USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 420 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 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 170:sc= -1.06 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc=-0.00554 X(o=-0.0055,f=-0.16) USER MOD Single : A 20 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0152) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -131:sc= 0.144 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0854 USER MOD Single : A 28 GLN : amide:sc= -0.0424 K(o=-0.042,f=-1.4!) USER MOD Single : A 33 SER OG : rot 65:sc= 0.293 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -73:sc=0.000776 USER MOD Single : A 38 LYS NZ :NH3+ -131:sc= 0.0688 (180deg=-0.197) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 81:sc= 0.0865 USER MOD Single : A 59 GLN : amide:sc=-0.000106 X(o=-0.00011,f=-0.018) USER MOD Single : A 60 THR OG1 : rot 116:sc= 0.744 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 11 -11.017 -11.231 -5.655 1.00 0.00 N ATOM 2 CA GLN A 11 -10.109 -12.202 -4.989 1.00 0.00 C ATOM 3 C GLN A 11 -10.013 -11.932 -3.492 1.00 0.00 C ATOM 4 O GLN A 11 -10.228 -10.806 -3.037 1.00 0.00 O ATOM 5 CB GLN A 11 -8.725 -12.096 -5.639 1.00 0.00 C ATOM 6 CG GLN A 11 -8.153 -13.436 -6.069 1.00 0.00 C ATOM 7 CD GLN A 11 -6.942 -13.289 -6.971 1.00 0.00 C ATOM 8 OE1 GLN A 11 -7.068 -13.224 -8.194 1.00 0.00 O ATOM 9 NE2 GLN A 11 -5.759 -13.234 -6.369 1.00 0.00 N ATOM 0 HA GLN A 11 -10.507 -13.209 -5.112 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -8.790 -11.442 -6.508 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -8.037 -11.625 -4.936 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.876 -14.009 -5.185 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.923 -14.006 -6.590 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.701 -13.292 -5.352 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.909 -13.134 -6.924 1.00 0.00 H new ATOM 18 N ALA A 12 -9.689 -12.969 -2.726 1.00 0.00 N ATOM 19 CA ALA A 12 -9.564 -12.843 -1.279 1.00 0.00 C ATOM 20 C ALA A 12 -8.266 -12.140 -0.900 1.00 0.00 C ATOM 21 O ALA A 12 -7.180 -12.559 -1.302 1.00 0.00 O ATOM 22 CB ALA A 12 -9.636 -14.215 -0.623 1.00 0.00 C ATOM 0 H ALA A 12 -9.508 -13.907 -3.084 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.394 -12.235 -0.918 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.541 -14.107 0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.593 -14.681 -0.859 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.826 -14.840 -0.997 1.00 0.00 H new ATOM 28 N CYS A 13 -8.387 -11.068 -0.125 1.00 0.00 N ATOM 29 CA CYS A 13 -7.225 -10.301 0.309 1.00 0.00 C ATOM 30 C CYS A 13 -7.140 -10.267 1.833 1.00 0.00 C ATOM 31 O CYS A 13 -8.150 -10.389 2.526 1.00 0.00 O ATOM 32 CB CYS A 13 -7.295 -8.877 -0.264 1.00 0.00 C ATOM 33 SG CYS A 13 -6.431 -7.602 0.714 1.00 0.00 S ATOM 0 H CYS A 13 -9.279 -10.710 0.216 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.324 -10.786 -0.066 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -6.876 -8.886 -1.270 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -8.343 -8.592 -0.358 1.00 0.00 H new ATOM 38 N THR A 14 -5.927 -10.093 2.347 1.00 0.00 N ATOM 39 CA THR A 14 -5.707 -10.039 3.787 1.00 0.00 C ATOM 40 C THR A 14 -5.462 -8.604 4.244 1.00 0.00 C ATOM 41 O THR A 14 -4.471 -7.980 3.865 1.00 0.00 O ATOM 42 CB THR A 14 -4.517 -10.919 4.172 1.00 0.00 C ATOM 43 OG1 THR A 14 -4.298 -10.885 5.571 1.00 0.00 O ATOM 44 CG2 THR A 14 -3.226 -10.513 3.495 1.00 0.00 C ATOM 0 H THR A 14 -5.081 -9.987 1.787 1.00 0.00 H new ATOM 0 HA THR A 14 -6.603 -10.412 4.283 1.00 0.00 H new ATOM 0 HB THR A 14 -4.782 -11.922 3.838 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.643 -11.572 5.816 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.424 -11.179 3.813 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.346 -10.579 2.414 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.978 -9.488 3.770 1.00 0.00 H new ATOM 52 N LEU A 15 -6.373 -8.090 5.065 1.00 0.00 N ATOM 53 CA LEU A 15 -6.260 -6.729 5.581 1.00 0.00 C ATOM 54 C LEU A 15 -4.947 -6.547 6.340 1.00 0.00 C ATOM 55 O LEU A 15 -4.321 -7.522 6.755 1.00 0.00 O ATOM 56 CB LEU A 15 -7.442 -6.414 6.502 1.00 0.00 C ATOM 57 CG LEU A 15 -7.845 -7.546 7.451 1.00 0.00 C ATOM 58 CD1 LEU A 15 -8.155 -6.999 8.836 1.00 0.00 C ATOM 59 CD2 LEU A 15 -9.039 -8.311 6.896 1.00 0.00 C ATOM 0 H LEU A 15 -7.198 -8.595 5.388 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.272 -6.040 4.736 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.196 -5.534 7.095 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.303 -6.153 5.886 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.006 -8.237 7.536 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.439 -7.819 9.496 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.272 -6.501 9.236 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.976 -6.285 8.770 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.310 -9.111 7.584 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.883 -7.632 6.778 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.779 -8.738 5.927 1.00 0.00 H new ATOM 71 N PRO A 16 -4.512 -5.289 6.536 1.00 0.00 N ATOM 72 CA PRO A 16 -3.270 -4.987 7.254 1.00 0.00 C ATOM 73 C PRO A 16 -3.202 -5.690 8.606 1.00 0.00 C ATOM 74 O PRO A 16 -2.118 -5.950 9.128 1.00 0.00 O ATOM 75 CB PRO A 16 -3.309 -3.460 7.439 1.00 0.00 C ATOM 76 CG PRO A 16 -4.696 -3.045 7.069 1.00 0.00 C ATOM 77 CD PRO A 16 -5.186 -4.066 6.086 1.00 0.00 C ATOM 0 HA PRO A 16 -2.393 -5.332 6.706 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -3.079 -3.184 8.468 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.571 -2.969 6.805 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.340 -3.009 7.948 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.700 -2.047 6.630 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.271 -4.167 6.113 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.915 -3.807 5.063 1.00 0.00 H new ATOM 85 N ASN A 17 -4.368 -6.000 9.167 1.00 0.00 N ATOM 86 CA ASN A 17 -4.441 -6.679 10.454 1.00 0.00 C ATOM 87 C ASN A 17 -4.322 -8.194 10.283 1.00 0.00 C ATOM 88 O ASN A 17 -4.048 -8.914 11.243 1.00 0.00 O ATOM 89 CB ASN A 17 -5.753 -6.333 11.163 1.00 0.00 C ATOM 90 CG ASN A 17 -5.538 -5.453 12.379 1.00 0.00 C ATOM 91 OD1 ASN A 17 -5.885 -5.826 13.499 1.00 0.00 O ATOM 92 ND2 ASN A 17 -4.963 -4.275 12.161 1.00 0.00 N ATOM 