USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 396 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 51 SER OG : rot -89:sc= 0.0188 USER MOD Set 1.2: A 52 HIS :FLIP no HD1:sc= -5.52! C(o=-6.2!,f=-5.5!) USER MOD Set 2.1: A 33 ASN : amide:sc= -0.73 K(o=-0.73,f=-4.8!) USER MOD Set 2.2: A 36 ASN :FLIP amide:sc= 0 F(o=-1.3,f=-0.73) USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 50:sc= 1.15 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0411 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.11 USER MOD Single : A 28 ASN : amide:sc= -0.377 X(o=-0.38,f=-0.062) USER MOD Single : A 29 LYS NZ :NH3+ 155:sc= 0.602 (180deg=0.0844) USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.35 USER MOD Single : A 31 TYR OH : rot 40:sc= -1.31 USER MOD Single : A 34 LYS NZ :NH3+ 170:sc= -6.52! (180deg=-6.85!) USER MOD Single : A 39 ASN : amide:sc= -4.1! C(o=-4.1!,f=-7.3!) USER MOD Single : A 44 SER OG : rot 80:sc= -1.46 USER MOD Single : A 45 ASN :FLIP amide:sc=-0.00533 F(o=-1.1,f=-0.0053) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.3 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 6.075 19.010 -2.016 1.00 0.00 N ATOM 2 CA LEU A 1 5.195 18.394 -3.025 1.00 0.00 C ATOM 3 C LEU A 1 4.565 17.131 -2.458 1.00 0.00 C ATOM 4 O LEU A 1 5.155 16.050 -2.495 1.00 0.00 O ATOM 5 CB LEU A 1 6.036 18.170 -4.289 1.00 0.00 C ATOM 6 CG LEU A 1 5.401 17.358 -5.406 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.283 18.184 -6.032 1.00 0.00 C ATOM 8 CD2 LEU A 1 6.431 16.983 -6.461 1.00 0.00 C ATOM 0 H1 LEU A 1 6.503 19.873 -2.409 1.00 0.00 H new ATOM 0 H2 LEU A 1 5.518 19.253 -1.172 1.00 0.00 H new ATOM 0 H3 LEU A 1 6.826 18.340 -1.754 1.00 0.00 H new ATOM 0 HA LEU A 1 4.355 19.035 -3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 1 6.308 19.146 -4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 1 6.963 17.676 -3.996 1.00 0.00 H new ATOM 0 HG LEU A 1 4.998 16.433 -4.994 1.00 0.00 H new ATOM 0 HD11 LEU A 1 3.817 17.615 -6.836 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.536 18.419 -5.274 1.00 0.00 H new ATOM 0 HD13 LEU A 1 4.696 19.109 -6.434 1.00 0.00 H new ATOM 0 HD21 LEU A 1 5.950 16.403 -7.249 1.00 0.00 H new ATOM 0 HD22 LEU A 1 6.860 17.889 -6.889 1.00 0.00 H new ATOM 0 HD23 LEU A 1 7.221 16.388 -6.003 1.00 0.00 H new ATOM 22 N ALA A 2 3.294 17.246 -2.083 1.00 0.00 N ATOM 23 CA ALA A 2 2.532 16.102 -1.604 1.00 0.00 C ATOM 24 C ALA A 2 2.267 15.125 -2.748 1.00 0.00 C ATOM 25 O ALA A 2 3.091 14.256 -3.035 1.00 0.00 O ATOM 26 CB ALA A 2 1.227 16.564 -0.965 1.00 0.00 C ATOM 0 H ALA A 2 2.772 18.122 -2.103 1.00 0.00 H new ATOM 0 HA ALA A 2 3.116 15.583 -0.844 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.668 15.697 -0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.447 17.222 -0.124 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.632 17.104 -1.702 1.00 0.00 H new ATOM 32 N ALA A 3 1.265 15.461 -3.555 1.00 0.00 N ATOM 33 CA ALA A 3 1.002 14.737 -4.790 1.00 0.00 C ATOM 34 C ALA A 3 0.667 13.278 -4.488 1.00 0.00 C ATOM 35 O ALA A 3 0.165 12.958 -3.409 1.00 0.00 O ATOM 36 CB ALA A 3 2.196 14.840 -5.732 1.00 0.00 C ATOM 0 H ALA A 3 0.622 16.232 -3.374 1.00 0.00 H new ATOM 0 HA ALA A 3 0.142 15.188 -5.285 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.983 14.293 -6.651 1.00 0.00 H new ATOM 0 HB2 ALA A 3 2.384 15.887 -5.968 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.076 14.413 -5.252 1.00 0.00 H new ATOM 42 N VAL A 4 0.725 12.455 -5.531 1.00 0.00 N ATOM 43 CA VAL A 4 0.178 11.104 -5.466 1.00 0.00 C ATOM 44 C VAL A 4 1.299 10.074 -5.555 1.00 0.00 C ATOM 45 O VAL A 4 1.278 9.184 -6.406 1.00 0.00 O ATOM 46 CB VAL A 4 -0.917 10.918 -6.536 1.00 0.00 C ATOM 47 CG1 VAL A 4 -2.021 11.963 -6.430 1.00 0.00 C ATOM 48 CG2 VAL A 4 -0.331 10.888 -7.938 1.00 0.00 C ATOM 0 H VAL A 4 1.144 12.699 -6.428 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.306 10.947 -4.502 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.374 9.948 -6.340 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.765 11.786 -7.206 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.494 11.894 -5.451 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.594 12.958 -6.557 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.133 10.756 -8.665 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.187 11.826 -8.136 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.374 10.060 -8.020 1.00 0.00 H new ATOM 58 N SER A 5 2.173 10.094 -4.552 1.00 0.00 N ATOM 59 CA SER A 5 3.163 9.039 -4.383 1.00 0.00 C ATOM 60 C SER A 5 3.008 8.381 -3.016 1.00 0.00 C ATOM 61 O SER A 5 1.982 8.543 -2.352 1.00 0.00 O ATOM 62 CB SER A 5 4.579 9.562 -4.587 1.00 0.00 C ATOM 63 OG SER A 5 4.823 10.716 -3.804 1.00 0.00 O ATOM 0 H SER A 5 2.214 10.829 -3.846 1.00 0.00 H new ATOM 0 HA SER A 5 2.987 8.284 -5.150 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.297 8.785 -4.325 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.733 9.796 -5.640 1.00 0.00 H new ATOM 0 HG SER A 5 5.740 11.026 -3.956 1.00 0.00 H new ATOM 69 N VAL A 6 3.918 7.456 -2.720 1.00 0.00 N ATOM 70 CA VAL A 6 3.758 6.560 -1.586 1.00 0.00 C ATOM 71 C VAL A 6 5.124 6.037 -1.126 1.00 0.00 C ATOM 72 O VAL A 6 6.150 6.659 -1.417 1.00 0.00 O ATOM 73 CB VAL A 6 2.755 5.436 -1.904 1.00 0.00 C ATOM 74 CG1 VAL A 6 1.310 5.844 -1.636 1.00 0.00 C ATOM 75 CG2 VAL A 6 2.916 4.916 -3.323 1.00 0.00 C ATOM 0 H VAL A 6 4.775 7.310 -3.254 1.00 0.00 H new ATOM 0 HA VAL A 6 3.332 7.114 -0.750 1.00 0.00 H new ATOM 0 HB VAL A 6 2.991 4.622 -1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.647 5.013 -1.878 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.195 6.106 -0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.054 6.704 -2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.189 4.124 -3.505 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.751 5.730 -4.030 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.923 4.521 -3.454 1.00 0.00 H new ATOM 85 N ASP A 7 5.086 5.141 -0.143 1.00 0.00 N ATOM 86 CA ASP A 7 6.234 4.925 0.741 1.00 0.00 C ATOM 87 C ASP A 7 6.307 3.456 1.150 1.00 0.00 C ATOM 88 O ASP A 7 5.638 3.036 2.098 1.00 0.00 O ATOM 89 CB ASP A 7 6.213 5.903 