USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=16 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 -81:sc= 1.04 USER MOD Set 1.2: A 52 HIS :FLIP no HD1:sc= -5.97! C(o=-14!,f=-4.9!) USER MOD Set 2.1: A 33 ASN : amide:sc= -8.24! C(o=-8.7!,f=-13!) USER MOD Set 2.2: A 36 ASN : amide:sc= -0.508 X(o=-8.7,f=-8.3) USER MOD Set 3.1: A 20 TYR OH : rot 30:sc= 0.236 USER MOD Set 3.2: A 55 LYS NZ :NH3+ -108:sc= 0.0829 (180deg=-1.38!) USER MOD Single : A 1 LEU N :NH3+ -109:sc= -0.0991 (180deg=-0.557) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -54:sc= 0.138 USER MOD Single : A 11 TYR OH : rot -80:sc= -1.97! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0241 USER MOD Single : A 26 SER OG : rot -32:sc= 0.72 USER MOD Single : A 28 ASN : amide:sc= -0.807! C(o=-0.81!,f=-0.81!) USER MOD Single : A 29 LYS NZ :NH3+ -140:sc= -0.803 (180deg=-2.41!) USER MOD Single : A 30 THR OG1 : rot -1:sc= 1.84 USER MOD Single : A 31 TYR OH : rot 180:sc=-0.00352 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -3.05! C(o=-3!,f=-7.5!) USER MOD Single : A 44 SER OG : rot -78:sc= 0.259 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -20:sc= -1.55! USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 6.300 13.925 6.595 1.00 0.00 N ATOM 2 CA LEU A 1 5.758 13.867 5.209 1.00 0.00 C ATOM 3 C LEU A 1 6.821 13.300 4.266 1.00 0.00 C ATOM 4 O LEU A 1 6.995 13.769 3.159 1.00 0.00 O ATOM 5 CB LEU A 1 5.373 15.277 4.755 1.00 0.00 C ATOM 6 CG LEU A 1 3.885 15.511 5.019 1.00 0.00 C ATOM 7 CD1 LEU A 1 3.709 16.195 6.375 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.308 16.406 3.921 1.00 0.00 C ATOM 0 H1 LEU A 1 5.834 13.203 7.180 1.00 0.00 H new ATOM 0 H2 LEU A 1 7.324 13.746 6.575 1.00 0.00 H new ATOM 0 H3 LEU A 1 6.121 14.866 6.999 1.00 0.00 H new ATOM 0 HA LEU A 1 4.878 13.224 5.190 1.00 0.00 H new ATOM 0 HB2 LEU A 1 5.969 16.017 5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 1 5.588 15.400 3.694 1.00 0.00 H new ATOM 0 HG LEU A 1 3.362 14.555 5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.648 16.362 6.563 1.00 0.00 H new ATOM 0 HD12 LEU A 1 4.121 15.560 7.159 1.00 0.00 H new ATOM 0 HD13 LEU A 1 4.232 17.152 6.371 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.247 16.574 4.108 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.831 17.362 3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 1 3.433 15.921 2.953 1.00 0.00 H new ATOM 22 N ALA A 2 7.533 12.296 4.696 1.00 0.00 N ATOM 23 CA ALA A 2 8.583 11.699 3.821 1.00 0.00 C ATOM 24 C ALA A 2 7.940 11.180 2.534 1.00 0.00 C ATOM 25 O ALA A 2 6.743 11.274 2.344 1.00 0.00 O ATOM 26 CB ALA A 2 9.260 10.540 4.554 1.00 0.00 C ATOM 0 H ALA A 2 7.434 11.863 5.614 1.00 0.00 H new ATOM 0 HA ALA A 2 9.326 12.458 3.576 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.027 10.104 3.915 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.719 10.908 5.472 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.517 9.781 4.799 1.00 0.00 H new ATOM 32 N ALA A 3 8.725 10.630 1.649 1.00 0.00 N ATOM 33 CA ALA A 3 8.157 10.103 0.378 1.00 0.00 C ATOM 34 C ALA A 3 6.889 9.304 0.680 1.00 0.00 C ATOM 35 O ALA A 3 6.945 8.144 1.036 1.00 0.00 O ATOM 36 CB ALA A 3 9.182 9.193 -0.301 1.00 0.00 C ATOM 0 H ALA A 3 9.734 10.523 1.752 1.00 0.00 H new ATOM 0 HA ALA A 3 7.915 10.935 -0.284 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.766 8.807 -1.232 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.087 9.761 -0.516 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.425 8.361 0.360 1.00 0.00 H new ATOM 42 N VAL A 4 5.746 9.915 0.542 1.00 0.00 N ATOM 43 CA VAL A 4 4.477 9.187 0.822 1.00 0.00 C ATOM 44 C VAL A 4 4.056 8.405 -0.423 1.00 0.00 C ATOM 45 O VAL A 4 3.074 8.721 -1.065 1.00 0.00 O ATOM 46 CB VAL A 4 3.385 10.191 1.193 1.00 0.00 C ATOM 47 CG1 VAL A 4 2.138 9.440 1.664 1.00 0.00 C ATOM 48 CG2 VAL A 4 3.888 11.096 2.321 1.00 0.00 C ATOM 0 H VAL A 4 5.635 10.885 0.248 1.00 0.00 H new ATOM 0 HA VAL A 4 4.627 8.495 1.651 1.00 0.00 H new ATOM 0 HB VAL A 4 3.137 10.796 0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.360 10.156 1.928 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.779 8.793 0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.385 8.835 2.536 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.111 11.812 2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.135 10.489 3.192 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.777 11.632 1.988 1.00 0.00 H new ATOM 58 N SER A 5 4.794 7.385 -0.768 1.00 0.00 N ATOM 59 CA SER A 5 4.440 6.581 -1.972 1.00 0.00 C ATOM 60 C SER A 5 5.272 5.296 -1.990 1.00 0.00 C ATOM 61 O SER A 5 6.487 5.330 -2.004 1.00 0.00 O ATOM 62 CB SER A 5 4.731 7.394 -3.233 1.00 0.00 C ATOM 63 OG SER A 5 3.726 7.132 -4.204 1.00 0.00 O ATOM 0 H SER A 5 5.627 7.074 -0.268 1.00 0.00 H new ATOM 0 HA SER A 5 3.380 6.328 -1.940 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.755 8.458 -2.996 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.712 7.133 -3.629 1.00 0.00 H new ATOM 0 HG SER A 5 3.909 7.653 -5.013 1.00 0.00 H new ATOM 69 N VAL A 6 4.626 4.161 -1.988 1.00 0.00 N ATOM 70 CA VAL A 6 5.378 2.873 -2.000 1.00 0.00 C ATOM 71 C VAL A 6 5.454 2.328 -3.423 1.00 0.00 C ATOM 72 O VAL A 6 5.789 1.183 -3.651 1.00 0.00 O ATOM 73 CB VAL A 6 4.652 1.866 -1.116 1.00 0.00 C ATOM 74 CG1 VAL A 6 5.378 0.521 -1.162 1.00 0.00 C ATOM 75 CG2 VAL A 6 4.615 2.380 0.324 1.00 0.00 C ATOM 0 H VAL A 6 3.610 4.070 -1.979 1.00 0.00 H new ATOM 0 HA VAL A 6 6.388 3.041 -1.626 1.00 0.00 H new ATOM 0 HB VAL A 6 3.633 1.737 -1.480 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.856 -0.196 -0.529 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.397 0.153 -2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.399 0.646 -0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.095 1.659 0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.633 2.514 0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.090 3.335 0.356 1.00 0.00 H new ATOM 85 N ASP A 7 5.150 3.147 -4.372 1.00 0.00 N ATOM 86 CA ASP A 7 5.199 2.706 -5.796 1.00 0.00 C ATOM 87 C ASP A 7 4.248 1.523 -6.002 1.00 0.00 C ATOM 88 O ASP A 7 4.399 0.481 -5.395 1.00 0.00 O ATOM 89 