0 H ASN A 17 -5.275 -5.791 8.749 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.605 -6.337 11.064 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.418 -5.826 10.464 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.252 -7.253 11.467 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.793 -3.639 12.940 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.692 -4.007 11.215 1.00 0.00 H new ATOM 99 N ASN A 18 -4.532 -8.671 9.058 1.00 0.00 N ATOM 100 CA ASN A 18 -4.449 -10.098 8.762 1.00 0.00 C ATOM 101 C ASN A 18 -5.609 -10.857 9.398 1.00 0.00 C ATOM 102 O ASN A 18 -5.492 -11.374 10.509 1.00 0.00 O ATOM 103 CB ASN A 18 -3.118 -10.671 9.257 1.00 0.00 C ATOM 104 CG ASN A 18 -2.826 -12.040 8.673 1.00 0.00 C ATOM 105 OD1 ASN A 18 -3.460 -13.030 9.036 1.00 0.00 O ATOM 106 ND2 ASN A 18 -1.861 -12.101 7.763 1.00 0.00 N ATOM 0 H ASN A 18 -4.761 -8.088 8.253 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.508 -10.219 7.680 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.311 -9.987 8.994 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.137 -10.739 10.345 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.619 -12.995 7.335 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.361 -11.254 7.492 1.00 0.00 H new ATOM 113 N ASP A 19 -6.729 -10.920 8.683 1.00 0.00 N ATOM 114 CA ASP A 19 -7.912 -11.616 9.176 1.00 0.00 C ATOM 115 C ASP A 19 -8.773 -12.115 8.019 1.00 0.00 C ATOM 116 O ASP A 19 -9.978 -12.314 8.173 1.00 0.00 O ATOM 117 CB ASP A 19 -8.733 -10.695 10.079 1.00 0.00 C ATOM 118 CG ASP A 19 -8.116 -10.533 11.454 1.00 0.00 C ATOM 119 OD1 ASP A 19 -7.780 -11.562 12.080 1.00 0.00 O ATOM 120 OD2 ASP A 19 -7.969 -9.378 11.907 1.00 0.00 O ATOM 0 H ASP A 19 -6.841 -10.498 7.761 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.580 -12.478 9.755 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.825 -9.717 9.608 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.741 -11.096 10.181 1.00 0.00 H new ATOM 125 N LYS A 20 -8.149 -12.316 6.861 1.00 0.00 N ATOM 126 CA LYS A 20 -8.861 -12.792 5.680 1.00 0.00 C ATOM 127 C LYS A 20 -9.913 -11.781 5.235 1.00 0.00 C ATOM 128 O LYS A 20 -10.650 -11.235 6.055 1.00 0.00 O ATOM 129 CB LYS A 20 -9.522 -14.142 5.963 1.00 0.00 C ATOM 130 CG LYS A 20 -8.590 -15.150 6.619 1.00 0.00 C ATOM 131 CD LYS A 20 -9.325 -16.008 7.638 1.00 0.00 C ATOM 132 CE LYS A 20 -8.357 -16.823 8.480 1.00 0.00 C ATOM 133 NZ LYS A 20 -7.580 -17.788 7.653 1.00 0.00 N ATOM 0 H LYS A 20 -7.152 -12.156 6.716 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.136 -12.914 4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.387 -13.986 6.608 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.894 -14.559 5.027 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.148 -15.789 5.855 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.770 -14.624 7.108 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.926 -15.370 8.287 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.014 -16.677 7.123 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.671 -16.152 8.996 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.910 -17.365 9.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.981 -18.371 8.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.235 -18.401 7.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.981 -17.266 6.982 1.00 0.00 H new ATOM 147 N GLY A 21 -9.978 -11.535 3.929 1.00 0.00 N ATOM 148 CA GLY A 21 -10.943 -10.588 3.404 1.00 0.00 C ATOM 149 C GLY A 21 -11.086 -10.672 1.896 1.00 0.00 C ATOM 150 O GLY A 21 -10.696 -11.665 1.281 1.00 0.00 O ATOM 0 H GLY A 21 -9.381 -11.974 3.228 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -11.913 -10.769 3.867 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.642 -9.578 3.680 1.00 0.00 H new ATOM 154 N THR A 22 -11.651 -9.625 1.304 1.00 0.00 N ATOM 155 CA THR A 22 -11.853 -9.571 -0.140 1.00 0.00 C ATOM 156 C THR A 22 -11.181 -8.337 -0.735 1.00 0.00 C ATOM 157 O THR A 22 -11.109 -7.290 -0.092 1.00 0.00 O ATOM 158 CB THR A 22 -13.348 -9.560 -0.467 1.00 0.00 C ATOM 159 OG1 THR A 22 -14.061 -10.400 0.423 1.00 0.00 O ATOM 160 CG2 THR A 22 -13.656 -10.019 -1.876 1.00 0.00 C ATOM 0 H THR A 22 -11.979 -8.799 1.804 1.00 0.00 H new ATOM 0 HA THR A 22 -11.399 -10.459 -0.580 1.00 0.00 H new ATOM 0 HB THR A 22 -13.659 -8.520 -0.365 1.00 0.00 H new ATOM 0 HG1 THR A 22 -15.015 -10.379 0.199 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.733 -9.987 -2.042 1.00 0.00 H new ATOM 0 HG22 THR A 22 -13.159 -9.362 -2.590 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.298 -11.039 -2.013 1.00 0.00 H new ATOM 168 N CYS A 23 -10.688 -8.466 -1.962 1.00 0.00 N ATOM 169 CA CYS A 23 -10.019 -7.355 -2.632 1.00 0.00 C ATOM 170 C CYS A 23 -10.761 -6.957 -3.904 1.00 0.00 C ATOM 171 O CYS A 23 -10.946 -7.770 -4.810 1.00 0.00 O ATOM 172 CB CYS A 23 -8.575 -7.733 -2.970 1.00 0.00 C ATOM 173 SG CYS A 23 -7.335 -6.522 -2.405 1.00 0.00 S ATOM 0 H CYS A 23 -10.738 -9.324 -2.511 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.018 -6.503 -1.952 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.351 -8.702 -2.523 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.485 -7.851 -4.050 1.00 0.00 H new ATOM 178 N LYS A 24 -11.179 -5.697 -3.961 1.00 0.00 N ATOM 179 CA LYS A 24 -11.897 -5.178 -5.118 1.00 0.00 C ATOM 180 C LYS A 24 -11.531 -3.717 -5.365 1.00 0.00 C ATOM 181 O LYS A 24 -10.893 -3.078 -4.529 1.00 0.00 O ATOM 182 CB LYS A 24 -13.407 -5.311 -4.910 1.00 0.00 C ATOM 183 CG LYS A 24 -13.897 -4.717 -3.600 1.00 0.00 C ATOM 184 CD LYS A 24 -15.150 -5.422 -3.103 1.00 0.00 C ATOM 185 CE LYS A 24 -15.232 -5.407 -1.585 1.00 0.00 C ATOM 186 NZ LYS A 24 -16.608 -5.709 -1.102 1.00 0.00 N ATOM 0 H LYS A 24 -11.032 -5.015 -3.217 1.00 0.00 H new ATOM 0 HA LYS A 24 -11.608 -5.763 -5.991 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -13.923 -4.822 -5.736 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.678 -6.366 -4.944 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.112 -4.795 -2.848 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.105 -3.656 -3.736 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.032 -4.937 -3.521 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.154 -6.452 -3.459 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.535 -6.138 -1.176 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.923 -4.430 -1.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.892 -4.999 -0.