USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 516 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 Single : A 1 ASN : amide:sc= 0.0554 K(o=0.055,f=-2.3!) USER MOD Single : A 1 ASN N :NH3+ -162:sc= 0.206 (180deg=0.0565) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -112:sc= 0.648 (180deg=-0.0602) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 23 SER OG : rot -31:sc= 0.0295 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -33:sc= 0.0944 USER MOD Single : A 29 THR OG1 : rot 112:sc= 0.363 USER MOD Single : A 35 SER OG : rot -35:sc= 0.0513 USER MOD Single : A 36 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00771) USER MOD Single : A 38 THR OG1 : rot 176:sc= 0.728 USER MOD Single : A 41 LYS NZ :NH3+ 173:sc= 0.535 (180deg=0.508) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.012) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 55 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00177) USER MOD Single : A 58 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.62) USER MOD Single : A 61 SER OG : rot 170:sc= -0.57 USER MOD Single : A 63 SER OG : rot 80:sc= 0.00932 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0.706 K(o=0.71,f=-0.72) USER MOD Single : A 69 LYS NZ :NH3+ -157:sc= 1.33 (180deg=0.243) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 11.715 31.423 29.834 1.00 20.00 N ATOM 2 CA ASN A 1 13.014 31.779 29.235 1.00 20.00 C ATOM 3 C ASN A 1 13.351 30.845 28.071 1.00 20.00 C ATOM 4 O ASN A 1 14.043 29.843 28.239 1.00 20.00 O ATOM 5 CB ASN A 1 14.128 31.893 30.297 1.00 20.00 C ATOM 6 CG ASN A 1 14.344 30.679 31.214 1.00 20.00 C ATOM 7 OD1 ASN A 1 13.650 29.666 31.143 1.00 20.00 O ATOM 8 ND2 ASN A 1 15.328 30.789 32.105 1.00 20.00 N ATOM 0 H1 ASN A 1 11.362 32.222 30.398 1.00 20.00 H new ATOM 0 H2 ASN A 1 11.033 31.204 29.080 1.00 20.00 H new ATOM 0 H3 ASN A 1 11.832 30.591 30.447 1.00 20.00 H new ATOM 0 HA ASN A 1 12.936 32.778 28.807 1.00 20.00 H new ATOM 0 HB2 ASN A 1 15.066 32.100 29.783 1.00 20.00 H new ATOM 0 HB3 ASN A 1 13.911 32.757 30.925 1.00 20.00 H new ATOM 0 HD21 ASN A 1 15.521 30.022 32.749 1.00 20.00 H new ATOM 0 HD22 ASN A 1 15.889 31.640 32.143 1.00 20.00 H new ATOM 17 N GLU A 2 12.824 31.181 26.886 1.00 20.00 N ATOM 18 CA GLU A 2 12.865 30.329 25.698 1.00 20.00 C ATOM 19 C GLU A 2 14.291 30.095 25.176 1.00 20.00 C ATOM 20 O GLU A 2 14.614 28.960 24.832 1.00 20.00 O ATOM 21 CB GLU A 2 11.971 30.941 24.608 1.00 20.00 C ATOM 22 CG GLU A 2 11.516 29.912 23.566 1.00 20.00 C ATOM 23 CD GLU A 2 10.553 28.831 24.074 1.00 20.00 C ATOM 24 OE1 GLU A 2 10.340 27.866 23.341 1.00 20.00 O ATOM 25 OE2 GLU A 2 10.007 29.005 25.211 1.00 20.00 O ATOM 0 H GLU A 2 12.349 32.070 26.727 1.00 20.00 H new ATOM 0 HA GLU A 2 12.487 29.346 25.979 1.00 20.00 H new ATOM 0 HB2 GLU A 2 11.095 31.392 25.074 1.00 20.00 H new ATOM 0 HB3 GLU A 2 12.514 31.743 24.107 1.00 20.00 H new ATOM 0 HG2 GLU A 2 11.036 30.443 22.744 1.00 20.00 H new ATOM 0 HG3 GLU A 2 12.399 29.422 23.156 1.00 20.00 H new ATOM 32 N CYS A 3 15.146 31.132 25.158 1.00 20.00 N ATOM 33 CA CYS A 3 16.555 31.028 24.761 1.00 20.00 C ATOM 34 C CYS A 3 17.298 30.013 25.640 1.00 20.00 C ATOM 35 O CYS A 3 17.925 29.088 25.123 1.00 20.00 O ATOM 36 CB CYS A 3 17.228 32.406 24.864 1.00 20.00 C ATOM 37 SG CYS A 3 16.573 33.650 23.724 1.00 20.00 S ATOM 0 H CYS A 3 14.871 32.078 25.423 1.00 20.00 H new ATOM 0 HA CYS A 3 16.598 30.681 23.729 1.00 20.00 H new ATOM 0 HB2 CYS A 3 17.119 32.774 25.884 1.00 20.00 H new ATOM 0 HB3 CYS A 3 18.296 32.289 24.679 1.00 20.00 H new ATOM 42 N VAL A 4 17.193 30.185 26.965 1.00 20.00 N ATOM 43 CA VAL A 4 17.871 29.394 27.989 1.00 20.00 C ATOM 44 C VAL A 4 17.385 27.936 27.985 1.00 20.00 C ATOM 45 O VAL A 4 18.190 27.029 28.199 1.00 20.00 O ATOM 46 CB VAL A 4 17.656 30.056 29.373 1.00 20.00 C ATOM 47 CG1 VAL A 4 18.374 29.284 30.493 1.00 20.00 C ATOM 48 CG2 VAL A 4 18.171 31.508 29.397 1.00 20.00 C ATOM 0 H VAL A 4 16.604 30.915 27.366 1.00 20.00 H new ATOM 0 HA VAL A 4 18.938 29.371 27.769 1.00 20.00 H new ATOM 0 HB VAL A 4 16.580 30.041 29.544 1.00 20.00 H new ATOM 0 HG11 VAL A 4 18.199 29.780 31.447 1.00 20.00 H new ATOM 0 HG12 VAL A 4 17.989 28.265 30.538 1.00 20.00 H new ATOM 0 HG13 VAL A 4 19.444 29.258 30.289 1.00 20.00 H new ATOM 0 HG21 VAL A 4 18.002 31.938 30.384 1.00 20.00 H new ATOM 0 HG22 VAL A 4 19.238 31.519 29.174 1.00 20.00 H new ATOM 0 HG23 VAL A 4 17.638 32.096 28.650 1.00 20.00 H new ATOM 58 N SER A 5 16.087 27.709 27.722 1.00 20.00 N ATOM 59 CA SER A 5 15.466 26.386 27.679 1.00 20.00 C ATOM 60 C SER A 5 16.025 25.525 26.536 1.00 20.00 C ATOM 61 O SER A 5 16.198 24.318 26.719 1.00 20.00 O ATOM 62 CB SER A 5 13.944 26.545 27.558 1.00 20.00 C ATOM 63 OG SER A 5 13.296 25.281 27.562 1.00 20.00 O ATOM 0 H SER A 5 15.429 28.464 27.529 1.00 20.00 H new ATOM 0 HA SER A 5 15.703 25.863 28.605 1.00 20.00 H new ATOM 0 HB2 SER A 5 13.572 27.151 28.384 1.00 20.00 H new ATOM 0 HB3 SER A 5 13.703 27.078 26.638 1.00 20.00 H new ATOM 0 HG SER A 5 12.328 25.410 27.485 1.00 20.00 H new ATOM 69 N LYS A 6 16.339 26.144 25.387 1.00 20.00 N ATOM 70 CA LYS A 6 16.987 25.474 24.258 1.00 20.00 C ATOM 71 C LYS A 6 18.494 25.285 24.492 1.00 20.00 C ATOM 72 O LYS A 6 19.112 24.458 23.825 1.00 20.00 O ATOM 73 CB LYS A 6 16.760 26.295 22.972 1.00 20.00 C ATOM 74 CG LYS A 6 15.289 26.510 22.572 1.00 20.00 C ATOM 75 CD LYS A 6 14.572 25.228 22.121 1.00 20.00 C ATOM 76 CE LYS A 6 13.090 25.511 21.858 1.00 20.00 C ATOM 77 NZ LYS A 6 12.359 25.800 23.108 1.00 20.00 N ATOM 0 H LYS A 6 16.147 27.131 25.218 1.00 20.00 H new ATOM 0 HA LYS A 6 16.541 24.485 24.156 1.00 20.00 H new ATOM 0 HB2 LYS A 6 17.230 27.270 23.097 1.00 20.00 H new ATOM 0 HB3 LYS A 6 17.273 25.797 22.149 1.00 20.00 H new ATOM 0 HG2 LYS A 6 14.751 26.937 23.419 1.00 20.00 H new ATOM 0 HG3 LYS A 6 15.245 27.242 21.765 1.00 20.00 H new ATOM 0 HD2 LYS A 6 15.041 24.840 21.217 1.00 20.00 H new ATOM 0 HD3 LYS A 6 14.672 24.459 22.887 1.00 20.00 H new ATOM 0 HE2 LYS A 6 12.996 26.357 21.178 1.00 20.00 H new ATOM 0 HE3 LYS A 6 12.638 24.652 21.362 1.00 20.00 H new ATOM 0 HZ1 LYS A 6 11.691 25.028 23.306 1.00 20.00 H new ATOM 0 HZ2 LYS A 6 13.035 25.883 23.894 1.00 20.00 H new ATOM 0 HZ3 LYS A 6 11.835 26.693 23.005 1.00 20.00 H new ATOM 91 N GLY A 7 19.075 26.038 25.437 1.00 20.00 N ATOM 92 CA GLY A 7 20.479 25.988 25.853 1.00 20.00 C ATOM 93 C GLY A 7 21.289 27.211 25.394 1.00 20.00 C ATOM 94 O GLY A 7 22.438 27.361 25.807 1.00 20.00 O ATOM 0 H GLY A 7 18.546 26.736 25.959 1.00 20.00 H new ATOM 0 HA2 GLY A 7 20.527 25.915 26.939 1.00 20.00 H new ATOM 0 HA3 GLY A 7 20.938 25.084 25.452 1.00 20.00 H new ATOM 98 N PHE A 8 20.696 28.077 24.560 1.00 20.00 N ATOM 99 CA PHE A 8 21.284 29.305 24.043 1.00 20.00 C ATOM 100 C PHE A 8 21.431 30.383 25.129 1.00 20.00 C ATOM 101 O PHE A 8 20.976 30.215 26.263 1.00 20.00 O ATOM 102 CB PHE A 8 20.410 29.817 22.890 1.00 20.00 C ATOM 103 CG PHE A 8 20.097 28.796 21.809 1.00 20.00 C ATOM 104 CD1 PHE A 8 21.123 28.028 21.220 1.00 20.00 C ATOM 105 CD2 PHE A 8 18.769 28.622 21.375 1.00 20.00 C ATOM 106 CE1 PHE A 8 20.827 27.120 20.192 1.00 20.00 C ATOM 107 CE2 PHE A 8 18.474 27.703 20.352 1.00 20.00 C ATOM 108 CZ PHE A 8 19.504 26.957 19.753 1.00 20.00 C ATOM 0 H PHE A 8 19.748 27.926 24.216 1.00 20.00 H new ATOM 0 HA PHE A 8 22.291 29.085 23.687 1.00 20.00 H new ATOM 0 HB2 PHE A 8 19.470 30.184 23.303 1.00 20.00 H new ATOM 0 HB3 PHE A 8 20.909 30.669 22.428 1.00 20.00 H new ATOM 0 HD1 PHE A 8 22.141 28.139 21.562 1.00 20.00 H new ATOM 0 HD2 PHE A 8 17.975 29.196 21.829 1.00 20.00 H new ATOM 0 HE1 PHE A 8 21.620 26.545 19.737 1.00 20.00 H new ATOM 0 HE2 PHE