1.912 1.00 0.00 C ATOM 90 CG ASP A 7 5.744 7.294 1.525 1.00 0.00 C ATOM 91 OD1 ASP A 7 6.586 8.024 0.962 1.00 0.00 O ATOM 92 OD2 ASP A 7 4.581 7.655 1.751 1.00 0.00 O ATOM 0 H ASP A 7 4.278 4.554 0.063 1.00 0.00 H new ATOM 0 HA ASP A 7 7.160 5.140 0.207 1.00 0.00 H new ATOM 0 HB2 ASP A 7 5.560 5.511 2.692 1.00 0.00 H new ATOM 0 HB3 ASP A 7 7.214 5.970 2.338 1.00 0.00 H new ATOM 97 N CYS A 8 6.860 2.647 0.251 1.00 0.00 N ATOM 98 CA CYS A 8 6.732 1.197 0.339 1.00 0.00 C ATOM 99 C CYS A 8 8.108 0.545 0.319 1.00 0.00 C ATOM 100 O CYS A 8 8.322 -0.495 -0.300 1.00 0.00 O ATOM 101 CB CYS A 8 5.822 0.661 -0.765 1.00 0.00 C ATOM 102 SG CYS A 8 4.166 1.387 -0.785 1.00 0.00 S ATOM 0 H CYS A 8 7.403 2.973 -0.549 1.00 0.00 H new ATOM 0 HA CYS A 8 6.260 0.940 1.288 1.00 0.00 H new ATOM 0 HB2 CYS A 8 6.296 0.841 -1.730 1.00 0.00 H new ATOM 0 HB3 CYS A 8 5.731 -0.419 -0.652 1.00 0.00 H new ATOM 107 N SER A 9 8.999 1.085 1.153 1.00 0.00 N ATOM 108 CA SER A 9 10.383 0.622 1.172 1.00 0.00 C ATOM 109 C SER A 9 10.577 -0.412 2.276 1.00 0.00 C ATOM 110 O SER A 9 11.205 -0.152 3.303 1.00 0.00 O ATOM 111 CB SER A 9 11.359 1.780 1.291 1.00 0.00 C ATOM 112 OG SER A 9 11.346 2.344 2.590 1.00 0.00 O ATOM 0 H SER A 9 8.789 1.833 1.814 1.00 0.00 H new ATOM 0 HA SER A 9 10.598 0.138 0.220 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.365 1.434 1.055 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.105 2.547 0.559 1.00 0.00 H new ATOM 0 HG SER A 9 11.435 1.631 3.257 1.00 0.00 H new ATOM 118 N GLU A 10 9.746 -1.459 2.199 1.00 0.00 N ATOM 119 CA GLU A 10 9.713 -2.486 3.229 1.00 0.00 C ATOM 120 C GLU A 10 8.795 -3.631 2.786 1.00 0.00 C ATOM 121 O GLU A 10 9.151 -4.803 2.929 1.00 0.00 O ATOM 122 CB GLU A 10 9.199 -1.841 4.521 1.00 0.00 C ATOM 123 CG GLU A 10 9.526 -2.285 5.830 1.00 0.00 C ATOM 124 CD GLU A 10 10.337 -1.356 6.683 1.00 0.00 C ATOM 125 OE1 GLU A 10 10.140 -0.157 6.769 1.00 0.00 O ATOM 126 OE2 GLU A 10 11.210 -1.962 7.342 1.00 0.00 O ATOM 0 H GLU A 10 9.091 -1.611 1.432 1.00 0.00 H new ATOM 0 HA GLU A 10 10.707 -2.900 3.397 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.498 -0.794 4.475 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.111 -1.865 4.458 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.596 -2.502 6.356 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.070 -3.226 5.742 1.00 0.00 H new ATOM 133 N TYR A 11 7.875 -3.277 1.887 1.00 0.00 N ATOM 134 CA TYR A 11 7.053 -4.258 1.199 1.00 0.00 C ATOM 135 C TYR A 11 7.930 -5.230 0.404 1.00 0.00 C ATOM 136 O TYR A 11 9.007 -4.834 -0.063 1.00 0.00 O ATOM 137 CB TYR A 11 6.035 -3.564 0.267 1.00 0.00 C ATOM 138 CG TYR A 11 4.962 -2.787 0.993 1.00 0.00 C ATOM 139 CD1 TYR A 11 5.235 -1.518 1.508 1.00 0.00 C ATOM 140 CD2 TYR A 11 3.703 -3.339 1.242 1.00 0.00 C ATOM 141 CE1 TYR A 11 4.244 -0.764 2.130 1.00 0.00 C ATOM 142 CE2 TYR A 11 2.717 -2.618 1.911 1.00 0.00 C ATOM 143 CZ TYR A 11 2.996 -1.327 2.357 1.00 0.00 C ATOM 144 OH TYR A 11 2.059 -0.571 3.004 1.00 0.00 O ATOM 0 H TYR A 11 7.684 -2.311 1.621 1.00 0.00 H new ATOM 0 HA TYR A 11 6.499 -4.824 1.948 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.571 -2.887 -0.398 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.560 -4.318 -0.360 1.00 0.00 H new ATOM 0 HD1 TYR A 11 6.233 -1.114 1.422 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.490 -4.344 0.909 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.445 0.253 2.434 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.745 -3.055 2.083 1.00 0.00 H new ATOM 0 HH TYR A 11 1.230 -1.086 3.096 1.00 0.00 H new ATOM 154 N PRO A 12 7.411 -6.404 0.014 1.00 0.00 N ATOM 155 CA PRO A 12 6.031 -6.802 0.321 1.00 0.00 C ATOM 156 C PRO A 12 5.952 -7.248 1.772 1.00 0.00 C ATOM 157 O PRO A 12 6.973 -7.495 2.418 1.00 0.00 O ATOM 158 CB PRO A 12 5.851 -7.792 -0.823 1.00 0.00 C ATOM 159 CG PRO A 12 7.247 -8.231 -1.241 1.00 0.00 C ATOM 160 CD PRO A 12 8.253 -7.478 -0.392 1.00 0.00 C ATOM 0 HA PRO A 12 5.210 -6.085 0.327 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.255 -8.647 -0.505 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.324 -7.329 -1.657 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.364 -9.306 -1.106 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.410 -8.023 -2.298 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.625 -8.066 0.447 1.00 0.00 H new ATOM 0 HD3 PRO A 12 9.122 -7.145 -0.959 1.00 0.00 H new ATOM 168 N LYS A 13 4.746 -7.175 2.335 1.00 0.00 N ATOM 169 CA LYS A 13 4.580 -7.239 3.786 1.00 0.00 C ATOM 170 C LYS A 13 3.926 -8.559 4.182 1.00 0.00 C ATOM 171 O LYS A 13 3.194 -9.148 3.382 1.00 0.00 O ATOM 172 CB LYS A 13 3.732 -6.080 4.308 1.00 0.00 C ATOM 173 CG LYS A 13 4.477 -4.746 4.375 1.00 0.00 C ATOM 174 CD LYS A 13 3.900 -3.792 5.403 1.00 0.00 C ATOM 175 CE LYS A 13 4.732 -3.604 6.606 1.00 0.00 C ATOM 176 NZ LYS A 13 4.519 -4.666 7.598 1.00 0.00 N ATOM 0 H LYS A 13 3.876 -7.072 1.813 1.00 0.00 H new ATOM 0 HA LYS A 13 5.572 -7.167 4.232 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.858 -5.965 3.667 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.366 -6.331 5.304 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.525 -4.933 4.610 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.450 -4.272 3.394 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.744 -2.822 4.931 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.920 -4.159 5.709 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.783 -3.582 6.319 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.504 -2.638 7.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.124 -4.494 8.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.522 -4.671 7.