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.270 -5.686 -1.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.624 -6.654 -0.667 1.00 0.00 H new ATOM 200 N SER A 25 -11.940 -3.194 -6.517 1.00 0.00 N ATOM 201 CA SER A 25 -11.655 -1.808 -6.868 1.00 0.00 C ATOM 202 C SER A 25 -12.224 -0.855 -5.820 1.00 0.00 C ATOM 203 O SER A 25 -12.777 -1.287 -4.808 1.00 0.00 O ATOM 204 CB SER A 25 -12.236 -1.476 -8.243 1.00 0.00 C ATOM 205 OG SER A 25 -13.370 -2.279 -8.524 1.00 0.00 O ATOM 0 H SER A 25 -12.469 -3.708 -7.222 1.00 0.00 H new ATOM 0 HA SER A 25 -10.573 -1.683 -6.900 1.00 0.00 H new ATOM 0 HB2 SER A 25 -12.514 -0.423 -8.279 1.00 0.00 H new ATOM 0 HB3 SER A 25 -11.477 -1.632 -9.010 1.00 0.00 H new ATOM 0 HG SER A 25 -13.724 -2.047 -9.408 1.00 0.00 H new ATOM 211 N LEU A 26 -12.083 0.443 -6.068 1.00 0.00 N ATOM 212 CA LEU A 26 -12.583 1.457 -5.146 1.00 0.00 C ATOM 213 C LEU A 26 -13.964 1.948 -5.566 1.00 0.00 C ATOM 214 O LEU A 26 -14.304 3.116 -5.372 1.00 0.00 O ATOM 215 CB LEU A 26 -11.611 2.636 -5.073 1.00 0.00 C ATOM 216 CG LEU A 26 -11.456 3.428 -6.374 1.00 0.00 C ATOM 217 CD1 LEU A 26 -11.360 4.919 -6.086 1.00 0.00 C ATOM 218 CD2 LEU A 26 -10.232 2.953 -7.144 1.00 0.00 C ATOM 0 H LEU A 26 -11.627 0.818 -6.900 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.666 1.001 -4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.946 3.316 -4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.632 2.262 -4.774 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.339 3.254 -6.989 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.250 5.464 -7.023 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.265 5.250 -5.577 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.496 5.112 -5.451 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.137 3.527 -8.066 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.340 3.096 -6.534 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.341 1.895 -7.384 1.00 0.00 H new ATOM 230 N LEU A 27 -14.758 1.051 -6.142 1.00 0.00 N ATOM 231 CA LEU A 27 -16.104 1.393 -6.586 1.00 0.00 C ATOM 232 C LEU A 27 -17.035 0.188 -6.481 1.00 0.00 C ATOM 233 O LEU A 27 -18.000 0.067 -7.235 1.00 0.00 O ATOM 234 CB LEU A 27 -16.076 1.907 -8.028 1.00 0.00 C ATOM 235 CG LEU A 27 -15.137 1.151 -8.970 1.00 0.00 C ATOM 236 CD1 LEU A 27 -15.862 -0.014 -9.625 1.00 0.00 C ATOM 237 CD2 LEU A 27 -14.575 2.092 -10.026 1.00 0.00 C ATOM 0 H LEU A 27 -14.492 0.081 -6.312 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.483 2.181 -5.935 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -17.087 1.860 -8.433 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.785 2.958 -8.017 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.308 0.753 -8.385 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.178 -0.540 -10.291 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.218 -0.700 -8.856 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.710 0.361 -10.198 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.909 1.539 -10.688 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.393 2.517 -10.607 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.020 2.894 -9.540 1.00 0.00 H new ATOM 249 N GLN A 28 -16.736 -0.701 -5.538 1.00 0.00 N ATOM 250 CA GLN A 28 -17.544 -1.897 -5.330 1.00 0.00 C ATOM 251 C GLN A 28 -17.975 -2.013 -3.872 1.00 0.00 C ATOM 252 O GLN A 28 -19.146 -2.253 -3.578 1.00 0.00 O ATOM 253 CB GLN A 28 -16.760 -3.145 -5.743 1.00 0.00 C ATOM 254 CG GLN A 28 -16.645 -3.323 -7.248 1.00 0.00 C ATOM 255 CD GLN A 28 -17.946 -3.775 -7.881 1.00 0.00 C ATOM 256 OE1 GLN A 28 -18.860 -4.229 -7.195 1.00 0.00 O ATOM 257 NE2 GLN A 28 -18.035 -3.653 -9.201 1.00 0.00 N ATOM 0 H GLN A 28 -15.940 -0.615 -4.906 1.00 0.00 H new ATOM 0 HA GLN A 28 -18.437 -1.816 -5.950 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.759 -3.093 -5.315 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -17.244 -4.024 -5.318 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -16.333 -2.381 -7.699 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.866 -4.054 -7.466 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -17.252 -3.271 -9.732 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -18.886 -3.941 -9.684 1.00 0.00 H new ATOM 266 N CYS A 29 -17.022 -1.839 -2.964 1.00 0.00 N ATOM 267 CA CYS A 29 -17.302 -1.923 -1.535 1.00 0.00 C ATOM 268 C CYS A 29 -18.182 -0.760 -1.086 1.00 0.00 C ATOM 269 O CYS A 29 -17.988 0.378 -1.514 1.00 0.00 O ATOM 270 CB CYS A 29 -15.996 -1.926 -0.738 1.00 0.00 C ATOM 271 SG CYS A 29 -16.081 -2.851 0.829 1.00 0.00 S ATOM 0 H CYS A 29 -16.048 -1.639 -3.192 1.00 0.00 H new ATOM 0 HA CYS A 29 -17.836 -2.855 -1.348 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -15.207 -2.353 -1.357 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -15.711 -0.896 -0.524 1.00 0.00 H new ATOM 276 N ASP A 30 -19.149 -1.053 -0.222 1.00 0.00 N ATOM 277 CA ASP A 30 -20.058 -0.029 0.282 1.00 0.00 C ATOM 278 C ASP A 30 -19.286 1.088 0.973 1.00 0.00 C ATOM 279 O ASP A 30 -19.594 2.268 0.803 1.00 0.00 O ATOM 280 CB ASP A 30 -21.068 -0.646 1.253 1.00 0.00 C ATOM 281 CG ASP A 30 -22.254 -1.260 0.537 1.00 0.00 C ATOM 282 OD1 ASP A 30 -22.957 -0.526 -0.187 1.00 0.00 O ATOM 283 OD2 ASP A 30 -22.479 -2.479 0.700 1.00 0.00 O ATOM 0 H ASP A 30 -19.323 -1.989 0.143 1.00 0.00 H new ATOM 0 HA ASP A 30 -20.595 0.396 -0.566 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -20.573 -1.410 1.852 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.420 0.121 1.943 1.00 0.00 H new ATOM 288 N VAL A 31 -18.278 0.709 1.749 1.00 0.00 N ATOM 289 CA VAL A 31 -17.456 1.678 2.459 1.00 0.00 C ATOM 290 C VAL A 31 -16.655 2.525 1.481 1.00 0.00 C ATOM 291 O VAL A 31 -16.490 3.728 1.674 1.00 0.00 O ATOM 292 CB VAL A 31 -16.491 0.991 3.443 1.00 0.00 C ATOM 293 CG1 VAL A 31 -17.265 0.281 4.543 1.00 0.00 C ATOM 294 CG2 VAL A 31 -15.581 0.017 2.709 1.00 0.00 C ATOM 0 H VAL A 31 -18.011 -0.263 1.902 1.00 0.00 H new ATOM 0 HA VAL A 31 -18.133 2.317 3.025 1.00 0.00 H new ATOM 0 HB VAL A 31 -15.868 1.757 3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -16.566 -0.198 5.228 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -17.869 1.006 5.089 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -17.915 -0.474 4.101 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -14.907 -0.458 3.421 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -16.185 -0.745 2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -14.998 