USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 480 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 HIS : no HE2:sc= -0.0989 K(o=3.8,f=1.7) USER MOD Set 1.2: A 52 SER OG : rot 174:sc= 2.48 USER MOD Set 1.3: A 55 SER OG : rot -83:sc= 1.41 USER MOD Set 2.1: A 29 SER OG : rot 164:sc= 0.731 USER MOD Set 2.2: A 36 HIS : no HE2:sc= 1.8 K(o=2.5,f=-10!) USER MOD Single : A 1 GLU N :NH3+ 171:sc= 2.49 (180deg=2.36) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0.0106 X(o=0.011,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0.854 K(o=0.85,f=-0.18) USER MOD Single : A 34 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.3) USER MOD Single : A 40 TYR OH : rot -40:sc= 0.622 USER MOD Single : A 46 ASN : amide:sc= -0.732 X(o=-0.73,f=-0.83) USER MOD Single : A 48 ASN : amide:sc= 2.05 K(o=2.1,f=-7.2!) USER MOD Single : A 49 ASN : amide:sc= -0.169 K(o=-0.17,f=-5.1!) USER MOD Single : A 65 HIS : no HE2:sc= 0.778 K(o=0.78,f=-4.8!) USER MOD Single : A 66 HIS : +bothHN:sc= 0.824 K(o=0.82,f=-9.5!) USER MOD Single : A 67 HIS : no HE2:sc= 0.836 K(o=0.84,f=-4.8!) USER MOD Single : A 68 HIS : +bothHN:sc= 0.607 K(o=0.61,f=-8.5!) USER MOD Single : A 69 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4.9!) USER MOD Single : A 70 HIS : no HE2:sc= 0.96 K(o=0.96,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -3.866 -7.671 3.474 1.00 1.00 N ATOM 2 CA GLU A 1 -3.970 -8.705 2.433 1.00 1.00 C ATOM 3 C GLU A 1 -5.263 -9.485 2.654 1.00 1.00 C ATOM 4 O GLU A 1 -5.725 -9.584 3.792 1.00 1.00 O ATOM 5 CB GLU A 1 -2.704 -9.575 2.441 1.00 1.00 C ATOM 6 CG GLU A 1 -2.598 -10.632 1.317 1.00 1.00 C ATOM 7 CD GLU A 1 -3.091 -12.032 1.709 1.00 1.00 C ATOM 8 OE1 GLU A 1 -3.795 -12.155 2.737 1.00 1.00 O ATOM 9 OE2 GLU A 1 -2.796 -13.016 0.989 1.00 1.00 O ATOM 0 H1 GLU A 1 -2.924 -7.231 3.434 1.00 1.00 H new ATOM 0 H2 GLU A 1 -4.594 -6.945 3.317 1.00 1.00 H new ATOM 0 H3 GLU A 1 -4.006 -8.104 4.409 1.00 1.00 H new ATOM 0 HA GLU A 1 -4.025 -8.269 1.435 1.00 1.00 H new ATOM 0 HB2 GLU A 1 -1.836 -8.919 2.378 1.00 1.00 H new ATOM 0 HB3 GLU A 1 -2.646 -10.088 3.401 1.00 1.00 H new ATOM 0 HG2 GLU A 1 -3.171 -10.287 0.456 1.00 1.00 H new ATOM 0 HG3 GLU A 1 -1.558 -10.703 1.000 1.00 1.00 H new ATOM 18 N ALA A 2 -5.877 -9.975 1.574 1.00 1.00 N ATOM 19 CA ALA A 2 -7.069 -10.814 1.561 1.00 1.00 C ATOM 20 C ALA A 2 -7.109 -11.552 0.215 1.00 1.00 C ATOM 21 O ALA A 2 -6.260 -11.303 -0.643 1.00 1.00 O ATOM 22 CB ALA A 2 -8.316 -9.927 1.712 1.00 1.00 C ATOM 0 H ALA A 2 -5.532 -9.783 0.633 1.00 1.00 H new ATOM 0 HA ALA A 2 -7.048 -11.531 2.382 1.00 1.00 H new ATOM 0 HB1 ALA A 2 -9.210 -10.551 1.703 1.00 1.00 H new ATOM 0 HB2 ALA A 2 -8.263 -9.383 2.655 1.00 1.00 H new ATOM 0 HB3 ALA A 2 -8.360 -9.218 0.886 1.00 1.00 H new ATOM 28 N GLU A 3 -8.089 -12.439 0.011 1.00 1.00 N ATOM 29 CA GLU A 3 -8.316 -13.102 -1.272 1.00 1.00 C ATOM 30 C GLU A 3 -9.737 -12.782 -1.736 1.00 1.00 C ATOM 31 O GLU A 3 -9.909 -12.058 -2.712 1.00 1.00 O ATOM 32 CB GLU A 3 -8.085 -14.620 -1.187 1.00 1.00 C ATOM 33 CG GLU A 3 -6.617 -15.057 -1.260 1.00 1.00 C ATOM 34 CD GLU A 3 -6.524 -16.584 -1.197 1.00 1.00 C ATOM 35 OE1 GLU A 3 -6.500 -17.155 -0.078 1.00 1.00 O ATOM 36 OE2 GLU A 3 -6.636 -17.272 -2.232 1.00 1.00 O ATOM 0 H GLU A 3 -8.749 -12.717 0.737 1.00 1.00 H new ATOM 0 HA GLU A 3 -7.595 -12.727 -1.999 1.00 1.00 H new ATOM 0 HB2 GLU A 3 -8.511 -14.985 -0.253 1.00 1.00 H new ATOM 0 HB3 GLU A 3 -8.633 -15.102 -1.997 1.00 1.00 H new ATOM 0 HG2 GLU A 3 -6.166 -14.694 -2.184 1.00 1.00 H new ATOM 0 HG3 GLU A 3 -6.056 -14.616 -0.437 1.00 1.00 H new ATOM 43 N ALA A 4 -10.751 -13.353 -1.077 1.00 1.00 N ATOM 44 CA ALA A 4 -12.165 -13.132 -1.390 1.00 1.00 C ATOM 45 C ALA A 4 -12.936 -12.458 -0.248 1.00 1.00 C ATOM 46 O ALA A 4 -14.113 -12.149 -0.402 1.00 1.00 O ATOM 47 CB ALA A 4 -12.803 -14.478 -1.757 1.00 1.00 C ATOM 0 H ALA A 4 -10.608 -13.994 -0.296 1.00 1.00 H new ATOM 0 HA ALA A 4 -12.220 -12.442 -2.232 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -13.857 -14.329 -1.993 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -12.293 -14.898 -2.624 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -12.713 -15.165 -0.915 1.00 1.00 H new ATOM 53 N GLU A 5 -12.286 -12.273 0.897 1.00 1.00 N ATOM 54 CA GLU A 5 -12.856 -11.783 2.142 1.00 1.00 C ATOM 55 C GLU A 5 -13.379 -10.355 2.019 1.00 1.00 C ATOM 56 O GLU A 5 -14.501 -10.076 2.438 1.00 1.00 O ATOM 57 CB GLU A 5 -11.790 -11.886 3.250 1.00 1.00 C ATOM 58 CG GLU A 5 -11.465 -13.323 3.700 1.00 1.00 C ATOM 59 CD GLU A 5 -11.111 -14.285 2.559 1.00 1.00 C ATOM 60 OE1 GLU A 5 -10.201 -13.993 1.740 1.00 1.00 O ATOM 61 OE2 GLU A 5 -11.788 -15.331 2.439 1.00 1.00 O ATOM 0 H GLU A 5 -11.290 -12.474 0.983 1.00 1.00 H new ATOM 0 HA GLU A 5 -13.717 -12.402 2.395 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -10.873 -11.414 2.898 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -12.129 -11.317 4.116 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -10.632 -13.290 4.402 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -12.322 -13.723 4.242 1.00 1.00 H new ATOM 68 N PHE A 6 -12.564 -9.437 1.495 1.00 1.00 N ATOM 69 CA PHE A 6 -12.908 -8.029 1.387 1.00 1.00 C ATOM 70 C PHE A 6 -11.989 -7.375 0.356 1.00 1.00 C ATOM 71 O PHE A 6 -10.955 -7.944 -0.001 1.00 1.00 O ATOM 72 CB PHE A 6 -12.736 -7.363 2.765 1.00 1.00 C ATOM 73 CG PHE A 6 -13.348 -5.981 2.862 1.00 1.00 C ATOM 74 CD1 PHE A 6 -14.747 -5.836 2.879 1.00 1.00 C ATOM 75 CD2 PHE A 6 -12.526 -4.840 2.914 1.00 1.00 C ATOM 76 CE1 PHE A 6 -15.323 -4.554 2.939 1.00 1.00 C ATOM 77 CE2 PHE A 6 -13.101 -3.560 2.966 1.00 1.00 C ATOM 78 CZ PHE A 6 -14.499 -3.415 2.980 1.00 1.00 C ATOM 0 H PHE A 6 -11.637 -9.659 1.131 1.00 1.00 H new ATOM 0 HA PHE A 6 -13.943 -7.911 1.066 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -13.186 -8.002 3.525 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -11.673 -7.295 2.994 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -15.380 -6.710 2.846 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -11.452 -4.949 2.914 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -16.397 -4.444 2.954 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -12.468 -2.685 2.995 1.00 1.00 H new ATOM 0 HZ PHE A 6 -14.940 -2.430 3.022 1.00 1.00 H new ATOM 88 N THR A 7 -12.353 -6.186 -0.128 1.00 1.00 N ATOM 89 CA THR A 7 -11.485 -5.415 -1.006 1.00 1.00 C ATOM 90 C THR A 7 -10.516 -4.673 -0.093 1.00 1.00 C ATOM 91 O THR A 7 -10.891 -3.685 0.538 1.00 1.00 O ATOM 92 CB THR A 7 -12.292 -4.453 -1.887 1.00 1.00 C ATOM 93 OG1 THR A 7 -13.191 -5.204 -2.681 1.00 1.00 O ATOM 94 CG2 THR A 7 -11.376 -3.639 -2.813 1.00 1.00 C ATOM 0 H THR A 7 -13.247 -5.739 0.077 1.00 1.00 H new ATOM 0 HA THR A 7 -10.947 -6.061 -1.700 1.00 1.00 H new ATOM 0 HB THR A 7 -12.829 -3.761 -1.238 1.00 1.00 H new ATOM 0 HG1 THR A 7 -13.713 -4.597 -3.247 1.00 1.00 H new ATOM 0 HG21 THR A 7 -11.980 -2.967 -3.423 1.00 1.00 H new ATOM 0 HG22 THR A 7 -10.678 -3.055 -2.213 1.00 1.00 H new ATOM 0 HG23 THR A 7 -10.819 -4.316 -3.461 1.00 1.00 H new ATOM 102 N ASP A 8 -9.295 -5.185 0.027 1.00 1.00 N ATOM 103 CA ASP A 8 -8.239 -4.502 0.762 1.00 1.00 C ATOM 104 C ASP A 8 -8.041 -3.113 0.135 1.00 1.00 C ATOM 105 O ASP A 8 -8.112 -2.978 -1.093 1.00 1.00 O ATOM 106 CB ASP A 8 -6.959 -5.344 0.700 1.00 1.00 C ATOM 