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.761 -5.586 7.179 1.00 0.00 H new ATOM 190 N PRO A 14 3.985 -8.960 5.482 1.00 0.00 N ATOM 191 CA PRO A 14 3.312 -10.164 5.958 1.00 0.00 C ATOM 192 C PRO A 14 1.815 -10.097 5.625 1.00 0.00 C ATOM 193 O PRO A 14 1.273 -11.050 5.055 1.00 0.00 O ATOM 194 CB PRO A 14 3.745 -10.153 7.417 1.00 0.00 C ATOM 195 CG PRO A 14 4.721 -9.002 7.581 1.00 0.00 C ATOM 196 CD PRO A 14 5.195 -8.627 6.193 1.00 0.00 C ATOM 0 HA PRO A 14 3.563 -11.122 5.503 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.884 -10.026 8.074 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.215 -11.099 7.687 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.239 -8.154 8.067 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.561 -9.295 8.210 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.467 -7.575 6.104 1.00 0.00 H new ATOM 0 HD3 PRO A 14 6.057 -9.208 5.865 1.00 0.00 H new ATOM 204 N ALA A 15 1.118 -9.195 6.316 1.00 0.00 N ATOM 205 CA ALA A 15 -0.315 -9.352 6.562 1.00 0.00 C ATOM 206 C ALA A 15 -1.112 -8.351 5.723 1.00 0.00 C ATOM 207 O ALA A 15 -1.385 -7.237 6.186 1.00 0.00 O ATOM 208 CB ALA A 15 -0.615 -9.183 8.046 1.00 0.00 C ATOM 0 H ALA A 15 1.523 -8.348 6.715 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.617 -10.357 6.265 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.685 -9.302 8.217 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.071 -9.936 8.615 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.304 -8.189 8.369 1.00 0.00 H new ATOM 214 N CYS A 16 -1.779 -8.871 4.695 1.00 0.00 N ATOM 215 CA CYS A 16 -2.948 -8.208 4.116 1.00 0.00 C ATOM 216 C CYS A 16 -3.905 -9.264 3.550 1.00 0.00 C ATOM 217 O CYS A 16 -3.458 -10.306 3.063 1.00 0.00 O ATOM 218 CB CYS A 16 -2.544 -7.199 3.053 1.00 0.00 C ATOM 219 SG CYS A 16 -2.200 -5.532 3.666 1.00 0.00 S ATOM 0 H CYS A 16 -1.530 -9.751 4.244 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.461 -7.651 4.900 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.657 -7.571 2.540 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.340 -7.139 2.310 1.00 0.00 H new ATOM 224 N THR A 17 -5.165 -9.153 3.965 1.00 0.00 N ATOM 225 CA THR A 17 -6.129 -10.231 3.792 1.00 0.00 C ATOM 226 C THR A 17 -7.063 -9.928 2.625 1.00 0.00 C ATOM 227 O THR A 17 -7.505 -8.791 2.448 1.00 0.00 O ATOM 228 CB THR A 17 -6.959 -10.493 5.118 1.00 0.00 C ATOM 229 OG1 THR A 17 -6.967 -9.225 5.846 1.00 0.00 O ATOM 230 CG2 THR A 17 -6.416 -11.641 5.968 1.00 0.00 C ATOM 0 H THR A 17 -5.541 -8.324 4.425 1.00 0.00 H new ATOM 0 HA THR A 17 -5.572 -11.141 3.569 1.00 0.00 H new ATOM 0 HB THR A 17 -7.968 -10.818 4.866 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.472 -9.330 6.680 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.035 -11.760 6.857 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.434 -12.563 5.388 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.391 -11.420 6.266 1.00 0.00 H new ATOM 238 N LEU A 18 -7.164 -10.891 1.712 1.00 0.00 N ATOM 239 CA LEU A 18 -7.812 -10.660 0.428 1.00 0.00 C ATOM 240 C LEU A 18 -9.042 -11.552 0.287 1.00 0.00 C ATOM 241 O LEU A 18 -9.619 -11.629 -0.809 1.00 0.00 O ATOM 242 CB LEU A 18 -6.763 -10.871 -0.675 1.00 0.00 C ATOM 243 CG LEU A 18 -5.341 -10.438 -0.364 1.00 0.00 C ATOM 244 CD1 LEU A 18 -4.436 -10.620 -1.574 1.00 0.00 C ATOM 245 CD2 LEU A 18 -5.357 -8.974 0.063 1.00 0.00 C ATOM 0 H LEU A 18 -6.805 -11.837 1.839 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.185 -9.639 0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.747 -11.931 -0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.094 -10.335 -1.565 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.947 -11.059 0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.424 -10.302 -1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.425 -11.670 -1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.810 -10.018 -2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.341 -8.650 0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.761 -8.364 -0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.980 -8.860 0.950 1.00 0.00 H new ATOM 257 N GLU A 19 -7.016 -3.788 3.670 1.00 0.00 N ATOM 258 CA GLU A 19 -8.369 -4.165 3.224 1.00 0.00 C ATOM 259 C GLU A 19 -8.562 -3.753 1.771 1.00 0.00 C ATOM 260 O GLU A 19 -7.616 -3.753 0.982 1.00 0.00 O ATOM 261 CB GLU A 19 -9.360 -3.461 4.152 1.00 0.00 C ATOM 262 CG GLU A 19 -9.410 -2.058 4.369 1.00 0.00 C ATOM 263 CD GLU A 19 -10.443 -1.552 5.332 1.00 0.00 C ATOM 264 OE1 GLU A 19 -11.572 -2.002 5.425 1.00 0.00 O ATOM 265 OE2 GLU A 19 -9.992 -0.660 6.083 1.00 0.00 O ATOM 0 HA GLU A 19 -8.526 -5.243 3.273 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.353 -3.747 3.804 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.224 -3.913 5.135 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.431 -1.735 4.723 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.577 -1.573 3.407 1.00 0.00 H new ATOM 271 N TYR A 20 -9.824 -3.587 1.384 1.00 0.00 N ATOM 272 CA TYR A 20 -10.178 -3.471 -0.029 1.00 0.00 C ATOM 273 C TYR A 20 -9.522 -2.209 -0.615 1.00 0.00 C ATOM 274 O TYR A 20 -9.260 -2.195 -1.834 1.00 0.00 O ATOM 275 CB TYR A 20 -11.695 -3.478 -0.229 1.00 0.00 C ATOM 276 CG TYR A 20 -12.173 -3.091 -1.635 1.00 0.00 C ATOM 277 CD1 TYR A 20 -11.779 -3.880 -2.720 1.00 0.00 C ATOM 278 CD2 TYR A 20 -12.523 -1.759 -1.899 1.00 0.00 C ATOM 279 CE1 TYR A 20 -11.919 -3.434 -4.030 1.00 0.00 C ATOM 280 CE2 TYR A 20 -12.679 -1.296 -3.206 1.00 0.00 C ATOM 281 CZ TYR A 20 -12.369 -2.143 -4.270 1.00 0.00 C ATOM 282 OH TYR A 20 -12.500 -1.741 -5.569 1.00 0.00 O ATOM 0 H TYR A 20 -10.615 -3.530 2.025 1.00 0.00 H new ATOM 0 HA TYR A 20 -9.797 -4.340 -0.566 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -12.071 -4.474 0.003 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -12.143 -2.793 0.491 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -11.357 -4.857 -2.537 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -12.675 -1.078 -1.075 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -11.679 -4.088 -4.855 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -13.036 -0.294 -3.392 1.00 0.00 H new ATOM 0 HH TYR A 20 -12.825 -0.817 -5.594 1.00 0.00 H new ATOM 292 N ARG A 21 -9.753 -1.073 0.046 1.00 0.00 N ATOM 293 CA ARG A 21 -9.860 0.223 -0.615 1.00 0.00 C ATOM 294 C ARG A 21 -8.617 0.505 -1.477 1.00 0.00 C ATOM 295 O ARG A 21 -7.582 -0.136 -1.255 1.00 0.00 O ATOM 296 CB ARG A 21 -10.069 1.365 0.378 1.00 0.00 C ATOM 297 CG ARG A 21 -9.118 1.368 1.566 1.00 0.00 C ATOM 298 CD ARG A 21 -9.763 1.918 2.790 1.00 0.00 C ATOM 299 NE ARG A 21 -10.916 1.130 3.206 1.00 0.00 N ATOM 300 CZ ARG A 21 -12.176 1.490 2.950 1.00 0.00 C