0.556 1.962 1.00 0.00 H new ATOM 304 N ALA A 32 -16.162 1.889 0.427 1.00 0.00 N ATOM 305 CA ALA A 32 -15.384 2.587 -0.586 1.00 0.00 C ATOM 306 C ALA A 32 -16.228 3.648 -1.280 1.00 0.00 C ATOM 307 O ALA A 32 -15.741 4.725 -1.617 1.00 0.00 O ATOM 308 CB ALA A 32 -14.828 1.600 -1.602 1.00 0.00 C ATOM 0 H ALA A 32 -16.287 0.892 0.252 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.549 3.085 -0.093 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.249 2.138 -2.353 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.186 0.880 -1.096 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -15.651 1.074 -2.087 1.00 0.00 H new ATOM 314 N SER A 33 -17.502 3.333 -1.489 1.00 0.00 N ATOM 315 CA SER A 33 -18.424 4.254 -2.143 1.00 0.00 C ATOM 316 C SER A 33 -18.621 5.518 -1.313 1.00 0.00 C ATOM 317 O SER A 33 -18.609 6.628 -1.843 1.00 0.00 O ATOM 318 CB SER A 33 -19.771 3.572 -2.385 1.00 0.00 C ATOM 319 OG SER A 33 -19.619 2.404 -3.171 1.00 0.00 O ATOM 0 H SER A 33 -17.920 2.444 -1.214 1.00 0.00 H new ATOM 0 HA SER A 33 -17.990 4.540 -3.101 1.00 0.00 H new ATOM 0 HB2 SER A 33 -20.228 3.314 -1.430 1.00 0.00 H new ATOM 0 HB3 SER A 33 -20.448 4.265 -2.885 1.00 0.00 H new ATOM 0 HG SER A 33 -19.088 1.745 -2.678 1.00 0.00 H new ATOM 325 N LYS A 34 -18.808 5.340 -0.010 1.00 0.00 N ATOM 326 CA LYS A 34 -19.013 6.468 0.891 1.00 0.00 C ATOM 327 C LYS A 34 -17.789 7.380 0.913 1.00 0.00 C ATOM 328 O LYS A 34 -17.910 8.593 1.085 1.00 0.00 O ATOM 329 CB LYS A 34 -19.342 5.975 2.306 1.00 0.00 C ATOM 330 CG LYS A 34 -18.163 5.358 3.044 1.00 0.00 C ATOM 331 CD LYS A 34 -18.085 5.846 4.481 1.00 0.00 C ATOM 332 CE LYS A 34 -16.953 5.171 5.242 1.00 0.00 C ATOM 333 NZ LYS A 34 -17.429 4.548 6.508 1.00 0.00 N ATOM 0 H LYS A 34 -18.822 4.427 0.445 1.00 0.00 H new ATOM 0 HA LYS A 34 -19.859 7.046 0.520 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -19.723 6.812 2.890 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -20.143 5.238 2.244 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -18.254 4.272 3.032 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.238 5.606 2.524 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -17.938 6.926 4.491 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -19.031 5.648 4.985 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.496 4.408 4.612 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.179 5.905 5.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -16.628 4.099 6.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -17.842 5.280 7.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -18.149 3.830 6.292 1.00 0.00 H new ATOM 347 N ILE A 35 -16.613 6.789 0.737 1.00 0.00 N ATOM 348 CA ILE A 35 -15.366 7.545 0.734 1.00 0.00 C ATOM 349 C ILE A 35 -15.244 8.396 -0.531 1.00 0.00 C ATOM 350 O ILE A 35 -14.695 9.496 -0.505 1.00 0.00 O ATOM 351 CB ILE A 35 -14.140 6.616 0.850 1.00 0.00 C ATOM 352 CG1 ILE A 35 -14.192 5.835 2.165 1.00 0.00 C ATOM 353 CG2 ILE A 35 -12.845 7.414 0.754 1.00 0.00 C ATOM 354 CD1 ILE A 35 -13.979 6.693 3.393 1.00 0.00 C ATOM 0 H ILE A 35 -16.497 5.786 0.594 1.00 0.00 H new ATOM 0 HA ILE A 35 -15.389 8.200 1.605 1.00 0.00 H new ATOM 0 HB ILE A 35 -14.164 5.909 0.021 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -15.159 5.338 2.244 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -13.433 5.053 2.143 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -11.994 6.738 0.838 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.805 7.929 -0.206 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -12.808 8.146 1.561 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -14.030 6.070 4.286 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -13.000 7.170 3.338 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -14.753 7.459 3.441 1.00 0.00 H new ATOM 366 N ILE A 36 -15.746 7.877 -1.639 1.00 0.00 N ATOM 367 CA ILE A 36 -15.684 8.595 -2.906 1.00 0.00 C ATOM 368 C ILE A 36 -16.703 9.734 -2.946 1.00 0.00 C ATOM 369 O ILE A 36 -16.465 10.769 -3.569 1.00 0.00 O ATOM 370 CB ILE A 36 -15.931 7.648 -4.098 1.00 0.00 C ATOM 371 CG1 ILE A 36 -14.916 6.502 -4.083 1.00 0.00 C ATOM 372 CG2 ILE A 36 -15.860 8.413 -5.414 1.00 0.00 C ATOM 373 CD1 ILE A 36 -13.511 6.924 -4.464 1.00 0.00 C ATOM 0 H ILE A 36 -16.200 6.965 -1.690 1.00 0.00 H new ATOM 0 HA ILE A 36 -14.680 9.012 -2.987 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.931 7.225 -4.005 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -14.895 6.061 -3.087 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -15.250 5.724 -4.769 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -16.037 7.728 -6.243 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -16.619 9.195 -5.422 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.873 8.864 -5.520 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.849 6.058 -4.430 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -13.516 7.338 -5.472 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -13.156 7.680 -3.764 1.00 0.00 H new ATOM 385 N SER A 37 -17.844 9.531 -2.291 1.00 0.00 N ATOM 386 CA SER A 37 -18.902 10.538 -2.269 1.00 0.00 C ATOM 387 C SER A 37 -18.997 11.264 -0.924 1.00 0.00 C ATOM 388 O SER A 37 -19.853 12.130 -0.746 1.00 0.00 O ATOM 389 CB SER A 37 -20.248 9.890 -2.596 1.00 0.00 C ATOM 390 OG SER A 37 -20.742 9.149 -1.491 1.00 0.00 O ATOM 0 H SER A 37 -18.059 8.681 -1.770 1.00 0.00 H new ATOM 0 HA SER A 37 -18.648 11.282 -3.025 1.00 0.00 H new ATOM 0 HB2 SER A 37 -20.968 10.660 -2.872 1.00 0.00 H new ATOM 0 HB3 SER A 37 -20.138 9.233 -3.458 1.00 0.00 H new ATOM 0 HG SER A 37 -20.222 8.325 -1.391 1.00 0.00 H new ATOM 396 N LYS A 38 -18.134 10.911 0.030 1.00 0.00 N ATOM 397 CA LYS A 38 -18.164 11.544 1.349 1.00 0.00 C ATOM 398 C LYS A 38 -18.172 13.073 1.232 1.00 0.00 C ATOM 399 O LYS A 38 -19.237 13.689 1.169 1.00 0.00 O ATOM 400 CB LYS A 38 -16.989 11.060 2.212 1.00 0.00 C ATOM 401 CG LYS A 38 -15.667 10.974 1.471 1.00 0.00 C ATOM 402 CD LYS A 38 -14.538 11.627 2.253 1.00 0.00 C ATOM 403 CE LYS A 38 -13.805 10.615 3.118 1.00 0.00 C ATOM 404 NZ LYS A 38 -12.368 10.966 3.286 1.00 0.00 N ATOM 0 H LYS A 38 -17.413 10.198 -0.084 1.00 0.00 H new ATOM 0 HA LYS A 38 -19.090 11.248 1.842 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.874 11.734 3.060 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -17.231 10.077 2.617 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.422 9.928 1.284 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.763 11.458 0.499 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.836 12.093 1.561 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.941 12.421 2.882 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.282 10.560 4.096 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.887 9.626 2.