 O ATOM 1132 CB TYR A 78 7.046 3.520 -7.242 1.00 0.00 C ATOM 1133 CG TYR A 78 6.644 2.527 -8.309 1.00 0.00 C ATOM 1134 CD1 TYR A 78 5.388 2.586 -8.902 1.00 0.00 C ATOM 1135 CD2 TYR A 78 7.517 1.530 -8.723 1.00 0.00 C ATOM 1136 CE1 TYR A 78 5.016 1.681 -9.877 1.00 0.00 C ATOM 1137 CE2 TYR A 78 7.154 0.621 -9.698 1.00 0.00 C ATOM 1138 CZ TYR A 78 5.902 0.701 -10.272 1.00 0.00 C ATOM 1139 OH TYR A 78 5.536 -0.203 -11.243 1.00 0.00 O ATOM 0 H TYR A 78 7.082 5.067 -4.981 1.00 0.00 H new ATOM 0 HA TYR A 78 5.033 3.546 -6.487 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.162 4.503 -7.698 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.020 3.237 -6.843 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.691 3.352 -8.595 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.497 1.464 -8.275 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.036 1.741 -10.328 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.846 -0.148 -10.009 1.00 0.00 H new ATOM 0 HH TYR A 78 6.275 -0.826 -11.405 1.00 0.00 H new ATOM 1149 N ILE A 79 5.169 1.841 -4.695 1.00 0.00 N ATOM 1150 CA ILE A 79 5.240 0.724 -3.760 1.00 0.00 C ATOM 1151 C ILE A 79 4.986 -0.602 -4.468 1.00 0.00 C ATOM 1152 O ILE A 79 4.169 -0.682 -5.386 1.00 0.00 O ATOM 1153 CB ILE A 79 4.223 0.884 -2.614 1.00 0.00 C ATOM 1154 CG1 ILE A 79 4.497 2.173 -1.837 1.00 0.00 C ATOM 1155 CG2 ILE A 79 4.275 -0.321 -1.688 1.00 0.00 C ATOM 1156 CD1 ILE A 79 3.256 2.785 -1.226 1.00 0.00 C ATOM 0 H ILE A 79 4.224 2.085 -4.991 1.00 0.00 H new ATOM 0 HA ILE A 79 6.247 0.724 -3.344 1.00 0.00 H new ATOM 0 HB ILE A 79 3.222 0.946 -3.041 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.217 1.965 -1.046 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.959 2.899 -2.505 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.551 -0.193 -0.883 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.036 -1.223 -2.251 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.275 -0.412 -1.265 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.525 3.695 -0.691 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.543 3.025 -2.014 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.805 2.076 -0.532 1.00 0.00 H new ATOM 1168 N SER A 80 5.691 -1.642 -4.035 1.00 0.00 N ATOM 1169 CA SER A 80 5.544 -2.966 -4.629 1.00 0.00 C ATOM 1170 C SER A 80 5.628 -4.053 -3.561 1.00 0.00 C ATOM 1171 O SER A 80 6.463 -3.989 -2.659 1.00 0.00 O ATOM 1172 CB SER A 80 6.622 -3.194 -5.691 1.00 0.00 C ATOM 1173 OG SER A 80 6.188 -2.743 -6.962 1.00 0.00 O ATOM 0 H SER A 80 6.370 -1.594 -3.275 1.00 0.00 H new ATOM 0 HA SER A 80 4.563 -3.019 -5.100 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.534 -2.669 -5.407 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.868 -4.255 -5.742 1.00 0.00 H new ATOM 0 HG SER A 80 6.895 -2.898 -7.623 1.00 0.00 H new ATOM 1179 N TYR A 81 4.757 -5.049 -3.671 1.00 0.00 N ATOM 1180 CA TYR A 81 4.730 -6.150 -2.715 1.00 0.00 C ATOM 1181 C TYR A 81 4.334 -7.455 -3.397 1.00 0.00 C ATOM 1182 O TYR A 81 3.508 -7.468 -4.310 1.00 0.00 O ATOM 1183 CB TYR A 81 3.755 -5.840 -1.577 1.00 0.00 C ATOM 1184 CG TYR A 81 2.303 -6.022 -1.957 1.00 0.00 C ATOM 1185 CD1 TYR A 81 1.741 -7.290 -2.041 1.00 0.00 C ATOM 1186 CD2 TYR A 81 1.494 -4.927 -2.234 1.00 0.00 C ATOM 1187 CE1 TYR A 81 0.415 -7.462 -2.388 1.00 0.00 C ATOM 1188 CE2 TYR A 81 0.167 -5.089 -2.581 1.00 0.00 C ATOM 1189 CZ TYR A 81 -0.368 -6.358 -2.657 1.00 0.00 C ATOM 1190 OH TYR A 81 -1.689 -6.524 -3.004 1.00 0.00 O ATOM 0 H TYR A 81 4.060 -5.117 -4.413 1.00 0.00 H new ATOM 0 HA TYR A 81 5.733 -6.266 -2.305 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.983 -6.485 -0.728 1.00 0.00 H new ATOM 0 HB3 TYR A 81 3.909 -4.813 -1.247 1.00 0.00 H new ATOM 0 HD1 TYR A 81 2.351 -8.156 -1.831 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.910 -3.932 -2.177 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.006 -8.455 -2.448 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.448 -4.227 -2.792 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.099 -5.648 -3.159 1.00 0.00 H new ATOM 1200 N THR A 82 4.930 -8.555 -2.947 1.00 0.00 N ATOM 1201 CA THR A 82 4.642 -9.867 -3.513 1.00 0.00 C ATOM 1202 C THR A 82 4.435 -10.905 -2.417 1.00 