ATOM 301 NH1 ARG A 21 -12.458 2.478 2.106 1.00 0.00 N ATOM 302 NH2 ARG A 21 -13.175 0.796 3.497 1.00 0.00 N ATOM 0 H ARG A 21 -9.871 -1.029 1.058 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.740 0.173 -1.257 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.966 2.311 -0.153 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -11.092 1.319 0.751 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.777 0.351 1.761 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.235 1.960 1.323 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.034 1.948 3.600 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.075 2.945 2.604 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.753 0.262 3.717 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.703 2.980 1.638 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.429 2.734 1.927 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.972 0.001 4.103 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.142 1.060 3.310 1.00 0.00 H new ATOM 316 N PRO A 22 -8.743 1.135 -2.652 1.00 0.00 N ATOM 317 CA PRO A 22 -7.931 0.795 -3.854 1.00 0.00 C ATOM 318 C PRO A 22 -7.129 2.014 -4.266 1.00 0.00 C ATOM 319 O PRO A 22 -7.386 3.131 -3.804 1.00 0.00 O ATOM 320 CB PRO A 22 -9.112 0.305 -4.693 1.00 0.00 C ATOM 321 CG PRO A 22 -10.316 1.109 -4.218 1.00 0.00 C ATOM 322 CD PRO A 22 -9.904 1.872 -2.963 1.00 0.00 C ATOM 0 HA PRO A 22 -7.122 0.065 -3.840 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -8.930 0.464 -5.756 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -9.275 -0.764 -4.553 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -10.644 1.800 -4.994 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -11.156 0.448 -4.004 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -9.700 2.925 -3.155 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -10.656 1.831 -2.175 1.00 0.00 H new ATOM 330 N LEU A 23 -6.360 1.858 -5.345 1.00 0.00 N ATOM 331 CA LEU A 23 -5.830 2.992 -6.090 1.00 0.00 C ATOM 332 C LEU A 23 -5.844 2.685 -7.589 1.00 0.00 C ATOM 333 O LEU A 23 -6.336 1.633 -8.006 1.00 0.00 O ATOM 334 CB LEU A 23 -4.433 3.315 -5.541 1.00 0.00 C ATOM 335 CG LEU A 23 -4.200 3.084 -4.059 1.00 0.00 C ATOM 336 CD1 LEU A 23 -3.716 1.664 -3.797 1.00 0.00 C ATOM 337 CD2 LEU A 23 -3.169 4.089 -3.557 1.00 0.00 C ATOM 0 H LEU A 23 -6.091 0.949 -5.721 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.450 3.879 -5.962 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.707 2.720 -6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.218 4.361 -5.758 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.142 3.220 -3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.557 1.525 -2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.465 0.954 -4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.779 1.495 -4.328 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.995 3.931 -2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.234 3.954 -4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.540 5.101 -3.717 1.00 0.00 H new ATOM 349 N CYS A 24 -5.098 3.483 -8.347 1.00 0.00 N ATOM 350 CA CYS A 24 -4.635 3.049 -9.674 1.00 0.00 C ATOM 351 C CYS A 24 -3.117 3.186 -9.740 1.00 0.00 C ATOM 352 O CYS A 24 -2.544 4.121 -9.178 1.00 0.00 O ATOM 353 CB CYS A 24 -5.340 3.830 -10.773 1.00 0.00 C ATOM 354 SG CYS A 24 -5.061 3.223 -12.454 1.00 0.00 S ATOM 0 H CYS A 24 -4.801 4.421 -8.077 1.00 0.00 H new ATOM 0 HA CYS A 24 -4.888 2.001 -9.833 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.412 3.819 -10.574 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.017 4.870 -10.722 1.00 0.00 H new ATOM 359 N GLY A 25 -2.474 2.078 -10.118 1.00 0.00 N ATOM 360 CA GLY A 25 -1.021 2.067 -10.242 1.00 0.00 C ATOM 361 C GLY A 25 -0.609 2.571 -11.625 1.00 0.00 C ATOM 362 O GLY A 25 -1.461 2.758 -12.499 1.00 0.00 O ATOM 0 H GLY A 25 -2.930 1.193 -10.339 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.577 2.696 -9.470 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.642 1.057 -10.087 1.00 0.00 H new ATOM 366 N SER A 26 0.686 2.445 -11.907 1.00 0.00 N ATOM 367 CA SER A 26 1.189 2.541 -13.271 1.00 0.00 C ATOM 368 C SER A 26 1.380 1.149 -13.864 1.00 0.00 C ATOM 369 O SER A 26 2.227 0.937 -14.732 1.00 0.00 O ATOM 370 CB SER A 26 2.477 3.351 -13.336 1.00 0.00 C ATOM 371 OG SER A 26 3.591 2.592 -12.903 1.00 0.00 O ATOM 0 H SER A 26 1.406 2.276 -11.205 1.00 0.00 H new ATOM 0 HA SER A 26 0.447 3.070 -13.869 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.643 3.691 -14.358 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.379 4.242 -12.716 1.00 0.00 H new ATOM 0 HG SER A 26 4.402 3.140 -12.959 1.00 0.00 H new ATOM 377 N ASP A 27 0.495 0.237 -13.473 1.00 0.00 N ATOM 378 CA ASP A 27 0.422 -1.072 -14.115 1.00 0.00 C ATOM 379 C ASP A 27 -0.662 -1.081 -15.186 1.00 0.00 C ATOM 380 O ASP A 27 -1.225 -2.128 -15.511 1.00 0.00 O ATOM 381 CB ASP A 27 0.277 -2.183 -13.073 1.00 0.00 C ATOM 382 CG ASP A 27 -1.084 -2.184 -12.397 1.00 0.00 C ATOM 383 OD1 ASP A 27 -1.788 -1.161 -12.401 1.00 0.00 O ATOM 384 OD2 ASP A 27 -1.519 -3.301 -12.042 1.00 0.00 O ATOM 0 H ASP A 27 -0.178 0.378 -12.720 1.00 0.00 H new ATOM 0 HA ASP A 27 1.359 -1.276 -14.633 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.440 -3.148 -13.553 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.053 -2.068 -12.316 1.00 0.00 H new ATOM 389 N ASN A 28 -1.156 0.123 -15.491 1.00 0.00 N ATOM 390 CA ASN A 28 -2.225 0.271 -16.471 1.00 0.00 C ATOM 391 C ASN A 28 -3.488 -0.442 -15.999 1.00 0.00 C ATOM 392 O ASN A 28 -4.330 -0.828 -16.815 1.00 0.00 O ATOM 393 CB ASN A 28 -1.764 -0.135 -17.869 1.00 0.00 C ATOM 394 CG ASN A 28 -0.325 0.246 -18.162 1.00 0.00 C ATOM 395 OD1 ASN A 28 0.419 -0.520 -18.791 1.00 0.00 O ATOM 396 ND2 ASN A 28 0.078 1.428 -17.697 1.00 0.00 N ATOM 0 H ASN A 28 -0.834 0.998 -15.076 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.487 1.326 -16.555 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.877 -1.213 -17.982 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.414 0.333 -18.608 1.00 0.00 H new ATOM 0 HD21 ASN A 28 1.037 1.738 -17.854 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.573 2.023 -17.185 1.00 