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.781 10.131 3.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.118 11.730 2.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.200 11.283 4.262 1.00 0.00 H new ATOM 418 N LYS A 39 -16.991 13.683 1.194 1.00 0.00 N ATOM 419 CA LYS A 39 -16.878 15.134 1.074 1.00 0.00 C ATOM 420 C LYS A 39 -15.411 15.564 1.116 1.00 0.00 C ATOM 421 O LYS A 39 -14.869 16.033 0.115 1.00 0.00 O ATOM 422 CB LYS A 39 -17.673 15.833 2.184 1.00 0.00 C ATOM 423 CG LYS A 39 -18.896 16.581 1.675 1.00 0.00 C ATOM 424 CD LYS A 39 -19.816 16.982 2.817 1.00 0.00 C ATOM 425 CE LYS A 39 -19.275 18.185 3.574 1.00 0.00 C ATOM 426 NZ LYS A 39 -18.731 17.803 4.907 1.00 0.00 N ATOM 0 H LYS A 39 -16.097 13.195 1.245 1.00 0.00 H new ATOM 0 HA LYS A 39 -17.297 15.430 0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -17.990 15.090 2.916 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -17.019 16.533 2.703 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -18.580 17.471 1.131 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -19.441 15.953 0.970 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -20.806 17.214 2.424 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -19.934 16.143 3.502 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -18.492 18.662 2.985 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -20.069 18.920 3.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.372 18.650 5.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -19.485 17.371 5.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.956 17.121 4.783 1.00 0.00 H new ATOM 440 N PRO A 40 -14.744 15.405 2.274 1.00 0.00 N ATOM 441 CA PRO A 40 -13.331 15.776 2.427 1.00 0.00 C ATOM 442 C PRO A 40 -12.417 14.925 1.552 1.00 0.00 C ATOM 443 O PRO A 40 -12.337 13.709 1.719 1.00 0.00 O ATOM 444 CB PRO A 40 -13.046 15.513 3.910 1.00 0.00 C ATOM 445 CG PRO A 40 -14.079 14.522 4.326 1.00 0.00 C ATOM 446 CD PRO A 40 -15.302 14.851 3.521 1.00 0.00 C ATOM 0 HA PRO A 40 -13.146 16.806 2.123 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.040 15.120 4.056 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -13.119 16.430 4.495 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -13.745 13.503 4.132 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -14.282 14.593 5.395 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -15.910 13.966 3.332 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.939 15.572 4.033 1.00 0.00 H new ATOM 454 N ARG A 41 -11.728 15.573 0.617 1.00 0.00 N ATOM 455 CA ARG A 41 -10.819 14.874 -0.285 1.00 0.00 C ATOM 456 C ARG A 41 -9.396 15.397 -0.136 1.00 0.00 C ATOM 457 O ARG A 41 -9.047 16.444 -0.683 1.00 0.00 O ATOM 458 CB ARG A 41 -11.284 15.033 -1.734 1.00 0.00 C ATOM 459 CG ARG A 41 -11.346 16.478 -2.199 1.00 0.00 C ATOM 460 CD ARG A 41 -12.547 16.724 -3.097 1.00 0.00 C ATOM 461 NE ARG A 41 -12.233 17.641 -4.191 1.00 0.00 N ATOM 462 CZ ARG A 41 -12.968 17.756 -5.295 1.00 0.00 C ATOM 463 NH1 ARG A 41 -14.059 17.018 -5.453 1.00 0.00 N ATOM 464 NH2 ARG A 41 -12.612 18.614 -6.241 1.00 0.00 N ATOM 0 H ARG A 41 -11.782 16.580 0.465 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.827 13.816 -0.021 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.609 14.479 -2.386 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.271 14.583 -1.841 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.397 17.138 -1.333 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.431 16.728 -2.737 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.894 15.775 -3.507 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.365 17.133 -2.504 1.00 0.00 H new ATOM 0 HE ARG A 41 -11.403 18.227 -4.104 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.338 16.359 -4.727 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -14.619 17.110 -6.301 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.775 19.185 -6.123 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.175 18.703 -7.087 1.00 0.00 H new ATOM 478 N THR A 42 -8.576 14.664 0.609 1.00 0.00 N ATOM 479 CA THR A 42 -7.188 15.054 0.832 1.00 0.00 C ATOM 480 C THR A 42 -6.232 13.933 0.432 1.00 0.00 C ATOM 481 O THR A 42 -6.639 12.783 0.268 1.00 0.00 O ATOM 482 CB THR A 42 -6.973 15.426 2.300 1.00 0.00 C ATOM 483 OG1 THR A 42 -8.003 16.284 2.757 1.00 0.00 O ATOM 484 CG2 THR A 42 -5.651 16.120 2.554 1.00 0.00 C ATOM 0 H THR A 42 -8.849 13.796 1.069 1.00 0.00 H new ATOM 0 HA THR A 42 -6.977 15.922 0.208 1.00 0.00 H new ATOM 0 HB THR A 42 -6.979 14.480 2.841 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.848 16.509 3.698 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.562 16.356 3.614 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.833 15.463 2.259 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.606 17.041 1.972 1.00 0.00 H new ATOM 492 N ALA A 43 -4.958 14.280 0.281 1.00 0.00 N ATOM 493 CA ALA A 43 -3.933 13.313 -0.099 1.00 0.00 C ATOM 494 C ALA A 43 -3.891 12.141 0.876 1.00 0.00 C ATOM 495 O ALA A 43 -3.582 11.013 0.491 1.00 0.00 O ATOM 496 CB ALA A 43 -2.573 13.990 -0.172 1.00 0.00 C ATOM 0 H ALA A 43 -4.609 15.229 0.417 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.187 12.921 -1.084 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.817 13.258 -0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.603 14.788 -0.914 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.323 14.410 0.802 1.00 0.00 H new ATOM 502 N GLN A 44 -4.195 12.415 2.139 1.00 0.00 N ATOM 503 CA GLN A 44 -4.183 11.380 3.167 1.00 0.00 C ATOM 504 C GLN A 44 -5.159 10.260 2.824 1.00 0.00 C ATOM 505 O GLN A 44 -4.948 9.104 3.194 1.00 0.00 O ATOM 506 CB GLN A 44 -4.539 11.982 4.527 1.00 0.00 C ATOM 507 CG GLN A 44 -3.352 12.601 5.247 1.00 0.00 C ATOM 508 CD GLN A 44 -3.742 13.266 6.552 1.00 0.00 C ATOM 509 OE1 GLN A 44 -4.820 13.014 7.091 1.00 0.00 O ATOM 510 NE2 GLN A 44 -2.866 14.120 7.065 1.00 0.00 N ATOM 0 H GLN A 44 -4.452 13.343 2.476 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.178 10.960 3.213 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.307 12.743 4.388 