0.00 C ATOM 1203 O THR A 82 5.371 -11.308 -1.725 1.00 0.00 O ATOM 1204 CB THR A 82 5.775 -10.338 -4.444 1.00 0.00 C ATOM 1205 OG1 THR A 82 6.037 -9.343 -5.440 1.00 0.00 O ATOM 1206 CG2 THR A 82 5.411 -11.653 -5.117 1.00 0.00 C ATOM 0 H THR A 82 5.616 -8.563 -2.192 1.00 0.00 H new ATOM 0 HA THR A 82 3.724 -9.767 -4.092 1.00 0.00 H new ATOM 0 HB THR A 82 6.670 -10.492 -3.841 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.759 -9.650 -6.027 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.226 -11.966 -5.770 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.241 -12.416 -4.357 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.504 -11.521 -5.707 1.00 0.00 H new ATOM 1214 N PRO A 83 3.181 -11.352 -2.253 1.00 0.00 N ATOM 1215 CA PRO A 83 2.823 -12.352 -1.242 1.00 0.00 C ATOM 1216 C PRO A 83 3.377 -13.734 -1.571 1.00 0.00 C ATOM 1217 O PRO A 83 3.494 -14.105 -2.739 1.00 0.00 O ATOM 1218 CB PRO A 83 1.293 -12.365 -1.283 1.00 0.00 C ATOM 1219 CG PRO A 83 0.947 -11.900 -2.656 1.00 0.00 C ATOM 1220 CD PRO A 83 2.017 -10.917 -3.042 1.00 0.00 C ATOM 0 HA PRO A 83 3.235 -12.107 -0.263 1.00 0.00 H new ATOM 0 HB2 PRO A 83 0.900 -13.364 -1.093 1.00 0.00 H new ATOM 0 HB3 PRO A 83 0.871 -11.706 -0.524 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.915 -12.736 -3.355 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -0.037 -11.432 -2.673 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.223 -10.947 -4.112 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.728 -9.894 -2.801 1.00 0.00 H new ATOM 1228 N LYS A 84 3.716 -14.492 -0.534 1.00 0.00 N ATOM 1229 CA LYS A 84 4.256 -15.835 -0.712 1.00 0.00 C ATOM 1230 C LYS A 84 3.159 -16.886 -0.573 1.00 0.00 C ATOM 1231 O LYS A 84 3.115 -17.853 -1.332 1.00 0.00 O ATOM 1232 CB LYS A 84 5.364 -16.101 0.309 1.00 0.00 C ATOM 1233 CG LYS A 84 6.513 -15.110 0.232 1.00 0.00 C ATOM 1234 CD LYS A 84 7.328 -15.100 1.515 1.00 0.00 C ATOM 1235 CE LYS A 84 8.212 -13.865 1.604 1.00 0.00 C ATOM 1236 NZ LYS A 84 9.244 -13.998 2.669 1.00 0.00 N ATOM 0 H LYS A 84 3.626 -14.199 0.439 1.00 0.00 H new ATOM 0 HA LYS A 84 4.673 -15.901 -1.717 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.937 -16.072 1.312 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.753 -17.108 0.157 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.159 -15.365 -0.608 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.121 -14.111 0.041 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.657 -15.131 2.374 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.947 -15.996 1.561 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.700 -13.698 0.644 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.594 -12.990 1.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 9.520 -13.053 3.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.856 -14.548 3.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 10.078 -14.486 2.285 1.00 0.00 H new ATOM 1250 N GLU A 85 2.276 -16.687 0.400 1.00 0.00 N ATOM 1251 CA GLU A 85 1.179 -17.618 0.637 1.00 0.00 C ATOM 1252 C GLU A 85 -0.169 -16.920 0.485 1.00 0.00 C ATOM 1253 O GLU A 85 -0.300 -15.715 0.697 1.00 0.00 O ATOM 1254 CB GLU A 85 1.294 -18.232 2.034 1.00 0.00 C ATOM 1255 CG GLU A 85 2.569 -19.030 2.246 1.00 0.00 C ATOM 1256 CD GLU A 85 2.460 -20.011 3.397 1.00 0.00 C ATOM 1257 OE1 GLU A 85 1.594 -20.909 3.329 1.00 0.00 O ATOM 1258 OE2 GLU A 85 3.238 -19.881 4.364 1.00 0.00 O ATOM 0 H GLU A 85 2.299 -15.890 1.036 1.00 0.00 H new ATOM 0 HA GLU A 85 1.243 -18.412 -0.107 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.246 -17.435 2.777 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.436 -18.881 2.208 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.809 -19.573 1.332 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.395 -18.344 2.435 1.00 0.00 H new ATOM 1265 N PRO A 86 -1.197 -17.696 0.109 1.00 0.00 N ATOM 1266 CA PRO A 86 -2.554 -17.174 -0.080 1.00 0.00 C ATOM 1267 C PRO A 86 -3.210 -16.775 1.237 1.00 0.00 C ATOM 1268 O PRO A 86 -2.677 -17.040 2.314 1.00 0.00 O ATOM 1269 CB PRO A 86 -3.301 -18.351 -0.714 1.00 0.00 C ATOM 1270 CG PRO A 86 -2.555 -19.559 -0.265 1.00 0.00 C ATOM 1271 CD PRO A 86 -1.114 -19.141 -0.160 1.00 0.00 C ATOM 0 HA PRO A 