107 CG ASP A 8 -5.914 -4.874 1.708 1.00 1.00 C ATOM 108 OD1 ASP A 8 -5.584 -3.668 1.700 1.00 1.00 O ATOM 109 OD2 ASP A 8 -5.457 -5.737 2.490 1.00 1.00 O ATOM 0 H ASP A 8 -9.012 -6.077 -0.379 1.00 1.00 H new ATOM 0 HA ASP A 8 -8.502 -4.376 1.812 1.00 1.00 H new ATOM 0 HB2 ASP A 8 -7.203 -6.389 0.892 1.00 1.00 H new ATOM 0 HB3 ASP A 8 -6.541 -5.294 -0.305 1.00 1.00 H new ATOM 114 N ALA A 9 -7.770 -2.083 0.947 1.00 1.00 N ATOM 115 CA ALA A 9 -7.445 -0.747 0.451 1.00 1.00 C ATOM 116 C ALA A 9 -6.310 -0.820 -0.564 1.00 1.00 C ATOM 117 O ALA A 9 -6.266 -0.006 -1.475 1.00 1.00 O ATOM 118 CB ALA A 9 -7.011 0.176 1.596 1.00 1.00 C ATOM 0 H ALA A 9 -7.771 -2.156 1.964 1.00 1.00 H new ATOM 0 HA ALA A 9 -8.343 -0.345 -0.018 1.00 1.00 H new ATOM 0 HB1 ALA A 9 -6.775 1.163 1.198 1.00 1.00 H new ATOM 0 HB2 ALA A 9 -7.820 0.261 2.322 1.00 1.00 H new ATOM 0 HB3 ALA A 9 -6.129 -0.239 2.083 1.00 1.00 H new ATOM 124 N CYS A 10 -5.401 -1.782 -0.434 1.00 1.00 N ATOM 125 CA CYS A 10 -4.234 -1.900 -1.285 1.00 1.00 C ATOM 126 C CYS A 10 -4.614 -2.134 -2.762 1.00 1.00 C ATOM 127 O CYS A 10 -3.828 -1.828 -3.657 1.00 1.00 O ATOM 128 CB CYS A 10 -3.331 -2.973 -0.669 1.00 1.00 C ATOM 129 SG CYS A 10 -3.622 -4.688 -1.148 1.00 1.00 S ATOM 0 H CYS A 10 -5.461 -2.510 0.278 1.00 1.00 H new ATOM 0 HA CYS A 10 -3.674 -0.966 -1.324 1.00 1.00 H new ATOM 0 HB2 CYS A 10 -2.299 -2.726 -0.917 1.00 1.00 H new ATOM 0 HB3 CYS A 10 -3.423 -2.907 0.415 1.00 1.00 H new ATOM 134 N VAL A 11 -5.827 -2.622 -3.048 1.00 1.00 N ATOM 135 CA VAL A 11 -6.350 -2.776 -4.405 1.00 1.00 C ATOM 136 C VAL A 11 -6.696 -1.399 -5.012 1.00 1.00 C ATOM 137 O VAL A 11 -6.576 -1.197 -6.222 1.00 1.00 O ATOM 138 CB VAL A 11 -7.582 -3.717 -4.356 1.00 1.00 C ATOM 139 CG1 VAL A 11 -8.154 -4.033 -5.746 1.00 1.00 C ATOM 140 CG2 VAL A 11 -7.248 -5.064 -3.686 1.00 1.00 C ATOM 0 H VAL A 11 -6.482 -2.926 -2.328 1.00 1.00 H new ATOM 0 HA VAL A 11 -5.595 -3.222 -5.052 1.00 1.00 H new ATOM 0 HB VAL A 11 -8.323 -3.168 -3.774 1.00 1.00 H new ATOM 0 HG11 VAL A 11 -9.014 -4.695 -5.644 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -8.465 -3.107 -6.231 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -7.390 -4.521 -6.352 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -8.138 -5.694 -3.672 1.00 1.00 H new ATOM 0 HG22 VAL A 11 -6.459 -5.564 -4.247 1.00 1.00 H new ATOM 0 HG23 VAL A 11 -6.911 -4.889 -2.664 1.00 1.00 H new ATOM 150 N LEU A 12 -7.137 -0.455 -4.179 1.00 1.00 N ATOM 151 CA LEU A 12 -7.557 0.900 -4.518 1.00 1.00 C ATOM 152 C LEU A 12 -6.382 1.807 -4.850 1.00 1.00 C ATOM 153 O LEU A 12 -5.436 1.881 -4.071 1.00 1.00 O ATOM 154 CB LEU A 12 -8.447 1.416 -3.385 1.00 1.00 C ATOM 155 CG LEU A 12 -8.670 2.914 -3.126 1.00 1.00 C ATOM 156 CD1 LEU A 12 -9.507 3.634 -4.192 1.00 1.00 C ATOM 157 CD2 LEU A 12 -9.393 2.999 -1.770 1.00 1.00 C ATOM 0 H LEU A 12 -7.214 -0.633 -3.178 1.00 1.00 H new ATOM 0 HA LEU A 12 -8.141 0.895 -5.438 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -9.433 0.976 -3.538 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -8.050 0.996 -2.461 1.00 1.00 H new ATOM 0 HG LEU A 12 -7.702 3.415 -3.146 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -9.611 4.685 -3.924 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -9.011 3.553 -5.159 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -10.494 3.175 -4.251 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -9.583 4.044 -1.524 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -10.340 2.462 -1.828 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -8.769 2.552 -0.996 1.00 1.00 H new ATOM 169 N PRO A 13 -6.419 2.500 -5.999 1.00 1.00 N ATOM 170 CA PRO A 13 -5.309 3.330 -6.432 1.00 1.00 C ATOM 171 C PRO A 13 -5.098 4.529 -5.502 1.00 1.00 C ATOM 172 O PRO A 13 -5.942 4.859 -4.667 1.00 1.00 O ATOM 173 CB PRO A 13 -5.609 3.725 -7.881 1.00 1.00 C ATOM 174 CG PRO A 13 -7.104 3.459 -8.079 1.00 1.00 C ATOM 175 CD PRO A 13 -7.495 2.479 -6.973 1.00 1.00 C ATOM 0 HA PRO A 13 -4.363 2.791 -6.385 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -5.370 4.774 -8.059 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -5.011 3.139 -8.579 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -7.680 4.382 -8.007 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -7.300 3.037 -9.065 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -8.439 2.771 -6.513 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -7.633 1.476 -7.376 1.00 1.00 H new ATOM 183 N ALA A 14 -3.939 5.169 -5.659 1.00 1.00 N ATOM 184 CA ALA A 14 -3.482 6.266 -4.819 1.00 1.00 C ATOM 185 C ALA A 14 -3.883 7.623 -5.415 1.00 1.00 C ATOM 186 O ALA A 14 -4.291 7.698 -6.574 1.00 1.00 O ATOM 187 CB ALA A 14 -1.965 6.147 -4.666 1.00 1.00 C ATOM 0 H ALA A 14 -3.277 4.928 -6.396 1.00 1.00 H new ATOM 0 HA ALA A 14 -3.954 6.207 -3.838 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -1.598 6.960 -4.039 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -1.720 5.192 -4.202 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -1.495 6.205 -5.648 1.00 1.00 H new ATOM 193 N VAL A 15 -3.738 8.700 -4.635 1.00 1.00 N ATOM 194 CA VAL A 15 -4.163 10.060 -4.967 1.00 1.00 C ATOM 195 C VAL A 15 -3.114 11.032 -4.404 1.00 1.00 C ATOM 196 O VAL A 15 -2.464 10.722 -3.405 1.00 1.00 O ATOM 197 CB VAL A 15 -5.570 10.294 -4.361 1.00 1.00 C ATOM 198 CG1 VAL A 15 -6.052 11.750 -4.414 1.00 1.00 C ATOM 199 CG2 VAL A 15 -6.646 9.419 -5.026 1.00 1.00 C ATOM 0 H VAL A 15 -3.302 8.642 -3.715 1.00 1.00 H new ATOM 0 HA VAL A 15 -4.234 10.220 -6.043 1.00 1.00 H new ATOM 0 HB VAL A 15 -5.441 10.015 -3.315 1.00 1.00 H new ATOM 0 HG11 VAL A 15 -7.044 11.821 -3.969 1.00 1.00 H new ATOM 0 HG12 VAL A 15 -5.359 12.383 -3.859 1.00 1.00 H new ATOM 0 HG13 VAL A 15 -6.095 12.081 -5.451 1.00 1.00 H new ATOM 0 HG21 VAL A 15 -7.614 9.620 -4.566 1.00 1.00 H new ATOM 0 HG22 VAL A 15 -6.695 9.649 -6.090 1.00 1.00 H new ATOM 0 HG23 VAL A 15 -6.393 8.367 -4.893 1.00 1.00 H new ATOM 209 N GLN A 16 -2.953 12.198 -5.041 1.00 1.00 N ATOM 210 CA GLN A 16 -2.021 13.259 -4.636 1.00 1.00 C ATOM 211 C GLN A 16 -2.655 14.311 -3.720 1.00 1.00 C ATOM 212 O GLN A 16 -1.946 14.903 -2.909 1.00 1.00 O ATOM 213 CB GLN A 16 -1.469 13.979 -5.882 1.00 1.00 C ATOM 214 CG GLN A 16 -0.323 13.198 -6.527 1.00 1.00 C ATOM 215 CD GLN A 16 0.171 13.838 -7.820 1.00 1.00 C ATOM 216 OE1 GLN A 16 -0.401 13.638 -8.883 1.00 1.00 O ATOM 217 NE2 GLN A 16 1.242 14.615 -7.776 1.00 1.00 N ATOM 0 H GLN A 16 -3.484 12.437 -5.878 1.00 1.00 H new ATOM 0 HA GLN A 16 -1.228 12.763 -4.077 1.00 1.00 H new ATOM 0 HB2 GLN A 16 -2.270 14.115 -6.608 1.00 1.00 H new ATOM 0 HB3 GLN A 16 -1.120 14.973 -5.603 1.00 1.00 H new ATOM 0 HG2 GLN A 16 0.505 13.127 -5.822 1.00 1.00 H new ATOM 0 HG3 GLN A 16 -0.653 12.180 -6.733 1.00 1.00 H new ATOM 0 HE21 GLN A 16 1.716 14.780 -6.888 1.00 1.00 H new ATOM 0 HE22 GLN A 16 1.593 15.049 -8.630 1.00 1.00 H new ATOM 226 N GLY A 17 -3.957 14.552 -3.867 1.00 1.00 N ATOM 227 CA GLY A 17 -4.672 15.607 -3.163 1.00 1.00 C ATOM 228 C GLY A 17 -4.475 16.963 -3.853 1.00 1.00 C ATOM 229 O GLY A 17 -3.766 17.066 -4.863 1.00 1.00 O ATOM 0 H GLY A 17 -4.552 14.007 -4.491 1.00 1.00 H new ATOM 0 HA2 GLY A 17 -5.734 15.367 -3.123 1.00 1.00 H new ATOM 0 HA3 GLY A 17 -4.320 15.665 -2.133 1.00 1.00 H new ATOM 233 N PRO A 18 -5.118 18.026 -3.344 1.00 