CB ASP A 7 6.626 2.280 -6.146 1.00 0.00 C ATOM 90 CG ASP A 7 6.659 1.725 -7.570 1.00 0.00 C ATOM 91 OD1 ASP A 7 5.757 2.041 -8.328 1.00 0.00 O ATOM 92 OD2 ASP A 7 7.585 0.995 -7.879 1.00 0.00 O ATOM 0 H ASP A 7 4.865 4.116 -4.231 1.00 0.00 H new ATOM 0 HA ASP A 7 4.894 3.530 -6.441 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.302 3.131 -6.060 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.974 1.524 -5.442 1.00 0.00 H new ATOM 97 N CYS A 8 3.267 1.674 -6.852 1.00 0.00 N ATOM 98 CA CYS A 8 2.306 0.556 -7.091 1.00 0.00 C ATOM 99 C CYS A 8 1.763 0.637 -8.522 1.00 0.00 C ATOM 100 O CYS A 8 0.581 0.478 -8.753 1.00 0.00 O ATOM 101 CB CYS A 8 1.141 0.662 -6.104 1.00 0.00 C ATOM 102 SG CYS A 8 1.773 1.016 -4.443 1.00 0.00 S ATOM 0 H CYS A 8 3.089 2.522 -7.391 1.00 0.00 H new ATOM 0 HA CYS A 8 2.821 -0.394 -6.950 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.457 1.450 -6.418 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.573 -0.268 -6.096 1.00 0.00 H new ATOM 107 N SER A 9 2.610 0.887 -9.483 1.00 0.00 N ATOM 108 CA SER A 9 2.131 0.980 -10.893 1.00 0.00 C ATOM 109 C SER A 9 2.203 -0.396 -11.563 1.00 0.00 C ATOM 110 O SER A 9 2.203 -0.505 -12.773 1.00 0.00 O ATOM 111 CB SER A 9 3.006 1.967 -11.665 1.00 0.00 C ATOM 112 OG SER A 9 2.315 2.395 -12.830 1.00 0.00 O ATOM 0 H SER A 9 3.612 1.031 -9.354 1.00 0.00 H new ATOM 0 HA SER A 9 1.097 1.326 -10.896 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.249 2.824 -11.037 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.950 1.496 -11.940 1.00 0.00 H new ATOM 0 HG SER A 9 2.035 1.613 -13.350 1.00 0.00 H new ATOM 118 N GLU A 10 2.271 -1.445 -10.790 1.00 0.00 N ATOM 119 CA GLU A 10 2.349 -2.810 -11.390 1.00 0.00 C ATOM 120 C GLU A 10 1.358 -3.744 -10.691 1.00 0.00 C ATOM 121 O GLU A 10 1.285 -4.921 -10.980 1.00 0.00 O ATOM 122 CB GLU A 10 3.767 -3.346 -11.212 1.00 0.00 C ATOM 123 CG GLU A 10 4.103 -3.427 -9.722 1.00 0.00 C ATOM 124 CD GLU A 10 4.949 -2.216 -9.326 1.00 0.00 C ATOM 125 OE1 GLU A 10 4.530 -1.105 -9.612 1.00 0.00 O ATOM 126 OE2 GLU A 10 6.002 -2.417 -8.742 1.00 0.00 O ATOM 0 H GLU A 10 2.276 -1.418 -9.770 1.00 0.00 H new ATOM 0 HA GLU A 10 2.100 -2.759 -12.450 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.854 -4.332 -11.669 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.479 -2.696 -11.721 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.187 -3.453 -9.132 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.645 -4.348 -9.510 1.00 0.00 H new ATOM 133 N TYR A 11 0.604 -3.223 -9.769 1.00 0.00 N ATOM 134 CA TYR A 11 -0.377 -4.045 -9.033 1.00 0.00 C ATOM 135 C TYR A 11 -1.658 -4.185 -9.870 1.00 0.00 C ATOM 136 O TYR A 11 -1.858 -3.453 -10.819 1.00 0.00 O ATOM 137 CB TYR A 11 -0.638 -3.343 -7.701 1.00 0.00 C ATOM 138 CG TYR A 11 0.581 -3.541 -6.834 1.00 0.00 C ATOM 139 CD1 TYR A 11 1.700 -2.715 -7.010 1.00 0.00 C ATOM 140 CD2 TYR A 11 0.610 -4.563 -5.875 1.00 0.00 C ATOM 141 CE1 TYR A 11 2.841 -2.905 -6.224 1.00 0.00 C ATOM 142 CE2 TYR A 11 1.756 -4.754 -5.092 1.00 0.00 C ATOM 143 CZ TYR A 11 2.870 -3.925 -5.267 1.00 0.00 C ATOM 144 OH TYR A 11 3.999 -4.115 -4.496 1.00 0.00 O ATOM 0 H TYR A 11 0.630 -2.242 -9.492 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.007 -5.053 -8.846 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.827 -2.281 -7.859 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.523 -3.756 -7.217 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.681 -1.931 -7.753 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.250 -5.202 -5.740 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.700 -2.264 -6.356 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.780 -5.541 -4.353 1.00 0.00 H new ATOM 0 HH TYR A 11 4.667 -4.614 -5.011 1.00 0.00 H new ATOM 154 N PRO A 12 -2.462 -5.154 -9.518 1.00 0.00 N ATOM 155 CA PRO A 12 -2.203 -6.033 -8.362 1.00 0.00 C ATOM 156 C PRO A 12 -1.094 -7.054 -8.649 1.00 0.00 C ATOM 157 O PRO A 12 -0.498 -7.072 -9.707 1.00 0.00 O ATOM 158 CB PRO A 12 -3.540 -6.750 -8.150 1.00 0.00 C ATOM 159 CG PRO A 12 -4.281 -6.690 -9.508 1.00 0.00 C ATOM 160 CD PRO A 12 -3.695 -5.486 -10.264 1.00 0.00 C ATOM 0 HA PRO A 12 -1.863 -5.471 -7.492 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.383 -7.782 -7.837 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.122 -6.265 -7.367 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.136 -7.612 -10.072 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.355 -6.572 -9.361 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.477 -5.736 -11.302 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.391 -4.647 -10.277 1.00 0.00 H new ATOM 168 N LYS A 13 -0.824 -7.902 -7.689 1.00 0.00 N ATOM 169 CA LYS A 13 0.236 -8.937 -7.850 1.00 0.00 C ATOM 170 C LYS A 13 -0.346 -10.310 -7.482 1.00 0.00 C ATOM 171 O LYS A 13 -1.173 -10.410 -6.598 1.00 0.00 O ATOM 172 CB LYS A 13 1.396 -8.607 -6.911 1.00 0.00 C ATOM 173 CG LYS A 13 2.681 -8.413 -7.719 1.00 0.00 C ATOM 174 CD LYS A 13 3.870 -8.296 -6.763 1.00 0.00 C ATOM 175 CE LYS A 13 5.097 -7.801 -7.531 1.00 0.00 C ATOM 176 NZ LYS A 13 6.131 -7.334 -6.564 1.00 0.00 N ATOM 0 H LYS A 13 -1.302 -7.919 -6.788 1.00 0.00 H new ATOM 0 HA LYS A 13 0.591 -8.955 -8.880 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.172 -7.703 -6.346 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.529 -9.411 -6.187 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.827 -9.253 -8.398 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.605 -7.516 -8.334 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.632 -7.606 -5.953 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.080 -9.263 -6.307 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.499 -8.602 -8.151 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.817 -6.988 -8.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.966 -6.997 -7.