A 8 17.453 27.570 20.026 1.00 20.00 H new ATOM 0 HZ PHE A 8 19.278 26.261 18.958 1.00 20.00 H new ATOM 118 N GLY A 9 22.065 31.501 24.753 1.00 20.00 N ATOM 119 CA GLY A 9 22.378 32.620 25.632 1.00 20.00 C ATOM 120 C GLY A 9 21.915 33.960 25.064 1.00 20.00 C ATOM 121 O GLY A 9 21.279 34.024 24.009 1.00 20.00 O ATOM 0 H GLY A 9 22.382 31.650 23.795 1.00 20.00 H new ATOM 0 HA2 GLY A 9 21.907 32.458 26.602 1.00 20.00 H new ATOM 0 HA3 GLY A 9 23.454 32.654 25.802 1.00 20.00 H new ATOM 125 N CYS A 10 22.245 35.029 25.801 1.00 20.00 N ATOM 126 CA CYS A 10 21.808 36.398 25.548 1.00 20.00 C ATOM 127 C CYS A 10 23.012 37.344 25.451 1.00 20.00 C ATOM 128 O CYS A 10 23.130 38.298 26.218 1.00 20.00 O ATOM 129 CB CYS A 10 20.805 36.815 26.631 1.00 20.00 C ATOM 130 SG CYS A 10 19.267 35.861 26.680 1.00 20.00 S ATOM 0 H CYS A 10 22.848 34.955 26.621 1.00 20.00 H new ATOM 0 HA CYS A 10 21.300 36.457 24.585 1.00 20.00 H new ATOM 0 HB2 CYS A 10 21.292 36.735 27.603 1.00 20.00 H new ATOM 0 HB3 CYS A 10 20.555 37.866 26.485 1.00 20.00 H new ATOM 135 N LEU A 11 23.919 37.060 24.506 1.00 20.00 N ATOM 136 CA LEU A 11 25.090 37.883 24.189 1.00 20.00 C ATOM 137 C LEU A 11 24.642 39.227 23.587 1.00 20.00 C ATOM 138 O LEU A 11 23.553 39.297 23.018 1.00 20.00 O ATOM 139 CB LEU A 11 25.991 37.113 23.196 1.00 20.00 C ATOM 140 CG LEU A 11 26.986 36.117 23.837 1.00 20.00 C ATOM 141 CD1 LEU A 11 28.124 36.839 24.573 1.00 20.00 C ATOM 142 CD2 LEU A 11 26.319 35.110 24.789 1.00 20.00 C ATOM 0 H LEU A 11 23.854 36.225 23.924 1.00 20.00 H new ATOM 0 HA LEU A 11 25.654 38.090 25.098 1.00 20.00 H new ATOM 0 HB2 LEU A 11 25.353 36.566 22.502 1.00 20.00 H new ATOM 0 HB3 LEU A 11 26.556 37.837 22.608 1.00 20.00 H new ATOM 0 HG LEU A 11 27.397 35.554 22.999 1.00 20.00 H new ATOM 0 HD11 LEU A 11 28.800 36.103 25.008 1.00 20.00 H new ATOM 0 HD12 LEU A 11 28.673 37.465 23.869 1.00 20.00 H new ATOM 0 HD13 LEU A 11 27.708 37.462 25.364 1.00 20.00 H new ATOM 0 HD21 LEU A 11 27.076 34.443 25.202 1.00 20.00 H new ATOM 0 HD22 LEU A 11 25.827 35.647 25.600 1.00 20.00 H new ATOM 0 HD23 LEU A 11 25.580 34.525 24.241 1.00 20.00 H new ATOM 154 N PRO A 12 25.464 40.295 23.664 1.00 20.00 N ATOM 155 CA PRO A 12 25.114 41.599 23.107 1.00 20.00 C ATOM 156 C PRO A 12 25.139 41.563 21.575 1.00 20.00 C ATOM 157 O PRO A 12 25.759 40.683 20.979 1.00 20.00 O ATOM 158 CB PRO A 12 26.156 42.571 23.674 1.00 20.00 C ATOM 159 CG PRO A 12 27.392 41.693 23.867 1.00 20.00 C ATOM 160 CD PRO A 12 26.790 40.346 24.271 1.00 20.00 C ATOM 0 HA PRO A 12 24.103 41.904 23.376 1.00 20.00 H new ATOM 0 HB2 PRO A 12 26.352 43.395 22.988 1.00 20.00 H new ATOM 0 HB3 PRO A 12 25.825 43.011 24.615 1.00 20.00 H new ATOM 0 HG2 PRO A 12 27.980 41.615 22.952 1.00 20.00 H new ATOM 0 HG3 PRO A 12 28.053 42.089 24.638 1.00 20.00 H new ATOM 0 HD2 PRO A 12 27.411 39.521 23.921 1.00 20.00 H new ATOM 0 HD3 PRO A 12 26.725 40.258 25.356 1.00 20.00 H new ATOM 168 N GLN A 13 24.507 42.556 20.937 1.00 20.00 N ATOM 169 CA GLN A 13 24.545 42.739 19.483 1.00 20.00 C ATOM 170 C GLN A 13 25.965 43.086 18.981 1.00 20.00 C ATOM 171 O GLN A 13 26.244 42.948 17.791 1.00 20.00 O ATOM 172 CB GLN A 13 23.546 43.839 19.085 1.00 20.00 C ATOM 173 CG GLN A 13 22.090 43.381 19.288 1.00 20.00 C ATOM 174 CD GLN A 13 21.079 44.485 18.985 1.00 20.00 C ATOM 175 OE1 GLN A 13 21.068 45.046 17.893 1.00 20.00 O ATOM 176 NE2 GLN A 13 20.213 44.803 19.947 1.00 20.00 N ATOM 0 H GLN A 13 23.950 43.261 21.421 1.00 20.00 H new ATOM 0 HA GLN A 13 24.264 41.798 19.011 1.00 20.00 H new ATOM 0 HB2 GLN A 13 23.733 44.734 19.679 1.00 20.00 H new ATOM 0 HB3 GLN A 13 23.700 44.111 18.041 1.00 20.00 H new ATOM 0 HG2 GLN A 13 21.890 42.524 18.645 1.00 20.00 H new ATOM 0 HG3 GLN A 13 21.959 43.046 20.317 1.00 20.00 H new ATOM 0 HE21 GLN A 13 20.247 44.319 20.844 1.00 20.00 H new ATOM 0 HE22 GLN A 13 19.516 45.530 19.786 1.00 20.00 H new ATOM 185 N SER A 14 26.869 43.508 19.880 1.00 20.00 N ATOM 186 CA SER A 14 28.284 43.749 19.611 1.00 20.00 C ATOM 187 C SER A 14 29.091 42.453 19.423 1.00 20.00 C ATOM 188 O SER A 14 30.081 42.469 18.690 1.00 20.00 O ATOM 189 CB SER A 14 28.880 44.537 20.782 1.00 20.00 C ATOM 190 OG SER A 14 28.274 45.807 20.903 1.00 20.00 O ATOM 0 H SER A 14 26.618 43.696 20.850 1.00 20.00 H new ATOM 0 HA SER A 14 28.347 44.307 18.677 1.00 20.00 H new ATOM 0 HB2 SER A 14 28.745 43.977 21.707 1.00 20.00 H new ATOM 0 HB3 SER A 14 29.954 44.656 20.635 1.00 20.00 H new ATOM 0 HG SER A 14 28.671 46.288 21.659 1.00 20.00 H new ATOM 196 N ASP A 15 28.675 41.342 20.053 1.00 20.00 N ATOM 197 CA ASP A 15 29.387 40.063 20.037 1.00 20.00 C ATOM 198 C ASP A 15 28.659 39.034 19.169 1.00 20.00 C ATOM 199 O ASP A 15 29.290 38.395 18.328 1.00 20.00 O ATOM 200 CB ASP A 15 29.569 39.561 21.477 1.00 20.00 C ATOM 201 CG ASP A 15 30.456 38.318 21.535 1.00 20.00 C ATOM 202 OD1 ASP A 15 31.694 38.496 21.576 1.00 20.00 O ATOM 203 OD2 ASP A 15 29.889 37.204 21.519 1.00 20.00 O ATOM 0 H ASP A 15 27.814 41.312 20.599 1.00 20.00 H new ATOM 0 HA ASP A 15 30.371 40.209 19.592 1.00 20.00 H new ATOM 0 HB2 ASP A 15 30.010 40.351 22.085 1.00 20.00 H new ATOM 0 HB3 ASP A 15 28.594 39.333 21.909 1.00 20.00 H new ATOM 208 N CYS A 16 27.339 38.891 19.354 1.00 20.00 N ATOM 209 CA CYS A 16 26.464 38.089 18.516 1.00 20.00 C ATOM 210 C CYS A 16 26.389 38.702 17.103 1.00 20.00 C ATOM 211 O CYS A 16 25.972 39.857 16.971 1.00 20.00 O ATOM 212 CB CYS A 16 25.066 38.020 19.147 1.00 20.00 C ATOM 213 SG CYS A 16 24.007 36.779 18.355 1.00 20.00 S ATOM 0 H CYS A 16 26.844 39.349 20.119 1.00 20.00 H new ATOM 0 HA CYS A 16 26.863 37.078 18.436 1.00 20.00 H new ATOM 0 HB2 CYS A 16 25.161 37.788 20.208 1.00 20.00 H new ATOM 0 HB3 CYS A 16 24.590 38.998 19.076 1.00 20.00 H new ATOM 218 N PRO A 17 26.766 37.963 16.039 1.00 20.00 N ATOM 219 CA PRO A 17 26.626 38.411 14.653 1.00 20.00 C ATOM 220 C PRO A 17 25.143 38.428 14.239 1.00 20.00 C ATOM 221 O PRO A 17 24.286 37.931 14.971 1.00 20.00 O ATOM 222 CB PRO A 17 27.452 37.412 13.837 1.00 20.00 C ATOM 223 CG PRO A 17 27.268 36.110 14.620 1.00 20.00 C ATOM 224 CD PRO A 17 27.263 36.593 16.070 1.00 20.00 C ATOM 0 HA PRO A 17 26.979 39.430 14.496 1.00 20.00 H new ATOM 0 HB2 PRO A 17 27.087 37.325 12.814 1.00 20.00 H new ATOM 0 HB3 PRO A 17 28.500 37.705 13.778 1.00 20.00 H new ATOM 0 HG2 PRO A 17 26.338 35.606 14.357 1.00 20.00 H new ATOM 0 HG3 PRO A 17 28.077 35.405 14.430 1.00 20.00 H new ATOM 0 HD2 PRO A 17 26.626 35.961 16.689 1.00 20.00 H new ATOM 0 HD3 PRO A 17 28.265 36.552 16.498 1.00 20.00 H new ATOM 232 N GLN A 18 24.841 39.007 13.067 1.00 20.00 N ATOM 233 CA GLN A 18 23.471 39.277 12.610 1.00 20.00 C ATOM 234 C GLN A 18 22.746 38.035 12.066 1.00 20.00 C ATOM 235 O GLN A 18 21.533 38.064 11.858 1.00 20.00 O ATOM 236 CB GLN A 18 23.493 40.413 11.568 1.00 20.00 C ATOM 237 CG GLN A 18 23.722 41.774 12.245 1.00 20.00 C ATOM 238 CD GLN A 18 23.780 42.937 11.255 1.00 20.00 C ATOM 239 OE1 GLN A 18 22.930 43.070 10.379 1.00 20.00 O ATOM 240 NE2 GLN A 18 24.764 43.818 11.403 1.00 20.00 N ATOM 0 H GLN A 18 25.553 39.305 12.401 1.00 20.00 H new ATOM 0 HA GLN A 18 22.894 39.586 13.482 1.00 20.00 H new ATOM 0 HB2 GLN A 18 24.282 40.228 10.839 1.00 20.00 H new ATOM 0 HB3 GLN A 18 22.550 40.428 11.021 1.00 20.00 H new ATOM 0 HG2 GLN A 18 22.921 41.955 12.962 1.00 20.00 H new ATOM 0 HG3 GLN A 18 24.654 41.739 12.810 1.00 20.00 H new ATOM 0 HE21 GLN A 18 25.459 43.687 12.138 1.00 20.00 H new ATOM 0 HE22 GLN A 18 24.824 44.625 10.782 1.00 20.00 H new ATOM 249 N GLU A 19 23.485 36.941 11.864 1.00 20.00 N ATOM 250 CA GLU A 19 23.018 35.644 11.376 1.00 20.00 C ATOM 251 C GLU A 19 22.478 34.756 12.506 1.00 20.00 