1.00 N ATOM 234 CA PRO A 18 -5.079 19.348 -3.965 1.00 1.00 C ATOM 235 C PRO A 18 -3.719 20.047 -3.837 1.00 1.00 C ATOM 236 O PRO A 18 -3.436 20.973 -4.596 1.00 1.00 O ATOM 237 CB PRO A 18 -6.184 20.149 -3.267 1.00 1.00 C ATOM 238 CG PRO A 18 -6.299 19.487 -1.894 1.00 1.00 C ATOM 239 CD PRO A 18 -6.031 18.015 -2.207 1.00 1.00 C ATOM 0 HA PRO A 18 -5.234 19.266 -5.041 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -5.922 21.204 -3.182 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -7.124 20.097 -3.816 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -5.572 19.890 -1.188 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -7.286 19.634 -1.455 1.00 1.00 H new ATOM 0 HD2 PRO A 18 -5.588 17.505 -1.352 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -6.955 17.489 -2.449 1.00 1.00 H new ATOM 247 N CYS A 19 -2.853 19.634 -2.909 1.00 1.00 N ATOM 248 CA CYS A 19 -1.582 20.295 -2.640 1.00 1.00 C ATOM 249 C CYS A 19 -0.623 20.135 -3.813 1.00 1.00 C ATOM 250 O CYS A 19 -0.784 19.258 -4.660 1.00 1.00 O ATOM 251 CB CYS A 19 -0.914 19.719 -1.387 1.00 1.00 C ATOM 252 SG CYS A 19 -1.978 19.592 0.055 1.00 1.00 S ATOM 0 H CYS A 19 -3.021 18.820 -2.318 1.00 1.00 H new ATOM 0 HA CYS A 19 -1.801 21.352 -2.485 1.00 1.00 H new ATOM 0 HB2 CYS A 19 -0.529 18.727 -1.623 1.00 1.00 H new ATOM 0 HB3 CYS A 19 -0.056 20.342 -1.133 1.00 1.00 H new ATOM 257 N ARG A 20 0.392 20.999 -3.833 1.00 1.00 N ATOM 258 CA ARG A 20 1.519 20.981 -4.769 1.00 1.00 C ATOM 259 C ARG A 20 2.853 20.669 -4.081 1.00 1.00 C ATOM 260 O ARG A 20 3.903 20.722 -4.714 1.00 1.00 O ATOM 261 CB ARG A 20 1.598 22.266 -5.612 1.00 1.00 C ATOM 262 CG ARG A 20 0.702 22.391 -6.863 1.00 1.00 C ATOM 263 CD ARG A 20 -0.820 22.524 -6.701 1.00 1.00 C ATOM 264 NE ARG A 20 -1.511 21.230 -6.588 1.00 1.00 N ATOM 265 CZ ARG A 20 -1.745 20.289 -7.508 1.00 1.00 C ATOM 266 NH1 ARG A 20 -1.486 20.522 -8.796 1.00 1.00 N ATOM 267 NH2 ARG A 20 -2.237 19.114 -7.126 1.00 1.00 N ATOM 0 H ARG A 20 0.455 21.768 -3.165 1.00 1.00 H new ATOM 0 HA ARG A 20 1.325 20.159 -5.458 1.00 1.00 H new ATOM 0 HB2 ARG A 20 1.368 23.106 -4.956 1.00 1.00 H new ATOM 0 HB3 ARG A 20 2.632 22.387 -5.934 1.00 1.00 H new ATOM 0 HG2 ARG A 20 1.046 23.259 -7.424 1.00 1.00 H new ATOM 0 HG3 ARG A 20 0.888 21.515 -7.485 1.00 1.00 H new ATOM 0 HD2 ARG A 20 -1.033 23.120 -5.813 1.00 1.00 H new ATOM 0 HD3 ARG A 20 -1.223 23.069 -7.555 1.00 1.00 H new ATOM 0 HE ARG A 20 -1.869 21.016 -5.657 1.00 1.00 H new ATOM 0 HH11 ARG A 20 -1.107 21.424 -9.085 1.00 1.00 H new ATOM 0 HH12 ARG A 20 -1.667 19.798 -9.492 1.00 1.00 H new ATOM 0 HH21 ARG A 20 -2.432 18.939 -6.140 1.00 1.00 H new ATOM 0 HH22 ARG A 20 -2.420 18.388 -7.819 1.00 1.00 H new ATOM 281 N GLY A 21 2.819 20.390 -2.782 1.00 1.00 N ATOM 282 CA GLY A 21 3.999 19.932 -2.061 1.00 1.00 C ATOM 283 C GLY A 21 4.025 18.434 -2.361 1.00 1.00 C ATOM 284 O GLY A 21 2.953 17.846 -2.516 1.00 1.00 O ATOM 0 H GLY A 21 1.982 20.474 -2.205 1.00 1.00 H new ATOM 0 HA2 GLY A 21 4.904 20.429 -2.410 1.00 1.00 H new ATOM 0 HA3 GLY A 21 3.920 20.128 -0.992 1.00 1.00 H new ATOM 288 N TRP A 22 5.192 17.791 -2.335 1.00 1.00 N ATOM 289 CA TRP A 22 5.321 16.403 -2.749 1.00 1.00 C ATOM 290 C TRP A 22 5.972 15.579 -1.650 1.00 1.00 C ATOM 291 O TRP A 22 7.176 15.650 -1.419 1.00 1.00 O ATOM 292 CB TRP A 22 6.056 16.338 -4.091 1.00 1.00 C ATOM 293 CG TRP A 22 5.428 17.104 -5.232 1.00 1.00 C ATOM 294 CD1 TRP A 22 6.115 17.902 -6.078 1.00 1.00 C ATOM 295 CD2 TRP A 22 4.020 17.220 -5.647 1.00 1.00 C ATOM 296 NE1 TRP A 22 5.253 18.501 -6.970 1.00 1.00 N ATOM 297 CE2 TRP A 22 3.946 18.129 -6.746 1.00 1.00 C ATOM 298 CE3 TRP A 22 2.787 16.690 -5.200 1.00 1.00 C ATOM 299 CZ2 TRP A 22 2.731 18.492 -7.354 1.00 1.00 C ATOM 300 CZ3 TRP A 22 1.561 17.060 -5.781 1.00 1.00 C ATOM 301 CH2 TRP A 22 1.531 17.949 -6.867 1.00 1.00 C ATOM 0 H TRP A 22 6.066 18.218 -2.028 1.00 1.00 H new ATOM 0 HA TRP A 22 4.338 15.959 -2.907 1.00 1.00 H new ATOM 0 HB2 TRP A 22 7.070 16.711 -3.945 1.00 1.00 H new ATOM 0 HB3 TRP A 22 6.140 15.292 -4.386 1.00 1.00 H new ATOM 0 HD1 TRP A 22 7.185 18.049 -6.058 1.00 1.00 H new ATOM 0 HE1 TRP A 22 5.547 19.142 -7.707 1.00 1.00 H new ATOM 0 HE3 TRP A 22 2.787 15.979 -4.387 1.00 1.00 H new ATOM 0 HZ2 TRP A 22 2.721 19.181 -8.186 1.00 1.00 H new ATOM 0 HZ3 TRP A 22 0.638 16.658 -5.390 1.00 1.00 H new ATOM 0 HH2 TRP A 22 0.590 18.214 -7.326 1.00 1.00 H new ATOM 312 N GLU A 23 5.126 14.830 -0.963 1.00 1.00 N ATOM 313 CA GLU A 23 5.427 13.904 0.112 1.00 1.00 C ATOM 314 C GLU A 23 5.556 12.502 -0.526 1.00 1.00 C ATOM 315 O GLU A 23 4.569 12.011 -1.074 1.00 1.00 O ATOM 316 CB GLU A 23 4.261 14.037 1.119 1.00 1.00 C ATOM 317 CG GLU A 23 4.306 13.096 2.317 1.00 1.00 C ATOM 318 CD GLU A 23 5.491 13.313 3.256 1.00 1.00 C ATOM 319 OE1 GLU A 23 6.595 12.860 2.891 1.00 1.00 O ATOM 320 OE2 GLU A 23 5.253 13.635 4.439 1.00 1.00 O ATOM 0 H GLU A 23 4.126 14.858 -1.161 1.00 1.00 H new ATOM 0 HA GLU A 23 6.358 14.098 0.645 1.00 1.00 H new ATOM 0 HB2 GLU A 23 4.240 15.063 1.488 1.00 1.00 H new ATOM 0 HB3 GLU A 23 3.325 13.871 0.586 1.00 1.00 H new ATOM 0 HG2 GLU A 23 3.383 13.210 2.886 1.00 1.00 H new ATOM 0 HG3 GLU A 23 4.331 12.069 1.954 1.00 1.00 H new ATOM 327 N PRO A 24 6.730 11.843 -0.548 1.00 1.00 N ATOM 328 CA PRO A 24 6.875 10.477 -1.061 1.00 1.00 C ATOM 329 C PRO A 24 6.207 9.480 -0.113 1.00 1.00 C ATOM 330 O PRO A 24 6.514 9.401 1.080 1.00 1.00 O ATOM 331 CB PRO A 24 8.384 10.244 -1.171 1.00 1.00 C ATOM 332 CG PRO A 24 8.975 11.172 -0.111 1.00 1.00 C ATOM 333 CD PRO A 24 8.018 12.363 -0.116 1.00 1.00 C ATOM 0 HA PRO A 24 6.390 10.340 -2.028 1.00 1.00 H new ATOM 0 HB2 PRO A 24 8.643 9.203 -0.980 1.00 1.00 H new ATOM 0 HB3 PRO A 24 8.755 10.487 -2.167 1.00 1.00 H new ATOM 0 HG2 PRO A 24 9.015 10.692 0.867 1.00 1.00 H new ATOM 0 HG3 PRO A 24 9.993 11.472 -0.361 1.00 1.00 H new ATOM 0 HD2 PRO A 24 7.945 12.809 0.876 1.00 1.00 H new ATOM 0 HD3 PRO A 24 8.370 13.143 -0.791 1.00 1.00 H new ATOM 341 N ARG A 25 5.297 8.675 -0.651 1.00 1.00 N ATOM 342 CA ARG A 25 4.645 7.581 0.064 1.00 1.00 C ATOM 343 C ARG A 25 4.712 6.328 -0.791 1.00 1.00 C ATOM 344 O ARG A 25 5.340 6.338 -1.848 1.00 1.00 O ATOM 345 CB ARG A 25 3.217 8.001 0.459 1.00 1.00 C ATOM 346 CG ARG A 25 3.200 9.029 1.600 1.00 1.00 C ATOM 347 CD ARG A 25 3.700 8.417 2.917 1.00 1.00 C ATOM 348 NE ARG A 25 3.654 9.380 4.025 1.00 1.00 N ATOM 349 CZ ARG A 25 4.583 10.310 4.289 1.00 1.00 C ATOM 350 NH1 ARG A 25 5.725 10.359 3.605 1.00 1.00 N ATOM 351 NH2 ARG A 25 4.340 11.215 5.230 1.00 1.00 N ATOM 0 H ARG A 25 4.985 8.766 -1.618 1.00 1.00 H new ATOM 0 HA ARG A 25 5.157 7.350 0.998 1.00 1.00 H new ATOM 0 HB2 ARG A 25 2.711 8.420 -0.411 1.00 1.00 H new ATOM 0 HB3 ARG A 25 2.653 7.119 0.761 1.00 1.00 H new ATOM 0 HG2 ARG A 25 3.825 9.881 1.333 1.00 1.00 H new ATOM 0 HG3 ARG A 25 2.187 9.407 1.735 1.00 1.00 H new ATOM 0 HD2 ARG A 25 3.091 7.548 3.167 1.00 1.00 H new ATOM 0 HD3 ARG A 25 4.723 8.063 2.787 1.00 1.00 H new ATOM 0 HE ARG A 25 2.846 9.338 4.647 1.00 1.00 H new ATOM 0 HH11 ARG A 25 5.906 9.681 2.865 1.00 1.00 H new ATOM 0 HH12 ARG A 25 6.419 11.075 3.822 1.00 1.00 H new ATOM 0 HH21 ARG A 25 3.457 11.196 5.740 1.00 1.00 H new ATOM 0 HH22 ARG A 25 5.037 11.929 5.443 1.00 1.00 H new ATOM 365 N TRP A 26 4.130 5.231 -0.323 1.00 1.00 N ATOM 366 CA TRP A 26 4.135 