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.744 -6.558 -5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.405 -8.121 -5.942 1.00 0.00 H new ATOM 190 N PRO A 14 0.096 -11.328 -8.181 1.00 0.00 N ATOM 191 CA PRO A 14 -0.375 -12.713 -7.958 1.00 0.00 C ATOM 192 C PRO A 14 0.296 -13.348 -6.734 1.00 0.00 C ATOM 193 O PRO A 14 0.248 -14.546 -6.540 1.00 0.00 O ATOM 194 CB PRO A 14 0.040 -13.438 -9.240 1.00 0.00 C ATOM 195 CG PRO A 14 1.195 -12.611 -9.852 1.00 0.00 C ATOM 196 CD PRO A 14 1.089 -11.193 -9.269 1.00 0.00 C ATOM 0 HA PRO A 14 -1.446 -12.763 -7.760 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.363 -14.456 -9.024 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.797 -13.510 -9.934 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.160 -13.057 -9.609 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.119 -12.588 -10.939 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.050 -10.844 -8.892 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.762 -10.475 -10.021 1.00 0.00 H new ATOM 204 N ALA A 15 0.914 -12.557 -5.909 1.00 0.00 N ATOM 205 CA ALA A 15 1.583 -13.114 -4.694 1.00 0.00 C ATOM 206 C ALA A 15 2.348 -11.999 -3.978 1.00 0.00 C ATOM 207 O ALA A 15 2.972 -11.166 -4.604 1.00 0.00 O ATOM 208 CB ALA A 15 2.558 -14.218 -5.109 1.00 0.00 C ATOM 0 H ALA A 15 0.988 -11.546 -6.019 1.00 0.00 H new ATOM 0 HA ALA A 15 0.831 -13.528 -4.022 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.046 -14.624 -4.223 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.013 -15.012 -5.619 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.311 -13.805 -5.781 1.00 0.00 H new ATOM 214 N CYS A 16 2.304 -11.967 -2.668 1.00 0.00 N ATOM 215 CA CYS A 16 3.031 -10.890 -1.937 1.00 0.00 C ATOM 216 C CYS A 16 3.522 -11.385 -0.582 1.00 0.00 C ATOM 217 O CYS A 16 2.747 -11.716 0.294 1.00 0.00 O ATOM 218 CB CYS A 16 2.101 -9.697 -1.707 1.00 0.00 C ATOM 219 SG CYS A 16 1.177 -9.372 -3.227 1.00 0.00 S ATOM 0 H CYS A 16 1.801 -12.633 -2.082 1.00 0.00 H new ATOM 0 HA CYS A 16 3.886 -10.594 -2.544 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.415 -9.907 -0.886 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.679 -8.818 -1.422 1.00 0.00 H new ATOM 224 N THR A 17 4.807 -11.377 -0.384 1.00 0.00 N ATOM 225 CA THR A 17 5.356 -11.778 0.936 1.00 0.00 C ATOM 226 C THR A 17 5.490 -10.500 1.740 1.00 0.00 C ATOM 227 O THR A 17 4.506 -9.890 2.111 1.00 0.00 O ATOM 228 CB THR A 17 6.719 -12.459 0.780 1.00 0.00 C ATOM 229 OG1 THR A 17 7.440 -11.838 -0.275 1.00 0.00 O ATOM 230 CG2 THR A 17 6.519 -13.942 0.462 1.00 0.00 C ATOM 0 H THR A 17 5.502 -11.109 -1.081 1.00 0.00 H new ATOM 0 HA THR A 17 4.702 -12.496 1.431 1.00 0.00 H new ATOM 0 HB THR A 17 7.281 -12.363 1.709 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.313 -12.272 -0.374 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.490 -14.425 0.351 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.968 -14.417 1.274 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.956 -14.042 -0.466 1.00 0.00 H new ATOM 238 N LEU A 18 6.678 -10.061 1.995 1.00 0.00 N ATOM 239 CA LEU A 18 6.827 -8.816 2.739 1.00 0.00 C ATOM 240 C LEU A 18 6.148 -8.982 4.082 1.00 0.00 C ATOM 241 O LEU A 18 4.952 -8.855 4.214 1.00 0.00 O ATOM 242 CB LEU A 18 6.211 -7.683 1.927 1.00 0.00 C ATOM 243 CG LEU A 18 7.222 -7.230 0.875 1.00 0.00 C ATOM 244 CD1 LEU A 18 7.205 -8.208 -0.302 1.00 0.00 C ATOM 245 CD2 LEU A 18 6.856 -5.828 0.381 1.00 0.00 C ATOM 0 H LEU A 18 7.547 -10.516 1.717 1.00 0.00 H new ATOM 0 HA LEU A 18 7.876 -8.574 2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.291 -8.018 1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.946 -6.851 2.579 1.00 0.00 H new ATOM 0 HG LEU A 18 8.219 -7.208 1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.926 -7.886 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.469 -9.205 0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.208 -8.230 -0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.578 -5.507 -0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.859 -5.846 -0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.870 -5.132 1.219 1.00 0.00 H new ATOM 257 N GLU A 19 6.933 -9.325 5.055 1.00 0.00 N ATOM 258 CA GLU A 19 6.418 -9.553 6.447 1.00 0.00 C ATOM 259 C GLU A 19 5.411 -8.452 6.843 1.00 0.00 C ATOM 260 O GLU A 19 4.884 -7.742 6.015 1.00 0.00 O ATOM 261 CB GLU A 19 7.598 -9.549 7.427 1.00 0.00 C ATOM 262 CG GLU A 19 8.615 -8.483 7.009 1.00 0.00 C ATOM 263 CD GLU A 19 7.899 -7.150 6.781 1.00 0.00 C ATOM 264 OE1 GLU A 19 7.382 -6.606 7.742 1.00 0.00 O ATOM 265 OE2 GLU A 19 7.880 -6.697 5.648 1.00 0.00 O ATOM 0 H GLU A 19 7.938 -9.463 4.952 1.00 0.00 H new ATOM 0 HA GLU A 19 5.908 -10.516 6.482 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.243 -9.349 8.438 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.072 -10.530 7.444 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.377 -8.371 7.781 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.127 -8.792 6.098 1.00 0.00 H new ATOM 272 N TYR A 20 5.113 -8.306 8.105 1.00 0.00 N ATOM 273 CA TYR A 20 4.111 -7.271 8.487 1.00 0.00 C ATOM 274 C TYR A 20 4.712 -5.863 8.469 1.00 0.00 C ATOM 275 O TYR A 20 5.652 -5.547 9.172 1.00 0.00 O ATOM 276 CB TYR A 20 3.546 -7.565 9.876 1.00 0.00 C ATOM 277 CG TYR A 20 2.199 -6.888 10.005 1.00 0.00 C ATOM 278 CD1 TYR A 20 1.256 -6.999 8.973 1.00 0.00 C ATOM 279 CD2 TYR A 20 1.898 -6.141 11.149 1.00 0.00 C ATOM 280 CE1 TYR A 20 0.013 -6.364 9.087 1.00 0.00 C ATOM 281 CE2 TYR A 20 0.656 -5.505 11.264 1.00 0.00 C ATOM 282 CZ TYR A 20 -0.287 -5.616 10.234 1.00 0.00 C ATOM 283 OH TYR A 20 -1.510 -4.986 10.348 1.00 0.00 O ATOM 0 H TYR A 20 5.510 -8.846 8.874 1.00 0.00 H new ATOM 0 HA TYR A 20 3.310 -7.309 7.749 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.444 -8.640 10.023 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.227 -7.201 10.646 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.489 -7.575 8.089 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.624 -6.055 11.944 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.713 -6.450 8.292 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.425 -4.928 12.147 1.00 0.00 H new ATOM 0 HH TYR A 20 -2.188 -5.496 9.856 1.00 0.00 H new ATOM 293 N ARG A 21 4.124 -5.021 7.667 1.00 0.00 N ATOM 294 CA ARG A 21 4.550 -3.600 7.536 1.00 0.00 C ATOM 295 C ARG A 21 3.352 -2.869 6.928 1.00 0.00 C ATOM 296 O ARG A 21 3.324 -2.620 5.747 1.00 0.00 O ATOM 297 CB ARG A 21 5.758 -3.496 