0.00 H new ATOM 403 N LYS A 29 -3.777 -0.260 -14.706 1.00 0.00 N ATOM 404 CA LYS A 29 -5.023 -0.750 -14.136 1.00 0.00 C ATOM 405 C LYS A 29 -5.228 -0.202 -12.727 1.00 0.00 C ATOM 406 O LYS A 29 -4.274 0.199 -12.059 1.00 0.00 O ATOM 407 CB LYS A 29 -5.061 -2.280 -14.083 1.00 0.00 C ATOM 408 CG LYS A 29 -3.716 -2.919 -13.734 1.00 0.00 C ATOM 409 CD LYS A 29 -3.477 -4.235 -14.449 1.00 0.00 C ATOM 410 CE LYS A 29 -3.181 -4.113 -15.889 1.00 0.00 C ATOM 411 NZ LYS A 29 -1.883 -4.705 -16.237 1.00 0.00 N ATOM 0 H LYS A 29 -3.167 0.220 -14.044 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.824 -0.401 -14.787 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.802 -2.590 -13.347 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.393 -2.660 -15.049 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.915 -2.225 -13.987 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.668 -3.084 -12.658 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.647 -4.750 -13.964 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.358 -4.864 -14.326 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.968 -4.602 -16.463 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.187 -3.060 -16.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.887 -4.985 -17.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.129 -4.008 -16.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.713 -5.542 -15.644 1.00 0.00 H new ATOM 425 N THR A 30 -6.442 -0.394 -12.210 1.00 0.00 N ATOM 426 CA THR A 30 -6.689 -0.244 -10.778 1.00 0.00 C ATOM 427 C THR A 30 -5.969 -1.346 -10.006 1.00 0.00 C ATOM 428 O THR A 30 -6.114 -2.530 -10.313 1.00 0.00 O ATOM 429 CB THR A 30 -8.239 -0.254 -10.449 1.00 0.00 C ATOM 430 OG1 THR A 30 -8.897 0.418 -11.567 1.00 0.00 O ATOM 431 CG2 THR A 30 -8.589 0.391 -9.107 1.00 0.00 C ATOM 0 H THR A 30 -7.263 -0.652 -12.758 1.00 0.00 H new ATOM 0 HA THR A 30 -6.296 0.724 -10.467 1.00 0.00 H new ATOM 0 HB THR A 30 -8.585 -1.282 -10.338 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.865 0.438 -11.413 1.00 0.00 H new ATOM 0 HG21 THR A 30 -9.667 0.346 -8.952 1.00 0.00 H new ATOM 0 HG22 THR A 30 -8.084 -0.145 -8.303 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.265 1.432 -9.108 1.00 0.00 H new ATOM 439 N TYR A 31 -5.366 -0.958 -8.886 1.00 0.00 N ATOM 440 CA TYR A 31 -4.870 -1.926 -7.914 1.00 0.00 C ATOM 441 C TYR A 31 -5.917 -2.181 -6.839 1.00 0.00 C ATOM 442 O TYR A 31 -6.481 -1.252 -6.263 1.00 0.00 O ATOM 443 CB TYR A 31 -3.539 -1.455 -7.294 1.00 0.00 C ATOM 444 CG TYR A 31 -2.309 -1.974 -8.014 1.00 0.00 C ATOM 445 CD1 TYR A 31 -2.141 -3.346 -8.209 1.00 0.00 C ATOM 446 CD2 TYR A 31 -1.476 -1.106 -8.728 1.00 0.00 C ATOM 447 CE1 TYR A 31 -1.143 -3.845 -9.040 1.00 0.00 C ATOM 448 CE2 TYR A 31 -0.403 -1.591 -9.475 1.00 0.00 C ATOM 449 CZ TYR A 31 -0.212 -2.968 -9.589 1.00 0.00 C ATOM 450 OH TYR A 31 0.688 -3.490 -10.488 1.00 0.00 O ATOM 0 H TYR A 31 -5.210 0.017 -8.630 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.677 -2.865 -8.432 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -3.515 -0.365 -7.293 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.501 -1.775 -6.253 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.801 -4.036 -7.703 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.667 -0.043 -8.700 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.091 -4.902 -9.257 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.275 -0.906 -9.962 1.00 0.00 H new ATOM 0 HH TYR A 31 0.233 -4.134 -11.070 1.00 0.00 H new ATOM 460 N GLY A 32 -5.984 -3.440 -6.398 1.00 0.00 N ATOM 461 CA GLY A 32 -7.012 -3.848 -5.450 1.00 0.00 C ATOM 462 C GLY A 32 -6.869 -3.078 -4.142 1.00 0.00 C ATOM 463 O GLY A 32 -7.644 -2.159 -3.869 1.00 0.00 O ATOM 0 H GLY A 32 -5.345 -4.183 -6.681 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.999 -3.671 -5.877 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.934 -4.918 -5.259 1.00 0.00 H new ATOM 467 N ASN A 33 -5.671 -3.190 -3.557 1.00 0.00 N ATOM 468 CA ASN A 33 -5.404 -2.533 -2.282 1.00 0.00 C ATOM 469 C ASN A 33 -3.979 -1.999 -2.242 1.00 0.00 C ATOM 470 O ASN A 33 -3.150 -2.324 -3.089 1.00 0.00 O ATOM 471 CB ASN A 33 -5.776 -3.425 -1.102 1.00 0.00 C ATOM 472 CG ASN A 33 -5.082 -4.774 -1.112 1.00 0.00 C ATOM 473 OD1 ASN A 33 -4.313 -5.095 -2.030 1.00 0.00 O ATOM 474 ND2 ASN A 33 -5.381 -5.596 -0.103 1.00 0.00 N ATOM 0 H ASN A 33 -4.888 -3.719 -3.940 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.052 -1.662 -2.188 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -5.530 -2.907 -0.175 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.855 -3.582 -1.103 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.971 -6.529 -0.067 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.019 -5.290 0.632 1.00 0.00 H new ATOM 481 N LYS A 34 -3.647 -1.363 -1.116 1.00 0.00 N ATOM 482 CA LYS A 34 -2.327 -0.771 -0.946 1.00 0.00 C ATOM 483 C LYS A 34 -1.246 -1.845 -1.017 1.00 0.00 C ATOM 484 O LYS A 34 -0.086 -1.542 -1.319 1.00 0.00 O ATOM 485 CB LYS A 34 -2.209 -0.020 0.380 1.00 0.00 C ATOM 486 CG LYS A 34 -2.389 1.496 0.249 1.00 0.00 C ATOM 487 CD LYS A 34 -1.194 2.280 0.752 1.00 0.00 C ATOM 488 CE LYS A 34 -1.016 3.607 0.135 1.00 0.00 C ATOM 489 NZ LYS A 34 -1.365 3.608 -1.291 1.00 0.00 N ATOM 0 H LYS A 34 -4.271 -1.248 -0.317 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.188 -0.057 -1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.955 -0.407 1.074 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.232 -0.224 0.817 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.566 1.746 -0.797 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.276 1.800 0.804 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.289 2.407 1.830 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.293 1.691 0.579 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.635 4.335 0.659 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.020 3.925 0.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.389 4.587 -1.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.654 3.066 -1.