3.940 -0.996 1.00 1.00 C ATOM 367 C TRP A 26 2.694 3.472 -1.153 1.00 1.00 C ATOM 368 O TRP A 26 1.887 3.727 -0.267 1.00 1.00 O ATOM 369 CB TRP A 26 4.994 2.974 -0.173 1.00 1.00 C ATOM 370 CG TRP A 26 6.464 3.173 -0.354 1.00 1.00 C ATOM 371 CD1 TRP A 26 7.226 4.135 0.215 1.00 1.00 C ATOM 372 CD2 TRP A 26 7.349 2.433 -1.234 1.00 1.00 C ATOM 373 NE1 TRP A 26 8.520 4.038 -0.257 1.00 1.00 N ATOM 374 CE2 TRP A 26 8.645 3.020 -1.181 1.00 1.00 C ATOM 375 CE3 TRP A 26 7.169 1.327 -2.085 1.00 1.00 C ATOM 376 CZ2 TRP A 26 9.713 2.530 -1.949 1.00 1.00 C ATOM 377 CZ3 TRP A 26 8.194 0.912 -2.945 1.00 1.00 C ATOM 378 CH2 TRP A 26 9.476 1.469 -2.840 1.00 1.00 C ATOM 0 H TRP A 26 3.626 5.216 0.564 1.00 1.00 H new ATOM 0 HA TRP A 26 4.568 3.997 -1.995 1.00 1.00 H new ATOM 0 HB2 TRP A 26 4.748 3.092 0.882 1.00 1.00 H new ATOM 0 HB3 TRP A 26 4.738 1.951 -0.448 1.00 1.00 H new ATOM 0 HD1 TRP A 26 6.876 4.866 0.929 1.00 1.00 H new ATOM 0 HE1 TRP A 26 9.287 4.642 0.040 1.00 1.00 H new ATOM 0 HE3 TRP A 26 6.231 0.792 -2.075 1.00 1.00 H new ATOM 0 HZ2 TRP A 26 10.699 2.961 -1.857 1.00 1.00 H new ATOM 0 HZ3 TRP A 26 7.995 0.159 -3.693 1.00 1.00 H new ATOM 0 HH2 TRP A 26 10.283 1.082 -3.445 1.00 1.00 H new ATOM 389 N ALA A 27 2.352 2.818 -2.263 1.00 1.00 N ATOM 390 CA ALA A 27 1.026 2.245 -2.471 1.00 1.00 C ATOM 391 C ALA A 27 1.166 0.927 -3.216 1.00 1.00 C ATOM 392 O ALA A 27 2.040 0.798 -4.085 1.00 1.00 O ATOM 393 CB ALA A 27 0.131 3.206 -3.263 1.00 1.00 C ATOM 0 H ALA A 27 2.990 2.671 -3.045 1.00 1.00 H new ATOM 0 HA ALA A 27 0.558 2.074 -1.502 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -0.851 2.755 -3.404 1.00 1.00 H new ATOM 0 HB2 ALA A 27 0.025 4.141 -2.713 1.00 1.00 H new ATOM 0 HB3 ALA A 27 0.582 3.405 -4.235 1.00 1.00 H new ATOM 399 N TYR A 28 0.300 -0.031 -2.892 1.00 1.00 N ATOM 400 CA TYR A 28 0.221 -1.301 -3.592 1.00 1.00 C ATOM 401 C TYR A 28 -0.524 -1.109 -4.900 1.00 1.00 C ATOM 402 O TYR A 28 -1.429 -0.282 -5.015 1.00 1.00 O ATOM 403 CB TYR A 28 -0.503 -2.350 -2.755 1.00 1.00 C ATOM 404 CG TYR A 28 -0.464 -3.754 -3.345 1.00 1.00 C ATOM 405 CD1 TYR A 28 0.600 -4.624 -3.042 1.00 1.00 C ATOM 406 CD2 TYR A 28 -1.509 -4.212 -4.172 1.00 1.00 C ATOM 407 CE1 TYR A 28 0.616 -5.937 -3.544 1.00 1.00 C ATOM 408 CE2 TYR A 28 -1.503 -5.525 -4.673 1.00 1.00 C ATOM 409 CZ TYR A 28 -0.441 -6.398 -4.354 1.00 1.00 C ATOM 410 OH TYR A 28 -0.452 -7.681 -4.803 1.00 1.00 O ATOM 0 H TYR A 28 -0.371 0.058 -2.129 1.00 1.00 H new ATOM 0 HA TYR A 28 1.236 -1.650 -3.780 1.00 1.00 H new ATOM 0 HB2 TYR A 28 -0.060 -2.374 -1.759 1.00 1.00 H new ATOM 0 HB3 TYR A 28 -1.543 -2.048 -2.634 1.00 1.00 H new ATOM 0 HD1 TYR A 28 1.412 -4.280 -2.418 1.00 1.00 H new ATOM 0 HD2 TYR A 28 -2.322 -3.548 -4.423 1.00 1.00 H new ATOM 0 HE1 TYR A 28 1.440 -6.594 -3.308 1.00 1.00 H new ATOM 0 HE2 TYR A 28 -2.312 -5.866 -5.302 1.00 1.00 H new ATOM 0 HH TYR A 28 -1.253 -7.830 -5.347 1.00 1.00 H new ATOM 420 N SER A 29 -0.018 -1.717 -5.958 1.00 1.00 N ATOM 421 CA SER A 29 -0.659 -1.767 -7.249 1.00 1.00 C ATOM 422 C SER A 29 -0.964 -3.222 -7.580 1.00 1.00 C ATOM 423 O SER A 29 0.001 -3.953 -7.814 1.00 1.00 O ATOM 424 CB SER A 29 0.248 -1.022 -8.208 1.00 1.00 C ATOM 425 OG SER A 29 -0.018 0.342 -7.933 1.00 1.00 O ATOM 0 H SER A 29 0.878 -2.203 -5.936 1.00 1.00 H new ATOM 0 HA SER A 29 -1.629 -1.273 -7.301 1.00 1.00 H new ATOM 0 HB2 SER A 29 1.297 -1.267 -8.039 1.00 1.00 H new ATOM 0 HB3 SER A 29 0.025 -1.272 -9.245 1.00 1.00 H new ATOM 0 HG SER A 29 0.696 0.897 -8.310 1.00 1.00 H new ATOM 431 N PRO A 30 -2.237 -3.650 -7.671 1.00 1.00 N ATOM 432 CA PRO A 30 -2.557 -5.002 -8.115 1.00 1.00 C ATOM 433 C PRO A 30 -2.175 -5.182 -9.587 1.00 1.00 C ATOM 434 O PRO A 30 -1.714 -6.247 -9.974 1.00 1.00 O ATOM 435 CB PRO A 30 -4.058 -5.178 -7.879 1.00 1.00 C ATOM 436 CG PRO A 30 -4.609 -3.753 -7.894 1.00 1.00 C ATOM 437 CD PRO A 30 -3.455 -2.912 -7.352 1.00 1.00 C ATOM 0 HA PRO A 30 -1.998 -5.760 -7.566 1.00 1.00 H new ATOM 0 HB2 PRO A 30 -4.515 -5.790 -8.657 1.00 1.00 H new ATOM 0 HB3 PRO A 30 -4.256 -5.672 -6.928 1.00 1.00 H new ATOM 0 HG2 PRO A 30 -4.892 -3.444 -8.900 1.00 1.00 H new ATOM 0 HG3 PRO A 30 -5.498 -3.661 -7.271 1.00 1.00 H new ATOM 0 HD2 PRO A 30 -3.444 -1.923 -7.810 1.00 1.00 H new ATOM 0 HD3 PRO A 30 -3.551 -2.764 -6.276 1.00 1.00 H new ATOM 445 N LEU A 31 -2.269 -4.116 -10.390 1.00 1.00 N ATOM 446 CA LEU A 31 -1.838 -4.075 -11.784 1.00 1.00 C ATOM 447 C LEU A 31 -0.322 -4.255 -11.937 1.00 1.00 C ATOM 448 O LEU A 31 0.151 -4.498 -13.040 1.00 1.00 O ATOM 449 CB LEU A 31 -2.260 -2.745 -12.427 1.00 1.00 C ATOM 450 CG LEU A 31 -3.787 -2.540 -12.520 1.00 1.00 C ATOM 451 CD1 LEU A 31 -4.282 -1.577 -11.431 1.00 1.00 C ATOM 452 CD2 LEU A 31 -4.182 -1.984 -13.890 1.00 1.00 C ATOM 0 H LEU A 31 -2.661 -3.230 -10.072 1.00 1.00 H new ATOM 0 HA LEU A 31 -2.323 -4.910 -12.290 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -1.830 -1.925 -11.853 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -1.836 -2.689 -13.430 1.00 1.00 H new ATOM 0 HG LEU A 31 -4.252 -3.515 -12.377 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -5.361 -1.451 -11.520 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -4.044 -1.985 -10.449 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -3.793 -0.610 -11.550 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -5.263 -1.849 -13.930 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -3.690 -1.024 -14.049 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -3.875 -2.682 -14.668 1.00 1.00 H new ATOM 464 N LEU A 32 0.440 -4.102 -10.851 1.00 1.00 N ATOM 465 CA LEU A 32 1.879 -4.352 -10.777 1.00 1.00 C ATOM 466 C LEU A 32 2.175 -5.540 -9.857 1.00 1.00 C ATOM 467 O LEU A 32 3.331 -5.916 -9.691 1.00 1.00 O ATOM 468 CB LEU A 32 2.554 -3.082 -10.257 1.00 1.00 C ATOM 469 CG LEU A 32 2.722 -2.000 -11.342 1.00 1.00 C ATOM 470 CD1 LEU A 32 3.065 -0.652 -10.698 1.00 1.00 C ATOM 471 CD2 LEU A 32 3.826 -2.361 -12.345 1.00 1.00 C ATOM 0 H LEU A 32 0.053 -3.787 -9.962 1.00 1.00 H new ATOM 0 HA LEU A 32 2.267 -4.602 -11.765 1.00 1.00 H new ATOM 0 HB2 LEU A 32 1.965 -2.675 -9.435 1.00 1.00 H new ATOM 0 HB3 LEU A 32 3.533 -3.338 -9.852 1.00 1.00 H new ATOM 0 HG LEU A 32 1.774 -1.934 -11.876 1.00 1.00 H new ATOM 0 HD11 LEU A 32 3.181 0.103 -11.475 1.00 1.00 H new ATOM 0 HD12 LEU A 32 2.262 -0.357 -10.022 1.00 1.00 H new ATOM 0 HD13 LEU A 32 3.996 -0.743 -10.138 1.00 1.00 H new ATOM 0 HD21 LEU A 32 3.911 -1.572 -13.092 1.00 1.00 H new ATOM 0 HD22 LEU A 32 4.775 -2.467 -11.819 1.00 1.00 H new ATOM 0 HD23 LEU A 32 3.577 -3.301 -12.837 1.00 1.00 H new ATOM 483 N GLN A 33 1.133 -6.088 -9.229 1.00 1.00 N ATOM 484 CA GLN A 33 1.116 -7.136 -8.233 1.00 1.00 C ATOM 485 C GLN A 33 2.029 -6.815 -7.033 1.00 1.00 C ATOM 486 O GLN A 33 2.475 -7.735 -6.343 1.00 1.00 O ATOM 487 CB GLN A 33 1.395 -8.470 -8.954 1.00 1.00 C ATOM 488 CG GLN A 33 0.908 -9.680 -8.149 1.00 1.00 C ATOM 489 CD GLN A 33 2.011 -10.710 -7.902 1.00 1.00 C ATOM 490 OE1 GLN A 33 1.933 -11.849 -8.344 1.00 1.00 O ATOM 491 NE2 GLN A 33 3.056 -10.342 -7.181 1.00 1.00 N ATOM 0 H GLN A 33 0.187 -5.768 -9.435 1.00 1.00 H new ATOM 0 HA GLN A 33 0.137 -7.221 -7.761 1.00 1.00 H new ATOM 0 HB2 GLN A 33 0.905 -8.463 -9.928 1.00 1.00 H new ATOM 0 HB3 GLN A 33 2.465 -8.565 -9.136 1.00 1.00 H new ATOM 0 HG2 GLN A 33 0.514 -9.339 -7.191 1.00 1.00 H new ATOM 0 HG3 GLN A 33 0.084 -10.157 -8.681 1.00 1.00 H new ATOM 0 HE21 GLN A 33 3.114 -9.391 -6.816 1.00 1.00 H new ATOM 0 HE22 GLN A 33 3.804 -11.009 -6.990 1.00 1.00 H new ATOM 500 N GLN A 34 2.344 -5.536 -6.774 1.00 1.00 N ATOM 501 CA GLN A 34 3.301 -5.175 -5.727 1.00 1.00 C ATOM 502 C GLN A 34 3.220 -3.674 -5.428 1.00 1.00 C ATOM 503 O GLN A 34 2.589 -2.904 -6.161 1.00 1.00 O ATOM 504 CB GLN A 34 4.731 -5.562 -6.174 1.00 1.00 C ATOM 505 CG GLN A 34 5.717 -5.720 -5.007 1.00 1.00 C ATOM 506 CD GLN A 34 7.047 -6.299 -5.475 1.00 1.00 C ATOM 507 OE1 GLN A 34 7.771 -5.681 -6.253 1.00 1.00 O ATOM 508 NE2 GLN A 34 7.473 -7.420 -4.920 1.00 1.00 N ATOM 0 H GLN A 34 1.949 -4.740 -7.276 1.00 1.00 H new ATOM 0 HA GLN A 34 3.056 -5.719 -4.815 1.00 1.00 H new ATOM 0 HB2 GLN A 34 4.688 -6.497 -6.732 1.00 1.00 H new ATOM 0 HB3 GLN A 34 5.108 -4.801 -6.857 1.00 1.00 H new ATOM 0 HG2 GLN A 34 5.886 -4.751 -4.538 1.00 1.00 H new ATOM 0 HG3 GLN A 34 5.283 -6.370 -4.248 1.00 1.00 H new ATOM 0 HE21 GLN A 34 6.870 -7.931 -4.275 1.00 1.00 H new ATOM 0 HE22 GLN A 34 8.405 -7.774 -5.137 1.00 1.00 H new ATOM 517 N CYS A 35 3.896 -3.238 -4.363 1.00 1.00 N ATOM 518 CA CYS A 35 3.998 -1.838 -3.989 1.00 1.00 C ATOM 519 C CYS A 35 5.102 -1.096 -4.719 1.00 1.00 C ATOM 520 O CYS A 35 6.199 -1.612 -4.947 1.00 1.00 O ATOM 521 CB CYS A 35 4.243 -1.691 -2.494 1.00 1.00 C ATOM 522 SG CYS A 35 2.856 -2.192 -1.467 1.00 1.00 S ATOM 0 H CYS A 35 4.394 -3.864 -3.730 1.00 1.00 H new ATOM 0 HA CYS A 35 3.043 -1.397 -4.273 1.00 1.00 H new ATOM 0 HB2 CYS A 35 5.116 -2.284 -2.220 1.00 1.00 H new ATOM 0 HB3 CYS A 35 4.484 -0.650 -2.277 1.00 1.00 H new ATOM 527 N HIS A 36 4.829 0.182 -4.967 1.00 1.00 N ATOM 528 CA HIS A 36 5.765 1.141 -5.551 1.00 1.00 C ATOM 529 C HIS A 36 5.685 2.477 -4.794 1.00 1.00 C ATOM 530 O HIS A 36 4.645 2.746 -4.184 1.00 1.00 O ATOM 531 CB HIS A 36 5.455 1.302 -7.053 1.00 1.00 C ATOM 532 CG HIS A 36 4.102 1.908 -7.347 1.00 1.00 C ATOM 533 ND1 HIS A 36 3.775 3.251 -7.242 1.00 1.00 N ATOM 534 CD2 HIS A 36 2.973 1.230 -7.717 1.00 1.00 C ATOM 535 CE1 HIS A 36 2.465 3.385 -7.512 1.00 1.00 C ATOM 536 NE2 HIS A 36 1.973 2.173 -7.826 1.00 1.00 N ATOM 0 H HIS A 36 3.919 0.594 -4.760 1.00 1.00 H new ATOM 0 HA HIS A 36 6.788 0.778 -5.457 1.00 1.00 H new ATOM 0 HB2 HIS A 36 6.226 1.925 -7.506 1.00 1.00 H new ATOM 0 HB3 HIS A 36 5.514 0.324 -7.531 1.00 1.00 H new ATOM 0 HD1 HIS A 36 4.417 4.006 -7.002 1.00 1.00 H new ATOM 0 HD2 HIS A 36 2.883 0.168 -7.889 1.00 1.00 H new ATOM 0 HE1 HIS A 36 1.904 4.307 -7.482 1.00 1.00 H new ATOM 545 N PRO A 37 6.729 3.327 -4.832 1.00 1.00 N ATOM 546 CA PRO A 37 6.655 4.662 -4.250 1.00 1.00 C ATOM 547 C PRO A 37 5.706 5.517 -5.097 1.00 1.00 C ATOM 548 O PRO A 37 5.442 5.173 -6.255 1.00 1.00 O ATOM 549 CB PRO A 37 8.075 5.234 -4.265 1.00 1.00 C ATOM 550 CG PRO A 37 8.929 4.233 -5.049 1.00 1.00 C ATOM 551 CD PRO A 37 7.980 3.146 -5.547 1.00 1.00 C ATOM 0 HA PRO A 37 6.274 4.645 -3.229 1.00 1.00 H new ATOM 0 HB2 PRO A 37 8.094 6.216 -4.737 1.00 1.00 H new ATOM 0 HB3 PRO A 37 8.455 5.360 -3.251 1.00 1.00 H new ATOM 0 HG2 PRO A 37 9.430 4.722 -5.884 1.00 1.00 H new ATOM 0 HG3 PRO A 37 9.707 3.807 -4.415 1.00 1.00 H new ATOM 0 HD2 PRO A 37 7.827 3.229 -6.623 1.00 1.00 H new ATOM 0 HD3 PRO A 37 8.394 2.155 -5.359 1.00 1.00 H new ATOM 559 N PHE A 38 5.202 6.636 -4.581 1.00 1.00 N ATOM 560 CA PHE A 38 4.362 7.542 -5.346 1.00 1.00 C ATOM 561 C PHE A 38 4.451 8.931 -4.730 1.00 1.00 C ATOM 562 O PHE A 38 4.911 9.086 -3.596 1.00 1.00 O ATOM 563 CB PHE A 38 2.910 7.023 -5.434 1.00 1.00 C ATOM 564 CG PHE A 38 2.031 7.223 -4.211 1.00 1.00 C ATOM 565 CD1 PHE A 38 2.163 6.402 -3.076 1.00 1.00 C ATOM 566 CD2 PHE A 38 1.038 8.218 -4.225 1.00 1.00 C ATOM 567 CE1 PHE A 38 1.309 6.585 -1.972 1.00 1.00 C ATOM 568 CE2 PHE A 38 0.210 8.419 -3.110 1.00 1.00 C ATOM 569 CZ PHE A 38 0.338 7.596 -1.982 1.00 1.00 C ATOM 0 H PHE A 38 5.367 6.936 -3.620 1.00 1.00 H new ATOM 0 HA PHE A 38 4.719 7.597 -6.374 1.00 1.00 H new ATOM 0 HB2 PHE A 38 2.427 7.509 -6.282 1.00 1.00 H new ATOM 0 HB3 PHE A 38 2.944 5.956 -5.656 1.00 1.00 H new ATOM 0 HD1 PHE A 38 2.919 5.632 -3.052 1.00 1.00 H new ATOM 0 HD2 PHE A 38 0.911 8.834 -5.103 1.00 1.00 H new ATOM 0 HE1 PHE A 38 1.403 5.941 -1.110 1.00 1.00 H new ATOM 0 HE2 PHE A 38 -0.527 9.209 -3.121 1.00 1.00 H new ATOM 0 HZ PHE A 38 -0.307 7.740 -1.127 1.00 1.00 H new ATOM 579 N VAL A 39 4.031 9.932 -5.497 1.00 1.00 N ATOM 580 CA VAL A 39 3.941 11.303 -5.041 1.00 1.00 C ATOM 581 C VAL A 39 2.580 11.457 -4.375 1.00 1.00 C ATOM 582 O VAL A 39 1.557 11.164 -4.992 1.00 1.00 O ATOM 583 CB VAL A 39 4.122 12.266 -6.234 1.00 1.00 C ATOM 584 CG1 VAL A 39 3.947 13.716 -5.785 1.00 1.00 C ATOM 585 CG2 VAL A 39 5.520 12.103 -6.856 1.00 1.00 C ATOM 0 H VAL A 39 3.741 9.805 -6.467 1.00 1.00 H new ATOM 0 HA VAL A 39 4.726 11.547 -4.326 1.00 1.00 H new ATOM 0 HB VAL A 39 3.363 12.020 -6.977 1.00 1.00 H new ATOM 0 HG11 VAL A 39 4.078 14.380 -6.640 1.00 1.00 H new ATOM 0 HG12 VAL A 39 2.948 13.851 -5.371 1.00 1.00 H new ATOM 0 HG13 VAL A 39 4.690 13.953 -5.024 1.00 1.00 H new ATOM 0 HG21 VAL A 39 5.627 12.790 -7.695 1.00 1.00 H new ATOM 0 HG22 VAL A 39 6.280 12.324 -6.106 1.00 1.00 H new ATOM 0 HG23 VAL A 39 5.645 11.079 -7.208 1.00 1.00 H new ATOM 595 N TYR A 40 2.579 11.915 -3.134 1.00 1.00 N ATOM 596 CA TYR A 40 1.425 12.268 -2.326 1.00 1.00 C ATOM 597 C TYR A 40 1.615 13.742 -1.917 1.00 1.00 C ATOM 598 O TYR A 40 2.646 14.332 -2.252 1.00 1.00 O ATOM 599 CB TYR A 40 1.357 11.251 -1.179 1.00 1.00 C ATOM 600 CG TYR A 40 0.428 11.586 -0.047 1.00 1.00 C ATOM 601 CD1 TYR A 40 -0.960 11.663 -0.256 1.00 1.00 C ATOM 602 CD2 TYR A 40 0.973 11.854 1.217 1.00 1.00 C ATOM 603 CE1 TYR A 40 -1.802 12.000 0.814 1.00 1.00 C ATOM 604 CE2 TYR A 40 0.137 12.174 2.290 1.00 1.00 C ATOM 605 CZ TYR A 40 -1.262 12.240 2.094 1.00 1.00 C ATOM 606 OH TYR A 40 -2.076 12.552 3.130 1.00 1.00 O ATOM 0 H TYR A 40 3.452 12.060 -2.627 1.00 1.00 H new ATOM 0 HA TYR A 40 0.460 12.212 -2.830 1.00 1.00 H new ATOM 0 HB2 TYR A 40 1.059 10.288 -1.593 1.00 1.00 H new ATOM 0 HB3 TYR A 40 2.361 11.126 -0.772 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -1.375 11.464 -1.233 1.00 1.00 H new ATOM 0 HD2 TYR A 40 2.042 11.813 1.362 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -2.868 12.076 0.657 1.00 1.00 H new ATOM 0 HE2 TYR A 40 0.558 12.370 3.265 1.00 1.00 H new ATOM 0 HH TYR A 40 -2.780 13.161 2.822 1.00 1.00 H new ATOM 616 N GLY A 41 0.648 14.370 -1.239 1.00 1.00 N ATOM 617 CA GLY A 41 0.701 15.802 -0.935 1.00 1.00 C ATOM 618 C GLY A 41 0.374 16.191 0.505 1.00 1.00 C ATOM 619 O GLY A 41 0.280 17.382 0.785 1.00 1.00 O ATOM 0 H GLY A 41 -0.188 13.902 -0.888 1.00 1.00 H new ATOM 0 HA2 GLY A 41 1.700 16.167 -1.171 1.00 1.00 H new ATOM 0 HA3 GLY A 41 0.007 16.320 -1.597 1.00 1.00 H new ATOM 623 N GLY A 42 0.177 15.240 1.422 1.00 1.00 N ATOM 624 CA GLY A 42 -0.161 15.506 2.826 1.00 1.00 C ATOM 625 C GLY A 42 -1.658 15.736 3.030 1.00 1.00 C ATOM 626 O GLY A 42 -2.213 15.313 4.039 1.00 1.00 O ATOM 0 H GLY A 42 0.249 14.245 1.207 1.00 1.00 H new ATOM 0 HA2 GLY A 42 0.162 14.666 3.440 1.00 1.00 H new ATOM 0 HA3 GLY A 42 0.389 16.382 3.170 1.00 1.00 H new ATOM 630 N CYS A 43 -2.303 16.419 2.090 1.00 1.00 N ATOM 631 CA CYS A 43 -3.747 16.620 2.028 1.00 1.00 C ATOM 