6.601 1.00 0.00 C ATOM 298 CG ARG A 21 7.046 -3.659 7.409 1.00 0.00 C ATOM 299 CD ARG A 21 7.832 -2.345 7.388 1.00 0.00 C ATOM 300 NE ARG A 21 9.257 -2.624 7.047 1.00 0.00 N ATOM 301 CZ ARG A 21 9.725 -2.283 5.877 1.00 0.00 C ATOM 302 NH1 ARG A 21 8.948 -2.316 4.830 1.00 0.00 N ATOM 303 NH2 ARG A 21 10.969 -1.909 5.755 1.00 0.00 N ATOM 0 H ARG A 21 3.333 -5.271 7.073 1.00 0.00 H new ATOM 0 HA ARG A 21 4.842 -3.174 8.496 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.701 -4.264 5.829 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.755 -2.532 6.092 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.811 -3.938 8.436 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.651 -4.464 6.991 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.399 -1.661 6.658 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.769 -1.855 8.360 1.00 0.00 H new ATOM 0 HE ARG A 21 9.865 -3.081 7.727 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.975 -2.608 4.926 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.313 -2.050 3.915 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.576 -1.883 6.574 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.334 -1.643 4.841 1.00 0.00 H new ATOM 317 N PRO A 22 2.372 -2.615 7.762 1.00 0.00 N ATOM 318 CA PRO A 22 1.085 -2.000 7.352 1.00 0.00 C ATOM 319 C PRO A 22 1.202 -0.578 6.825 1.00 0.00 C ATOM 320 O PRO A 22 1.684 0.308 7.493 1.00 0.00 O ATOM 321 CB PRO A 22 0.238 -2.039 8.634 1.00 0.00 C ATOM 322 CG PRO A 22 1.231 -2.190 9.804 1.00 0.00 C ATOM 323 CD PRO A 22 2.476 -2.873 9.215 1.00 0.00 C ATOM 0 HA PRO A 22 0.653 -2.544 6.512 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.351 -1.128 8.739 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.465 -2.872 8.611 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.483 -1.219 10.230 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.800 -2.788 10.607 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.394 -2.456 9.630 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.485 -3.941 9.431 1.00 0.00 H new ATOM 331 N LEU A 23 0.696 -0.353 5.636 1.00 0.00 N ATOM 332 CA LEU A 23 0.699 1.011 5.062 1.00 0.00 C ATOM 333 C LEU A 23 -0.763 1.450 4.996 1.00 0.00 C ATOM 334 O LEU A 23 -1.588 0.779 4.406 1.00 0.00 O ATOM 335 CB LEU A 23 1.305 0.973 3.662 1.00 0.00 C ATOM 336 CG LEU A 23 2.722 0.406 3.748 1.00 0.00 C ATOM 337 CD1 LEU A 23 2.898 -0.697 2.707 1.00 0.00 C ATOM 338 CD2 LEU A 23 3.732 1.521 3.484 1.00 0.00 C ATOM 0 H LEU A 23 0.279 -1.069 5.041 1.00 0.00 H new ATOM 0 HA LEU A 23 1.289 1.703 5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.693 0.357 3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.326 1.975 3.233 1.00 0.00 H new ATOM 0 HG LEU A 23 2.886 -0.007 4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.909 -1.099 2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.178 -1.493 2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.733 -0.287 1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.743 1.118 3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.566 1.935 2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.609 2.307 4.229 1.00 0.00 H new ATOM 350 N CYS A 24 -1.115 2.536 5.622 1.00 0.00 N ATOM 351 CA CYS A 24 -2.546 2.940 5.591 1.00 0.00 C ATOM 352 C CYS A 24 -2.824 3.802 4.370 1.00 0.00 C ATOM 353 O CYS A 24 -1.928 4.256 3.688 1.00 0.00 O ATOM 354 CB CYS A 24 -2.928 3.686 6.873 1.00 0.00 C ATOM 355 SG CYS A 24 -4.231 2.750 7.705 1.00 0.00 S ATOM 0 H CYS A 24 -0.489 3.150 6.143 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.156 2.039 5.528 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.060 3.791 7.524 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.274 4.693 6.638 1.00 0.00 H new ATOM 360 N GLY A 25 -4.073 4.007 4.084 1.00 0.00 N ATOM 361 CA GLY A 25 -4.456 4.819 2.904 1.00 0.00 C ATOM 362 C GLY A 25 -5.134 6.093 3.360 1.00 0.00 C ATOM 363 O GLY A 25 -5.436 6.261 4.525 1.00 0.00 O ATOM 0 H GLY A 25 -4.856 3.641 4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.572 5.058 2.312 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.126 4.249 2.260 1.00 0.00 H new ATOM 367 N SER A 26 -5.380 7.003 2.465 1.00 0.00 N ATOM 368 CA SER A 26 -6.039 8.259 2.901 1.00 0.00 C ATOM 369 C SER A 26 -7.534 7.996 3.099 1.00 0.00 C ATOM 370 O SER A 26 -8.282 8.869 3.491 1.00 0.00 O ATOM 371 CB SER A 26 -5.838 9.350 1.852 1.00 0.00 C ATOM 372 OG SER A 26 -6.522 10.526 2.262 1.00 0.00 O ATOM 0 H SER A 26 -5.159 6.935 1.472 1.00 0.00 H new ATOM 0 HA SER A 26 -5.597 8.594 3.840 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.776 9.558 1.726 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.214 9.015 0.885 1.00 0.00 H new ATOM 0 HG SER A 26 -7.326 10.278 2.764 1.00 0.00 H new ATOM 378 N ASP A 27 -7.973 6.793 2.834 1.00 0.00 N ATOM 379 CA ASP A 27 -9.416 6.467 3.010 1.00 0.00 C ATOM 380 C ASP A 27 -9.647 5.915 4.422 1.00 0.00 C ATOM 381 O ASP A 27 -10.735 5.497 4.764 1.00 0.00 O ATOM 382 CB ASP A 27 -9.833 5.419 1.973 1.00 0.00 C ATOM 383 CG ASP A 27 -8.731 4.368 1.830 1.00 0.00 C ATOM 384 OD1 ASP A 27 -7.827 4.589 1.040 1.00 0.00 O ATOM 385 OD2 ASP A 27 -8.809 3.360 2.510 1.00 0.00 O ATOM 0 H ASP A 27 -7.392 6.023 2.503 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.013 7.369 2.873 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.765 4.943 2.277 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.019 5.898 1.012 1.00 0.00 H new ATOM 390 N ASN A 28 -8.631 5.920 5.245 1.00 0.00 N ATOM 391 CA ASN A 28 -8.781 5.407 6.639 1.00 0.00 C ATOM 392 C ASN A 28 -8.814 3.877 6.642 1.00 0.00 C ATOM 393 O ASN A 28 -9.404 3.265 7.511 1.00 0.00 O ATOM 394 CB ASN A 28 -10.078 5.942 7.250 1.00 0.00 C ATOM 395 CG ASN A 28 -10.232 7.426 6.917 1.00 0.00 C ATOM 396 OD1 ASN A 28 -11.258 7.844 6.418 1.00 0.00 O ATOM 397 ND2 ASN A 28 -9.250 8.245 7.175 1.00 0.00 N ATOM 0 H ASN A 28 -7.698 6.259 5.010 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.930 5.747 7.229 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.930 5.383 6.864 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.067 5.801 8.331 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.343 9.237 6.958 