C ATOM 252 O GLU A 19 21.497 34.036 12.307 1.00 20.00 O ATOM 253 CB GLU A 19 24.165 34.949 10.615 1.00 20.00 C ATOM 254 CG GLU A 19 25.522 34.985 11.332 1.00 20.00 C ATOM 255 CD GLU A 19 26.609 34.295 10.504 1.00 20.00 C ATOM 256 OE1 GLU A 19 27.364 35.020 9.819 1.00 20.00 O ATOM 257 OE2 GLU A 19 26.684 33.048 10.561 1.00 20.00 O ATOM 0 H GLU A 19 24.488 36.939 12.049 1.00 20.00 H new ATOM 0 HA GLU A 19 22.181 35.811 10.698 1.00 20.00 H new ATOM 0 HB2 GLU A 19 23.889 33.909 10.439 1.00 20.00 H new ATOM 0 HB3 GLU A 19 24.273 35.420 9.638 1.00 20.00 H new ATOM 0 HG2 GLU A 19 25.808 36.020 11.521 1.00 20.00 H new ATOM 0 HG3 GLU A 19 25.436 34.496 12.302 1.00 20.00 H new ATOM 264 N ALA A 20 23.127 34.820 13.677 1.00 20.00 N ATOM 265 CA ALA A 20 22.853 34.019 14.859 1.00 20.00 C ATOM 266 C ALA A 20 21.647 34.517 15.677 1.00 20.00 C ATOM 267 O ALA A 20 21.299 33.893 16.682 1.00 20.00 O ATOM 268 CB ALA A 20 24.123 34.009 15.718 1.00 20.00 C ATOM 0 H ALA A 20 23.898 35.471 13.824 1.00 20.00 H new ATOM 0 HA ALA A 20 22.582 33.014 14.536 1.00 20.00 H new ATOM 0 HB1 ALA A 20 23.951 33.415 16.615 1.00 20.00 H new ATOM 0 HB2 ALA A 20 24.945 33.575 15.148 1.00 20.00 H new ATOM 0 HB3 ALA A 20 24.378 35.030 16.002 1.00 20.00 H new ATOM 274 N ARG A 21 21.026 35.637 15.267 1.00 20.00 N ATOM 275 CA ARG A 21 19.940 36.298 15.993 1.00 20.00 C ATOM 276 C ARG A 21 18.623 35.536 15.823 1.00 20.00 C ATOM 277 O ARG A 21 17.932 35.689 14.815 1.00 20.00 O ATOM 278 CB ARG A 21 19.809 37.774 15.585 1.00 20.00 C ATOM 279 CG ARG A 21 21.133 38.496 15.860 1.00 20.00 C ATOM 280 CD ARG A 21 21.110 40.004 15.616 1.00 20.00 C ATOM 281 NE ARG A 21 22.451 40.542 15.878 1.00 20.00 N ATOM 282 CZ ARG A 21 22.851 41.814 15.757 1.00 20.00 C ATOM 283 NH1 ARG A 21 22.000 42.811 15.506 1.00 20.00 N ATOM 284 NH2 ARG A 21 24.147 42.088 15.878 1.00 20.00 N ATOM 0 H ARG A 21 21.275 36.115 14.401 1.00 20.00 H new ATOM 0 HA ARG A 21 20.188 36.284 17.054 1.00 20.00 H new ATOM 0 HB2 ARG A 21 19.553 37.850 14.528 1.00 20.00 H new ATOM 0 HB3 ARG A 21 19.001 38.247 16.143 1.00 20.00 H new ATOM 0 HG2 ARG A 21 21.419 38.315 16.896 1.00 20.00 H new ATOM 0 HG3 ARG A 21 21.907 38.054 15.233 1.00 20.00 H new ATOM 0 HD2 ARG A 21 20.811 40.217 14.590 1.00 20.00 H new ATOM 0 HD3 ARG A 21 20.377 40.481 16.267 1.00 20.00 H new ATOM 0 HE ARG A 21 23.156 39.872 16.186 1.00 20.00 H new ATOM 0 HH11 ARG A 21 21.004 42.617 15.399 1.00 20.00 H new ATOM 0 HH12 ARG A 21 22.345 43.767 15.421 1.00 20.00 H new ATOM 0 HH21 ARG A 21 24.812 41.336 16.059 1.00 20.00 H new ATOM 0 HH22 ARG A 21 24.475 43.050 15.790 1.00 20.00 H new ATOM 298 N LEU A 22 18.297 34.707 16.826 1.00 20.00 N ATOM 299 CA LEU A 22 17.103 33.863 16.890 1.00 20.00 C ATOM 300 C LEU A 22 15.830 34.705 17.055 1.00 20.00 C ATOM 301 O LEU A 22 15.884 35.898 17.359 1.00 20.00 O ATOM 302 CB LEU A 22 17.227 32.885 18.075 1.00 20.00 C ATOM 303 CG LEU A 22 18.351 31.845 17.912 1.00 20.00 C ATOM 304 CD1 LEU A 22 18.702 31.319 19.303 1.00 20.00 C ATOM 305 CD2 LEU A 22 17.913 30.689 17.000 1.00 20.00 C ATOM 0 H LEU A 22 18.888 34.605 17.651 1.00 20.00 H new ATOM 0 HA LEU A 22 17.028 33.311 15.953 1.00 20.00 H new ATOM 0 HB2 LEU A 22 17.403 33.455 18.987 1.00 20.00 H new ATOM 0 HB3 LEU A 22 16.279 32.363 18.203 1.00 20.00 H new ATOM 0 HG LEU A 22 19.219 32.311 17.445 1.00 20.00 H new ATOM 0 HD11 LEU A 22 19.497 30.578 19.222 1.00 20.00 H new ATOM 0 HD12 LEU A 22 19.038 32.145 19.930 1.00 20.00 H new ATOM 0 HD13 LEU A 22 17.821 30.858 19.751 1.00 20.00 H new ATOM 0 HD21 LEU A 22 18.728 29.972 16.905 1.00 20.00 H new ATOM 0 HD22 LEU A 22 17.043 30.194 17.432 1.00 20.00 H new ATOM 0 HD23 LEU A 22 17.657 31.080 16.015 1.00 20.00 H new ATOM 317 N SER A 23 14.677 34.048 16.880 1.00 20.00 N ATOM 318 CA SER A 23 13.351 34.663 16.948 1.00 20.00 C ATOM 319 C SER A 23 12.799 34.743 18.382 1.00 20.00 C ATOM 320 O SER A 23 11.849 35.487 18.628 1.00 20.00 O ATOM 321 CB SER A 23 12.389 33.874 16.048 1.00 20.00 C ATOM 322 OG SER A 23 11.257 34.656 15.731 1.00 20.00 O ATOM 0 H SER A 23 14.642 33.048 16.682 1.00 20.00 H new ATOM 0 HA SER A 23 13.443 35.691 16.599 1.00 20.00 H new ATOM 0 HB2 SER A 23 12.900 33.575 15.133 1.00 20.00 H new ATOM 0 HB3 SER A 23 12.077 32.959 16.552 1.00 20.00 H new ATOM 0 HG SER A 23 11.060 35.263 16.475 1.00 20.00 H new ATOM 328 N TYR A 24 13.394 33.998 19.326 1.00 20.00 N ATOM 329 CA TYR A 24 13.009 33.949 20.731 1.00 20.00 C ATOM 330 C TYR A 24 13.258 35.288 21.445 1.00 20.00 C ATOM 331 O TYR A 24 13.957 36.166 20.935 1.00 20.00 O ATOM 332 CB TYR A 24 13.808 32.826 21.410 1.00 20.00 C ATOM 333 CG TYR A 24 13.700 31.457 20.757 1.00 20.00 C ATOM 334 CD1 TYR A 24 14.868 30.725 20.483 1.00 20.00 C ATOM 335 CD2 TYR A 24 12.444 30.912 20.423 1.00 20.00 C ATOM 336 CE1 TYR A 24 14.790 29.461 19.867 1.00 20.00 C ATOM 337 CE2 TYR A 24 12.353 29.644 19.823 1.00 20.00 C ATOM 338 CZ TYR A 24 13.528 28.911 19.544 1.00 20.00 C ATOM 339 OH TYR A 24 13.444 27.682 18.961 1.00 20.00 O ATOM 0 H TYR A 24 14.187 33.392 19.116 1.00 20.00 H new ATOM 0 HA TYR A 24 11.939 33.753 20.796 1.00 20.00 H new ATOM 0 HB2 TYR A 24 14.859 33.115 21.435 1.00 20.00 H new ATOM 0 HB3 TYR A 24 13.476 32.743 22.445 1.00 20.00 H new ATOM 0 HD1 TYR A 24 15.832 31.135 20.747 1.00 20.00 H new ATOM 0 HD2 TYR A 24 11.544 31.473 20.630 1.00 20.00 H new ATOM 0 HE1 TYR A 24 15.693 28.913 19.642 1.00 20.00 H new ATOM 0 HE2 TYR A 24 11.386 29.231 19.576 1.00 20.00 H new ATOM 0 HH TYR A 24 12.503 27.456 18.808 1.00 20.00 H new ATOM 349 N GLY A 25 12.702 35.414 22.656 1.00 20.00 N ATOM 350 CA GLY A 25 12.812 36.594 23.505 1.00 20.00 C ATOM 351 C GLY A 25 12.989 36.232 24.980 1.00 20.00 C ATOM 352 O GLY A 25 13.004 35.057 25.355 1.00 20.00 O ATOM 0 H GLY A 25 12.147 34.671 23.080 1.00 20.00 H new ATOM 0 HA2 GLY A 25 13.658 37.197 23.177 1.00 20.00 H new ATOM 0 HA3 GLY A 25 11.919 37.208 23.388 1.00 20.00 H new ATOM 356 N GLY A 26 13.129 37.273 25.809 1.00 20.00 N ATOM 357 CA GLY A 26 13.379 37.185 27.245 1.00 20.00 C ATOM 358 C GLY A 26 14.784 37.656 27.639 1.00 20.00 C ATOM 359 O GLY A 26 15.038 37.858 28.825 1.00 20.00 O ATOM 0 H GLY A 26 13.068 38.237 25.481 1.00 20.00 H new ATOM 0 HA2 GLY A 26 12.639 37.785 27.774 1.00 20.00 H new ATOM 0 HA3 GLY A 26 13.244 36.153 27.569 1.00 20.00 H new ATOM 363 N CYS A 27 15.681 37.853 26.661 1.00 20.00 N ATOM 364 CA CYS A 27 17.025 38.397 26.843 1.00 20.00 C ATOM 365 C CYS A 27 17.010 39.872 27.275 1.00 20.00 C ATOM 366 O CYS A 27 15.959 40.511 27.345 1.00 20.00 O ATOM 367 CB CYS A 27 17.803 38.238 25.529 1.00 20.00 C ATOM 368 SG CYS A 27 18.226 36.539 25.067 1.00 20.00 S ATOM 0 H CYS A 27 15.477 37.628 25.687 1.00 20.00 H new ATOM 0 HA CYS A 27 17.510 37.842 27.646 1.00 20.00 H new ATOM 0 HB2 CYS A 27 17.214 38.678 24.724 1.00 20.00 H new ATOM 0 HB3 CYS A 27 18.725 38.815 25.602 1.00 20.00 H new ATOM 373 N SER A 28 18.211 40.408 27.533 1.00 20.00 N ATOM 374 CA SER A 28 18.445 41.819 27.842 1.00 20.00 C ATOM 375 C SER A 28 18.978 42.587 26.624 1.00 20.00 C ATOM 376 O SER A 28 19.003 43.817 26.640 1.00 20.00 O ATOM 377 CB SER A 28 19.426 41.906 29.017 1.00 20.00 C ATOM 378 OG SER A 28 19.577 43.237 29.461 1.00 20.00 O ATOM 0 H SER A 28 19.068 39.854 27.532 1.00 20.00 H new ATOM 0 HA SER A 28 17.498 42.285 28.115 1.00 20.00 H new ATOM 0 HB2 SER A 28 19.069 41.285 29.838 1.00 20.00 H new ATOM 0 HB3 SER A 28 20.395 41.509 28.715 1.00 20.00 H new ATOM 0 HG SER A 28 19.492 43.848 28.699 1.00 20.00 H new ATOM 384 N THR A 29 19.393 41.864 25.573 1.00 20.00 N ATOM 385 CA THR A 29 20.052 42.386 24.382 1.00 20.00 C ATOM 386 C THR A 29 19.515 41.672 23.136 1.00 20.00 C ATOM 387 O THR A 29 18.754 