632 C CYS A 43 -4.413 15.313 1.554 1.00 1.00 C ATOM 633 O CYS A 43 -3.772 14.258 1.530 1.00 1.00 O ATOM 634 CB CYS A 43 -4.062 17.818 1.136 1.00 1.00 C ATOM 635 SG CYS A 43 -3.047 17.921 -0.344 1.00 1.00 S ATOM 0 H CYS A 43 -1.812 16.867 1.316 1.00 1.00 H new ATOM 0 HA CYS A 43 -4.154 16.853 3.012 1.00 1.00 H new ATOM 0 HB2 CYS A 43 -5.110 17.772 0.842 1.00 1.00 H new ATOM 0 HB3 CYS A 43 -3.934 18.732 1.716 1.00 1.00 H new ATOM 640 N GLU A 44 -5.722 15.362 1.303 1.00 1.00 N ATOM 641 CA GLU A 44 -6.603 14.262 0.915 1.00 1.00 C ATOM 642 C GLU A 44 -5.924 13.208 0.028 1.00 1.00 C ATOM 643 O GLU A 44 -5.293 13.514 -0.986 1.00 1.00 O ATOM 644 CB GLU A 44 -7.833 14.796 0.163 1.00 1.00 C ATOM 645 CG GLU A 44 -8.675 15.795 0.965 1.00 1.00 C ATOM 646 CD GLU A 44 -8.181 17.225 0.740 1.00 1.00 C ATOM 647 OE1 GLU A 44 -8.584 17.827 -0.277 1.00 1.00 O ATOM 648 OE2 GLU A 44 -7.319 17.663 1.534 1.00 1.00 O ATOM 0 H GLU A 44 -6.233 16.242 1.372 1.00 1.00 H new ATOM 0 HA GLU A 44 -6.889 13.780 1.850 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -7.502 15.275 -0.759 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -8.463 13.954 -0.124 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -9.721 15.716 0.669 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -8.625 15.551 2.026 1.00 1.00 H new ATOM 655 N GLY A 45 -6.137 11.941 0.370 1.00 1.00 N ATOM 656 CA GLY A 45 -5.705 10.782 -0.382 1.00 1.00 C ATOM 657 C GLY A 45 -6.431 9.560 0.174 1.00 1.00 C ATOM 658 O GLY A 45 -7.168 9.681 1.156 1.00 1.00 O ATOM 0 H GLY A 45 -6.640 11.689 1.221 1.00 1.00 H new ATOM 0 HA2 GLY A 45 -5.930 10.910 -1.441 1.00 1.00 H new ATOM 0 HA3 GLY A 45 -4.626 10.654 -0.299 1.00 1.00 H new ATOM 662 N ASN A 46 -6.229 8.387 -0.432 1.00 1.00 N ATOM 663 CA ASN A 46 -6.955 7.188 -0.010 1.00 1.00 C ATOM 664 C ASN A 46 -6.112 6.423 1.007 1.00 1.00 C ATOM 665 O ASN A 46 -4.965 6.769 1.285 1.00 1.00 O ATOM 666 CB ASN A 46 -7.329 6.251 -1.176 1.00 1.00 C ATOM 667 CG ASN A 46 -8.037 6.931 -2.345 1.00 1.00 C ATOM 668 OD1 ASN A 46 -8.630 7.990 -2.206 1.00 1.00 O ATOM 669 ND2 ASN A 46 -8.009 6.342 -3.525 1.00 1.00 N ATOM 0 H ASN A 46 -5.579 8.243 -1.205 1.00 1.00 H new ATOM 0 HA ASN A 46 -7.893 7.525 0.431 1.00 1.00 H new ATOM 0 HB2 ASN A 46 -6.421 5.776 -1.547 1.00 1.00 H new ATOM 0 HB3 ASN A 46 -7.971 5.457 -0.794 1.00 1.00 H new ATOM 0 HD21 ASN A 46 -8.482 6.771 -4.320 1.00 1.00 H new ATOM 0 HD22 ASN A 46 -7.514 5.458 -3.642 1.00 1.00 H new ATOM 676 N GLY A 47 -6.677 5.328 1.513 1.00 1.00 N ATOM 677 CA GLY A 47 -6.089 4.529 2.585 1.00 1.00 C ATOM 678 C GLY A 47 -4.900 3.686 2.129 1.00 1.00 C ATOM 679 O GLY A 47 -4.156 3.183 2.964 1.00 1.00 O ATOM 0 H GLY A 47 -7.572 4.966 1.183 1.00 1.00 H new ATOM 0 HA2 GLY A 47 -5.768 5.192 3.389 1.00 1.00 H new ATOM 0 HA3 GLY A 47 -6.853 3.872 3.000 1.00 1.00 H new ATOM 683 N ASN A 48 -4.713 3.518 0.817 1.00 1.00 N ATOM 684 CA ASN A 48 -3.552 2.847 0.245 1.00 1.00 C ATOM 685 C ASN A 48 -2.402 3.847 0.232 1.00 1.00 C ATOM 686 O ASN A 48 -2.067 4.426 -0.804 1.00 1.00 O ATOM 687 CB ASN A 48 -3.900 2.327 -1.151 1.00 1.00 C ATOM 688 CG ASN A 48 -2.783 1.519 -1.809 1.00 1.00 C ATOM 689 OD1 ASN A 48 -1.755 1.200 -1.222 1.00 1.00 O ATOM 690 ND2 ASN A 48 -2.991 1.116 -3.046 1.00 1.00 N ATOM 0 H ASN A 48 -5.375 3.850 0.116 1.00 1.00 H new ATOM 0 HA ASN A 48 -3.252 1.981 0.835 1.00 1.00 H new ATOM 0 HB2 ASN A 48 -4.793 1.706 -1.084 1.00 1.00 H new ATOM 0 HB3 ASN A 48 -4.148 3.173 -1.791 1.00 1.00 H new ATOM 0 HD21 ASN A 48 -2.296 0.537 -3.517 1.00 1.00 H new ATOM 0 HD22 ASN A 48 -3.847 1.383 -3.532 1.00 1.00 H new ATOM 697 N ASN A 49 -1.873 4.126 1.421 1.00 1.00 N ATOM 698 CA ASN A 49 -0.822 5.097 1.652 1.00 1.00 C ATOM 699 C ASN A 49 0.063 4.504 2.739 1.00 1.00 C ATOM 700 O ASN A 49 -0.351 4.367 3.891 1.00 1.00 O ATOM 701 CB ASN A 49 -1.469 6.425 2.086 1.00 1.00 C ATOM 702 CG ASN A 49 -0.470 7.570 2.201 1.00 1.00 C ATOM 703 OD1 ASN A 49 0.659 7.405 2.642 1.00 1.00 O ATOM 704 ND2 ASN A 49 -0.867 8.766 1.794 1.00 1.00 N ATOM 0 H ASN A 49 -2.180 3.662 2.276 1.00 1.00 H new ATOM 0 HA ASN A 49 -0.224 5.306 0.765 1.00 1.00 H new ATOM 0 HB2 ASN A 49 -2.242 6.697 1.368 1.00 1.00 H new ATOM 0 HB3 ASN A 49 -1.963 6.284 3.048 1.00 1.00 H new ATOM 0 HD21 ASN A 49 -0.229 9.560 1.847 1.00 1.00 H new ATOM 0 HD22 ASN A 49 -1.811 8.893 1.428 1.00 1.00 H new ATOM 711 N PHE A 50 1.294 4.171 2.373 1.00 1.00 N ATOM 712 CA PHE A 50 2.258 3.482 3.206 1.00 1.00 C ATOM 713 C PHE A 50 3.460 4.375 3.402 1.00 1.00 C ATOM 714 O PHE A 50 3.761 5.272 2.611 1.00 1.00 O ATOM 715 CB PHE A 50 2.578 2.097 2.627 1.00 1.00 C ATOM 716 CG PHE A 50 1.355 1.208 2.748 1.00 1.00 C ATOM 717 CD1 PHE A 50 1.057 0.611 3.987 1.00 1.00 C ATOM 718 CD2 PHE A 50 0.427 1.113 1.692 1.00 1.00 C ATOM 719 CE1 PHE A 50 -0.173 -0.042 4.178 1.00 1.00 C ATOM 720 CE2 PHE A 50 -0.784 0.422 1.876 1.00 1.00 C ATOM 721 CZ PHE A 50 -1.095 -0.140 3.122 1.00 1.00 C ATOM 0 H PHE A 50 1.659 4.386 1.445 1.00 1.00 H new ATOM 0 HA PHE A 50 1.850 3.284 4.197 1.00 1.00 H new ATOM 0 HB2 PHE A 50 2.874 2.187 1.582 1.00 1.00 H new ATOM 0 HB3 PHE A 50 3.419 1.653 3.160 1.00 1.00 H new ATOM 0 HD1 PHE A 50 1.775 0.655 4.793 1.00 1.00 H new ATOM 0 HD2 PHE A 50 0.646 1.572 0.739 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -0.411 -0.470 5.141 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -1.477 0.324 1.054 1.00 1.00 H new ATOM 0 HZ PHE A 50 -2.038 -0.645 3.270 1.00 1.00 H new ATOM 731 N HIS A 51 4.221 4.034 4.428 1.00 1.00 N ATOM 732 CA HIS A 51 5.340 4.829 4.897 1.00 1.00 C ATOM 733 C HIS A 51 6.645 4.384 4.263 1.00 1.00 C ATOM 734 O HIS A 51 7.623 5.123 4.279 1.00 1.00 O ATOM 735 CB HIS A 51 5.517 4.494 6.392 1.00 1.00 C ATOM 736 CG HIS A 51 4.230 4.299 7.164 1.00 1.00 C ATOM 737 ND1 HIS A 51 3.722 3.055 7.502 1.00 1.00 N ATOM 738 CD2 HIS A 51 3.299 5.248 7.491 1.00 1.00 C ATOM 739 CE1 HIS A 51 2.500 3.244 8.033 1.00 1.00 C ATOM 740 NE2 HIS A 51 2.223 4.568 8.040 1.00 1.00 N ATOM 0 H HIS A 51 4.075 3.181 4.967 1.00 1.00 H new ATOM 0 HA HIS A 51 5.139 5.876 4.671 1.00 1.00 H new ATOM 0 HB2 HIS A 51 6.114 3.586 6.476 1.00 1.00 H new ATOM 0 HB3 HIS A 51 6.087 5.295 6.863 1.00 1.00 H new ATOM 0 HD1 HIS A 51 4.190 2.158 7.372 1.00 1.00 H new ATOM 0 HD2 HIS A 51 3.386 6.315 7.349 1.00 1.00 H new ATOM 0 HE1 HIS A 51 1.846 2.464 8.395 1.00 1.00 H new ATOM 749 N SER A 52 6.646 3.192 3.685 1.00 1.00 N ATOM 750 CA SER A 52 7.848 2.568 3.174 1.00 1.00 C ATOM 751 C SER A 52 7.471 1.400 2.279 1.00 1.00 C ATOM 752 O SER A 52 6.305 1.005 2.206 1.00 1.00 O ATOM 753 CB SER A 52 8.619 2.040 4.410 1.00 1.00 C ATOM 754 OG SER A 52 7.686 1.501 5.338 1.00 1.00 O ATOM 0 H SER A 52 5.804 2.630 3.559 1.00 1.00 H new ATOM 0 HA SER A 52 8.448 3.269 2.594 1.00 1.00 H new ATOM 0 HB2 SER A 52 9.336 1.276 4.109 1.00 1.00 H new ATOM 0 HB3 SER A 52 9.188 2.847 4.872 1.00 1.00 H new ATOM 0 HG SER A 52 8.169 1.075 6.077 1.00 1.00 H new ATOM 760 N ARG A 53 8.481 0.840 1.614 1.00 1.00 N ATOM 761 CA ARG A 53 8.329 -0.374 0.825 1.00 1.00 C ATOM 762 C ARG A 53 7.894 -1.496 1.765 1.00 1.00 C ATOM 763 O ARG A 53 6.930 -2.188 1.470 1.00 1.00 O ATOM 764 CB ARG A 53 9.646 -0.683 0.114 1.00 1.00 C ATOM 765 CG ARG A 53 9.598 -1.992 -0.671 1.00 1.00 C ATOM 766 CD ARG A 53 8.535 -2.108 -1.772 1.00 1.00 C ATOM 767 NE ARG A 53 8.539 -3.491 -2.247 1.00 1.00 