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -8.389 7.893 7.594 1.00 0.00 H new ATOM 404 N LYS A 29 -8.180 3.251 5.690 1.00 0.00 N ATOM 405 CA LYS A 29 -8.173 1.761 5.659 1.00 0.00 C ATOM 406 C LYS A 29 -6.733 1.266 5.832 1.00 0.00 C ATOM 407 O LYS A 29 -5.793 1.914 5.416 1.00 0.00 O ATOM 408 CB LYS A 29 -8.740 1.270 4.325 1.00 0.00 C ATOM 409 CG LYS A 29 -9.448 -0.068 4.532 1.00 0.00 C ATOM 410 CD LYS A 29 -10.935 0.176 4.804 1.00 0.00 C ATOM 411 CE LYS A 29 -11.671 0.385 3.478 1.00 0.00 C ATOM 412 NZ LYS A 29 -11.754 1.842 3.183 1.00 0.00 N ATOM 0 H LYS A 29 -7.668 3.705 4.934 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.791 1.371 6.467 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.438 2.004 3.922 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.938 1.160 3.596 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.327 -0.695 3.649 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.998 -0.604 5.368 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.361 -0.673 5.339 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.060 1.050 5.443 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.147 -0.131 2.673 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.672 -0.044 3.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.690 2.063 2.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.613 2.382 4.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.017 2.100 2.496 1.00 0.00 H new ATOM 426 N THR A 30 -6.547 0.133 6.455 1.00 0.00 N ATOM 427 CA THR A 30 -5.161 -0.381 6.662 1.00 0.00 C ATOM 428 C THR A 30 -4.880 -1.550 5.726 1.00 0.00 C ATOM 429 O THR A 30 -5.691 -2.440 5.562 1.00 0.00 O ATOM 430 CB THR A 30 -4.999 -0.869 8.104 1.00 0.00 C ATOM 431 OG1 THR A 30 -5.031 0.241 8.986 1.00 0.00 O ATOM 432 CG2 THR A 30 -3.661 -1.608 8.246 1.00 0.00 C ATOM 0 H THR A 30 -7.291 -0.457 6.828 1.00 0.00 H new ATOM 0 HA THR A 30 -4.463 0.430 6.455 1.00 0.00 H new ATOM 0 HB THR A 30 -5.814 -1.549 8.353 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.136 1.067 8.469 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.545 -1.956 9.272 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.644 -2.462 7.569 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.843 -0.931 7.997 1.00 0.00 H new ATOM 440 N TYR A 31 -3.719 -1.571 5.137 1.00 0.00 N ATOM 441 CA TYR A 31 -3.361 -2.698 4.241 1.00 0.00 C ATOM 442 C TYR A 31 -2.182 -3.441 4.866 1.00 0.00 C ATOM 443 O TYR A 31 -1.266 -2.833 5.387 1.00 0.00 O ATOM 444 CB TYR A 31 -3.005 -2.150 2.861 1.00 0.00 C ATOM 445 CG TYR A 31 -4.287 -1.737 2.180 1.00 0.00 C ATOM 446 CD1 TYR A 31 -5.052 -2.687 1.492 1.00 0.00 C ATOM 447 CD2 TYR A 31 -4.724 -0.409 2.253 1.00 0.00 C ATOM 448 CE1 TYR A 31 -6.250 -2.308 0.874 1.00 0.00 C ATOM 449 CE2 TYR A 31 -5.923 -0.031 1.637 1.00 0.00 C ATOM 450 CZ TYR A 31 -6.685 -0.979 0.948 1.00 0.00 C ATOM 451 OH TYR A 31 -7.866 -0.606 0.340 1.00 0.00 O ATOM 0 H TYR A 31 -3.002 -0.853 5.239 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.196 -3.389 4.121 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.330 -1.299 2.951 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.487 -2.907 2.272 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.718 -3.713 1.438 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.136 0.324 2.785 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.838 -3.040 0.341 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.259 0.994 1.694 1.00 0.00 H new ATOM 0 HH TYR A 31 -8.022 0.350 0.488 1.00 0.00 H new ATOM 461 N GLY A 32 -2.220 -4.750 4.863 1.00 0.00 N ATOM 462 CA GLY A 32 -1.125 -5.528 5.504 1.00 0.00 C ATOM 463 C GLY A 32 0.225 -4.874 5.230 1.00 0.00 C ATOM 464 O GLY A 32 0.981 -4.609 6.142 1.00 0.00 O ATOM 0 H GLY A 32 -2.963 -5.310 4.444 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.295 -5.589 6.579 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.125 -6.549 5.123 1.00 0.00 H new ATOM 468 N ASN A 33 0.548 -4.597 3.997 1.00 0.00 N ATOM 469 CA ASN A 33 1.857 -3.948 3.747 1.00 0.00 C ATOM 470 C ASN A 33 1.917 -3.300 2.367 1.00 0.00 C ATOM 471 O ASN A 33 0.952 -2.755 1.879 1.00 0.00 O ATOM 472 CB ASN A 33 2.979 -4.972 3.897 1.00 0.00 C ATOM 473 CG ASN A 33 2.939 -5.963 2.736 1.00 0.00 C ATOM 474 OD1 ASN A 33 2.146 -5.828 1.826 1.00 0.00 O ATOM 475 ND2 ASN A 33 3.773 -6.961 2.739 1.00 0.00 N ATOM 0 H ASN A 33 -0.023 -4.787 3.174 1.00 0.00 H new ATOM 0 HA ASN A 33 1.983 -3.156 4.485 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.944 -4.466 3.921 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.874 -5.503 4.843 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.764 -7.636 1.974 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.437 -7.069 3.506 1.00 0.00 H new ATOM 482 N LYS A 34 3.077 -3.298 1.775 1.00 0.00 N ATOM 483 CA LYS A 34 3.265 -2.632 0.463 1.00 0.00 C ATOM 484 C LYS A 34 2.424 -3.283 -0.649 1.00 0.00 C ATOM 485 O LYS A 34 1.866 -2.591 -1.473 1.00 0.00 O ATOM 486 CB LYS A 34 4.769 -2.664 0.128 1.00 0.00 C ATOM 487 CG LYS A 34 5.065 -3.549 -1.092 1.00 0.00 C ATOM 488 CD LYS A 34 6.516 -3.334 -1.534 1.00 0.00 C ATOM 489 CE LYS A 34 6.719 -3.902 -2.941 1.00 0.00 C ATOM 490 NZ LYS A 34 7.863 -3.207 -3.599 1.00 0.00 N ATOM 0 H LYS A 34 3.916 -3.738 2.154 1.00 0.00 H new ATOM 0 HA LYS A 34 2.916 -1.601 0.527 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.120 -1.650 -0.065 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.325 -3.035 0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.900 -4.597 -0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.384 -3.304 -1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.755 -2.271 -1.523 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.195 -3.821 -0.834 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.913 -4.973 -2.888 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.812 -3.771 -3.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.001 -3.593 -4.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.660 -2.189 -3.