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.300 3.172 -1.420 1.00 0.00 H new ATOM 503 N CYS A 35 -1.554 -2.999 -0.430 1.00 0.00 N ATOM 504 CA CYS A 35 -0.553 -4.036 -0.216 1.00 0.00 C ATOM 505 C CYS A 35 -0.164 -4.676 -1.548 1.00 0.00 C ATOM 506 O CYS A 35 1.016 -4.701 -1.907 1.00 0.00 O ATOM 507 CB CYS A 35 -1.047 -5.081 0.781 1.00 0.00 C ATOM 508 SG CYS A 35 -0.772 -4.662 2.518 1.00 0.00 S ATOM 0 H CYS A 35 -2.488 -3.237 -0.095 1.00 0.00 H new ATOM 0 HA CYS A 35 0.336 -3.575 0.214 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.114 -5.236 0.624 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.552 -6.029 0.568 1.00 0.00 H new ATOM 513 N ASN A 36 -1.172 -4.866 -2.396 1.00 0.00 N ATOM 514 CA ASN A 36 -0.951 -5.357 -3.745 1.00 0.00 C ATOM 515 C ASN A 36 -0.357 -4.271 -4.632 1.00 0.00 C ATOM 516 O ASN A 36 0.409 -4.553 -5.555 1.00 0.00 O ATOM 517 CB ASN A 36 -2.207 -6.016 -4.317 1.00 0.00 C ATOM 518 CG ASN A 36 -2.408 -7.439 -3.834 1.00 0.00 C ATOM 519 OD1 ASN A 36 -2.345 -7.628 -2.515 1.00 0.00 O flip ATOM 520 ND2 ASN A 36 -2.531 -8.372 -4.642 1.00 0.00 N flip ATOM 0 H ASN A 36 -2.150 -4.686 -2.168 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.205 -6.151 -3.710 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -3.078 -5.420 -4.044 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.147 -6.014 -5.405 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.575 -8.178 -5.642 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.588 -9.333 -4.306 1.00 0.00 H new ATOM 527 N PHE A 37 -0.598 -3.024 -4.248 1.00 0.00 N ATOM 528 CA PHE A 37 0.092 -1.890 -4.862 1.00 0.00 C ATOM 529 C PHE A 37 1.591 -1.993 -4.612 1.00 0.00 C ATOM 530 O PHE A 37 2.393 -1.995 -5.547 1.00 0.00 O ATOM 531 CB PHE A 37 -0.434 -0.524 -4.362 1.00 0.00 C ATOM 532 CG PHE A 37 0.254 0.650 -5.009 1.00 0.00 C ATOM 533 CD1 PHE A 37 0.010 0.859 -6.368 1.00 0.00 C ATOM 534 CD2 PHE A 37 1.265 1.377 -4.377 1.00 0.00 C ATOM 535 CE1 PHE A 37 0.716 1.814 -7.083 1.00 0.00 C ATOM 536 CE2 PHE A 37 2.008 2.327 -5.086 1.00 0.00 C ATOM 537 CZ PHE A 37 1.740 2.523 -6.451 1.00 0.00 C ATOM 0 H PHE A 37 -1.263 -2.770 -3.517 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.111 -1.937 -5.932 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.505 -0.461 -4.556 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.302 -0.464 -3.282 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.741 0.267 -6.870 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.475 1.204 -3.332 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.477 2.008 -8.118 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.777 2.902 -4.591 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.331 3.228 -7.017 1.00 0.00 H new ATOM 547 N CYS A 38 1.968 -1.908 -3.339 1.00 0.00 N ATOM 548 CA CYS A 38 3.370 -1.817 -2.963 1.00 0.00 C ATOM 549 C CYS A 38 4.143 -3.040 -3.439 1.00 0.00 C ATOM 550 O CYS A 38 5.376 -3.043 -3.459 1.00 0.00 O ATOM 551 CB CYS A 38 3.523 -1.612 -1.455 1.00 0.00 C ATOM 552 SG CYS A 38 2.775 -0.089 -0.830 1.00 0.00 S ATOM 0 H CYS A 38 1.319 -1.900 -2.552 1.00 0.00 H new ATOM 0 HA CYS A 38 3.795 -0.944 -3.458 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.076 -2.461 -0.938 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.584 -1.610 -1.206 1.00 0.00 H new ATOM 557 N ASN A 39 3.425 -4.162 -3.522 1.00 0.00 N ATOM 558 CA ASN A 39 4.031 -5.411 -3.969 1.00 0.00 C ATOM 559 C ASN A 39 4.285 -5.364 -5.473 1.00 0.00 C ATOM 560 O ASN A 39 5.358 -5.749 -5.941 1.00 0.00 O ATOM 561 CB ASN A 39 3.226 -6.622 -3.508 1.00 0.00 C ATOM 562 CG ASN A 39 3.003 -6.670 -2.008 1.00 0.00 C ATOM 563 OD1 ASN A 39 3.628 -5.915 -1.247 1.00 0.00 O ATOM 564 ND2 ASN A 39 2.025 -7.472 -1.584 1.00 0.00 N ATOM 0 H ASN A 39 2.435 -4.229 -3.288 1.00 0.00 H new ATOM 0 HA ASN A 39 5.006 -5.528 -3.496 1.00 0.00 H new ATOM 0 HB2 ASN A 39 2.259 -6.617 -4.010 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.742 -7.530 -3.819 1.00 0.00 H new ATOM 0 HD21 ASN A 39 1.764 -7.481 -0.598 1.00 0.00 H new ATOM 0 HD22 ASN A 39 1.538 -8.076 -2.246 1.00 0.00 H new ATOM 571 N ALA A 40 3.416 -4.636 -6.170 1.00 0.00 N ATOM 572 CA ALA A 40 3.655 -4.292 -7.567 1.00 0.00 C ATOM 573 C ALA A 40 4.921 -3.454 -7.698 1.00 0.00 C ATOM 574 O ALA A 40 5.646 -3.539 -8.685 1.00 0.00 O ATOM 575 CB ALA A 40 2.448 -3.561 -8.145 1.00 0.00 C ATOM 0 H ALA A 40 2.541 -4.274 -5.790 1.00 0.00 H new ATOM 0 HA ALA A 40 3.799 -5.210 -8.137 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.640 -3.310 -9.188 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.569 -4.203 -8.082 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.271 -2.647 -7.579 1.00 0.00 H new ATOM 581 N VAL A 41 5.215 -2.701 -6.639 1.00 0.00 N ATOM 582 CA VAL A 41 6.352 -1.790 -6.656 1.00 0.00 C ATOM 583 C VAL A 41 7.641 -2.539 -6.345 1.00 0.00 C ATOM 584 O VAL A 41 8.673 -2.327 -6.977 1.00 0.00 O ATOM 585 CB VAL A 41 6.094 -0.593 -5.716 1.00 0.00 C ATOM 586 CG1 VAL A 41 7.191 0.461 -5.801 1.00 0.00 C ATOM 587 CG2 VAL A 41 4.728 0.027 -5.962 1.00 0.00 C ATOM 0 H VAL A 41 4.685 -2.705 -5.767 1.00 0.00 H new ATOM 0 HA VAL A 41 6.475 -1.376 -7.657 1.00 0.00 H new ATOM 0 HB VAL A 41 6.108 -0.991 -4.701 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.961 1.281 -5.121 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.146 0.015 -5.523 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.252 0.842 -6.821 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.582 0.866 -5.282 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.668 0.379 -6.992 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.953 -0.720 -5.789 1.00 0.00 H new ATOM 597 N VAL A 42 7.563 -3.428 -5.356 1.00 0.00 N ATOM 598 CA VAL A 42 8.759 -4.079 -4.835 1.00 0.00 C ATOM 599 C VAL A 42 9.202 -5.200 -5.775 1.00 0.00 C ATOM 600 O VAL A 42 10.364 -5.244 -6.189 1.00 0.00 O ATOM 601 CB VAL A 42 8.537 -4.544 -3.384 1.00 0.00 C ATOM 602 CG1 VAL A 42 8.105 -3.408 -2.464 1.00 0.00 C ATOM 603 CG2 VAL A 42 7.559 -5.705 -3.306 1.00 0.00 C ATOM 0 H VAL A 42 6.693 -3.710 -4.905 1.00 0.00 H new ATOM 0 HA VAL A 42 9.580 -3.363 -4.799 1.00 0.00 H new ATOM 0 HB VAL A 42 9.506 -4.895 -3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.963 -3.792 -1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.874 -2.636 -2.454 