86 -2.562 -16.269 -0.687 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.340 -18.383 -0.386 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.312 -18.274 -1.801 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.929 -19.914 0.695 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.673 -20.377 -0.976 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.599 -19.670 0.642 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.567 -19.348 -1.080 1.00 0.00 H new ATOM 1279 N GLY A 87 -4.372 -16.134 1.144 1.00 0.00 N ATOM 1280 CA GLY A 87 -5.082 -15.709 2.337 1.00 0.00 C ATOM 1281 C GLY A 87 -5.322 -14.213 2.365 1.00 0.00 C ATOM 1282 O GLY A 87 -5.034 -13.511 1.395 1.00 0.00 O ATOM 0 H GLY A 87 -4.834 -15.902 0.265 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.039 -16.229 2.392 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.511 -15.999 3.219 1.00 0.00 H new ATOM 1286 N VAL A 88 -5.853 -13.721 3.480 1.00 0.00 N ATOM 1287 CA VAL A 88 -6.133 -12.298 3.631 1.00 0.00 C ATOM 1288 C VAL A 88 -4.955 -11.571 4.270 1.00 0.00 C ATOM 1289 O VAL A 88 -4.328 -12.080 5.200 1.00 0.00 O ATOM 1290 CB VAL A 88 -7.392 -12.061 4.486 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -7.171 -12.548 5.910 1.00 0.00 C ATOM 1292 CG2 VAL A 88 -7.777 -10.590 4.470 1.00 0.00 C ATOM 0 H VAL A 88 -6.098 -14.287 4.292 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.302 -11.901 2.630 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.215 -12.633 4.056 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.071 -12.372 6.499 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.947 -13.615 5.899 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.336 -12.007 6.354 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.669 -10.441 5.079 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.958 -9.995 4.874 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.981 -10.278 3.446 1.00 0.00 H new ATOM 1302 N TYR A 89 -4.659 -10.379 3.765 1.00 0.00 N ATOM 1303 CA TYR A 89 -3.554 -9.582 4.285 1.00 0.00 C ATOM 1304 C TYR A 89 -4.008 -8.158 4.594 1.00 0.00 C ATOM 1305 O TYR A 89 -5.085 -7.732 4.177 1.00 0.00 O ATOM 1306 CB TYR A 89 -2.400 -9.555 3.281 1.00 0.00 C ATOM 1307 CG TYR A 89 -1.687 -10.881 3.144 1.00 0.00 C ATOM 1308 CD1 TYR A 89 -2.361 -12.012 2.698 1.00 0.00 C ATOM 1309 CD2 TYR A 89 -0.339 -11.003 3.458 1.00 0.00 C ATOM 1310 CE1 TYR A 89 -1.713 -13.225 2.572 1.00 0.00 C ATOM 1311 CE2 TYR A 89 0.317 -12.212 3.333 1.00 0.00 C ATOM 1312 CZ TYR A 89 -0.374 -13.321 2.890 1.00 0.00 C ATOM 1313 OH TYR A 89 0.275 -14.527 2.764 1.00 0.00 O ATOM 0 H TYR A 89 -5.168 -9.943 2.996 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.210 -10.044 5.211 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.785 -9.256 2.306 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -1.681 -8.795 3.587 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.409 -11.941 2.446 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.205 -10.137 3.806 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -2.252 -14.095 2.226 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.365 -12.289 3.581 1.00 0.00 H new ATOM 0 HH TYR A 89 -0.271 -15.137 2.225 1.00 0.00 H new ATOM 1323 N THR A 90 -3.176 -7.425 5.328 1.00 0.00 N ATOM 1324 CA THR A 90 -3.489 -6.049 5.693 1.00 0.00 C ATOM 1325 C THR A 90 -2.355 -5.106 5.310 1.00 0.00 C ATOM 1326 O THR A 90 -1.294 -5.108 5.934 1.00 0.00 O ATOM 1327 CB THR A 90 -3.762 -5.918 7.204 1.00 0.00 C ATOM 1328 OG1 THR A 90 -4.658 -6.951 7.631 1.00 0.00 O ATOM 1329 CG2 THR A 90 -4.358 -4.557 7.530 1.00 0.00 C ATOM 0 H THR A 90 -2.280 -7.762 5.681 1.00 0.00 H new ATOM 0 HA THR A 90 -4.388 -5.773 5.142 1.00 0.00 H new ATOM 0 HB THR A 90 -2.814 -6.018 7.732 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.825 -6.862 8.593 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.542 -4.488 8.602 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.662 -3.774 7.230 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.298 -4.433 6.992 1.00 0.00 H new ATOM 1337 N VAL A 91 -2.585 -4.300 4.279 1.00 0.00 N ATOM 1338 CA VAL A 91 -1.582 -3.349 3.813 1.00 0.00 C ATOM 1339 C VAL A 91 -1.574 -2.092 4.675 1.00 0.00 C ATOM 1340 O VAL A 