42.281 22.383 1.00 20.00 O ATOM 388 CB THR A 29 21.584 42.277 24.517 1.00 20.00 C ATOM 389 OG1 THR A 29 21.974 41.004 24.993 1.00 20.00 O ATOM 390 CG2 THR A 29 22.158 43.343 25.459 1.00 20.00 C ATOM 0 H THR A 29 19.269 40.852 25.536 1.00 20.00 H new ATOM 0 HA THR A 29 19.825 43.447 24.273 1.00 20.00 H new ATOM 0 HB THR A 29 21.983 42.433 23.515 1.00 20.00 H new ATOM 0 HG1 THR A 29 22.443 40.519 24.283 1.00 20.00 H new ATOM 0 HG21 THR A 29 23.240 43.227 25.523 1.00 20.00 H new ATOM 0 HG22 THR A 29 21.921 44.335 25.073 1.00 20.00 H new ATOM 0 HG23 THR A 29 21.721 43.226 26.451 1.00 20.00 H new ATOM 398 N VAL A 30 19.911 40.408 22.916 1.00 20.00 N ATOM 399 CA VAL A 30 19.519 39.591 21.762 1.00 20.00 C ATOM 400 C VAL A 30 19.823 38.109 22.045 1.00 20.00 C ATOM 401 O VAL A 30 20.837 37.791 22.664 1.00 20.00 O ATOM 402 CB VAL A 30 20.232 40.108 20.482 1.00 20.00 C ATOM 403 CG1 VAL A 30 21.766 39.990 20.504 1.00 20.00 C ATOM 404 CG2 VAL A 30 19.704 39.433 19.215 1.00 20.00 C ATOM 0 H VAL A 30 20.532 39.914 23.557 1.00 20.00 H new ATOM 0 HA VAL A 30 18.446 39.676 21.592 1.00 20.00 H new ATOM 0 HB VAL A 30 19.991 41.171 20.470 1.00 20.00 H new ATOM 0 HG11 VAL A 30 22.174 40.375 19.570 1.00 20.00 H new ATOM 0 HG12 VAL A 30 22.163 40.567 21.339 1.00 20.00 H new ATOM 0 HG13 VAL A 30 22.049 38.944 20.619 1.00 20.00 H new ATOM 0 HG21 VAL A 30 20.232 39.826 18.346 1.00 20.00 H new ATOM 0 HG22 VAL A 30 19.866 38.357 19.282 1.00 20.00 H new ATOM 0 HG23 VAL A 30 18.638 39.634 19.113 1.00 20.00 H new ATOM 414 N CYS A 31 18.957 37.199 21.573 1.00 20.00 N ATOM 415 CA CYS A 31 19.172 35.750 21.633 1.00 20.00 C ATOM 416 C CYS A 31 20.224 35.339 20.592 1.00 20.00 C ATOM 417 O CYS A 31 20.188 35.836 19.466 1.00 20.00 O ATOM 418 CB CYS A 31 17.850 35.036 21.330 1.00 20.00 C ATOM 419 SG CYS A 31 17.638 33.365 22.008 1.00 20.00 S ATOM 0 H CYS A 31 18.074 37.456 21.132 1.00 20.00 H new ATOM 0 HA CYS A 31 19.524 35.473 22.627 1.00 20.00 H new ATOM 0 HB2 CYS A 31 17.036 35.658 21.703 1.00 20.00 H new ATOM 0 HB3 CYS A 31 17.737 34.979 20.247 1.00 20.00 H new ATOM 424 N CYS A 32 21.131 34.416 20.941 1.00 20.00 N ATOM 425 CA CYS A 32 22.240 34.004 20.081 1.00 20.00 C ATOM 426 C CYS A 32 22.433 32.485 20.136 1.00 20.00 C ATOM 427 O CYS A 32 22.597 31.947 21.230 1.00 20.00 O ATOM 428 CB CYS A 32 23.515 34.743 20.518 1.00 20.00 C ATOM 429 SG CYS A 32 24.670 35.019 19.153 1.00 20.00 S ATOM 0 H CYS A 32 21.112 33.932 21.838 1.00 20.00 H new ATOM 0 HA CYS A 32 22.015 34.265 19.047 1.00 20.00 H new ATOM 0 HB2 CYS A 32 23.241 35.703 20.955 1.00 20.00 H new ATOM 0 HB3 CYS A 32 24.013 34.168 21.298 1.00 20.00 H new ATOM 434 N ASP A 33 22.412 31.800 18.977 1.00 20.00 N ATOM 435 CA ASP A 33 22.569 30.342 18.880 1.00 20.00 C ATOM 436 C ASP A 33 24.018 29.888 19.138 1.00 20.00 C ATOM 437 O ASP A 33 24.779 29.627 18.210 1.00 20.00 O ATOM 438 CB ASP A 33 21.980 29.770 17.568 1.00 20.00 C ATOM 439 CG ASP A 33 22.282 30.559 16.286 1.00 20.00 C ATOM 440 OD1 ASP A 33 23.474 30.747 15.960 1.00 20.00 O ATOM 441 OD2 ASP A 33 21.301 30.937 15.609 1.00 20.00 O ATOM 0 H ASP A 33 22.284 32.252 18.072 1.00 20.00 H new ATOM 0 HA ASP A 33 21.974 29.912 19.686 1.00 20.00 H new ATOM 0 HB2 ASP A 33 22.353 28.754 17.440 1.00 20.00 H new ATOM 0 HB3 ASP A 33 20.898 29.701 17.680 1.00 20.00 H new ATOM 446 N LEU A 34 24.392 29.765 20.419 1.00 20.00 N ATOM 447 CA LEU A 34 25.744 29.411 20.865 1.00 20.00 C ATOM 448 C LEU A 34 26.178 28.005 20.420 1.00 20.00 C ATOM 449 O LEU A 34 27.363 27.788 20.160 1.00 20.00 O ATOM 450 CB LEU A 34 25.835 29.519 22.397 1.00 20.00 C ATOM 451 CG LEU A 34 25.462 30.894 22.985 1.00 20.00 C ATOM 452 CD1 LEU A 34 25.586 30.839 24.510 1.00 20.00 C ATOM 453 CD2 LEU A 34 26.345 32.023 22.433 1.00 20.00 C ATOM 0 H LEU A 34 23.744 29.913 21.193 1.00 20.00 H new ATOM 0 HA LEU A 34 26.425 30.119 20.393 1.00 20.00 H new ATOM 0 HB2 LEU A 34 25.182 28.765 22.837 1.00 20.00 H new ATOM 0 HB3 LEU A 34 26.853 29.276 22.702 1.00 20.00 H new ATOM 0 HG LEU A 34 24.435 31.115 22.693 1.00 20.00 H new ATOM 0 HD11 LEU A 34 25.323 31.809 24.932 1.00 20.00 H new ATOM 0 HD12 LEU A 34 24.912 30.078 24.903 1.00 20.00 H new ATOM 0 HD13 LEU A 34 26.612 30.590 24.783 1.00 20.00 H new ATOM 0 HD21 LEU A 34 26.043 32.971 22.877 1.00 20.00 H new ATOM 0 HD22 LEU A 34 27.388 31.823 22.679 1.00 20.00 H new ATOM 0 HD23 LEU A 34 26.232 32.077 21.350 1.00 20.00 H new ATOM 465 N SER A 35 25.225 27.066 20.306 1.00 20.00 N ATOM 466 CA SER A 35 25.460 25.697 19.853 1.00 20.00 C ATOM 467 C SER A 35 25.761 25.610 18.347 1.00 20.00 C ATOM 468 O SER A 35 26.214 24.563 17.881 1.00 20.00 O ATOM 469 CB SER A 35 24.229 24.854 20.209 1.00 20.00 C ATOM 470 OG SER A 35 24.503 23.477 20.075 1.00 20.00 O ATOM 0 H SER A 35 24.248 27.248 20.533 1.00 20.00 H new ATOM 0 HA SER A 35 26.347 25.315 20.358 1.00 20.00 H new ATOM 0 HB2 SER A 35 23.920 25.069 21.232 1.00 20.00 H new ATOM 0 HB3 SER A 35 23.397 25.128 19.561 1.00 20.00 H new ATOM 0 HG SER A 35 25.110 23.336 19.318 1.00 20.00 H new ATOM 476 N LYS A 36 25.536 26.703 17.597 1.00 20.00 N ATOM 477 CA LYS A 36 25.733 26.804 16.149 1.00 20.00 C ATOM 478 C LYS A 36 26.658 27.962 15.750 1.00 20.00 C ATOM 479 O LYS A 36 26.847 28.216 14.560 1.00 20.00 O ATOM 480 CB LYS A 36 24.373 26.902 15.429 1.00 20.00 C ATOM 481 CG LYS A 36 23.366 25.825 15.866 1.00 20.00 C ATOM 482 CD LYS A 36 22.236 25.683 14.838 1.00 20.00 C ATOM 483 CE LYS A 36 21.219 24.608 15.234 1.00 20.00 C ATOM 484 NZ LYS A 36 21.781 23.245 15.155 1.00 20.00 N ATOM 0 H LYS A 36 25.198 27.574 18.005 1.00 20.00 H new ATOM 0 HA LYS A 36 26.237 25.892 15.830 1.00 20.00 H new ATOM 0 HB2 LYS A 36 23.943 27.886 15.615 1.00 20.00 H new ATOM 0 HB3 LYS A 36 24.534 26.822 14.354 1.00 20.00 H new ATOM 0 HG2 LYS A 36 23.878 24.870 15.984 1.00 20.00 H new ATOM 0 HG3 LYS A 36 22.948 26.085 16.838 1.00 20.00 H new ATOM 0 HD2 LYS A 36 21.725 26.640 14.729 1.00 20.00 H new ATOM 0 HD3 LYS A 36 22.662 25.436 13.866 1.00 20.00 H new ATOM 0 HE2 LYS A 36 20.872 24.797 16.250 1.00 20.00 H new ATOM 0 HE3 LYS A 36 20.348 24.677 14.582 1.00 20.00 H new ATOM 0 HZ1 LYS A 36 21.041 22.551 15.383 1.00 20.00 H new ATOM 0 HZ2 LYS A 36 22.135 23.071 14.193 1.00 20.00 H new ATOM 0 HZ3 LYS A 36 22.564 23.152 15.834 1.00 20.00 H new ATOM 498 N LEU A 37 27.238 28.649 16.741 1.00 20.00 N ATOM 499 CA LEU A 37 28.194 29.741 16.583 1.00 20.00 C ATOM 500 C LEU A 37 29.599 29.176 16.341 1.00 20.00 C ATOM 501 O LEU A 37 30.309 29.633 15.446 1.00 20.00 O ATOM 502 CB LEU A 37 28.164 30.621 17.858 1.00 20.00 C ATOM 503 CG LEU A 37 28.364 32.134 17.638 1.00 20.00 C ATOM 504 CD1 LEU A 37 29.657 32.485 16.884 1.00 20.00 C ATOM 505 CD2 LEU A 37 27.151 32.747 16.931 1.00 20.00 C ATOM 0 H LEU A 37 27.041 28.445 17.721 1.00 20.00 H new ATOM 0 HA LEU A 37 27.924 30.352 15.722 1.00 20.00 H new ATOM 0 HB2 LEU A 37 27.207 30.470 18.358 1.00 20.00 H new ATOM 0 HB3 LEU A 37 28.939 30.267 18.538 1.00 20.00 H new ATOM 0 HG LEU A 37 28.463 32.568 18.633 1.00 20.00 H new ATOM 0 HD11 LEU A 37 29.728 33.566 16.767 1.00 20.00 H new ATOM 0 HD12 LEU A 37 30.517 32.124 17.448 1.00 20.00 H new ATOM 0 HD13 LEU A 37 29.644 32.014 15.901 1.00 20.00 H new ATOM 0 HD21 LEU A 37 27.315 33.815 16.787 1.00 20.00 H new ATOM 0 HD22 LEU A 37 27.014 32.267 15.962 1.00 20.00 H new ATOM 0 HD23 LEU A 37 26.260 32.596 17.540 1.00 20.00 H new ATOM 517 N THR A 38 29.979 28.178 17.151 1.00 20.00 N ATOM 518 CA THR A 38 31.293 27.542 17.162 1.00 20.00 C ATOM 519 C THR A 38 31.171 26.027 17.389 1.00 20.00 C ATOM 520 O THR A 38 31.761 25.255 16.635 1.00 20.00 O ATOM 521 CB THR A 38 32.195 28.255 18.194 1.00 20.00 C ATOM 522 OG1 THR A 38 33.503 