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.169 -2.983 -2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.430 -6.003 -2.265 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.597 -5.399 -3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.947 -6.547 -3.879 1.00 0.00 H new ATOM 613 N GLU A 43 8.206 -5.845 -6.382 1.00 0.00 N ATOM 614 CA GLU A 43 8.440 -6.740 -7.504 1.00 0.00 C ATOM 615 C GLU A 43 8.998 -5.961 -8.694 1.00 0.00 C ATOM 616 O GLU A 43 9.536 -6.551 -9.633 1.00 0.00 O ATOM 617 CB GLU A 43 7.110 -7.418 -7.846 1.00 0.00 C ATOM 618 CG GLU A 43 6.615 -8.589 -7.211 1.00 0.00 C ATOM 619 CD GLU A 43 6.101 -8.445 -5.812 1.00 0.00 C ATOM 620 OE1 GLU A 43 6.644 -7.778 -4.948 1.00 0.00 O ATOM 621 OE2 GLU A 43 5.081 -9.139 -5.608 1.00 0.00 O ATOM 0 H GLU A 43 7.226 -5.760 -6.110 1.00 0.00 H new ATOM 0 HA GLU A 43 9.179 -7.499 -7.247 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.341 -6.656 -7.716 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.154 -7.648 -8.911 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.811 -8.992 -7.826 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.413 -9.331 -7.203 1.00 0.00 H new ATOM 628 N SER A 44 8.564 -4.705 -8.793 1.00 0.00 N ATOM 629 CA SER A 44 8.868 -3.883 -9.953 1.00 0.00 C ATOM 630 C SER A 44 10.373 -3.700 -10.105 1.00 0.00 C ATOM 631 O SER A 44 10.856 -3.264 -11.150 1.00 0.00 O ATOM 632 CB SER A 44 8.152 -2.539 -9.895 1.00 0.00 C ATOM 633 OG SER A 44 7.248 -2.382 -10.973 1.00 0.00 O ATOM 0 H SER A 44 8.001 -4.239 -8.081 1.00 0.00 H new ATOM 0 HA SER A 44 8.498 -4.406 -10.835 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.612 -2.454 -8.952 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.886 -1.734 -9.915 1.00 0.00 H new ATOM 0 HG SER A 44 6.419 -2.866 -10.778 1.00 0.00 H new ATOM 639 N ASN A 45 11.087 -3.889 -8.999 1.00 0.00 N ATOM 640 CA ASN A 45 12.494 -3.502 -8.928 1.00 0.00 C ATOM 641 C ASN A 45 12.622 -1.982 -8.946 1.00 0.00 C ATOM 642 O ASN A 45 13.553 -1.433 -9.537 1.00 0.00 O ATOM 643 CB ASN A 45 13.326 -4.215 -9.990 1.00 0.00 C ATOM 644 CG ASN A 45 13.125 -5.720 -9.999 1.00 0.00 C ATOM 645 OD1 ASN A 45 12.096 -6.173 -10.712 1.00 0.00 O flip ATOM 646 ND2 ASN A 45 13.862 -6.461 -9.331 1.00 0.00 N flip ATOM 0 H ASN A 45 10.718 -4.305 -8.144 1.00 0.00 H new ATOM 0 HA ASN A 45 12.913 -3.834 -7.978 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.070 -3.815 -10.971 1.00 0.00 H new ATOM 0 HB3 ASN A 45 14.381 -3.997 -9.822 1.00 0.00 H new ATOM 0 HD21 ASN A 45 14.638 -6.065 -8.801 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.692 -7.467 -9.312 1.00 0.00 H new ATOM 653 N GLY A 46 11.561 -1.317 -8.496 1.00 0.00 N ATOM 654 CA GLY A 46 11.448 0.127 -8.644 1.00 0.00 C ATOM 655 C GLY A 46 11.294 0.502 -10.114 1.00 0.00 C ATOM 656 O GLY A 46 12.234 0.991 -10.742 1.00 0.00 O ATOM 0 H GLY A 46 10.769 -1.757 -8.027 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.590 0.491 -8.078 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.332 0.611 -8.230 1.00 0.00 H new ATOM 660 N THR A 47 10.047 0.478 -10.583 1.00 0.00 N ATOM 661 CA THR A 47 9.704 1.088 -11.862 1.00 0.00 C ATOM 662 C THR A 47 8.252 1.547 -11.862 1.00 0.00 C ATOM 663 O THR A 47 7.943 2.678 -12.237 1.00 0.00 O ATOM 664 CB THR A 47 9.984 0.102 -13.072 1.00 0.00 C ATOM 665 OG1 THR A 47 10.102 0.907 -14.270 1.00 0.00 O ATOM 666 CG2 THR A 47 8.979 -1.043 -13.189 1.00 0.00 C ATOM 0 H THR A 47 9.262 0.044 -10.097 1.00 0.00 H new ATOM 0 HA THR A 47 10.344 1.960 -11.997 1.00 0.00 H new ATOM 0 HB THR A 47 10.919 -0.430 -12.897 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.278 0.325 -15.039 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.241 -1.671 -14.041 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.000 -1.640 -12.277 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.978 -0.636 -13.333 1.00 0.00 H new ATOM 674 N LEU A 48 7.407 0.751 -11.208 1.00 0.00 N ATOM 675 CA LEU A 48 6.005 1.102 -11.044 1.00 0.00 C ATOM 676 C LEU A 48 5.833 2.106 -9.910 1.00 0.00 C ATOM 677 O LEU A 48 6.744 2.334 -9.116 1.00 0.00 O ATOM 678 CB LEU A 48 5.206 -0.199 -10.853 1.00 0.00 C ATOM 679 CG LEU A 48 3.809 -0.074 -10.279 1.00 0.00 C ATOM 680 CD1 LEU A 48 2.831 -0.992 -11.000 1.00 0.00 C ATOM 681 CD2 LEU A 48 3.843 -0.416 -8.794 1.00 0.00 C ATOM 0 H LEU A 48 7.672 -0.139 -10.785 1.00 0.00 H new ATOM 0 HA LEU A 48 5.616 1.604 -11.930 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.131 -0.695 -11.821 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.782 -0.857 -10.202 1.00 0.00 H new ATOM 0 HG LEU A 48 3.468 0.952 -10.417 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.838 -0.879 -10.565 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.796 -0.728 -12.057 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.158 -2.027 -10.895 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.840 -0.327 -8.377 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.201 -1.437 -8.664 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.513 0.272 -8.277 1.00 0.00 H new ATOM 693 N THR A 49 4.698 2.796 -9.932 1.00 0.00 N ATOM 694 CA THR A 49 4.442 3.872 -8.983 1.00 0.00 C ATOM 695 C THR A 49 3.012 4.386 -9.149 1.00 0.00 C ATOM 696 O THR A 49 2.278 3.919 -10.023 1.00 0.00 O ATOM 697 CB THR A 49 5.488 5.050 -9.137 1.00 0.00 C ATOM 698 OG1 THR A 49 5.012 6.141 -8.289 1.00 0.00 O ATOM 699 CG2 THR A 49 5.712 5.498 -10.580 1.00 0.00 C ATOM 0 H THR A 49 3.942 2.629 -10.596 1.00 0.00 H new ATOM 0 HA THR A 49 4.558 3.470 -7.976 1.00 0.00 H new ATOM 0 HB THR A 49 6.473 4.703 -8.824 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.632 6.897 -8.350 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.442 6.308 -10.601 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.084 4.659 -11.168 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.770 5.848 -11.003 1.00 0.00 H new ATOM 707 N LEU A 50 2.556 5.125 -8.142 1.00 0.00 N ATOM 708 CA LEU A 50 1.131 5.414 -7.996 1.00 0.00 C ATOM 709 C LEU A 50 0.707 6.486 -8.997 1.00 0.00 C ATOM 710 O LEU A 50 1.121 7.643 -8.893 1.00 0.00 O ATOM 711 CB LEU A 50 0.878 5.786 -6.530 1.00 0.00 C ATOM 712 CG LEU A 50 -0.389 6.557 -6.209 1.00 0.00 C ATOM 713 CD1 LEU