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.971 11.205 5.157 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.609 11.828 5.445 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.880 13.337 4.596 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.985 14.298 6.583 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.074 14.599 7.941 1.00 0.00 H new ATOM 519 N ASP A 45 -6.227 10.605 2.113 1.00 0.00 N ATOM 520 CA ASP A 45 -7.234 9.626 1.719 1.00 0.00 C ATOM 521 C ASP A 45 -6.691 8.672 0.658 1.00 0.00 C ATOM 522 O ASP A 45 -7.017 7.484 0.654 1.00 0.00 O ATOM 523 CB ASP A 45 -8.484 10.334 1.194 1.00 0.00 C ATOM 524 CG ASP A 45 -9.356 10.869 2.313 1.00 0.00 C ATOM 525 OD1 ASP A 45 -9.485 10.181 3.348 1.00 0.00 O ATOM 526 OD2 ASP A 45 -9.911 11.976 2.154 1.00 0.00 O ATOM 0 H ASP A 45 -6.418 11.556 1.797 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.497 9.042 2.601 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.187 11.156 0.543 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -9.063 9.640 0.585 1.00 0.00 H new ATOM 531 N GLU A 46 -5.871 9.199 -0.244 1.00 0.00 N ATOM 532 CA GLU A 46 -5.291 8.393 -1.314 1.00 0.00 C ATOM 533 C GLU A 46 -4.274 7.401 -0.765 1.00 0.00 C ATOM 534 O GLU A 46 -4.203 6.258 -1.213 1.00 0.00 O ATOM 535 CB GLU A 46 -4.634 9.293 -2.362 1.00 0.00 C ATOM 536 CG GLU A 46 -4.529 8.650 -3.735 1.00 0.00 C ATOM 537 CD GLU A 46 -4.994 9.568 -4.848 1.00 0.00 C ATOM 538 OE1 GLU A 46 -4.232 10.485 -5.222 1.00 0.00 O ATOM 539 OE2 GLU A 46 -6.123 9.371 -5.347 1.00 0.00 O ATOM 0 H GLU A 46 -5.592 10.180 -0.257 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.097 7.830 -1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.206 10.217 -2.445 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.636 9.566 -2.020 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.494 8.360 -3.918 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.124 7.737 -3.750 1.00 0.00 H new ATOM 546 N LYS A 47 -3.492 7.839 0.210 1.00 0.00 N ATOM 547 CA LYS A 47 -2.490 6.975 0.819 1.00 0.00 C ATOM 548 C LYS A 47 -3.169 5.864 1.610 1.00 0.00 C ATOM 549 O LYS A 47 -2.704 4.724 1.632 1.00 0.00 O ATOM 550 CB LYS A 47 -1.564 7.780 1.730 1.00 0.00 C ATOM 551 CG LYS A 47 -2.298 8.547 2.815 1.00 0.00 C ATOM 552 CD LYS A 47 -1.345 9.049 3.888 1.00 0.00 C ATOM 553 CE LYS A 47 -0.531 10.237 3.400 1.00 0.00 C ATOM 554 NZ LYS A 47 0.431 10.714 4.433 1.00 0.00 N ATOM 0 H LYS A 47 -3.531 8.783 0.596 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.889 6.530 0.026 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.848 7.103 2.196 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.992 8.482 1.124 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.825 9.392 2.371 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.052 7.904 3.269 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.912 9.334 4.774 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.673 8.244 4.185 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.014 9.958 2.498 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.204 11.050 3.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.966 11.524 4.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.090 11.005 5.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.089 9.946 4.675 1.00 0.00 H new ATOM 568 N PHE A 48 -4.273 6.213 2.264 1.00 0.00 N ATOM 569 CA PHE A 48 -5.027 5.258 3.065 1.00 0.00 C ATOM 570 C PHE A 48 -5.589 4.133 2.206 1.00 0.00 C ATOM 571 O PHE A 48 -5.496 2.959 2.569 1.00 0.00 O ATOM 572 CB PHE A 48 -6.164 5.967 3.805 1.00 0.00 C ATOM 573 CG PHE A 48 -6.449 5.391 5.162 1.00 0.00 C ATOM 574 CD1 PHE A 48 -7.247 4.265 5.297 1.00 0.00 C ATOM 575 CD2 PHE A 48 -5.921 5.975 6.303 1.00 0.00 C ATOM 576 CE1 PHE A 48 -7.512 3.733 6.545 1.00 0.00 C ATOM 577 CE2 PHE A 48 -6.184 5.447 7.552 1.00 0.00 C ATOM 578 CZ PHE A 48 -6.980 4.325 7.673 1.00 0.00 C ATOM 0 H PHE A 48 -4.665 7.154 2.254 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.342 4.820 3.791 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.914 7.022 3.913 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.069 5.914 3.200 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -7.666 3.799 4.418 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.297 6.852 6.214 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.134 2.855 6.638 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.767 5.911 8.434 1.00 0.00 H new ATOM 0 HZ PHE A 48 -7.186 3.911 8.649 1.00 0.00 H new ATOM 588 N LEU A 49 -6.170 4.489 1.067 1.00 0.00 N ATOM 589 CA LEU A 49 -6.739 3.489 0.170 1.00 0.00 C ATOM 590 C LEU A 49 -5.632 2.659 -0.469 1.00 0.00 C ATOM 591 O LEU A 49 -5.775 1.451 -0.654 1.00 0.00 O ATOM 592 CB LEU A 49 -7.606 4.147 -0.909 1.00 0.00 C ATOM 593 CG LEU A 49 -6.930 5.264 -1.706 1.00 0.00 C ATOM 594 CD1 LEU A 49 -6.132 4.688 -2.867 1.00 0.00 C ATOM 595 CD2 LEU A 49 -7.968 6.256 -2.212 1.00 0.00 C ATOM 0 H LEU A 49 -6.260 5.452 0.744 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.376 2.829 0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.936 3.376 -1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.500 4.552 -0.435 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.240 5.790 -1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.659 5.499 -3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.365 4.015 -2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.800 4.137 -3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.472 7.045 -2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.680 5.741 -2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.496 6.694 -1.365 1.00 0.00 H new ATOM 607 N ARG A 50 -4.523 3.315 -0.791 1.00 0.00 N ATOM 608 CA ARG A 50 -3.384 2.638 -1.394 1.00 0.00 C ATOM 609 C ARG A 50 -2.748 1.672 -0.401 1.00 0.00 C ATOM 610 O ARG A 50 -2.306 0.584 -0.771 1.00 0.00 O ATOM 611 CB ARG A 50 -2.346 3.659 -1.868 1.00 0.00 C ATOM 612 CG ARG A 50 -2.026 3.553 -3.349 1.00 0.00 C ATOM 613 CD ARG A 50 -1.246 4.762 -3.840 1.00 0.00 C ATOM 614 NE ARG A 50 -0.459 4.458 -5.033 1.00 0.00 N ATOM 615 CZ ARG A 50 0.571 5.192 -5.449 1.00 0.00 C ATOM 616 NH1 ARG A 50 0.942 6.272 -4.773 1.00 0.00 N ATOM 617 NH2 ARG A 50 1.233 4.842 -6.543 1.00 0.00 N ATOM 0 H ARG A 50 -4.390 4.315 -0.644 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.740 2.071 -2.254 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.712 4.663 -1.654 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.428 