27.727 18.145 1.00 20.00 O ATOM 523 CG2 THR A 38 31.706 28.183 19.647 1.00 20.00 C ATOM 0 H THR A 38 29.347 27.778 17.845 1.00 20.00 H new ATOM 0 HA THR A 38 31.770 27.649 16.188 1.00 20.00 H new ATOM 0 HB THR A 38 32.166 29.305 17.904 1.00 20.00 H new ATOM 0 HG1 THR A 38 34.081 28.227 18.759 1.00 20.00 H new ATOM 0 HG21 THR A 38 32.406 28.712 20.293 1.00 20.00 H new ATOM 0 HG22 THR A 38 30.722 28.645 19.723 1.00 20.00 H new ATOM 0 HG23 THR A 38 31.642 27.140 19.958 1.00 20.00 H new ATOM 531 N GLY A 39 30.375 25.609 18.386 1.00 20.00 N ATOM 532 CA GLY A 39 30.145 24.220 18.775 1.00 20.00 C ATOM 533 C GLY A 39 30.712 23.880 20.158 1.00 20.00 C ATOM 534 O GLY A 39 30.123 23.059 20.859 1.00 20.00 O ATOM 0 H GLY A 39 29.853 26.266 18.966 1.00 20.00 H new ATOM 0 HA2 GLY A 39 29.073 24.020 18.769 1.00 20.00 H new ATOM 0 HA3 GLY A 39 30.596 23.562 18.032 1.00 20.00 H new ATOM 538 N CYS A 40 31.821 24.515 20.568 1.00 20.00 N ATOM 539 CA CYS A 40 32.395 24.359 21.907 1.00 20.00 C ATOM 540 C CYS A 40 31.620 25.115 22.983 1.00 20.00 C ATOM 541 O CYS A 40 31.654 24.740 24.154 1.00 20.00 O ATOM 542 CB CYS A 40 33.852 24.805 21.891 1.00 20.00 C ATOM 543 SG CYS A 40 34.864 24.002 23.168 1.00 20.00 S ATOM 0 H CYS A 40 32.346 25.155 19.972 1.00 20.00 H new ATOM 0 HA CYS A 40 32.328 23.302 22.166 1.00 20.00 H new ATOM 0 HB2 CYS A 40 34.279 24.591 20.911 1.00 20.00 H new ATOM 0 HB3 CYS A 40 33.895 25.885 22.029 1.00 20.00 H new ATOM 548 N LYS A 41 30.871 26.131 22.543 1.00 20.00 N ATOM 549 CA LYS A 41 29.760 26.750 23.269 1.00 20.00 C ATOM 550 C LYS A 41 30.206 27.465 24.564 1.00 20.00 C ATOM 551 O LYS A 41 29.415 27.653 25.486 1.00 20.00 O ATOM 552 CB LYS A 41 28.672 25.673 23.461 1.00 20.00 C ATOM 553 CG LYS A 41 27.271 26.234 23.718 1.00 20.00 C ATOM 554 CD LYS A 41 26.233 25.104 23.731 1.00 20.00 C ATOM 555 CE LYS A 41 24.880 25.587 24.257 1.00 20.00 C ATOM 556 NZ LYS A 41 24.923 25.848 25.708 1.00 20.00 N ATOM 0 H LYS A 41 31.030 26.562 21.632 1.00 20.00 H new ATOM 0 HA LYS A 41 29.334 27.568 22.688 1.00 20.00 H new ATOM 0 HB2 LYS A 41 28.641 25.042 22.573 1.00 20.00 H new ATOM 0 HB3 LYS A 41 28.954 25.033 24.297 1.00 20.00 H new ATOM 0 HG2 LYS A 41 27.254 26.762 24.671 1.00 20.00 H new ATOM 0 HG3 LYS A 41 27.017 26.960 22.946 1.00 20.00 H new ATOM 0 HD2 LYS A 41 26.112 24.709 22.722 1.00 20.00 H new ATOM 0 HD3 LYS A 41 26.594 24.285 24.353 1.00 20.00 H new ATOM 0 HE2 LYS A 41 24.588 26.496 23.732 1.00 20.00 H new ATOM 0 HE3 LYS A 41 24.118 24.838 24.044 1.00 20.00 H new ATOM 0 HZ1 LYS A 41 24.028 26.285 26.009 1.00 20.00 H new ATOM 0 HZ2 LYS A 41 25.060 24.952 26.218 1.00 20.00 H new ATOM 0 HZ3 LYS A 41 25.711 26.492 25.922 1.00 20.00 H new ATOM 570 N GLY A 42 31.482 27.869 24.631 1.00 20.00 N ATOM 571 CA GLY A 42 32.069 28.610 25.739 1.00 20.00 C ATOM 572 C GLY A 42 33.205 29.507 25.249 1.00 20.00 C ATOM 573 O GLY A 42 34.235 29.004 24.805 1.00 20.00 O ATOM 0 H GLY A 42 32.151 27.679 23.885 1.00 20.00 H new ATOM 0 HA2 GLY A 42 31.304 29.216 26.223 1.00 20.00 H new ATOM 0 HA3 GLY A 42 32.446 27.914 26.489 1.00 20.00 H new ATOM 577 N LYS A 43 33.014 30.833 25.343 1.00 20.00 N ATOM 578 CA LYS A 43 33.941 31.914 25.026 1.00 20.00 C ATOM 579 C LYS A 43 34.403 31.961 23.565 1.00 20.00 C ATOM 580 O LYS A 43 35.350 32.665 23.221 1.00 20.00 O ATOM 581 CB LYS A 43 35.102 31.851 26.015 1.00 20.00 C ATOM 582 CG LYS A 43 35.497 33.263 26.469 1.00 20.00 C ATOM 583 CD LYS A 43 36.919 33.339 27.040 1.00 20.00 C ATOM 584 CE LYS A 43 37.970 33.197 25.925 1.00 20.00 C ATOM 585 NZ LYS A 43 39.339 33.243 26.475 1.00 20.00 N ATOM 0 H LYS A 43 32.122 31.201 25.674 1.00 20.00 H new ATOM 0 HA LYS A 43 33.406 32.857 25.136 1.00 20.00 H new ATOM 0 HB2 LYS A 43 34.819 31.250 26.879 1.00 20.00 H new ATOM 0 HB3 LYS A 43 35.957 31.359 25.551 1.00 20.00 H new ATOM 0 HG2 LYS A 43 35.415 33.946 25.623 1.00 20.00 H new ATOM 0 HG3 LYS A 43 34.790 33.606 27.225 1.00 20.00 H new ATOM 0 HD2 LYS A 43 37.057 34.289 27.556 1.00 20.00 H new ATOM 0 HD3 LYS A 43 37.060 32.551 27.780 1.00 20.00 H new ATOM 0 HE2 LYS A 43 37.819 32.256 25.396 1.00 20.00 H new ATOM 0 HE3 LYS A 43 37.841 33.997 25.196 1.00 20.00 H new ATOM 0 HZ1 LYS A 43 40.027 33.145 25.702 1.00 20.00 H new ATOM 0 HZ2 LYS A 43 39.489 34.152 26.959 1.00 20.00 H new ATOM 0 HZ3 LYS A 43 39.467 32.465 27.153 1.00 20.00 H new ATOM 599 N GLY A 44 33.729 31.183 22.721 1.00 20.00 N ATOM 600 CA GLY A 44 34.047 30.956 21.319 1.00 20.00 C ATOM 601 C GLY A 44 34.978 29.751 21.105 1.00 20.00 C ATOM 602 O GLY A 44 35.125 29.310 19.965 1.00 20.00 O ATOM 0 H GLY A 44 32.901 30.667 23.017 1.00 20.00 H new ATOM 0 HA2 GLY A 44 33.123 30.798 20.763 1.00 20.00 H new ATOM 0 HA3 GLY A 44 34.517 31.850 20.909 1.00 20.00 H new ATOM 606 N GLY A 45 35.580 29.213 22.180 1.00 20.00 N ATOM 607 CA GLY A 45 36.394 28.004 22.196 1.00 20.00 C ATOM 608 C GLY A 45 37.776 28.193 21.563 1.00 20.00 C ATOM 609 O GLY A 45 37.887 28.315 20.344 1.00 20.00 O ATOM 0 H GLY A 45 35.503 29.638 23.104 1.00 20.00 H new ATOM 0 HA2 GLY A 45 36.517 27.671 23.227 1.00 20.00 H new ATOM 0 HA3 GLY A 45 35.865 27.212 21.666 1.00 20.00 H new ATOM 613 N GLU A 46 38.828 28.199 22.392 1.00 20.00 N ATOM 614 CA GLU A 46 40.229 28.120 21.960 1.00 20.00 C ATOM 615 C GLU A 46 40.595 26.685 21.529 1.00 20.00 C ATOM 616 O GLU A 46 39.756 25.782 21.591 1.00 20.00 O ATOM 617 CB GLU A 46 41.136 28.655 23.088 1.00 20.00 C ATOM 618 CG GLU A 46 41.265 27.696 24.282 1.00 20.00 C ATOM 619 CD GLU A 46 41.463 28.446 25.599 1.00 20.00 C ATOM 620 OE1 GLU A 46 40.465 28.567 26.343 1.00 20.00 O ATOM 621 OE2 GLU A 46 42.594 28.928 25.829 1.00 20.00 O ATOM 0 H GLU A 46 38.726 28.260 23.405 1.00 20.00 H new ATOM 0 HA GLU A 46 40.381 28.745 21.080 1.00 20.00 H new ATOM 0 HB2 GLU A 46 42.128 28.852 22.682 1.00 20.00 H new ATOM 0 HB3 GLU A 46 40.741 29.608 23.439 1.00 20.00 H new ATOM 0 HG2 GLU A 46 40.370 27.077 24.348 1.00 20.00 H new ATOM 0 HG3 GLU A 46 42.107 27.023 24.118 1.00 20.00 H new ATOM 628 N CYS A 47 41.850 26.479 21.094 1.00 20.00 N ATOM 629 CA CYS A 47 42.343 25.198 20.579 1.00 20.00 C ATOM 630 C CYS A 47 43.755 24.898 21.125 1.00 20.00 C ATOM 631 O CYS A 47 44.710 24.740 20.365 1.00 20.00 O ATOM 632 CB CYS A 47 42.248 25.226 19.044 1.00 20.00 C ATOM 633 SG CYS A 47 42.371 23.638 18.161 1.00 20.00 S ATOM 0 H CYS A 47 42.559 27.212 21.092 1.00 20.00 H new ATOM 0 HA CYS A 47 41.728 24.368 20.927 1.00 20.00 H new ATOM 0 HB2 CYS A 47 41.298 25.687 18.775 1.00 20.00 H new ATOM 0 HB3 CYS A 47 43.036 25.880 18.671 1.00 20.00 H new ATOM 638 N ASN A 48 43.883 24.864 22.462 1.00 20.00 N ATOM 639 CA ASN A 48 45.121 24.599 23.202 1.00 20.00 C ATOM 640 C ASN A 48 45.623 23.156 22.994 1.00 20.00 C ATOM 641 O ASN A 48 44.845 22.274 22.633 1.00 20.00 O ATOM 642 CB ASN A 48 44.879 24.884 24.698 1.00 20.00 C ATOM 643 CG ASN A 48 45.157 26.342 25.101 1.00 20.00 C ATOM 644 OD1 ASN A 48 45.668 26.578 26.193 1.00 20.00 O ATOM 645 ND2 ASN A 48 44.852 27.320 24.238 1.00 20.00 N ATOM 0 H ASN A 48 43.089 25.028 23.081 1.00 20.00 H new ATOM 0 HA ASN A 48 45.901 25.258 22.820 1.00 20.00 H new ATOM 0 HB2 ASN A 48 43.846 24.639 24.943 1.00 20.00 H new ATOM 0 HB3 ASN A 48 45.512 24.225 25.292 1.00 20.00 H new ATOM 0 HD21 ASN A 48 45.044 28.292 24.480 1.00 20.00 H new ATOM 0 HD22 ASN A 48 44.428 27.093 23.338 1.00 20.00 H new ATOM 652 N PRO A 49 46.920 22.885 23.240 1.00 20.00 N ATOM 653 CA PRO A 49 47.532 21.577 23.001 1.00 20.00 C ATOM 654 C PRO A 49 46.995 20.480 23.934 1.00 20.00 C ATOM 655 O PRO A 49 46.403 20.765 24.974 1.00 20.00 O ATOM 656 CB PRO A 49 49.040 21.796 23.196 1.00 20.00 C ATOM 657 CG PRO A 49 49.099 22.959 24.183 1.00 20.00 C ATOM 658 