91 -2.529 -1.315 4.667 1.00 0.00 O ATOM 1341 CB VAL A 91 -1.826 -2.950 2.345 1.00 0.00 C ATOM 1342 CG1 VAL A 91 -0.808 -1.913 1.897 1.00 0.00 C ATOM 1343 CG2 VAL A 91 -1.782 -4.176 1.446 1.00 0.00 C ATOM 0 H VAL A 91 -3.457 -4.286 3.750 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.615 -3.846 3.891 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.819 -2.506 2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.996 -1.644 0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.893 -1.025 2.523 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.197 -2.326 1.988 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.956 -3.876 0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.804 -4.651 1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.554 -4.881 1.754 1.00 0.00 H new ATOM 1353 N TRP A 92 -0.490 -1.898 5.417 1.00 0.00 N ATOM 1354 CA TRP A 92 -0.358 -0.734 6.286 1.00 0.00 C ATOM 1355 C TRP A 92 0.343 0.410 5.560 1.00 0.00 C ATOM 1356 O TRP A 92 1.553 0.370 5.341 1.00 0.00 O ATOM 1357 CB TRP A 92 0.418 -1.102 7.551 1.00 0.00 C ATOM 1358 CG TRP A 92 -0.411 -1.827 8.567 1.00 0.00 C ATOM 1359 CD1 TRP A 92 -1.298 -2.839 8.330 1.00 0.00 C ATOM 1360 CD2 TRP A 92 -0.433 -1.595 9.980 1.00 0.00 C ATOM 1361 NE1 TRP A 92 -1.869 -3.250 9.510 1.00 0.00 N ATOM 1362 CE2 TRP A 92 -1.355 -2.503 10.537 1.00 0.00 C ATOM 1363 CE3 TRP A 92 0.238 -0.711 10.828 1.00 0.00 C ATOM 1364 CZ2 TRP A 92 -1.621 -2.549 11.903 1.00 0.00 C ATOM 1365 CZ3 TRP A 92 -0.028 -0.758 12.184 1.00 0.00 C ATOM 1366 CH2 TRP A 92 -0.950 -1.672 12.710 1.00 0.00 C ATOM 0 H TRP A 92 0.310 -2.531 5.435 1.00 0.00 H new ATOM 0 HA TRP A 92 -1.359 -0.404 6.565 1.00 0.00 H new ATOM 0 HB2 TRP A 92 1.270 -1.724 7.278 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.818 -0.193 8.001 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -1.518 -3.255 7.358 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -2.563 -3.991 9.606 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.952 -0.004 10.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -2.332 -3.252 12.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.484 -0.078 12.849 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -1.135 -1.684 13.774 1.00 0.00 H new ATOM 1377 N VAL A 93 -0.427 1.429 5.189 1.00 0.00 N ATOM 1378 CA VAL A 93 0.121 2.584 4.488 1.00 0.00 C ATOM 1379 C VAL A 93 -0.144 3.871 5.261 1.00 0.00 C ATOM 1380 O VAL A 93 -1.275 4.355 5.312 1.00 0.00 O ATOM 1381 CB VAL A 93 -0.473 2.716 3.073 1.00 0.00 C ATOM 1382 CG1 VAL A 93 0.132 3.909 2.349 1.00 0.00 C ATOM 1383 CG2 VAL A 93 -0.256 1.435 2.283 1.00 0.00 C ATOM 0 H VAL A 93 -1.431 1.478 5.362 1.00 0.00 H new ATOM 0 HA VAL A 93 1.196 2.426 4.408 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.546 2.883 3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.300 3.986 1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.081 4.820 2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.211 3.777 2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.682 1.546 1.286 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.812 1.235 2.201 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.743 0.605 2.795 1.00 0.00 H new ATOM 1393 N CYS A 94 0.906 4.421 5.861 1.00 0.00 N ATOM 1394 CA CYS A 94 0.788 5.653 6.632 1.00 0.00 C ATOM 1395 C CYS A 94 1.893 6.636 6.261 1.00 0.00 C ATOM 1396 O CYS A 94 2.935 6.243 5.735 1.00 0.00 O ATOM 1397 CB CYS A 94 0.841 5.349 8.130 1.00 0.00 C ATOM 1398 SG CYS A 94 -0.435 4.200 8.696 1.00 0.00 S ATOM 0 H CYS A 94 1.849 4.033 5.828 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.173 6.109 6.395 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.820 4.935 8.371 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.745 6.283 8.683 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.306 4.004 9.975 1.00 0.00 H new ATOM 1404 N ILE A 95 1.658 7.915 6.536 1.00 0.00 N ATOM 1405 CA ILE A 95 2.634 8.953 6.230 1.00 0.00 C ATOM 1406 C ILE A 95 2.903 9.831 7.448 1.00 0.00 C ATOM 1407 O ILE A 95 1.998 10.480 7.972 1.00 0.00 O ATOM 1408 CB ILE A 95 2.163 9.843 5.065 1.00 0.00 C ATOM 1409 CG1 ILE A 95 2.088 9.029 3.771 1.00 0.00 C ATOM 1410 CG2 ILE A 95 3.096 11.032 4.895 1.00 0.00 C ATOM 1411 CD1 ILE A 95 