A 50 -1.586 5.624 -6.097 1.00 0.00 C ATOM 714 CD2 LEU A 50 -0.186 7.313 -4.900 1.00 0.00 C ATOM 0 H LEU A 50 3.148 5.533 -7.418 1.00 0.00 H new ATOM 0 HA LEU A 50 0.513 4.547 -8.229 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.868 4.865 -5.947 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.727 6.375 -6.182 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.593 7.259 -7.018 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.479 6.204 -5.866 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.728 5.099 -7.042 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.409 4.899 -5.302 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.090 7.871 -4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.028 6.604 -4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.650 8.004 -5.005 1.00 0.00 H new ATOM 726 N SER A 51 -0.361 6.173 -9.728 1.00 0.00 N ATOM 727 CA SER A 51 -1.007 7.146 -10.597 1.00 0.00 C ATOM 728 C SER A 51 -1.864 8.106 -9.778 1.00 0.00 C ATOM 729 O SER A 51 -1.688 9.323 -9.841 1.00 0.00 O ATOM 730 CB SER A 51 -1.828 6.465 -11.685 1.00 0.00 C ATOM 731 OG SER A 51 -2.422 7.409 -12.554 1.00 0.00 O ATOM 0 H SER A 51 -0.796 5.250 -9.734 1.00 0.00 H new ATOM 0 HA SER A 51 -0.228 7.723 -11.095 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.189 5.793 -12.258 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.604 5.852 -11.227 1.00 0.00 H new ATOM 0 HG SER A 51 -3.299 7.670 -12.203 1.00 0.00 H new ATOM 737 N HIS A 52 -2.580 7.534 -8.811 1.00 0.00 N ATOM 738 CA HIS A 52 -3.365 8.323 -7.875 1.00 0.00 C ATOM 739 C HIS A 52 -3.960 7.423 -6.793 1.00 0.00 C ATOM 740 O HIS A 52 -4.160 6.227 -7.017 1.00 0.00 O ATOM 741 CB HIS A 52 -4.514 9.122 -8.544 1.00 0.00 C ATOM 742 CG HIS A 52 -5.331 8.281 -9.476 1.00 0.00 C ATOM 743 ND1 HIS A 52 -4.928 7.343 -10.370 1.00 0.00 N flip ATOM 744 CD2 HIS A 52 -6.703 8.257 -9.495 1.00 0.00 C flip ATOM 745 CE1 HIS A 52 -6.053 6.851 -10.977 1.00 0.00 C flip ATOM 746 NE2 HIS A 52 -7.109 7.399 -10.417 1.00 0.00 N flip ATOM 0 H HIS A 52 -2.630 6.527 -8.659 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.672 9.046 -7.445 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -5.162 9.536 -7.771 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -4.094 9.965 -9.094 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -7.348 8.845 -8.859 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -6.070 6.132 -11.783 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -8.080 7.196 -10.654 1.00 0.00 H new ATOM 755 N PHE A 53 -4.475 8.059 -5.744 1.00 0.00 N ATOM 756 CA PHE A 53 -5.297 7.361 -4.763 1.00 0.00 C ATOM 757 C PHE A 53 -6.776 7.516 -5.107 1.00 0.00 C ATOM 758 O PHE A 53 -7.383 8.552 -4.837 1.00 0.00 O ATOM 759 CB PHE A 53 -5.065 7.835 -3.308 1.00 0.00 C ATOM 760 CG PHE A 53 -3.608 7.855 -2.934 1.00 0.00 C ATOM 761 CD1 PHE A 53 -2.731 8.862 -3.339 1.00 0.00 C ATOM 762 CD2 PHE A 53 -3.172 6.893 -2.020 1.00 0.00 C ATOM 763 CE1 PHE A 53 -1.462 8.974 -2.754 1.00 0.00 C ATOM 764 CE2 PHE A 53 -1.875 6.910 -1.529 1.00 0.00 C ATOM 765 CZ PHE A 53 -1.015 7.944 -1.906 1.00 0.00 C ATOM 0 H PHE A 53 -4.338 9.052 -5.553 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.996 6.315 -4.812 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -5.482 8.834 -3.184 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -5.603 7.178 -2.625 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.032 9.559 -4.107 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.855 6.124 -1.691 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.839 9.834 -2.950 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.534 6.132 -0.862 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.002 7.953 -1.543 1.00 0.00 H new ATOM 775 N GLY A 54 -7.268 6.581 -5.917 1.00 0.00 N ATOM 776 CA GLY A 54 -8.632 6.649 -6.417 1.00 0.00 C ATOM 777 C GLY A 54 -9.132 5.259 -6.795 1.00 0.00 C ATOM 778 O GLY A 54 -8.739 4.259 -6.194 1.00 0.00 O ATOM 0 H GLY A 54 -6.740 5.770 -6.239 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.283 7.082 -5.657 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.675 7.306 -7.286 1.00 0.00 H new ATOM 782 N LYS A 55 -9.846 5.198 -7.915 1.00 0.00 N ATOM 783 CA LYS A 55 -10.213 3.920 -8.514 1.00 0.00 C ATOM 784 C LYS A 55 -10.084 4.003 -10.037 1.00 0.00 C ATOM 785 O LYS A 55 -10.686 3.191 -10.756 1.00 0.00 O ATOM 786 CB LYS A 55 -11.637 3.509 -8.149 1.00 0.00 C ATOM 787 CG LYS A 55 -11.821 3.116 -6.684 1.00 0.00 C ATOM 788 CD LYS A 55 -13.208 3.425 -6.152 1.00 0.00 C ATOM 789 CE LYS A 55 -14.312 2.817 -6.917 1.00 0.00 C ATOM 790 NZ LYS A 55 -14.965 1.730 -6.176 1.00 0.00 N ATOM 0 H LYS A 55 -10.181 6.016 -8.424 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.532 3.166 -8.120 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.311 4.334 -8.379 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.933 2.670 -8.778 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.626 2.049 -6.573 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.082 3.640 -6.078 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.270 3.084 -5.118 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.345 4.506 -6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -15.049 3.583 -7.160 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.929 2.432 -7.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.735 1.331 -6.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.269 0.986 -5.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -15.354 2.101 -5.286 1.00 0.00 H new ATOM 804 N CYS A 56 -9.008 4.660 -10.470 1.00 0.00 N ATOM 805 CA CYS A 56 -8.512 4.515 -11.838 1.00 0.00 C ATOM 806 C CYS A 56 -9.529 5.080 -12.825 1.00 0.00 C ATOM 807 O CYS A 56 -10.465 5.780 -12.407 1.00 0.00 O ATOM 808 CB CYS A 56 -8.177 3.060 -12.146 1.00 0.00 C ATOM 809 SG CYS A 56 -6.842 2.815 -13.339 1.00 0.00 S ATOM 810 OXT CYS A 56 -9.308 5.004 -14.043 1.00 0.00 O ATOM 0 H CYS A 56 -8.462 5.299 -9.892 1.00 0.00 H new ATOM 0 HA CYS A 56 -7.588 5.085 -11.940 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -7.907 2.561 -11.215 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -9.074 2.569 -12.523 1.00 0.00 H new TER 815 CYS A 56