N ATOM 768 CZ ARG A 53 8.690 -4.011 -3.466 1.00 1.00 C ATOM 769 NH1 ARG A 53 8.416 -3.341 -4.582 1.00 1.00 N ATOM 770 NH2 ARG A 53 9.108 -5.262 -3.543 1.00 1.00 N ATOM 0 H ARG A 53 9.428 1.219 1.610 1.00 1.00 H new ATOM 0 HA ARG A 53 7.569 -0.259 0.052 1.00 1.00 H new ATOM 0 HB2 ARG A 53 9.888 0.135 -0.565 1.00 1.00 H new ATOM 0 HB3 ARG A 53 10.448 -0.735 0.850 1.00 1.00 H new ATOM 0 HG2 ARG A 53 10.576 -2.149 -1.127 1.00 1.00 H new ATOM 0 HG3 ARG A 53 9.442 -2.806 0.037 1.00 1.00 H new ATOM 0 HD2 ARG A 53 7.552 -1.839 -1.385 1.00 1.00 H new ATOM 0 HD3 ARG A 53 8.754 -1.422 -2.590 1.00 1.00 H new ATOM 0 HE ARG A 53 8.401 -4.185 -1.512 1.00 1.00 H new ATOM 0 HH11 ARG A 53 8.073 -2.382 -4.530 1.00 1.00 H new ATOM 0 HH12 ARG A 53 8.549 -3.786 -5.490 1.00 1.00 H new ATOM 0 HH21 ARG A 53 9.301 -5.789 -2.691 1.00 1.00 H new ATOM 0 HH22 ARG A 53 9.238 -5.701 -4.454 1.00 1.00 H new ATOM 784 N GLU A 54 8.608 -1.604 2.886 1.00 1.00 N ATOM 785 CA GLU A 54 8.414 -2.513 4.006 1.00 1.00 C ATOM 786 C GLU A 54 6.966 -2.528 4.475 1.00 1.00 C ATOM 787 O GLU A 54 6.277 -3.501 4.201 1.00 1.00 O ATOM 788 CB GLU A 54 9.402 -1.993 5.069 1.00 1.00 C ATOM 789 CG GLU A 54 9.197 -2.334 6.555 1.00 1.00 C ATOM 790 CD GLU A 54 9.131 -1.012 7.331 1.00 1.00 C ATOM 791 OE1 GLU A 54 8.162 -0.256 7.069 1.00 1.00 O ATOM 792 OE2 GLU A 54 10.111 -0.656 8.009 1.00 1.00 O ATOM 0 H GLU A 54 9.413 -0.997 3.043 1.00 1.00 H new ATOM 0 HA GLU A 54 8.608 -3.556 3.756 1.00 1.00 H new ATOM 0 HB2 GLU A 54 10.393 -2.351 4.790 1.00 1.00 H new ATOM 0 HB3 GLU A 54 9.421 -0.906 4.987 1.00 1.00 H new ATOM 0 HG2 GLU A 54 8.279 -2.905 6.693 1.00 1.00 H new ATOM 0 HG3 GLU A 54 10.016 -2.953 6.922 1.00 1.00 H new ATOM 799 N SER A 55 6.469 -1.424 5.034 1.00 1.00 N ATOM 800 CA SER A 55 5.100 -1.371 5.562 1.00 1.00 C ATOM 801 C SER A 55 4.039 -1.719 4.507 1.00 1.00 C ATOM 802 O SER A 55 2.957 -2.197 4.831 1.00 1.00 O ATOM 803 CB SER A 55 4.803 -0.089 6.352 1.00 1.00 C ATOM 804 OG SER A 55 5.049 1.134 5.667 1.00 1.00 O ATOM 0 H SER A 55 6.991 -0.554 5.134 1.00 1.00 H new ATOM 0 HA SER A 55 5.033 -2.168 6.302 1.00 1.00 H new ATOM 0 HB2 SER A 55 3.757 -0.108 6.658 1.00 1.00 H new ATOM 0 HB3 SER A 55 5.402 -0.100 7.263 1.00 1.00 H new ATOM 0 HG SER A 55 6.000 1.361 5.735 1.00 1.00 H new ATOM 810 N CYS A 56 4.293 -1.368 3.249 1.00 1.00 N ATOM 811 CA CYS A 56 3.381 -1.651 2.158 1.00 1.00 C ATOM 812 C CYS A 56 3.341 -3.123 1.787 1.00 1.00 C ATOM 813 O CYS A 56 2.256 -3.660 1.594 1.00 1.00 O ATOM 814 CB CYS A 56 3.843 -0.826 0.960 1.00 1.00 C ATOM 815 SG CYS A 56 2.603 -0.546 -0.316 1.00 1.00 S ATOM 0 H CYS A 56 5.141 -0.878 2.963 1.00 1.00 H new ATOM 0 HA CYS A 56 2.369 -1.390 2.467 1.00 1.00 H new ATOM 0 HB2 CYS A 56 4.192 0.141 1.321 1.00 1.00 H new ATOM 0 HB3 CYS A 56 4.699 -1.325 0.506 1.00 1.00 H new ATOM 820 N GLU A 57 4.501 -3.755 1.625 1.00 1.00 N ATOM 821 CA GLU A 57 4.541 -5.201 1.394 1.00 1.00 C ATOM 822 C GLU A 57 4.014 -5.947 2.619 1.00 1.00 C ATOM 823 O GLU A 57 3.418 -7.002 2.456 1.00 1.00 O ATOM 824 CB GLU A 57 5.905 -5.708 0.903 1.00 1.00 C ATOM 825 CG GLU A 57 6.029 -5.442 -0.606 1.00 1.00 C ATOM 826 CD GLU A 57 7.187 -6.194 -1.263 1.00 1.00 C ATOM 827 OE1 GLU A 57 8.359 -5.870 -0.959 1.00 1.00 O ATOM 828 OE2 GLU A 57 6.953 -6.926 -2.251 1.00 1.00 O ATOM 0 H GLU A 57 5.413 -3.300 1.648 1.00 1.00 H new ATOM 0 HA GLU A 57 3.871 -5.420 0.563 1.00 1.00 H new ATOM 0 HB2 GLU A 57 6.709 -5.205 1.441 1.00 1.00 H new ATOM 0 HB3 GLU A 57 6.005 -6.774 1.106 1.00 1.00 H new ATOM 0 HG2 GLU A 57 5.097 -5.726 -1.095 1.00 1.00 H new ATOM 0 HG3 GLU A 57 6.161 -4.372 -0.769 1.00 1.00 H new ATOM 835 N ASP A 58 4.239 -5.430 3.827 1.00 1.00 N ATOM 836 CA ASP A 58 3.667 -5.975 5.057 1.00 1.00 C ATOM 837 C ASP A 58 2.137 -5.935 4.956 1.00 1.00 C ATOM 838 O ASP A 58 1.482 -6.949 5.205 1.00 1.00 O ATOM 839 CB ASP A 58 4.182 -5.176 6.260 1.00 1.00 C ATOM 840 CG ASP A 58 3.434 -5.485 7.558 1.00 1.00 C ATOM 841 OD1 ASP A 58 3.699 -6.562 8.134 1.00 1.00 O ATOM 842 OD2 ASP A 58 2.670 -4.594 8.000 1.00 1.00 O ATOM 0 H ASP A 58 4.830 -4.613 3.980 1.00 1.00 H new ATOM 0 HA ASP A 58 3.972 -7.012 5.195 1.00 1.00 H new ATOM 0 HB2 ASP A 58 5.242 -5.388 6.401 1.00 1.00 H new ATOM 0 HB3 ASP A 58 4.095 -4.111 6.044 1.00 1.00 H new ATOM 847 N ALA A 59 1.551 -4.817 4.486 1.00 1.00 N ATOM 848 CA ALA A 59 0.106 -4.762 4.308 1.00 1.00 C ATOM 849 C ALA A 59 -0.369 -5.681 3.176 1.00 1.00 C ATOM 850 O ALA A 59 -1.375 -6.381 3.333 1.00 1.00 O ATOM 851 CB ALA A 59 -0.325 -3.320 4.053 1.00 1.00 C ATOM 0 H ALA A 59 2.050 -3.965 4.231 1.00 1.00 H new ATOM 0 HA ALA A 59 -0.362 -5.122 5.224 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -1.406 -3.281 3.920 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -0.042 -2.700 4.903 1.00 1.00 H new ATOM 0 HB3 ALA A 59 0.165 -2.948 3.153 1.00 1.00 H new ATOM 857 N CYS A 60 0.306 -5.647 2.022 1.00 1.00 N ATOM 858 CA CYS A 60 -0.019 -6.418 0.840 1.00 1.00 C ATOM 859 C CYS A 60 1.203 -7.034 0.143 1.00 1.00 C ATOM 860 O CYS A 60 1.804 -6.413 -0.739 1.00 1.00 O ATOM 861 CB CYS A 60 -0.900 -5.626 -0.124 1.00 1.00 C ATOM 862 SG CYS A 60 -2.651 -5.656 0.349 1.00 1.00 S ATOM 0 H CYS A 60 1.126 -5.054 1.891 1.00 1.00 H new ATOM 0 HA CYS A 60 -0.600 -7.270 1.192 1.00 1.00 H new ATOM 0 HB2 CYS A 60 -0.555 -4.593 -0.161 1.00 1.00 H new ATOM 0 HB3 CYS A 60 -0.792 -6.034 -1.129 1.00 1.00 H new ATOM 867 N PRO A 61 1.584 -8.249 0.556 1.00 1.00 N ATOM 868 CA PRO A 61 2.605 -9.091 -0.038 1.00 1.00 C ATOM 869 C PRO A 61 1.884 -9.774 -1.207 1.00 1.00 C ATOM 870 O PRO A 61 0.849 -9.320 -1.713 1.00 1.00 O ATOM 871 CB PRO A 61 3.067 -10.041 1.075 1.00 1.00 C ATOM 872 CG PRO A 61 1.789 -10.277 1.866 1.00 1.00 C ATOM 873 CD PRO A 61 1.065 -8.939 1.740 1.00 1.00 C ATOM 0 HA PRO A 61 3.498 -8.596 -0.419 1.00 1.00 H new ATOM 0 HB2 PRO A 61 3.471 -10.970 0.673 1.00 1.00 H new ATOM 0 HB3 PRO A 61 3.847 -9.594 1.691 1.00 1.00 H new ATOM 0 HG2 PRO A 61 1.201 -11.096 1.451 1.00 1.00 H new ATOM 0 HG3 PRO A 61 1.997 -10.529 2.906 1.00 1.00 H new ATOM 0 HD2 PRO A 61 -0.010 -9.095 1.649 1.00 1.00 H new ATOM 0 HD3 PRO A 61 1.224 -8.335 2.633 1.00 1.00 H new ATOM 881 N VAL A 62 2.476 -10.852 -1.691 1.00 1.00 N ATOM 882 CA VAL A 62 1.795 -11.657 -2.699 1.00 1.00 C ATOM 883 C VAL A 62 1.079 -12.689 -1.813 1.00 1.00 C ATOM 884 O VAL A 62 1.459 -12.926 -0.662 1.00 1.00 O ATOM 885 CB VAL A 62 2.745 -12.359 -3.683 1.00 1.00 C ATOM 886 CG1 VAL A 62 1.998 -12.734 -4.971 1.00 1.00 C ATOM 887 CG2 VAL A 62 3.989 -11.522 -4.031 1.00 1.00 C ATOM 0 H VAL A 62 3.399 -11.186 -1.415 1.00 1.00 H new ATOM 0 HA VAL A 62 1.154 -11.061 -3.348 1.00 1.00 H new ATOM 0 HB VAL A 62 3.097 -13.258 -3.178 1.00 1.00 H new ATOM 0 HG11 VAL A 62 2.684 -13.230 -5.658 1.00 1.00 H new ATOM 0 HG12 VAL A 62 1.174 -13.407 -4.731 1.00 1.00 H new ATOM 0 HG13 VAL A 62 1.605 -11.832 -5.439 1.00 1.00 H new ATOM 0 HG21 VAL A 62 4.617 -12.076 -4.729 1.00 1.00 H new ATOM 0 HG22 VAL A 62 3.679 -10.582 -4.488 1.00 1.00 H new ATOM 0 HG23 VAL A 62 4.554 -11.314 -3.122 1.00 1.00 H new ATOM 897 N VAL A 63 0.022 -13.268 -2.374 1.00 1.00 N ATOM 898 CA VAL A 63 -0.898 -14.160 -1.678 1.00 1.00 C ATOM 899 C VAL A 63 -0.175 -15.148 -0.769 1.00 1.00 C ATOM 900 O VAL A 63 0.704 -15.906 -1.192 1.00 1.00 O ATOM 901 CB VAL A 63 -1.890 -14.874 -2.600 1.00 1.00 C ATOM 902 CG1 VAL A 