1.276 9.697 2.683 1.00 0.00 C ATOM 0 H ILE A 95 0.800 8.257 6.970 1.00 0.00 H new ATOM 0 HA ILE A 95 3.554 8.445 5.940 1.00 0.00 H new ATOM 0 HB ILE A 95 1.166 10.219 5.295 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.099 8.853 3.403 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.654 8.053 3.990 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.749 11.651 4.068 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.104 11.622 5.811 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.104 10.676 4.684 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.266 9.064 1.796 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.255 9.848 3.032 1.00 0.00 H new ATOM 0 HD13 ILE A 95 1.722 10.661 2.436 1.00 0.00 H new ATOM 1423 N LYS A 96 4.155 9.847 7.894 1.00 0.00 N ATOM 1424 CA LYS A 96 4.546 10.647 9.048 1.00 0.00 C ATOM 1425 C LYS A 96 3.802 10.195 10.301 1.00 0.00 C ATOM 1426 O LYS A 96 3.317 11.018 11.075 1.00 0.00 O ATOM 1427 CB LYS A 96 4.270 12.129 8.785 1.00 0.00 C ATOM 1428 CG LYS A 96 5.152 12.729 7.703 1.00 0.00 C ATOM 1429 CD LYS A 96 5.172 14.246 7.778 1.00 0.00 C ATOM 1430 CE LYS A 96 6.055 14.846 6.694 1.00 0.00 C ATOM 1431 NZ LYS A 96 7.500 14.760 7.045 1.00 0.00 N ATOM 0 H LYS A 96 4.916 9.314 7.473 1.00 0.00 H new ATOM 0 HA LYS A 96 5.615 10.506 9.210 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.225 12.250 8.499 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.414 12.687 9.710 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.167 12.345 7.805 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.791 12.417 6.723 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.157 14.630 7.676 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.534 14.558 8.758 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.878 14.326 5.753 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.781 15.889 6.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.068 15.179 6.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.674 15.278 7.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.768 13.763 7.169 1.00 0.00 H new ATOM 1445 N GLU A 97 3.718 8.882 10.492 1.00 0.00 N ATOM 1446 CA GLU A 97 3.033 8.323 11.652 1.00 0.00 C ATOM 1447 C GLU A 97 1.550 8.680 11.633 1.00 0.00 C ATOM 1448 O GLU A 97 0.972 9.028 12.662 1.00 0.00 O ATOM 1449 CB GLU A 97 3.675 8.830 12.945 1.00 0.00 C ATOM 1450 CG GLU A 97 5.122 8.399 13.116 1.00 0.00 C ATOM 1451 CD GLU A 97 5.269 6.897 13.265 1.00 0.00 C ATOM 1452 OE1 GLU A 97 5.047 6.179 12.268 1.00 0.00 O ATOM 1453 OE2 GLU A 97 5.607 6.441 14.377 1.00 0.00 O ATOM 0 H GLU A 97 4.115 8.187 9.860 1.00 0.00 H new ATOM 0 HA GLU A 97 3.128 7.238 11.609 1.00 0.00 H new ATOM 0 HB2 GLU A 97 3.624 9.919 12.963 1.00 0.00 H new ATOM 0 HB3 GLU A 97 3.095 8.470 13.794 1.00 0.00 H new ATOM 0 HG2 GLU A 97 5.701 8.733 12.255 1.00 0.00 H new ATOM 0 HG3 GLU A 97 5.542 8.890 13.993 1.00 0.00 H new ATOM 1460 N GLN A 98 0.941 8.592 10.454 1.00 0.00 N ATOM 1461 CA GLN A 98 -0.474 8.907 10.301 1.00 0.00 C ATOM 1462 C GLN A 98 -1.104 8.060 9.200 1.00 0.00 C ATOM 1463 O GLN A 98 -0.571 7.963 8.095 1.00 0.00 O ATOM 1464 CB GLN A 98 -0.656 10.393 9.984 1.00 0.00 C ATOM 1465 CG GLN A 98 -0.251 11.312 11.125 1.00 0.00 C ATOM 1466 CD GLN A 98 -0.526 12.772 10.824 1.00 0.00 C ATOM 1467 OE1 GLN A 98 -1.665 13.233 10.911 1.00 0.00 O ATOM 1468 NE2 GLN A 98 0.519 13.510 10.466 1.00 0.00 N ATOM 0 H GLN A 98 1.405 8.305 9.592 1.00 0.00 H new ATOM 0 HA GLN A 98 -0.975 8.679 11.242 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.067 10.642 9.101 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -1.701 10.577 9.733 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.790 11.023 12.028 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.811 11.181 11.332 1.00 0.00 H new ATOM 0 HE21 GLN A 98 1.445 13.087 10.407 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.395 14.499 10.251 1.00 0.00 H new ATOM 1477 N HIS A 99 -2.243 7.448 9.511 1.00 0.00 N ATOM 1478 CA HIS A 99 -2.946 6.608 8.547 1.00 0.00 C ATOM 1479 C HIS A 99 -3.661 7.461 7.503 1.00 0.00 C ATOM 1480 O HIS A 99 -4.317 8.448 7.837 1.00 0.00 O ATOM 1481 CB HIS A 99 -3.953 5.707 9.264 1.00 0.00 C ATOM 1482 CG HIS A 99 -4.937 6.460 