3.525 -1.295 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.448 2.647 -3.533 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.952 3.462 -3.916 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.938 5.575 -4.060 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.584 5.112 -3.048 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.714 3.635 -5.579 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.437 6.544 -3.929 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.732 6.830 -5.097 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.953 4.011 -7.065 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.022 5.403 -6.863 1.00 0.00 H new ATOM 631 N GLU A 51 -2.707 2.081 0.861 1.00 0.00 N ATOM 632 CA GLU A 51 -2.124 1.259 1.917 1.00 0.00 C ATOM 633 C GLU A 51 -2.944 -0.010 2.136 1.00 0.00 C ATOM 634 O GLU A 51 -2.407 -1.046 2.534 1.00 0.00 O ATOM 635 CB GLU A 51 -2.034 2.056 3.221 1.00 0.00 C ATOM 636 CG GLU A 51 -0.608 2.384 3.636 1.00 0.00 C ATOM 637 CD GLU A 51 -0.510 2.829 5.081 1.00 0.00 C ATOM 638 OE1 GLU A 51 -1.179 3.819 5.444 1.00 0.00 O ATOM 639 OE2 GLU A 51 0.238 2.188 5.850 1.00 0.00 O ATOM 0 H GLU A 51 -3.071 2.979 1.180 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.120 0.970 1.606 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.594 2.985 3.109 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.514 1.488 4.018 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.021 1.507 3.486 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.217 3.170 2.990 1.00 0.00 H new ATOM 646 N SER A 52 -4.243 0.077 1.876 1.00 0.00 N ATOM 647 CA SER A 52 -5.135 -1.066 2.047 1.00 0.00 C ATOM 648 C SER A 52 -5.365 -1.784 0.720 1.00 0.00 C ATOM 649 O SER A 52 -6.409 -2.402 0.513 1.00 0.00 O ATOM 650 CB SER A 52 -6.473 -0.610 2.630 1.00 0.00 C ATOM 651 OG SER A 52 -6.285 0.124 3.827 1.00 0.00 O ATOM 0 H SER A 52 -4.703 0.926 1.546 1.00 0.00 H new ATOM 0 HA SER A 52 -4.661 -1.763 2.738 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.000 0.006 1.901 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.102 -1.478 2.827 1.00 0.00 H new ATOM 0 HG SER A 52 -6.045 1.049 3.609 1.00 0.00 H new ATOM 657 N ALA A 53 -4.384 -1.701 -0.174 1.00 0.00 N ATOM 658 CA ALA A 53 -4.483 -2.344 -1.478 1.00 0.00 C ATOM 659 C ALA A 53 -3.607 -3.590 -1.540 1.00 0.00 C ATOM 660 O ALA A 53 -2.486 -3.600 -1.029 1.00 0.00 O ATOM 661 CB ALA A 53 -4.099 -1.369 -2.579 1.00 0.00 C ATOM 0 H ALA A 53 -3.512 -1.195 -0.018 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.518 -2.651 -1.628 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.178 -1.864 -3.547 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.770 -0.510 -2.555 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.074 -1.033 -2.426 1.00 0.00 H new ATOM 667 N CYS A 54 -4.124 -4.640 -2.169 1.00 0.00 N ATOM 668 CA CYS A 54 -3.387 -5.895 -2.297 1.00 0.00 C ATOM 669 C CYS A 54 -2.533 -5.907 -3.562 1.00 0.00 C ATOM 670 O CYS A 54 -2.580 -6.854 -4.348 1.00 0.00 O ATOM 671 CB CYS A 54 -4.354 -7.080 -2.307 1.00 0.00 C ATOM 672 SG CYS A 54 -5.699 -6.941 -3.528 1.00 0.00 S ATOM 0 H CYS A 54 -5.049 -4.649 -2.598 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.723 -5.983 -1.437 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.791 -7.992 -2.507 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.790 -7.186 -1.314 1.00 0.00 H new ATOM 677 N GLY A 55 -1.746 -4.848 -3.752 1.00 0.00 N ATOM 678 CA GLY A 55 -0.885 -4.756 -4.920 1.00 0.00 C ATOM 679 C GLY A 55 -1.603 -5.104 -6.212 1.00 0.00 C ATOM 680 O GLY A 55 -2.812 -4.903 -6.333 1.00 0.00 O ATOM 0 H GLY A 55 -1.690 -4.052 -3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.487 -3.744 -4.993 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.034 -5.425 -4.792 1.00 0.00 H new ATOM 684 N PHE A 56 -0.855 -5.628 -7.178 1.00 0.00 N ATOM 685 CA PHE A 56 -1.424 -6.006 -8.468 1.00 0.00 C ATOM 686 C PHE A 56 -1.996 -4.790 -9.188 1.00 0.00 C ATOM 687 O PHE A 56 -2.470 -3.846 -8.556 1.00 0.00 O ATOM 688 CB PHE A 56 -2.514 -7.066 -8.279 1.00 0.00 C ATOM 689 CG PHE A 56 -2.143 -8.412 -8.836 1.00 0.00 C ATOM 690 CD1 PHE A 56 -1.653 -8.530 -10.127 1.00 0.00 C ATOM 691 CD2 PHE A 56 -2.287 -9.556 -8.071 1.00 0.00 C ATOM 692 CE1 PHE A 56 -1.311 -9.765 -10.643 1.00 0.00 C ATOM 693 CE2 PHE A 56 -1.948 -10.796 -8.580 1.00 0.00 C ATOM 694 CZ PHE A 56 -1.460 -10.900 -9.868 1.00 0.00 C ATOM 0 H PHE A 56 0.147 -5.801 -7.092 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.625 -6.424 -9.081 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.730 -7.168 -7.216 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.431 -6.723 -8.759 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.537 -7.646 -10.737 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.669 -9.479 -7.064 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.928 -9.844 -11.650 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.064 -11.681 -7.972 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.195 -11.867 -10.269 1.00 0.00 H new ATOM 704 N ASP A 57 -1.945 -4.817 -10.516 1.00 0.00 N ATOM 705 CA ASP A 57 -2.458 -3.717 -11.325 1.00 0.00 C ATOM 706 C ASP A 57 -1.699 -2.428 -11.033 1.00 0.00 C ATOM 707 O ASP A 57 -1.751 -1.902 -9.922 1.00 0.00 O ATOM 708 CB ASP A 57 -3.951 -3.515 -11.063 1.00 0.00 C ATOM 709 CG ASP A 57 -4.820 -4.329 -12.000 1.00 0.00 C ATOM 710 OD1 ASP A 57 -4.790 -4.060 -13.220 1.00 0.00 O ATOM 711 OD2 ASP A 57 -5.529 -5.235 -11.516 1.00 0.00 O ATOM 0 H ASP A 57 -1.553 -5.589 -11.055 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.313 -3.973 -12.375 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.176 -3.790 -10.033 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.196 -2.458 -11.171 1.00 0.00 H new ATOM 716 N GLY A 58 -0.993 -1.922 -12.040 1.00 0.00 N ATOM 717 CA GLY A 58 -0.235 -0.698 -11.870 1.00 0.00 C ATOM 718 C GLY A 58 -1.046 0.541 -12.201 1.00 0.00 C ATOM 719 O GLY A 58 -0.769 1.626 -11.690 1.00 0.00 O ATOM 0 H GLY A 58 -0.933 -2.338 -12.969 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.117 -0.633 -10.840 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.648 -0.731 -12.508 1.00 0.00 H new ATOM 723 N GLN A 59 -2.050 0.379 -13.057 1.00 0.00 N ATOM 724 CA GLN A 59 -2.901 1.494 -13.454 1.00 0.00 C ATOM 725 C GLN A 59 -4.274 1.391 -12.797 1.00 0.00 C ATOM 726 O GLN A 59 -4.848 2.396 -12.377 1.00 0.00 O ATOM 727 CB GLN A 59 -3.052 1.530 -14.977 1.00 