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.727 -3.354 -3.039 1.00 0.00 H new ATOM 504 N CYS A 35 2.340 -4.584 -0.716 1.00 0.00 N ATOM 505 CA CYS A 35 1.540 -5.192 -1.815 1.00 0.00 C ATOM 506 C CYS A 35 0.048 -5.023 -1.534 1.00 0.00 C ATOM 507 O CYS A 35 -0.734 -4.789 -2.431 1.00 0.00 O ATOM 508 CB CYS A 35 1.858 -6.684 -1.958 1.00 0.00 C ATOM 509 SG CYS A 35 0.681 -7.420 -3.127 1.00 0.00 S ATOM 0 H CYS A 35 2.781 -5.240 -0.071 1.00 0.00 H new ATOM 0 HA CYS A 35 1.800 -4.683 -2.743 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.879 -6.820 -2.314 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.789 -7.180 -0.990 1.00 0.00 H new ATOM 514 N ASN A 36 -0.360 -5.152 -0.307 1.00 0.00 N ATOM 515 CA ASN A 36 -1.809 -5.006 0.002 1.00 0.00 C ATOM 516 C ASN A 36 -2.185 -3.525 -0.060 1.00 0.00 C ATOM 517 O ASN A 36 -3.317 -3.170 -0.313 1.00 0.00 O ATOM 518 CB ASN A 36 -2.096 -5.580 1.388 1.00 0.00 C ATOM 519 CG ASN A 36 -1.817 -7.084 1.354 1.00 0.00 C ATOM 520 OD1 ASN A 36 -2.729 -7.883 1.277 1.00 0.00 O ATOM 521 ND2 ASN A 36 -0.582 -7.505 1.404 1.00 0.00 N ATOM 0 H ASN A 36 0.241 -5.351 0.493 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.406 -5.553 -0.728 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.470 -5.095 2.137 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.132 -5.393 1.669 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.383 -8.505 1.378 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.183 -6.834 1.469 1.00 0.00 H new ATOM 528 N PHE A 37 -1.230 -2.658 0.134 1.00 0.00 N ATOM 529 CA PHE A 37 -1.513 -1.197 0.055 1.00 0.00 C ATOM 530 C PHE A 37 -1.486 -0.788 -1.387 1.00 0.00 C ATOM 531 O PHE A 37 -2.184 0.097 -1.837 1.00 0.00 O ATOM 532 CB PHE A 37 -0.420 -0.407 0.768 1.00 0.00 C ATOM 533 CG PHE A 37 -0.795 1.044 0.732 1.00 0.00 C ATOM 534 CD1 PHE A 37 -1.957 1.510 1.339 1.00 0.00 C ATOM 535 CD2 PHE A 37 0.015 1.911 0.005 1.00 0.00 C ATOM 536 CE1 PHE A 37 -2.308 2.864 1.218 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.321 3.256 -0.113 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.485 3.737 0.490 1.00 0.00 C ATOM 0 H PHE A 37 -0.262 -2.900 0.345 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.480 -0.999 0.517 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.315 -0.747 1.798 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.542 -0.564 0.281 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.585 0.834 1.900 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.910 1.538 -0.471 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.210 3.233 1.684 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.317 3.926 -0.670 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.752 4.779 0.396 1.00 0.00 H new ATOM 548 N CYS A 38 -0.641 -1.432 -2.089 1.00 0.00 N ATOM 549 CA CYS A 38 -0.463 -1.123 -3.528 1.00 0.00 C ATOM 550 C CYS A 38 -1.677 -1.601 -4.317 1.00 0.00 C ATOM 551 O CYS A 38 -2.125 -0.936 -5.219 1.00 0.00 O ATOM 552 CB CYS A 38 0.791 -1.815 -4.050 1.00 0.00 C ATOM 553 SG CYS A 38 2.241 -0.797 -3.687 1.00 0.00 S ATOM 0 H CYS A 38 -0.045 -2.179 -1.733 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.360 -0.045 -3.650 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.897 -2.796 -3.586 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.708 -1.978 -5.125 1.00 0.00 H new ATOM 558 N ASN A 39 -2.217 -2.739 -3.988 1.00 0.00 N ATOM 559 CA ASN A 39 -3.409 -3.225 -4.736 1.00 0.00 C ATOM 560 C ASN A 39 -4.507 -2.175 -4.618 1.00 0.00 C ATOM 561 O ASN A 39 -5.267 -1.947 -5.536 1.00 0.00 O ATOM 562 CB ASN A 39 -3.895 -4.547 -4.136 1.00 0.00 C ATOM 563 CG ASN A 39 -2.854 -5.636 -4.376 1.00 0.00 C ATOM 564 OD1 ASN A 39 -2.260 -5.705 -5.433 1.00 0.00 O ATOM 565 ND2 ASN A 39 -2.609 -6.502 -3.433 1.00 0.00 N ATOM 0 H ASN A 39 -1.889 -3.350 -3.240 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.153 -3.389 -5.783 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.071 -4.429 -3.067 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.845 -4.834 -4.586 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.918 -7.238 -3.583 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.108 -6.444 -2.545 1.00 0.00 H new ATOM 572 N ALA A 40 -4.584 -1.523 -3.492 1.00 0.00 N ATOM 573 CA ALA A 40 -5.617 -0.472 -3.306 1.00 0.00 C ATOM 574 C ALA A 40 -5.198 0.773 -4.088 1.00 0.00 C ATOM 575 O ALA A 40 -6.018 1.547 -4.539 1.00 0.00 O ATOM 576 CB ALA A 40 -5.724 -0.130 -1.822 1.00 0.00 C ATOM 0 H ALA A 40 -3.972 -1.675 -2.690 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.583 -0.827 -3.666 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.481 0.641 -1.680 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.005 -1.022 -1.262 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.762 0.235 -1.463 1.00 0.00 H new ATOM 582 N VAL A 41 -3.918 0.966 -4.244 1.00 0.00 N ATOM 583 CA VAL A 41 -3.418 2.153 -4.991 1.00 0.00 C ATOM 584 C VAL A 41 -3.704 1.976 -6.482 1.00 0.00 C ATOM 585 O VAL A 41 -3.943 2.926 -7.199 1.00 0.00 O ATOM 586 CB VAL A 41 -1.903 2.263 -4.796 1.00 0.00 C ATOM 587 CG1 VAL A 41 -1.324 3.258 -5.806 1.00 0.00 C ATOM 588 CG2 VAL A 41 -1.596 2.734 -3.374 1.00 0.00 C ATOM 0 H VAL A 41 -3.192 0.347 -3.883 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.915 3.050 -4.622 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.450 1.284 -4.954 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.246 3.334 -5.665 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.534 2.913 -6.818 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.780 4.237 -5.655 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.517 2.810 -3.241 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.052 3.710 -3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.000 2.018 -2.658 1.00 0.00 H new ATOM 598 N VAL A 42 -3.649 0.766 -6.958 1.00 0.00 N ATOM 599 CA VAL A 42 -3.879 0.515 -8.395 1.00 0.00 C ATOM 600 C VAL A 42 -5.371 0.269 -8.656 1.00 0.00 C ATOM 601 O VAL A 42 -5.837 0.387 -9.772 1.00 0.00 O ATOM 602 CB VAL A 42 -3.051 -0.704 -8.806 1.00 0.00 C ATOM 603 CG1 VAL A 42 -3.236 -1.836 -7.796 1.00 0.00 C ATOM 604 CG2 VAL A 42 -3.496 -1.176 -10.177 1.00 0.00 C ATOM 0 H VAL A 42 -3.452 -0.066 -6.402 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.576 1.381 -8.983 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.998 -0.423 -8.834 