CD PRO A 49 47.919 23.817 23.744 1.00 20.00 C ATOM 0 HA PRO A 49 47.293 21.217 22.000 1.00 20.00 H new ATOM 0 HB2 PRO A 49 49.528 20.906 23.593 1.00 20.00 H new ATOM 0 HB3 PRO A 49 49.536 22.040 22.257 1.00 20.00 H new ATOM 0 HG2 PRO A 49 48.996 22.623 25.215 1.00 20.00 H new ATOM 0 HG3 PRO A 49 50.043 23.501 24.117 1.00 20.00 H new ATOM 0 HD2 PRO A 49 47.526 24.399 24.578 1.00 20.00 H new ATOM 0 HD3 PRO A 49 48.217 24.527 22.972 1.00 20.00 H new ATOM 666 N LEU A 50 47.247 19.216 23.576 1.00 20.00 N ATOM 667 CA LEU A 50 46.945 18.054 24.416 1.00 20.00 C ATOM 668 C LEU A 50 47.810 18.001 25.683 1.00 20.00 C ATOM 669 O LEU A 50 47.433 17.327 26.636 1.00 20.00 O ATOM 670 CB LEU A 50 47.139 16.756 23.596 1.00 20.00 C ATOM 671 CG LEU A 50 46.090 16.557 22.469 1.00 20.00 C ATOM 672 CD1 LEU A 50 46.521 15.412 21.535 1.00 20.00 C ATOM 673 CD2 LEU A 50 44.684 16.251 22.997 1.00 20.00 C ATOM 0 H LEU A 50 47.672 18.969 22.682 1.00 20.00 H new ATOM 0 HA LEU A 50 45.908 18.147 24.738 1.00 20.00 H new ATOM 0 HB2 LEU A 50 48.135 16.764 23.154 1.00 20.00 H new ATOM 0 HB3 LEU A 50 47.097 15.902 24.272 1.00 20.00 H new ATOM 0 HG LEU A 50 46.045 17.504 21.931 1.00 20.00 H new ATOM 0 HD11 LEU A 50 45.776 15.283 20.749 1.00 20.00 H new ATOM 0 HD12 LEU A 50 47.485 15.652 21.086 1.00 20.00 H new ATOM 0 HD13 LEU A 50 46.608 14.489 22.107 1.00 20.00 H new ATOM 0 HD21 LEU A 50 44.000 16.123 22.158 1.00 20.00 H new ATOM 0 HD22 LEU A 50 44.709 15.335 23.588 1.00 20.00 H new ATOM 0 HD23 LEU A 50 44.342 17.077 23.621 1.00 20.00 H new ATOM 685 N ASP A 51 48.913 18.760 25.730 1.00 20.00 N ATOM 686 CA ASP A 51 49.758 18.947 26.910 1.00 20.00 C ATOM 687 C ASP A 51 49.036 19.694 28.048 1.00 20.00 C ATOM 688 O ASP A 51 49.393 19.521 29.216 1.00 20.00 O ATOM 689 CB ASP A 51 51.009 19.753 26.526 1.00 20.00 C ATOM 690 CG ASP A 51 51.909 19.010 25.542 1.00 20.00 C ATOM 691 OD1 ASP A 51 52.798 18.269 26.016 1.00 20.00 O ATOM 692 OD2 ASP A 51 51.710 19.207 24.323 1.00 20.00 O ATOM 0 H ASP A 51 49.250 19.277 24.918 1.00 20.00 H new ATOM 0 HA ASP A 51 50.020 17.952 27.269 1.00 20.00 H new ATOM 0 HB2 ASP A 51 50.704 20.703 26.087 1.00 20.00 H new ATOM 0 HB3 ASP A 51 51.577 19.986 27.427 1.00 20.00 H new ATOM 697 N ARG A 52 48.024 20.518 27.721 1.00 20.00 N ATOM 698 CA ARG A 52 47.308 21.357 28.686 1.00 20.00 C ATOM 699 C ARG A 52 46.463 20.504 29.638 1.00 20.00 C ATOM 700 O ARG A 52 45.950 19.458 29.248 1.00 20.00 O ATOM 701 CB ARG A 52 46.451 22.386 27.917 1.00 20.00 C ATOM 702 CG ARG A 52 46.273 23.707 28.678 1.00 20.00 C ATOM 703 CD ARG A 52 47.562 24.539 28.635 1.00 20.00 C ATOM 704 NE ARG A 52 47.515 25.696 29.541 1.00 20.00 N ATOM 705 CZ ARG A 52 48.506 26.580 29.721 1.00 20.00 C ATOM 706 NH1 ARG A 52 49.645 26.501 29.033 1.00 20.00 N ATOM 707 NH2 ARG A 52 48.367 27.557 30.614 1.00 20.00 N ATOM 0 H ARG A 52 47.680 20.618 26.766 1.00 20.00 H new ATOM 0 HA ARG A 52 48.025 21.894 29.307 1.00 20.00 H new ATOM 0 HB2 ARG A 52 46.916 22.589 26.952 1.00 20.00 H new ATOM 0 HB3 ARG A 52 45.471 21.955 27.714 1.00 20.00 H new ATOM 0 HG2 ARG A 52 45.453 24.276 28.241 1.00 20.00 H new ATOM 0 HG3 ARG A 52 46.002 23.502 29.714 1.00 20.00 H new ATOM 0 HD2 ARG A 52 48.408 23.906 28.902 1.00 20.00 H new ATOM 0 HD3 ARG A 52 47.733 24.886 27.616 1.00 20.00 H new ATOM 0 HE ARG A 52 46.658 25.837 30.076 1.00 20.00 H new ATOM 0 HH11 ARG A 52 49.778 25.755 28.350 1.00 20.00 H new ATOM 0 HH12 ARG A 52 50.384 27.187 29.189 1.00 20.00 H new ATOM 0 HH21 ARG A 52 47.508 27.631 31.159 1.00 20.00 H new ATOM 0 HH22 ARG A 52 49.119 28.231 30.753 1.00 20.00 H new ATOM 721 N GLN A 53 46.294 20.971 30.878 1.00 20.00 N ATOM 722 CA GLN A 53 45.553 20.272 31.928 1.00 20.00 C ATOM 723 C GLN A 53 44.047 20.600 31.932 1.00 20.00 C ATOM 724 O GLN A 53 43.330 20.199 32.854 1.00 20.00 O ATOM 725 CB GLN A 53 46.188 20.554 33.297 1.00 20.00 C ATOM 726 CG GLN A 53 47.674 20.145 33.337 1.00 20.00 C ATOM 727 CD GLN A 53 48.217 19.969 34.759 1.00 20.00 C ATOM 728 OE1 GLN A 53 47.836 20.688 35.681 1.00 20.00 O ATOM 729 NE2 GLN A 53 49.110 18.994 34.944 1.00 20.00 N ATOM 0 H GLN A 53 46.677 21.865 31.185 1.00 20.00 H new ATOM 0 HA GLN A 53 45.622 19.206 31.713 1.00 20.00 H new ATOM 0 HB2 GLN A 53 46.097 21.616 33.527 1.00 20.00 H new ATOM 0 HB3 GLN A 53 45.642 20.012 34.069 1.00 20.00 H new ATOM 0 HG2 GLN A 53 47.801 19.211 32.789 1.00 20.00 H new ATOM 0 HG3 GLN A 53 48.266 20.901 32.821 1.00 20.00 H new ATOM 0 HE21 GLN A 53 49.404 18.416 34.157 1.00 20.00 H new ATOM 0 HE22 GLN A 53 49.498 18.827 35.872 1.00 20.00 H new ATOM 738 N CYS A 54 43.560 21.307 30.901 1.00 20.00 N ATOM 739 CA CYS A 54 42.150 21.621 30.688 1.00 20.00 C ATOM 740 C CYS A 54 41.292 20.352 30.544 1.00 20.00 C ATOM 741 O CYS A 54 41.791 19.233 30.402 1.00 20.00 O ATOM 742 CB CYS A 54 41.998 22.526 29.455 1.00 20.00 C ATOM 743 SG CYS A 54 40.505 23.551 29.382 1.00 20.00 S ATOM 0 H CYS A 54 44.163 21.686 30.171 1.00 20.00 H new ATOM 0 HA CYS A 54 41.787 22.151 31.569 1.00 20.00 H new ATOM 0 HB2 CYS A 54 42.866 23.184 29.406 1.00 20.00 H new ATOM 0 HB3 CYS A 54 42.024 21.897 28.565 1.00 20.00 H new ATOM 748 N LYS A 55 39.977 20.568 30.574 1.00 20.00 N ATOM 749 CA LYS A 55 38.933 19.560 30.635 1.00 20.00 C ATOM 750 C LYS A 55 37.727 20.069 29.850 1.00 20.00 C ATOM 751 O LYS A 55 37.128 21.080 30.221 1.00 20.00 O ATOM 752 CB LYS A 55 38.575 19.302 32.108 1.00 20.00 C ATOM 753 CG LYS A 55 37.656 18.084 32.275 1.00 20.00 C ATOM 754 CD LYS A 55 38.469 16.821 32.599 1.00 20.00 C ATOM 755 CE LYS A 55 37.610 15.553 32.599 1.00 20.00 C ATOM 756 NZ LYS A 55 36.565 15.585 33.641 1.00 20.00 N ATOM 0 H LYS A 55 39.594 21.513 30.555 1.00 20.00 H new ATOM 0 HA LYS A 55 39.266 18.620 30.196 1.00 20.00 H new ATOM 0 HB2 LYS A 55 39.489 19.147 32.681 1.00 20.00 H new ATOM 0 HB3 LYS A 55 38.086 20.184 32.521 1.00 20.00 H new ATOM 0 HG2 LYS A 55 36.937 18.273 33.073 1.00 20.00 H new ATOM 0 HG3 LYS A 55 37.084 17.928 31.361 1.00 20.00 H new ATOM 0 HD2 LYS A 55 39.271 16.712 31.869 1.00 20.00 H new ATOM 0 HD3 LYS A 55 38.940 16.937 33.575 1.00 20.00 H new ATOM 0 HE2 LYS A 55 37.142 15.434 31.622 1.00 20.00 H new ATOM 0 HE3 LYS A 55 38.249 14.684 32.755 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 36.020 14.699 33.614 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 37.010 15.689 34.575 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 35.928 16.389 33.469 1.00 20.00 H new ATOM 770 N GLU A 56 37.403 19.386 28.746 1.00 20.00 N ATOM 771 CA GLU A 56 36.434 19.873 27.769 1.00 20.00 C ATOM 772 C GLU A 56 35.752 18.724 27.007 1.00 20.00 C ATOM 773 O GLU A 56 36.088 17.550 27.183 1.00 20.00 O ATOM 774 CB GLU A 56 37.160 20.858 26.816 1.00 20.00 C ATOM 775 CG GLU A 56 36.282 22.028 26.339 1.00 20.00 C ATOM 776 CD GLU A 56 35.713 22.838 27.504 1.00 20.00 C ATOM 777 OE1 GLU A 56 36.521 23.460 28.227 1.00 20.00 O ATOM 778 OE2 GLU A 56 34.474 22.809 27.675 1.00 20.00 O ATOM 0 H GLU A 56 37.808 18.480 28.509 1.00 20.00 H new ATOM 0 HA GLU A 56 35.628 20.395 28.285 1.00 20.00 H new ATOM 0 HB2 GLU A 56 38.037 21.259 27.324 1.00 20.00 H new ATOM 0 HB3 GLU A 56 37.519 20.308 25.946 1.00 20.00 H new ATOM 0 HG2 GLU A 56 36.871 22.683 25.697 1.00 20.00 H new ATOM 0 HG3 GLU A 56 35.462 21.641 25.734 1.00 20.00 H new ATOM 785 N LEU A 57 34.792 19.089 26.149 1.00 20.00 N ATOM 786 CA LEU A 57 34.079 18.201 25.236 1.00 20.00 C ATOM 787 C LEU A 57 35.014 17.460 24.276 1.00 20.00 C ATOM 788 O LEU A 57 35.949 18.045 23.729 1.00 20.00 O ATOM 789 CB LEU A 57 33.036 18.980 24.410 1.00 20.00 C ATOM 790 CG LEU A 57 33.415 20.409 23.970 1.00 20.00 C ATOM 791 CD1 LEU A 57 32.942 20.653 22.538 1.00 20.00 C ATOM 792 CD2 LEU