63 -3.124 -15.360 -1.826 1.00 1.00 C ATOM 903 CG2 VAL A 63 -2.341 -14.039 -3.811 1.00 1.00 C ATOM 0 H VAL A 63 -0.225 -13.125 -3.353 1.00 1.00 H new ATOM 0 HA VAL A 63 -1.496 -13.503 -1.046 1.00 1.00 H new ATOM 0 HB VAL A 63 -1.337 -15.727 -2.993 1.00 1.00 H new ATOM 0 HG11 VAL A 63 -3.808 -15.862 -2.510 1.00 1.00 H new ATOM 0 HG12 VAL A 63 -2.814 -16.056 -1.047 1.00 1.00 H new ATOM 0 HG13 VAL A 63 -3.627 -14.507 -1.371 1.00 1.00 H new ATOM 0 HG21 VAL A 63 -3.042 -14.618 -4.412 1.00 1.00 H new ATOM 0 HG22 VAL A 63 -2.828 -13.128 -3.464 1.00 1.00 H new ATOM 0 HG23 VAL A 63 -1.473 -13.779 -4.417 1.00 1.00 H new ATOM 913 N ASP A 64 -0.624 -15.113 0.473 1.00 1.00 N ATOM 914 CA ASP A 64 -0.112 -15.822 1.636 1.00 1.00 C ATOM 915 C ASP A 64 -0.291 -17.340 1.477 1.00 1.00 C ATOM 916 O ASP A 64 -0.838 -17.841 0.494 1.00 1.00 O ATOM 917 CB ASP A 64 -0.855 -15.276 2.877 1.00 1.00 C ATOM 918 CG ASP A 64 -0.603 -16.099 4.143 1.00 1.00 C ATOM 919 OD1 ASP A 64 0.564 -16.174 4.584 1.00 1.00 O ATOM 920 OD2 ASP A 64 -1.477 -16.921 4.501 1.00 1.00 O ATOM 0 H ASP A 64 -1.429 -14.536 0.717 1.00 1.00 H new ATOM 0 HA ASP A 64 0.959 -15.656 1.749 1.00 1.00 H new ATOM 0 HB2 ASP A 64 -0.545 -14.246 3.054 1.00 1.00 H new ATOM 0 HB3 ASP A 64 -1.925 -15.256 2.672 1.00 1.00 H new ATOM 925 N HIS A 65 0.195 -18.115 2.447 1.00 1.00 N ATOM 926 CA HIS A 65 0.013 -19.550 2.564 1.00 1.00 C ATOM 927 C HIS A 65 -1.476 -19.894 2.386 1.00 1.00 C ATOM 928 O HIS A 65 -1.785 -20.925 1.786 1.00 1.00 O ATOM 929 CB HIS A 65 0.530 -20.006 3.941 1.00 1.00 C ATOM 930 CG HIS A 65 1.896 -19.467 4.321 1.00 1.00 C ATOM 931 ND1 HIS A 65 2.132 -18.260 4.957 1.00 1.00 N ATOM 932 CD2 HIS A 65 3.109 -20.043 4.052 1.00 1.00 C ATOM 933 CE1 HIS A 65 3.461 -18.093 5.054 1.00 1.00 C ATOM 934 NE2 HIS A 65 4.078 -19.171 4.525 1.00 1.00 N ATOM 0 H HIS A 65 0.755 -17.732 3.209 1.00 1.00 H new ATOM 0 HA HIS A 65 0.576 -20.071 1.789 1.00 1.00 H new ATOM 0 HB2 HIS A 65 -0.189 -19.702 4.702 1.00 1.00 H new ATOM 0 HB3 HIS A 65 0.568 -21.095 3.956 1.00 1.00 H new ATOM 0 HD1 HIS A 65 1.421 -17.611 5.293 1.00 1.00 H new ATOM 0 HD2 HIS A 65 3.278 -20.992 3.566 1.00 1.00 H new ATOM 0 HE1 HIS A 65 3.956 -17.235 5.485 1.00 1.00 H new ATOM 943 N HIS A 66 -2.410 -19.073 2.895 1.00 1.00 N ATOM 944 CA HIS A 66 -3.835 -19.275 2.639 1.00 1.00 C ATOM 945 C HIS A 66 -4.063 -19.118 1.132 1.00 1.00 C ATOM 946 O HIS A 66 -3.661 -18.117 0.550 1.00 1.00 O ATOM 947 CB HIS A 66 -4.715 -18.331 3.496 1.00 1.00 C ATOM 948 CG HIS A 66 -4.667 -16.841 3.204 1.00 1.00 C ATOM 949 ND1 HIS A 66 -5.097 -16.222 2.041 1.00 1.00 N ATOM 950 CD2 HIS A 66 -4.218 -15.862 4.053 1.00 1.00 C ATOM 951 CE1 HIS A 66 -4.866 -14.908 2.163 1.00 1.00 C ATOM 952 NE2 HIS A 66 -4.358 -14.663 3.378 1.00 1.00 N ATOM 0 H HIS A 66 -2.199 -18.267 3.484 1.00 1.00 H new ATOM 0 HA HIS A 66 -4.139 -20.277 2.940 1.00 1.00 H new ATOM 0 HB2 HIS A 66 -5.750 -18.657 3.393 1.00 1.00 H new ATOM 0 HB3 HIS A 66 -4.438 -18.474 4.540 1.00 1.00 H new ATOM 0 HD1 HIS A 66 -5.516 -16.685 1.234 1.00 1.00 H new ATOM 0 HD2 HIS A 66 -3.831 -16.000 5.052 1.00 1.00 H new ATOM 0 HE1 HIS A 66 -5.059 -14.165 1.403 1.00 1.00 H new ATOM 0 HE2 HIS A 66 -4.114 -13.743 3.745 1.00 1.00 H new ATOM 961 N HIS A 67 -4.649 -20.107 0.459 1.00 1.00 N ATOM 962 CA HIS A 67 -5.031 -20.011 -0.950 1.00 1.00 C ATOM 963 C HIS A 67 -6.428 -20.602 -1.041 1.00 1.00 C ATOM 964 O HIS A 67 -6.630 -21.755 -0.640 1.00 1.00 O ATOM 965 CB HIS A 67 -4.047 -20.739 -1.885 1.00 1.00 C ATOM 966 CG HIS A 67 -2.855 -19.922 -2.349 1.00 1.00 C ATOM 967 ND1 HIS A 67 -2.183 -18.944 -1.637 1.00 1.00 N ATOM 968 CD2 HIS A 67 -2.242 -20.033 -3.571 1.00 1.00 C ATOM 969 CE1 HIS A 67 -1.168 -18.498 -2.395 1.00 1.00 C ATOM 970 NE2 HIS A 67 -1.191 -19.131 -3.584 1.00 1.00 N ATOM 0 H HIS A 67 -4.875 -21.008 0.881 1.00 1.00 H new ATOM 0 HA HIS A 67 -5.009 -18.973 -1.282 1.00 1.00 H new ATOM 0 HB2 HIS A 67 -3.678 -21.628 -1.373 1.00 1.00 H new ATOM 0 HB3 HIS A 67 -4.594 -21.081 -2.763 1.00 1.00 H new ATOM 0 HD1 HIS A 67 -2.418 -18.618 -0.699 1.00 1.00 H new ATOM 0 HD2 HIS A 67 -2.526 -20.699 -4.373 1.00 1.00 H new ATOM 0 HE1 HIS A 67 -0.447 -17.750 -2.098 1.00 1.00 H new ATOM 979 N HIS A 68 -7.404 -19.826 -1.504 1.00 1.00 N ATOM 980 CA HIS A 68 -8.755 -20.313 -1.748 1.00 1.00 C ATOM 981 C HIS A 68 -8.702 -21.344 -2.873 1.00 1.00 C ATOM 982 O HIS A 68 -7.776 -21.369 -3.683 1.00 1.00 O ATOM 983 CB HIS A 68 -9.700 -19.144 -2.084 1.00 1.00 C ATOM 984 CG HIS A 68 -10.052 -18.299 -0.880 1.00 1.00 C ATOM 985 ND1 HIS A 68 -9.140 -17.733 -0.007 1.00 1.00 N ATOM 986 CD2 HIS A 68 -11.308 -17.908 -0.490 1.00 1.00 C ATOM 987 CE1 HIS A 68 -9.822 -17.005 0.887 1.00 1.00 C ATOM 988 NE2 HIS A 68 -11.132 -17.104 0.621 1.00 1.00 N ATOM 0 H HIS A 68 -7.278 -18.837 -1.721 1.00 1.00 H new ATOM 0 HA HIS A 68 -9.152 -20.789 -0.851 1.00 1.00 H new ATOM 0 HB2 HIS A 68 -9.232 -18.512 -2.839 1.00 1.00 H new ATOM 0 HB3 HIS A 68 -10.616 -19.540 -2.523 1.00 1.00 H new ATOM 0 HD1 HIS A 68 -8.127 -17.850 -0.039 1.00 1.00 H new ATOM 0 HD2 HIS A 68 -12.245 -18.174 -0.957 1.00 1.00 H new ATOM 0 HE1 HIS A 68 -9.387 -16.431 1.692 1.00 1.00 H new ATOM 0 HE2 HIS A 68 -11.879 -16.658 1.153 1.00 1.00 H new ATOM 997 N HIS A 69 -9.703 -22.214 -2.922 1.00 1.00 N ATOM 998 CA HIS A 69 -9.916 -23.214 -3.962 1.00 1.00 C ATOM 999 C HIS A 69 -11.372 -23.662 -3.848 1.00 1.00 C ATOM 1000 O HIS A 69 -12.018 -23.330 -2.852 1.00 1.00 O ATOM 1001 CB HIS A 69 -8.958 -24.406 -3.754 1.00 1.00 C ATOM 1002 CG HIS A 69 -9.060 -25.060 -2.392 1.00 1.00 C ATOM 1003 ND1 HIS A 69 -9.985 -26.023 -2.028 1.00 1.00 N ATOM 1004 CD2 HIS A 69 -8.278 -24.788 -1.301 1.00 1.00 C ATOM 1005 CE1 HIS A 69 -9.776 -26.325 -0.735 1.00 1.00 C ATOM 1006 NE2 HIS A 69 -8.740 -25.593 -0.273 1.00 1.00 N ATOM 0 H HIS A 69 -10.425 -22.243 -2.202 1.00 1.00 H new ATOM 0 HA HIS A 69 -9.716 -22.806 -4.953 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -9.159 -25.156 -4.519 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -7.934 -24.064 -3.904 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -10.698 -26.431 -2.633 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -7.461 -24.084 -1.252 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -10.345 -27.039 -0.158 1.00 1.00 H new ATOM 1015 N HIS A 70 -11.888 -24.363 -4.859 1.00 1.00 N ATOM 1016 CA HIS A 70 -13.220 -24.951 -4.755 1.00 1.00 C ATOM 1017 C HIS A 70 -13.073 -26.104 -3.763 1.00 1.00 C ATOM 1018 O HIS A 70 -11.962 -26.679 -3.708 1.00 1.00 O ATOM 1019 CB HIS A 70 -13.730 -25.442 -6.123 1.00 1.00 C ATOM 1020 CG HIS A 70 -15.176 -25.906 -6.125 1.00 1.00 C ATOM 1021 ND1 HIS A 70 -15.863 -26.427 -5.045 1.00 1.00 N ATOM 1022 CD2 HIS A 70 -16.025 -25.903 -7.199 1.00 1.00 C ATOM 1023 CE1 HIS A 70 -17.111 -26.730 -5.446 1.00 1.00 C ATOM 1024 NE2 HIS A 70 -17.234 -26.420 -6.756 1.00 1.00 N ATOM 1025 OXT HIS A 70 -14.075 -26.419 -3.096 1.00 1.00 O ATOM 0 H HIS A 70 -11.412 -24.534 -5.744 1.00 1.00 H new ATOM 0 HA HIS A 70 -13.957 -24.222 -4.418 1.00 1.00 H new ATOM 0 HB2 HIS A 70 -13.619 -24.636 -6.849 1.00 1.00 H new ATOM 0 HB3 HIS A 70 -13.097 -26.263 -6.459 1.00 1.00 H new ATOM 0 HD1 HIS A 70 -15.488 -26.559 -4.106 1.00 1.00 H new ATOM 0 HD2 HIS A 70 -15.797 -25.564 -8.199 1.00 1.00 H new ATOM 0 HE1 HIS A 70 -17.887 -27.151 -4.824 1.00 1.00 H new TER 1034 HIS A 70