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.641 -2.697 -8.101 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.911 -1.501 -6.811 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.288 -2.118 -7.755 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.907 -2.045 -10.472 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.551 -1.447 -10.144 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.350 -0.376 -10.902 1.00 0.00 H new ATOM 614 N GLU A 43 -6.132 -0.048 -7.640 1.00 0.00 N ATOM 615 CA GLU A 43 -7.578 -0.271 -7.835 1.00 0.00 C ATOM 616 C GLU A 43 -8.312 1.049 -7.600 1.00 0.00 C ATOM 617 O GLU A 43 -9.436 1.236 -8.023 1.00 0.00 O ATOM 618 CB GLU A 43 -8.082 -1.309 -6.833 1.00 0.00 C ATOM 619 CG GLU A 43 -7.647 -0.967 -5.428 1.00 0.00 C ATOM 620 CD GLU A 43 -8.853 -0.461 -4.633 1.00 0.00 C ATOM 621 OE1 GLU A 43 -9.964 -0.829 -4.980 1.00 0.00 O ATOM 622 OE2 GLU A 43 -8.645 0.286 -3.692 1.00 0.00 O ATOM 0 H GLU A 43 -5.803 -0.160 -6.681 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.760 -0.632 -8.847 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.170 -1.363 -6.877 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.703 -2.294 -7.104 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.220 -1.845 -4.943 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.867 -0.206 -5.452 1.00 0.00 H new ATOM 629 N SER A 44 -7.680 1.962 -6.913 1.00 0.00 N ATOM 630 CA SER A 44 -8.328 3.273 -6.626 1.00 0.00 C ATOM 631 C SER A 44 -7.857 4.318 -7.639 1.00 0.00 C ATOM 632 O SER A 44 -8.154 5.489 -7.519 1.00 0.00 O ATOM 633 CB SER A 44 -7.945 3.724 -5.214 1.00 0.00 C ATOM 634 OG SER A 44 -6.537 3.903 -5.147 1.00 0.00 O ATOM 0 H SER A 44 -6.738 1.855 -6.537 1.00 0.00 H new ATOM 0 HA SER A 44 -9.410 3.166 -6.700 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.454 4.655 -4.966 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.265 2.981 -4.483 1.00 0.00 H new ATOM 0 HG SER A 44 -6.100 3.030 -5.067 1.00 0.00 H new ATOM 640 N ASN A 45 -7.119 3.906 -8.633 1.00 0.00 N ATOM 641 CA ASN A 45 -6.626 4.880 -9.646 1.00 0.00 C ATOM 642 C ASN A 45 -5.471 5.686 -9.045 1.00 0.00 C ATOM 643 O ASN A 45 -5.038 6.678 -9.597 1.00 0.00 O ATOM 644 CB ASN A 45 -7.758 5.828 -10.046 1.00 0.00 C ATOM 645 CG ASN A 45 -7.864 5.880 -11.571 1.00 0.00 C ATOM 646 OD1 ASN A 45 -7.491 6.859 -12.186 1.00 0.00 O ATOM 647 ND2 ASN A 45 -8.361 4.858 -12.210 1.00 0.00 N ATOM 0 H ASN A 45 -6.837 2.938 -8.787 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.281 4.344 -10.530 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.700 5.488 -9.617 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -7.569 6.826 -9.650 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -8.437 4.880 -13.227 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -8.674 4.036 -11.693 1.00 0.00 H new ATOM 654 N GLY A 46 -4.972 5.262 -7.916 1.00 0.00 N ATOM 655 CA GLY A 46 -3.845 5.992 -7.270 1.00 0.00 C ATOM 656 C GLY A 46 -4.385 7.199 -6.500 1.00 0.00 C ATOM 657 O GLY A 46 -3.655 8.114 -6.173 1.00 0.00 O ATOM 0 H GLY A 46 -5.298 4.438 -7.411 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.309 5.327 -6.593 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.131 6.320 -8.026 1.00 0.00 H new ATOM 661 N THR A 47 -5.654 7.202 -6.197 1.00 0.00 N ATOM 662 CA THR A 47 -6.234 8.343 -5.435 1.00 0.00 C ATOM 663 C THR A 47 -6.344 7.949 -3.956 1.00 0.00 C ATOM 664 O THR A 47 -6.922 8.655 -3.153 1.00 0.00 O ATOM 665 CB THR A 47 -7.620 8.692 -6.003 1.00 0.00 C ATOM 666 OG1 THR A 47 -7.913 10.054 -5.728 1.00 0.00 O ATOM 667 CG2 THR A 47 -8.698 7.802 -5.374 1.00 0.00 C ATOM 0 H THR A 47 -6.314 6.464 -6.444 1.00 0.00 H new ATOM 0 HA THR A 47 -5.592 9.219 -5.526 1.00 0.00 H new ATOM 0 HB THR A 47 -7.611 8.524 -7.080 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.795 10.278 -6.091 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.672 8.063 -5.788 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.479 6.757 -5.592 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.710 7.953 -4.295 1.00 0.00 H new ATOM 675 N LEU A 48 -5.790 6.823 -3.598 1.00 0.00 N ATOM 676 CA LEU A 48 -5.850 6.366 -2.182 1.00 0.00 C ATOM 677 C LEU A 48 -4.782 7.112 -1.377 1.00 0.00 C ATOM 678 O LEU A 48 -5.042 7.683 -0.339 1.00 0.00 O ATOM 679 CB LEU A 48 -5.630 4.830 -2.162 1.00 0.00 C ATOM 680 CG LEU A 48 -4.351 4.430 -1.403 1.00 0.00 C ATOM 681 CD1 LEU A 48 -4.534 4.682 0.086 1.00 0.00 C ATOM 682 CD2 LEU A 48 -4.065 2.945 -1.627 1.00 0.00 C ATOM 0 H LEU A 48 -5.295 6.196 -4.232 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.817 6.581 -1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.490 4.348 -1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.572 4.461 -3.186 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.517 5.026 -1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.626 4.397 0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.736 5.740 0.254 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.371 4.090 0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.160 2.664 -1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.904 2.354 -1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.927 2.758 -2.692 1.00 0.00 H new ATOM 694 N THR A 49 -3.589 7.098 -1.866 1.00 0.00 N ATOM 695 CA THR A 49 -2.461 7.771 -1.187 1.00 0.00 C ATOM 696 C THR A 49 -2.273 7.174 0.196 1.00 0.00 C ATOM 697 O THR A 49 -3.211 6.953 0.927 1.00 0.00 O ATOM 698 CB THR A 49 -2.725 9.262 -1.070 1.00 0.00 C ATOM 699 OG1 THR A 49 -3.566 9.512 0.048 1.00 0.00 O ATOM 700 CG2 THR A 49 -3.394 9.769 -2.348 1.00 0.00 C ATOM 0 H THR A 49 -3.337 6.633 -2.738 1.00 0.00 H new ATOM 0 HA THR A 49 -1.556 7.623 -1.776 1.00 0.00 H new ATOM 0 HB THR A 49 -1.780 9.786 -0.931 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.041 8.690 0.291 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.582 10.839 -2.260 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.739 9.584 -3.199 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.339 9.246 -2.496 1.00 0.00 H new ATOM 708 N LEU A 50 -1.062 6.916 0.557 1.00 0.00 N ATOM 709 CA LEU A 50 -0.791 6.333 1.884 1.00 0.00 C ATOM 710 C LEU A 50 -0.991 7.425 2.941 1.00 0.00 C