A 57 32.780 21.444 24.914 1.00 20.00 C ATOM 0 H LEU A 57 34.480 20.057 26.072 1.00 20.00 H new ATOM 0 HA LEU A 57 33.583 17.462 25.866 1.00 20.00 H new ATOM 0 HB2 LEU A 57 32.810 18.399 23.516 1.00 20.00 H new ATOM 0 HB3 LEU A 57 32.117 19.038 24.993 1.00 20.00 H new ATOM 0 HG LEU A 57 34.499 20.514 24.013 1.00 20.00 H new ATOM 0 HD11 LEU A 57 33.212 21.664 22.233 1.00 20.00 H new ATOM 0 HD12 LEU A 57 33.416 19.933 21.871 1.00 20.00 H new ATOM 0 HD13 LEU A 57 31.859 20.536 22.488 1.00 20.00 H new ATOM 0 HD21 LEU A 57 33.056 22.448 24.592 1.00 20.00 H new ATOM 0 HD22 LEU A 57 31.695 21.341 24.890 1.00 20.00 H new ATOM 0 HD23 LEU A 57 33.138 21.278 25.930 1.00 20.00 H new ATOM 804 N GLN A 58 34.686 16.182 24.045 1.00 20.00 N ATOM 805 CA GLN A 58 35.326 15.283 23.088 1.00 20.00 C ATOM 806 C GLN A 58 34.951 15.552 21.621 1.00 20.00 C ATOM 807 O GLN A 58 35.582 14.989 20.728 1.00 20.00 O ATOM 808 CB GLN A 58 35.002 13.832 23.485 1.00 20.00 C ATOM 809 CG GLN A 58 35.865 13.358 24.672 1.00 20.00 C ATOM 810 CD GLN A 58 37.357 13.252 24.328 1.00 20.00 C ATOM 811 OE1 GLN A 58 37.726 12.897 23.213 1.00 20.00 O ATOM 812 NE2 GLN A 58 38.233 13.555 25.283 1.00 20.00 N ATOM 0 H GLN A 58 33.925 15.727 24.550 1.00 20.00 H new ATOM 0 HA GLN A 58 36.399 15.466 23.137 1.00 20.00 H new ATOM 0 HB2 GLN A 58 33.947 13.754 23.748 1.00 20.00 H new ATOM 0 HB3 GLN A 58 35.167 13.176 22.631 1.00 20.00 H new ATOM 0 HG2 GLN A 58 35.739 14.050 25.504 1.00 20.00 H new ATOM 0 HG3 GLN A 58 35.506 12.385 25.009 1.00 20.00 H new ATOM 0 HE21 GLN A 58 37.904 13.848 26.203 1.00 20.00 H new ATOM 0 HE22 GLN A 58 39.234 13.494 25.095 1.00 20.00 H new ATOM 821 N ALA A 59 33.954 16.410 21.352 1.00 20.00 N ATOM 822 CA ALA A 59 33.501 16.741 19.997 1.00 20.00 C ATOM 823 C ALA A 59 34.524 17.648 19.282 1.00 20.00 C ATOM 824 O ALA A 59 35.215 17.189 18.369 1.00 20.00 O ATOM 825 CB ALA A 59 32.100 17.365 20.055 1.00 20.00 C ATOM 0 H ALA A 59 33.435 16.898 22.081 1.00 20.00 H new ATOM 0 HA ALA A 59 33.431 15.828 19.405 1.00 20.00 H new ATOM 0 HB1 ALA A 59 31.768 17.609 19.046 1.00 20.00 H new ATOM 0 HB2 ALA A 59 31.404 16.656 20.504 1.00 20.00 H new ATOM 0 HB3 ALA A 59 32.131 18.274 20.656 1.00 20.00 H new ATOM 831 N GLU A 60 34.620 18.920 19.695 1.00 20.00 N ATOM 832 CA GLU A 60 35.512 19.926 19.120 1.00 20.00 C ATOM 833 C GLU A 60 36.984 19.613 19.341 1.00 20.00 C ATOM 834 O GLU A 60 37.819 20.022 18.542 1.00 20.00 O ATOM 835 CB GLU A 60 35.232 21.287 19.746 1.00 20.00 C ATOM 836 CG GLU A 60 33.903 21.843 19.242 1.00 20.00 C ATOM 837 CD GLU A 60 34.081 22.826 18.083 1.00 20.00 C ATOM 838 OE1 GLU A 60 34.002 24.045 18.357 1.00 20.00 O ATOM 839 OE2 GLU A 60 34.343 22.352 16.955 1.00 20.00 O ATOM 0 H GLU A 60 34.058 19.285 20.464 1.00 20.00 H new ATOM 0 HA GLU A 60 35.315 19.927 18.048 1.00 20.00 H new ATOM 0 HB2 GLU A 60 35.207 21.196 20.832 1.00 20.00 H new ATOM 0 HB3 GLU A 60 36.038 21.979 19.503 1.00 20.00 H new ATOM 0 HG2 GLU A 60 33.266 21.019 18.920 1.00 20.00 H new ATOM 0 HG3 GLU A 60 33.387 22.343 20.062 1.00 20.00 H new ATOM 846 N SER A 61 37.310 18.898 20.421 1.00 20.00 N ATOM 847 CA SER A 61 38.687 18.491 20.717 1.00 20.00 C ATOM 848 C SER A 61 39.232 17.487 19.692 1.00 20.00 C ATOM 849 O SER A 61 40.384 17.615 19.277 1.00 20.00 O ATOM 850 CB SER A 61 38.817 17.939 22.137 1.00 20.00 C ATOM 851 OG SER A 61 38.160 16.709 22.275 1.00 20.00 O ATOM 0 H SER A 61 36.629 18.585 21.113 1.00 20.00 H new ATOM 0 HA SER A 61 39.297 19.392 20.645 1.00 20.00 H new ATOM 0 HB2 SER A 61 39.871 17.819 22.386 1.00 20.00 H new ATOM 0 HB3 SER A 61 38.402 18.655 22.846 1.00 20.00 H new ATOM 0 HG SER A 61 38.395 16.308 23.138 1.00 20.00 H new ATOM 857 N ALA A 62 38.405 16.513 19.279 1.00 20.00 N ATOM 858 CA ALA A 62 38.735 15.566 18.226 1.00 20.00 C ATOM 859 C ALA A 62 38.775 16.228 16.842 1.00 20.00 C ATOM 860 O ALA A 62 39.416 15.695 15.940 1.00 20.00 O ATOM 861 CB ALA A 62 37.708 14.433 18.277 1.00 20.00 C ATOM 0 H ALA A 62 37.478 16.368 19.679 1.00 20.00 H new ATOM 0 HA ALA A 62 39.738 15.173 18.392 1.00 20.00 H new ATOM 0 HB1 ALA A 62 37.930 13.705 17.497 1.00 20.00 H new ATOM 0 HB2 ALA A 62 37.752 13.946 19.251 1.00 20.00 H new ATOM 0 HB3 ALA A 62 36.709 14.840 18.120 1.00 20.00 H new ATOM 867 N SER A 63 38.140 17.399 16.692 1.00 20.00 N ATOM 868 CA SER A 63 38.153 18.220 15.483 1.00 20.00 C ATOM 869 C SER A 63 39.300 19.256 15.473 1.00 20.00 C ATOM 870 O SER A 63 39.641 19.761 14.401 1.00 20.00 O ATOM 871 CB SER A 63 36.806 18.942 15.350 1.00 20.00 C ATOM 872 OG SER A 63 35.750 18.013 15.205 1.00 20.00 O ATOM 0 H SER A 63 37.583 17.812 17.440 1.00 20.00 H new ATOM 0 HA SER A 63 38.320 17.553 14.637 1.00 20.00 H new ATOM 0 HB2 SER A 63 36.632 19.562 16.229 1.00 20.00 H new ATOM 0 HB3 SER A 63 36.830 19.610 14.489 1.00 20.00 H new ATOM 0 HG SER A 63 35.507 17.654 16.084 1.00 20.00 H new ATOM 878 N CYS A 64 39.914 19.556 16.634 1.00 20.00 N ATOM 879 CA CYS A 64 41.064 20.457 16.771 1.00 20.00 C ATOM 880 C CYS A 64 42.305 19.837 16.116 1.00 20.00 C ATOM 881 O CYS A 64 42.980 20.522 15.351 1.00 20.00 O ATOM 882 CB CYS A 64 41.283 20.809 18.258 1.00 20.00 C ATOM 883 SG CYS A 64 40.780 22.490 18.747 1.00 20.00 S ATOM 0 H CYS A 64 39.611 19.164 17.526 1.00 20.00 H new ATOM 0 HA CYS A 64 40.866 21.392 16.247 1.00 20.00 H new ATOM 0 HB2 CYS A 64 40.733 20.092 18.868 1.00 20.00 H new ATOM 0 HB3 CYS A 64 42.340 20.682 18.492 1.00 20.00 H new ATOM 888 N GLY A 65 42.570 18.545 16.361 1.00 20.00 N ATOM 889 CA GLY A 65 43.595 17.769 15.667 1.00 20.00 C ATOM 890 C GLY A 65 44.327 16.785 16.586 1.00 20.00 C ATOM 891 O GLY A 65 44.118 16.768 17.800 1.00 20.00 O ATOM 0 H GLY A 65 42.064 18.004 17.063 1.00 20.00 H new ATOM 0 HA2 GLY A 65 43.133 17.218 14.848 1.00 20.00 H new ATOM 0 HA3 GLY A 65 44.320 18.451 15.223 1.00 20.00 H new ATOM 895 N LYS A 66 45.215 15.974 15.988 1.00 20.00 N ATOM 896 CA LYS A 66 46.135 15.074 16.690 1.00 20.00 C ATOM 897 C LYS A 66 47.334 15.882 17.210 1.00 20.00 C ATOM 898 O LYS A 66 48.442 15.809 16.677 1.00 20.00 O ATOM 899 CB LYS A 66 46.563 13.914 15.772 1.00 20.00 C ATOM 900 CG LYS A 66 45.417 12.918 15.539 1.00 20.00 C ATOM 901 CD LYS A 66 45.841 11.686 14.729 1.00 20.00 C ATOM 902 CE LYS A 66 46.862 10.827 15.509 1.00 20.00 C ATOM 903 NZ LYS A 66 47.161 9.560 14.799 1.00 20.00 N ATOM 0 H LYS A 66 45.313 15.928 14.974 1.00 20.00 H new ATOM 0 HA LYS A 66 45.634 14.624 17.547 1.00 20.00 H new ATOM 0 HB2 LYS A 66 46.898 14.313 14.815 1.00 20.00 H new ATOM 0 HB3 LYS A 66 47.412 13.394 16.215 1.00 20.00 H new ATOM 0 HG2 LYS A 66 45.025 12.594 16.503 1.00 20.00 H new ATOM 0 HG3 LYS A 66 44.604 13.425 15.019 1.00 20.00 H new ATOM 0 HD2 LYS A 66 44.963 11.085 14.490 1.00 20.00 H new ATOM 0 HD3 LYS A 66 46.277 12.003 13.782 1.00 20.00 H new ATOM 0 HE2 LYS A 66 47.783 11.393 15.649 1.00 20.00 H new ATOM 0 HE3 LYS A 66 46.470 10.605 16.501 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 47.849 9.008 15.349 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 46.286 9.010 14.687 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 47.558 9.773 13.862 1.00 20.00 H new ATOM 917 N GLY A 67 47.085 16.661 18.268 1.00 20.00 N ATOM 918 CA GLY A 67 48.060 17.529 18.916 1.00 20.00 C ATOM 919 C GLY A 67 47.417 18.601 19.800 1.00 20.00 C ATOM 920 O GLY A 67 48.104 19.153 20.660 1.00 20.00 O ATOM 0 H GLY A 67 46.166 16.702 18.708 1.00 20.00 H new ATOM 0 HA2 GLY A 67 48.732 16.921 19.523 1.00 20.00 H new ATOM 0 HA3 GLY A 67 48.670 18.013 18.153 1.00 20.00 H new ATOM 924 N GLN A 68 46.116 18.886 19.616 1.00 20.00 N ATOM 925 CA GLN A 68 45.372 19.917 20.314 1.00 20.00 C ATOM 926 C GLN A 68 43.908 19.523 20.544 1.00 20.00 