10.105 1.00 0.00 C ATOM 1483 ND1 HIS A 99 -6.235 6.705 9.708 1.00 0.00 N ATOM 1484 CD2 HIS A 99 -4.808 7.021 11.330 1.00 0.00 C ATOM 1485 CE1 HIS A 99 -6.861 7.386 10.651 1.00 0.00 C ATOM 1486 NE2 HIS A 99 -6.017 7.591 11.647 1.00 0.00 N ATOM 0 H HIS A 99 -2.698 7.518 10.421 1.00 0.00 H new ATOM 0 HA HIS A 99 -2.210 5.985 8.039 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.495 5.120 8.523 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.412 5.002 9.895 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -3.920 7.021 11.944 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.888 7.719 10.614 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -6.229 8.091 12.510 1.00 0.00 H new ATOM 1495 N VAL A 100 -3.530 7.073 6.239 1.00 0.00 N ATOM 1496 CA VAL A 100 -4.163 7.801 5.146 1.00 0.00 C ATOM 1497 C VAL A 100 -5.559 7.259 4.861 1.00 0.00 C ATOM 1498 O VAL A 100 -5.955 6.225 5.398 1.00 0.00 O ATOM 1499 CB VAL A 100 -3.322 7.724 3.858 1.00 0.00 C ATOM 1500 CG1 VAL A 100 -1.923 8.270 4.101 1.00 0.00 C ATOM 1501 CG2 VAL A 100 -3.264 6.294 3.345 1.00 0.00 C ATOM 0 H VAL A 100 -2.991 6.258 5.946 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.237 8.842 5.461 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.799 8.340 3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.343 8.208 3.180 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.989 9.311 4.419 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.433 7.683 4.878 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.666 6.258 2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.811 5.654 4.102 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -4.273 5.943 3.130 1.00 0.00 H new ATOM 1511 N GLN A 101 -6.300 7.965 4.013 1.00 0.00 N ATOM 1512 CA GLN A 101 -7.653 7.555 3.657 1.00 0.00 C ATOM 1513 C GLN A 101 -7.676 6.104 3.186 1.00 0.00 C ATOM 1514 O GLN A 101 -6.689 5.599 2.652 1.00 0.00 O ATOM 1515 CB GLN A 101 -8.215 8.467 2.565 1.00 0.00 C ATOM 1516 CG GLN A 101 -9.515 7.962 1.960 1.00 0.00 C ATOM 1517 CD GLN A 101 -9.289 6.956 0.849 1.00 0.00 C ATOM 1518 OE1 GLN A 101 -8.151 6.621 0.521 1.00 0.00 O ATOM 1519 NE2 GLN A 101 -10.376 6.467 0.263 1.00 0.00 N ATOM 0 H GLN A 101 -5.986 8.823 3.560 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.277 7.639 4.547 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.380 9.460 2.982 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.473 8.573 1.774 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -10.121 7.504 2.742 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -10.082 8.807 1.570 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -11.300 6.773 0.567 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -10.286 5.786 -0.491 1.00 0.00 H new ATOM 1528 N GLY A 102 -8.809 5.439 3.388 1.00 0.00 N ATOM 1529 CA GLY A 102 -8.939 4.053 2.978 1.00 0.00 C ATOM 1530 C GLY A 102 -7.711 3.231 3.318 1.00 0.00 C ATOM 1531 O GLY A 102 -7.318 2.347 2.558 1.00 0.00 O ATOM 0 H GLY A 102 -9.639 5.835 3.828 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -9.812 3.614 3.462 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.115 4.010 1.903 1.00 0.00 H new ATOM 1535 N SER A 103 -7.104 3.524 4.464 1.00 0.00 N ATOM 1536 CA SER A 103 -5.910 2.809 4.900 1.00 0.00 C ATOM 1537 C SER A 103 -5.783 2.841 6.420 1.00 0.00 C ATOM 1538 O SER A 103 -6.072 3.845 7.072 1.00 0.00 O ATOM 1539 CB SER A 103 -4.662 3.418 4.259 1.00 0.00 C ATOM 1540 OG SER A 103 -3.571 2.514 4.306 1.00 0.00 O ATOM 0 H SER A 103 -7.419 4.251 5.107 1.00 0.00 H new ATOM 0 HA SER A 103 -6.002 1.770 4.582 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.874 3.683 3.223 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.397 4.340 4.776 1.00 0.00 H new ATOM 0 HG SER A 103 -2.986 2.746 5.058 1.00 0.00 H new ATOM 1546 N PRO A 104 -5.338 1.717 7.000 1.00 0.00 N ATOM 1547 CA PRO A 104 -4.991 0.515 6.235 1.00 0.00 C ATOM 1548 C PRO A 104 -6.217 -0.163 5.633 1.00 0.00 C ATOM 1549 O PRO A 104 -7.353 0.201 5.938 1.00 0.00 O ATOM 1550 CB PRO A 104 -4.336 -0.393 7.279 1.00 0.00 C ATOM 1551 CG PRO A 104 -4.910 0.051 8.580 1.00 0.00 C ATOM 1552 CD PRO A 104 -5.142 1.531 8.448 1.00 0.00 C ATOM 0 HA PRO A 104 -4.347 0.744 5.386 