ATOM 711 O LEU A 50 -0.433 8.501 2.853 1.00 0.00 O ATOM 712 CB LEU A 50 0.645 5.806 1.859 1.00 0.00 C ATOM 713 CG LEU A 50 1.260 5.801 3.251 1.00 0.00 C ATOM 714 CD1 LEU A 50 0.730 4.595 4.019 1.00 0.00 C ATOM 715 CD2 LEU A 50 2.778 5.695 3.111 1.00 0.00 C ATOM 0 H LEU A 50 -0.236 7.086 -0.017 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.464 5.511 2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.656 4.795 1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.249 6.424 1.195 1.00 0.00 H new ATOM 0 HG LEU A 50 1.002 6.715 3.787 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.164 4.581 5.019 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.355 4.661 4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.002 3.680 3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.235 5.690 4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.032 4.772 2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.151 6.547 2.543 1.00 0.00 H new ATOM 727 N SER A 51 -1.803 7.159 3.926 1.00 0.00 N ATOM 728 CA SER A 51 -2.068 8.179 4.979 1.00 0.00 C ATOM 729 C SER A 51 -0.917 8.235 5.955 1.00 0.00 C ATOM 730 O SER A 51 -0.797 9.136 6.758 1.00 0.00 O ATOM 731 CB SER A 51 -3.368 7.806 5.685 1.00 0.00 C ATOM 732 OG SER A 51 -3.686 8.769 6.679 1.00 0.00 O ATOM 0 H SER A 51 -2.297 6.275 4.047 1.00 0.00 H new ATOM 0 HA SER A 51 -2.166 9.169 4.533 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.178 7.743 4.959 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.271 6.821 6.142 1.00 0.00 H new ATOM 0 HG SER A 51 -3.174 8.580 7.493 1.00 0.00 H new ATOM 738 N HIS A 52 -0.067 7.283 5.858 1.00 0.00 N ATOM 739 CA HIS A 52 1.124 7.230 6.752 1.00 0.00 C ATOM 740 C HIS A 52 1.666 5.802 6.776 1.00 0.00 C ATOM 741 O HIS A 52 0.926 4.848 6.631 1.00 0.00 O ATOM 742 CB HIS A 52 0.727 7.641 8.170 1.00 0.00 C ATOM 743 CG HIS A 52 -0.566 6.970 8.523 1.00 0.00 C ATOM 744 ND1 HIS A 52 -1.875 7.372 8.412 1.00 0.00 N flip ATOM 745 CD2 HIS A 52 -0.602 5.691 9.044 1.00 0.00 C flip ATOM 746 CE1 HIS A 52 -2.712 6.352 8.858 1.00 0.00 C flip ATOM 747 NE2 HIS A 52 -1.890 5.363 9.226 1.00 0.00 N flip ATOM 0 H HIS A 52 -0.134 6.516 5.189 1.00 0.00 H new ATOM 0 HA HIS A 52 1.887 7.913 6.380 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.506 7.356 8.878 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.620 8.724 8.233 1.00 0.00 H new ATOM 0 HD2 HIS A 52 0.252 5.068 9.265 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -3.791 6.358 8.898 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -2.205 4.468 9.600 1.00 0.00 H new ATOM 755 N PHE A 53 2.946 5.638 6.960 1.00 0.00 N ATOM 756 CA PHE A 53 3.511 4.264 6.995 1.00 0.00 C ATOM 757 C PHE A 53 3.126 3.595 8.312 1.00 0.00 C ATOM 758 O PHE A 53 3.581 3.972 9.373 1.00 0.00 O ATOM 759 CB PHE A 53 5.029 4.323 6.881 1.00 0.00 C ATOM 760 CG PHE A 53 5.408 4.736 5.479 1.00 0.00 C ATOM 761 CD1 PHE A 53 5.294 6.076 5.092 1.00 0.00 C ATOM 762 CD2 PHE A 53 5.868 3.780 4.566 1.00 0.00 C ATOM 763 CE1 PHE A 53 5.642 6.461 3.792 1.00 0.00 C ATOM 764 CE2 PHE A 53 6.215 4.165 3.265 1.00 0.00 C ATOM 765 CZ PHE A 53 6.101 5.506 2.878 1.00 0.00 C ATOM 0 H PHE A 53 3.621 6.392 7.087 1.00 0.00 H new ATOM 0 HA PHE A 53 3.113 3.689 6.159 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.432 5.033 7.603 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.461 3.350 7.115 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.938 6.813 5.796 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.955 2.746 4.865 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.556 7.496 3.494 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.570 3.428 2.560 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.367 5.803 1.874 1.00 0.00 H new ATOM 775 N GLY A 54 2.279 2.613 8.246 1.00 0.00 N ATOM 776 CA GLY A 54 1.841 1.916 9.472 1.00 0.00 C ATOM 777 C GLY A 54 0.334 1.705 9.396 1.00 0.00 C ATOM 778 O GLY A 54 -0.307 2.038 8.420 1.00 0.00 O ATOM 0 H GLY A 54 1.868 2.261 7.381 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.353 0.959 9.567 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.097 2.503 10.354 1.00 0.00 H new ATOM 782 N LYS A 55 -0.231 1.180 10.430 1.00 0.00 N ATOM 783 CA LYS A 55 -1.710 0.968 10.447 1.00 0.00 C ATOM 784 C LYS A 55 -2.397 2.275 10.864 1.00 0.00 C ATOM 785 O LYS A 55 -1.819 3.106 11.537 1.00 0.00 O ATOM 786 CB LYS A 55 -2.107 -0.144 11.435 1.00 0.00 C ATOM 787 CG LYS A 55 -0.932 -0.515 12.344 1.00 0.00 C ATOM 788 CD LYS A 55 -1.422 -1.459 13.442 1.00 0.00 C ATOM 789 CE LYS A 55 -1.462 -2.890 12.905 1.00 0.00 C ATOM 790 NZ LYS A 55 -2.818 -3.175 12.355 1.00 0.00 N ATOM 0 H LYS A 55 0.260 0.883 11.274 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.025 0.667 9.448 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.950 0.187 12.041 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.437 -1.024 10.884 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.144 -0.993 11.762 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.501 0.383 12.786 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.761 -1.402 14.307 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.414 -1.158 13.779 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.708 -3.020 12.129 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.225 -3.596 13.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.320 -3.828 12.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.354 -2.287 12.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.727 -3.609 11.414 1.00 0.00 H new ATOM 804 N CYS A 56 -3.627 2.460 10.470 1.00 0.00 N ATOM 805 CA CYS A 56 -4.363 3.705 10.834 1.00 0.00 C ATOM 806 C CYS A 56 -4.559 3.758 12.350 1.00 0.00 C ATOM 807 O CYS A 56 -4.975 2.757 12.909 1.00 0.00 O ATOM 808 CB CYS A 56 -5.728 3.708 10.142 1.00 0.00 C ATOM 809 SG CYS A 56 -5.507 4.149 8.401 1.00 0.00 S ATOM 810 OXT CYS A 56 -4.287 4.799 12.926 1.00 0.00 O ATOM 0 H CYS A 56 -4.159 1.796 9.907 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.789 4.574 10.513 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -6.194 2.726 10.225 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.395 4.420 10.629 1.00 0.00 H new TER 815 CYS A 56