C ATOM 927 O GLN A 68 43.448 18.470 20.107 1.00 20.00 O ATOM 928 CB GLN A 68 45.534 21.231 19.542 1.00 20.00 C ATOM 929 CG GLN A 68 45.235 21.145 18.042 1.00 20.00 C ATOM 930 CD GLN A 68 45.513 22.453 17.295 1.00 20.00 C ATOM 931 OE1 GLN A 68 46.323 23.276 17.715 1.00 20.00 O ATOM 932 NE2 GLN A 68 44.857 22.651 16.153 1.00 20.00 N ATOM 0 H GLN A 68 45.542 18.375 18.946 1.00 20.00 H new ATOM 0 HA GLN A 68 45.776 20.050 21.318 1.00 20.00 H new ATOM 0 HB2 GLN A 68 44.876 21.978 19.985 1.00 20.00 H new ATOM 0 HB3 GLN A 68 46.556 21.588 19.673 1.00 20.00 H new ATOM 0 HG2 GLN A 68 45.836 20.349 17.603 1.00 20.00 H new ATOM 0 HG3 GLN A 68 44.190 20.869 17.902 1.00 20.00 H new ATOM 0 HE21 GLN A 68 44.189 21.955 15.822 1.00 20.00 H new ATOM 0 HE22 GLN A 68 45.023 23.498 15.610 1.00 20.00 H new ATOM 941 N LYS A 69 43.194 20.377 21.284 1.00 20.00 N ATOM 942 CA LYS A 69 41.844 20.154 21.787 1.00 20.00 C ATOM 943 C LYS A 69 41.116 21.471 22.093 1.00 20.00 C ATOM 944 O LYS A 69 41.775 22.492 22.286 1.00 20.00 O ATOM 945 CB LYS A 69 41.898 19.303 23.075 1.00 20.00 C ATOM 946 CG LYS A 69 42.803 19.854 24.195 1.00 20.00 C ATOM 947 CD LYS A 69 42.378 19.253 25.547 1.00 20.00 C ATOM 948 CE LYS A 69 43.238 19.750 26.716 1.00 20.00 C ATOM 949 NZ LYS A 69 44.582 19.143 26.698 1.00 20.00 N ATOM 0 H LYS A 69 43.565 21.286 21.560 1.00 20.00 H new ATOM 0 HA LYS A 69 41.291 19.632 21.006 1.00 20.00 H new ATOM 0 HB2 LYS A 69 40.886 19.202 23.466 1.00 20.00 H new ATOM 0 HB3 LYS A 69 42.240 18.302 22.814 1.00 20.00 H new ATOM 0 HG2 LYS A 69 43.845 19.609 23.988 1.00 20.00 H new ATOM 0 HG3 LYS A 69 42.733 20.941 24.231 1.00 20.00 H new ATOM 0 HD2 LYS A 69 41.334 19.503 25.738 1.00 20.00 H new ATOM 0 HD3 LYS A 69 42.441 18.166 25.492 1.00 20.00 H new ATOM 0 HE2 LYS A 69 43.328 20.835 26.667 1.00 20.00 H new ATOM 0 HE3 LYS A 69 42.744 19.513 27.658 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 44.989 19.173 27.655 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 44.512 18.155 26.382 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 45.194 19.673 26.045 1.00 20.00 H new ATOM 963 N CYS A 70 39.773 21.442 22.225 1.00 20.00 N ATOM 964 CA CYS A 70 39.035 22.597 22.739 1.00 20.00 C ATOM 965 C CYS A 70 39.339 22.809 24.232 1.00 20.00 C ATOM 966 O CYS A 70 39.650 21.862 24.956 1.00 20.00 O ATOM 967 CB CYS A 70 37.510 22.514 22.493 1.00 20.00 C ATOM 968 SG CYS A 70 36.795 24.194 22.573 1.00 20.00 S ATOM 0 H CYS A 70 39.191 20.639 21.984 1.00 20.00 H new ATOM 0 HA CYS A 70 39.383 23.462 22.174 1.00 20.00 H new ATOM 0 HB2 CYS A 70 37.311 22.067 21.519 1.00 20.00 H new ATOM 0 HB3 CYS A 70 37.044 21.872 23.240 1.00 20.00 H new ATOM 973 N CYS A 71 39.217 24.062 24.687 1.00 20.00 N ATOM 974 CA CYS A 71 39.268 24.460 26.089 1.00 20.00 C ATOM 975 C CYS A 71 38.450 25.748 26.298 1.00 20.00 C ATOM 976 O CYS A 71 38.185 26.496 25.356 1.00 20.00 O ATOM 977 CB CYS A 71 40.743 24.627 26.492 1.00 20.00 C ATOM 978 SG CYS A 71 41.056 25.125 28.205 1.00 20.00 S ATOM 0 H CYS A 71 39.075 24.853 24.060 1.00 20.00 H new ATOM 0 HA CYS A 71 38.822 23.698 26.728 1.00 20.00 H new ATOM 0 HB2 CYS A 71 41.256 23.682 26.311 1.00 20.00 H new ATOM 0 HB3 CYS A 71 41.196 25.367 25.832 1.00 20.00 H new ATOM 983 N VAL A 72 38.043 25.994 27.550 1.00 20.00 N ATOM 984 CA VAL A 72 37.341 27.188 28.034 1.00 20.00 C ATOM 985 C VAL A 72 37.820 27.456 29.479 1.00 20.00 C ATOM 986 O VAL A 72 38.326 26.550 30.143 1.00 20.00 O ATOM 987 CB VAL A 72 35.801 26.984 27.951 1.00 20.00 C ATOM 988 CG1 VAL A 72 35.044 28.305 28.180 1.00 20.00 C ATOM 989 CG2 VAL A 72 35.308 26.432 26.598 1.00 20.00 C ATOM 0 H VAL A 72 38.206 25.321 28.299 1.00 20.00 H new ATOM 0 HA VAL A 72 37.568 28.055 27.414 1.00 20.00 H new ATOM 0 HB VAL A 72 35.594 26.253 28.733 1.00 20.00 H new ATOM 0 HG11 VAL A 72 33.971 28.125 28.115 1.00 20.00 H new ATOM 0 HG12 VAL A 72 35.287 28.697 29.167 1.00 20.00 H new ATOM 0 HG13 VAL A 72 35.337 29.029 27.420 1.00 20.00 H new ATOM 0 HG21 VAL A 72 34.224 26.319 26.624 1.00 20.00 H new ATOM 0 HG22 VAL A 72 35.582 27.124 25.801 1.00 20.00 H new ATOM 0 HG23 VAL A 72 35.769 25.462 26.411 1.00 20.00 H new ATOM 999 N TRP A 73 37.643 28.691 29.984 1.00 20.00 N ATOM 1000 CA TRP A 73 38.007 29.148 31.334 1.00 20.00 C ATOM 1001 C TRP A 73 39.504 29.007 31.675 1.00 20.00 C ATOM 1002 O TRP A 73 39.893 29.036 32.843 1.00 20.00 O ATOM 1003 CB TRP A 73 37.071 28.506 32.374 1.00 20.00 C ATOM 1004 CG TRP A 73 35.625 28.866 32.280 1.00 20.00 C ATOM 1005 CD1 TRP A 73 35.090 30.079 32.637 1.00 20.00 C ATOM 1006 CD2 TRP A 73 34.526 28.108 31.773 1.00 20.00 C ATOM 1007 NE1 TRP A 73 33.750 30.075 32.384 1.00 20.00 N ATOM 1008 CE2 TRP A 73 33.323 28.876 31.789 1.00 20.00 C ATOM 1009 CE3 TRP A 73 34.407 26.781 31.233 1.00 20.00 C ATOM 1010 CZ2 TRP A 73 32.120 28.430 31.304 1.00 20.00 C ATOM 1011 CZ3 TRP A 73 33.200 26.315 30.737 1.00 20.00 C ATOM 1012 CH2 TRP A 73 32.034 27.115 30.751 1.00 20.00 C ATOM 0 H TRP A 73 37.219 29.435 29.430 1.00 20.00 H new ATOM 0 HA TRP A 73 37.855 30.227 31.362 1.00 20.00 H new ATOM 0 HB2 TRP A 73 37.159 27.423 32.290 1.00 20.00 H new ATOM 0 HB3 TRP A 73 37.427 28.779 33.368 1.00 20.00 H new ATOM 0 HD1 TRP A 73 35.644 30.907 33.053 1.00 20.00 H new ATOM 0 HE1 TRP A 73 33.128 30.854 32.602 1.00 20.00 H new ATOM 0 HE3 TRP A 73 35.273 26.136 31.214 1.00 20.00 H new ATOM 0 HZ2 TRP A 73 31.247 29.065 31.340 1.00 20.00 H new ATOM 0 HZ3 TRP A 73 33.148 25.316 30.330 1.00 20.00 H new ATOM 0 HH2 TRP A 73 31.102 26.742 30.354 1.00 20.00 H new ATOM 1023 N LEU A 74 40.344 28.877 30.643 1.00 20.00 N ATOM 1024 CA LEU A 74 41.785 28.681 30.723 1.00 20.00 C ATOM 1025 C LEU A 74 42.467 29.871 31.385 1.00 20.00 C ATOM 1026 O LEU A 74 42.394 30.995 30.886 1.00 20.00 O ATOM 1027 CB LEU A 74 42.331 28.493 29.307 1.00 20.00 C ATOM 1028 CG LEU A 74 43.746 27.876 29.157 1.00 20.00 C ATOM 1029 CD1 LEU A 74 44.883 28.886 29.393 1.00 20.00 C ATOM 1030 CD2 LEU A 74 43.957 26.643 30.050 1.00 20.00 C ATOM 0 H LEU A 74 40.013 28.908 29.679 1.00 20.00 H new ATOM 0 HA LEU A 74 41.990 27.799 31.330 1.00 20.00 H new ATOM 0 HB2 LEU A 74 41.631 27.864 28.758 1.00 20.00 H new ATOM 0 HB3 LEU A 74 42.336 29.467 28.817 1.00 20.00 H new ATOM 0 HG LEU A 74 43.792 27.560 28.115 1.00 20.00 H new ATOM 0 HD11 LEU A 74 45.844 28.387 29.272 1.00 20.00 H new ATOM 0 HD12 LEU A 74 44.803 29.699 28.671 1.00 20.00 H new ATOM 0 HD13 LEU A 74 44.808 29.289 30.403 1.00 20.00 H new ATOM 0 HD21 LEU A 74 44.965 26.255 29.902 1.00 20.00 H new ATOM 0 HD22 LEU A 74 43.826 26.924 31.095 1.00 20.00 H new ATOM 0 HD23 LEU A 74 43.230 25.875 29.787 1.00 20.00 H new ATOM 1042 N HIS A 75 43.129 29.600 32.511 1.00 20.00 N ATOM 1043 CA HIS A 75 43.806 30.597 33.324 1.00 20.00 C ATOM 1044 C HIS A 75 44.758 29.913 34.313 1.00 20.00 C ATOM 1045 O HIS A 75 44.322 29.574 35.436 1.00 20.00 O ATOM 1046 CB HIS A 75 42.733 31.465 34.002 1.00 20.00 C ATOM 1047 CG HIS A 75 43.290 32.517 34.922 1.00 20.00 C ATOM 1048 ND1 HIS A 75 43.072 32.607 36.292 1.00 20.00 N ATOM 1049 CD2 HIS A 75 44.117 33.538 34.580 1.00 20.00 C ATOM 1050 CE1 HIS A 75 43.737 33.644 36.757 1.00 20.00 C ATOM 1051 NE2 HIS A 75 44.405 34.259 35.723 1.00 20.00 N ATOM 1052 OXT HIS A 75 45.936 29.739 33.932 1.00 20.00 O ATOM 0 H HIS A 75 43.208 28.655 32.888 1.00 20.00 H new ATOM 0 HA HIS A 75 44.432 31.251 32.717 1.00 20.00 H new ATOM 0 HB2 HIS A 75 42.133 31.951 33.232 1.00 20.00 H new ATOM 0 HB3 HIS A 75 42.062 30.819 34.569 1.00 20.00 H new ATOM 0 HD2 HIS A 75 44.486 33.750 33.587 1.00 20.00 H new ATOM 0 HE1 HIS A 75 43.755 33.962 37.789 1.00 20.00 H new ATOM 0 HE2 HIS A 75 44.998 35.087 35.788 1.00 20.00 H new TER 1061 HIS A 75