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.558 -1.443 7.086 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -3.251 -0.289 7.269 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -5.842 -0.472 8.794 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.227 -0.165 9.402 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.014 1.853 9.016 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.292 2.106 8.816 1.00 0.00 H new ATOM 1560 N PHE A 105 -5.979 -1.151 4.776 1.00 0.00 N ATOM 1561 CA PHE A 105 -7.065 -1.880 4.131 1.00 0.00 C ATOM 1562 C PHE A 105 -6.767 -3.376 4.091 1.00 0.00 C ATOM 1563 O PHE A 105 -5.661 -3.810 4.415 1.00 0.00 O ATOM 1564 CB PHE A 105 -7.286 -1.355 2.711 1.00 0.00 C ATOM 1565 CG PHE A 105 -6.054 -1.410 1.853 1.00 0.00 C ATOM 1566 CD1 PHE A 105 -5.671 -2.593 1.242 1.00 0.00 C ATOM 1567 CD2 PHE A 105 -5.280 -0.277 1.657 1.00 0.00 C ATOM 1568 CE1 PHE A 105 -4.538 -2.646 0.451 1.00 0.00 C ATOM 1569 CE2 PHE A 105 -4.146 -0.325 0.867 1.00 0.00 C ATOM 1570 CZ PHE A 105 -3.775 -1.511 0.265 1.00 0.00 C ATOM 0 H PHE A 105 -5.045 -1.465 4.512 1.00 0.00 H new ATOM 0 HA PHE A 105 -7.972 -1.723 4.715 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -8.076 -1.937 2.236 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -7.637 -0.324 2.764 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.264 -3.484 1.385 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.566 0.653 2.126 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.251 -3.574 -0.021 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -3.551 0.564 0.721 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.889 -1.550 -0.351 1.00 0.00 H new ATOM 1580 N THR A 106 -7.762 -4.162 3.692 1.00 0.00 N ATOM 1581 CA THR A 106 -7.609 -5.609 3.612 1.00 0.00 C ATOM 1582 C THR A 106 -7.361 -6.056 2.176 1.00 0.00 C ATOM 1583 O THR A 106 -7.746 -5.373 1.227 1.00 0.00 O ATOM 1584 CB THR A 106 -8.853 -6.336 4.156 1.00 0.00 C ATOM 1585 OG1 THR A 106 -9.299 -5.708 5.363 1.00 0.00 O ATOM 1586 CG2 THR A 106 -8.548 -7.802 4.425 1.00 0.00 C ATOM 0 H THR A 106 -8.683 -3.820 3.419 1.00 0.00 H new ATOM 0 HA THR A 106 -6.747 -5.871 4.226 1.00 0.00 H new ATOM 0 HB THR A 106 -9.639 -6.276 3.404 1.00 0.00 H new ATOM 0 HG1 THR A 106 -10.091 -6.175 5.701 1.00 0.00 H new ATOM 0 HG21 THR A 106 -9.441 -8.295 4.809 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.236 -8.285 3.499 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.747 -7.878 5.161 1.00 0.00 H new ATOM 1594 N VAL A 107 -6.715 -7.208 2.023 1.00 0.00 N ATOM 1595 CA VAL A 107 -6.417 -7.748 0.702 1.00 0.00 C ATOM 1596 C VAL A 107 -6.746 -9.235 0.629 1.00 0.00 C ATOM 1597 O VAL A 107 -6.578 -9.968 1.604 1.00 0.00 O ATOM 1598 CB VAL A 107 -4.936 -7.542 0.333 1.00 0.00 C ATOM 1599 CG1 VAL A 107 -4.614 -8.227 -0.986 1.00 0.00 C ATOM 1600 CG2 VAL A 107 -4.605 -6.059 0.268 1.00 0.00 C ATOM 0 H VAL A 107 -6.388 -7.785 2.798 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.040 -7.206 -0.010 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.320 -7.995 1.110 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.563 -8.071 -1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.811 -9.295 -0.899 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.237 -7.807 -1.776 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.555 -5.932 0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.228 -5.580 -0.487 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.795 -5.601 1.239 1.00 0.00 H new ATOM 1610 N THR A 108 -7.215 -9.675 -0.534 1.00 0.00 N ATOM 1611 CA THR A 108 -7.568 -11.075 -0.736 1.00 0.00 C ATOM 1612 C THR A 108 -6.575 -11.765 -1.664 1.00 0.00 C ATOM 1613 O THR A 108 -6.581 -11.539 -2.874 1.00 0.00 O ATOM 1614 CB THR A 108 -8.985 -11.218 -1.321 1.00 0.00 C ATOM 1615 OG1 THR A 108 -9.962 -11.020 -0.293 1.00 0.00 O ATOM 1616 CG2 THR A 108 -9.175 -12.590 -1.950 1.00 0.00 C ATOM 0 H THR A 108 -7.359 -9.082 -1.351 1.00 0.00 H new ATOM 0 HA THR A 108 -7.537 -11.553 0.243 1.00 0.00 H new ATOM 0 HB THR A 108 -9.113 -10.460 -2.094 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.860 -11.111 -0.674 1.00 0.00 H new ATOM 0 HG21 THR A 108 -10.183 -12.667 -2.356 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.449 -12.726 -2.752 1.00 0.00 H new ATOM 0 HG23 THR A 108 -9.029 -13.361 -1.193 1.00 0.00 H new ATOM 1624 N VAL A 109 -5.722 -12.608 -1.090 1.00 0.00 N ATOM 1625 CA VAL A 109 -4.724 -13.332 -1.867 1.00 0.00 C ATOM 1626 C VAL A 109 -5.254 -14.690 -2.313 1.00 0.00 C ATOM 1627 O VAL A 109 -6.016 -15.337 -1.594 1.00 0.00 O ATOM 1628 CB VAL A 109 -3.427 -13.538 -1.062 1.00 0.00 C ATOM 1629 CG1 VAL A 109 -2.372 -14.226 -1.915 1.00 0.00 C ATOM 1630 CG2 VAL A 109 -2.912 -12.209 -0.532 1.00 0.00 C ATOM 0 H VAL A 109 -5.703 -12.806 -0.090 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.505 -12.725 -2.745 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.647 -14.182 -0.210 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.463 -14.363 -1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.744 -15.198 -2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.152 -13.611 -2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.995 -12.374 0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.707 -11.539 -1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.664 -11.760 0.117 1.00 0.00 H new ATOM 1640 N ARG A 110 -4.845 -15.118 -3.503 1.00 0.00 N ATOM 1641 CA ARG A 110 -5.279 -16.399 -4.046 1.00 0.00 C ATOM 1642 C ARG A 110 -4.086 -17.213 -4.540 1.00 0.00 C ATOM 1643 O ARG A 110 -2.935 -16.812 -4.367 1.00 0.00 O ATOM 1644 CB ARG A 110 -6.271 -16.183 -5.189 1.00 0.00 C ATOM 1645 CG ARG A 110 -5.876 -15.061 -6.135 1.00 0.00 C ATOM 1646 CD ARG A 110 -5.040 -15.579 -7.295 1.00 0.00 C ATOM 1647 NE ARG A 110 -5.229 -14.783 -8.505 1.00 0.00 N ATOM 1648 CZ ARG A 110 -5.018 -15.249 -9.731 1.00 0.00 C ATOM 1649 NH1 ARG A 110 -4.613 -16.498 -9.909 1.00 0.00 N ATOM 1650 NH2 ARG A 110 -5.213 -14.463 -10.782 1.00 0.00 N ATOM 0 H ARG A 110 -4.213 -14.596 -4.110 1.00 0.00 H new ATOM 0 HA ARG A 110 -5.771 -16.955 -3.248 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -6.365 -17.109 -5.757 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -7.253 -15.964 -4.770 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -6.773 -14.575 -6.520 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -5.313 -14.304 -5.589 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -3.987 -15.569 -7.015 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -5.306 -16.616 -7.498 1.00 0.00 H new ATOM 0 HE ARG A 110 -5.540 -13.817 -8.403 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.462 -17.105 -9.103 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -4.452 -16.852 -10.852 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -5.525 -13.501 -10.649 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -5.051 -14.821 -11.723 1.00 0.00 H new ATOM 1664 N ARG A 111 -4.370 -18.357 -5.154 1.00 0.00 N ATOM 1665 CA ARG A 111 -3.321 -19.227 -5.671 1.00 0.00 C ATOM 1666 C ARG A 111 -3.053 -18.938 -7.145 1.00 0.00 C ATOM 1667 O ARG A 111 -3.973 -18.645 -7.909 1.00 0.00 O ATOM 1668 CB ARG A 111 -3.712 -20.695 -5.491 1.00 0.00 C ATOM 1669 CG ARG A 111 -3.606 -21.182 -4.055 1.00 0.00 C ATOM 1670 CD ARG A 111 -4.316 -22.512 -3.863 1.00 0.00 C ATOM 1671 NE ARG A 111 -3.755 -23.278 -2.754 1.00 0.00 N ATOM 1672 CZ ARG A 111 -3.928 -22.956 -1.477 1.00 0.00 C ATOM 1673 NH1 ARG A 111 -4.644 -21.889 -1.150 1.00 0.00 N ATOM 1674 NH2 ARG A 111 -3.385 -23.703 -0.524 1.00 0.00 N ATOM 0 H ARG A 111 -5.318 -18.703 -5.305 1.00 0.00 H new ATOM 0 HA ARG A 111 -2.409 -19.029 -5.108 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -4.736 -20.835 -5.838 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -3.074 -21.312 -6.123 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -2.556 -21.286 -3.782 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -4.037 -20.438 -3.385 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -5.376 -22.334 -3.681 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -4.244 -23.097 -4.780 1.00 0.00 H new ATOM 0 HE ARG A 111 -3.200 -24.106 -2.972 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -5.064 -21.313 -1.880 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -4.775 -21.644 -0.169 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -2.834 -24.525 -0.772 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -3.518 -23.455 0.456 1.00 0.00 H new