0.00 C ATOM 728 CG GLN A 59 -2.982 2.932 -15.561 1.00 0.00 C ATOM 729 CD GLN A 59 -3.573 3.012 -16.954 1.00 0.00 C ATOM 730 OE1 GLN A 59 -4.765 2.777 -17.151 1.00 0.00 O ATOM 731 NE2 GLN A 59 -2.739 3.346 -17.931 1.00 0.00 N ATOM 0 H GLN A 59 -2.294 -0.513 -13.488 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.427 2.417 -13.121 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.269 0.919 -15.426 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -4.006 1.078 -15.250 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.513 3.622 -14.905 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.942 3.257 -15.592 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -1.758 3.532 -17.723 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -3.079 3.416 -18.890 1.00 0.00 H new ATOM 740 N THR A 60 -4.795 0.171 -12.711 1.00 0.00 N ATOM 741 CA THR A 60 -6.101 -0.060 -12.104 1.00 0.00 C ATOM 742 C THR A 60 -5.995 -0.088 -10.579 1.00 0.00 C ATOM 743 O THR A 60 -5.422 -1.016 -10.009 1.00 0.00 O ATOM 744 CB THR A 60 -6.692 -1.376 -12.609 1.00 0.00 C ATOM 745 OG1 THR A 60 -6.222 -1.670 -13.913 1.00 0.00 O ATOM 746 CG2 THR A 60 -8.205 -1.374 -12.656 1.00 0.00 C ATOM 0 H THR A 60 -4.334 -0.672 -13.053 1.00 0.00 H new ATOM 0 HA THR A 60 -6.759 0.761 -12.390 1.00 0.00 H new ATOM 0 HB THR A 60 -6.368 -2.131 -11.893 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.684 -2.489 -13.890 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.559 -2.337 -13.023 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.600 -1.200 -11.655 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.547 -0.583 -13.324 1.00 0.00 H new ATOM 754 N PRO A 61 -6.548 0.931 -9.895 1.00 0.00 N ATOM 755 CA PRO A 61 -6.507 1.007 -8.431 1.00 0.00 C ATOM 756 C PRO A 61 -7.370 -0.063 -7.770 1.00 0.00 C ATOM 757 O PRO A 61 -8.488 -0.331 -8.208 1.00 0.00 O ATOM 758 CB PRO A 61 -7.060 2.402 -8.129 1.00 0.00 C ATOM 759 CG PRO A 61 -7.912 2.733 -9.304 1.00 0.00 C ATOM 760 CD PRO A 61 -7.254 2.082 -10.489 1.00 0.00 C ATOM 0 HA PRO A 61 -5.502 0.841 -8.044 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.639 2.407 -7.206 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.257 3.128 -8.005 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.927 2.360 -9.167 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.985 3.812 -9.442 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.986 1.765 -11.232 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.565 2.762 -10.990 1.00 0.00 H new ATOM 768 N LYS A 62 -6.842 -0.672 -6.713 1.00 0.00 N ATOM 769 CA LYS A 62 -7.563 -1.712 -5.989 1.00 0.00 C ATOM 770 C LYS A 62 -7.544 -1.441 -4.487 1.00 0.00 C ATOM 771 O LYS A 62 -6.713 -0.677 -3.997 1.00 0.00 O ATOM 772 CB LYS A 62 -6.948 -3.084 -6.278 1.00 0.00 C ATOM 773 CG LYS A 62 -6.728 -3.353 -7.757 1.00 0.00 C ATOM 774 CD LYS A 62 -7.883 -4.139 -8.358 1.00 0.00 C ATOM 775 CE LYS A 62 -7.551 -5.618 -8.475 1.00 0.00 C ATOM 776 NZ LYS A 62 -8.020 -6.387 -7.288 1.00 0.00 N ATOM 0 H LYS A 62 -5.916 -0.463 -6.339 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.598 -1.706 -6.329 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.994 -3.162 -5.757 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.598 -3.858 -5.869 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.615 -2.407 -8.287 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.799 -3.907 -7.893 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.771 -4.013 -7.739 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.122 -3.740 -9.344 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.012 -6.024 -9.376 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.474 -5.741 -8.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.775 -7.391 -7.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.561 -6.017 -6.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.052 -6.291 -7.197 1.00 0.00 H new ATOM 790 N VAL A 63 -8.464 -2.073 -3.765 1.00 0.00 N ATOM 791 CA VAL A 63 -8.550 -1.896 -2.321 1.00 0.00 C ATOM 792 C VAL A 63 -9.005 -3.179 -1.633 1.00 0.00 C ATOM 793 O VAL A 63 -9.662 -4.023 -2.240 1.00 0.00 O ATOM 794 CB VAL A 63 -9.517 -0.758 -1.950 1.00 0.00 C ATOM 795 CG1 VAL A 63 -9.442 -0.456 -0.462 1.00 0.00 C ATOM 796 CG2 VAL A 63 -9.215 0.487 -2.771 1.00 0.00 C ATOM 0 H VAL A 63 -9.158 -2.710 -4.155 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.549 -1.639 -1.976 1.00 0.00 H new ATOM 0 HB VAL A 63 -10.533 -1.080 -2.180 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.133 0.351 -0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.712 -1.347 0.104 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.427 -0.155 -0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.908 1.282 -2.496 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.193 0.813 -2.575 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.326 0.260 -3.831 1.00 0.00 H new ATOM 806 N CYS A 64 -8.650 -3.318 -0.358 1.00 0.00 N ATOM 807 CA CYS A 64 -9.018 -4.496 0.418 1.00 0.00 C ATOM 808 C CYS A 64 -10.212 -4.202 1.322 1.00 0.00 C ATOM 809 O CYS A 64 -10.238 -3.192 2.026 1.00 0.00 O ATOM 810 CB CYS A 64 -7.831 -4.966 1.262 1.00 0.00 C ATOM 811 SG CYS A 64 -7.922 -6.713 1.768 1.00 0.00 S ATOM 0 H CYS A 64 -8.107 -2.627 0.159 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.298 -5.286 -0.279 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -6.913 -4.810 0.696 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.765 -4.344 2.154 1.00 0.00 H new ATOM 816 N CYS A 65 -11.200 -5.093 1.299 1.00 0.00 N ATOM 817 CA CYS A 65 -12.397 -4.930 2.116 1.00 0.00 C ATOM 818 C CYS A 65 -12.723 -6.222 2.869 1.00 0.00 C ATOM 819 O CYS A 65 -13.045 -7.238 2.254 1.00 0.00 O ATOM 820 CB CYS A 65 -13.583 -4.526 1.238 1.00 0.00 C ATOM 821 SG CYS A 65 -14.170 -2.822 1.514 1.00 0.00 S ATOM 0 H CYS A 65 -11.194 -5.935 0.723 1.00 0.00 H new ATOM 0 HA CYS A 65 -12.207 -4.143 2.846 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.300 -4.636 0.191 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -14.407 -5.216 1.419 1.00 0.00 H new ATOM 826 N PRO A 66 -12.646 -6.203 4.213 1.00 0.00 N ATOM 827 CA PRO A 66 -12.937 -7.384 5.031 1.00 0.00 C ATOM 828 C PRO A 66 -14.417 -7.755 5.009 1.00 0.00 C ATOM 829 O PRO A 66 -14.784 -8.862 4.614 1.00 0.00 O ATOM 830 CB PRO A 66 -12.506 -6.967 6.439 1.00 0.00 C ATOM 831 CG PRO A 66 -12.561 -5.477 6.442 1.00 0.00 C ATOM 832 CD PRO A 66 -12.268 -5.036 5.034 1.00 0.00 C ATOM 0 HA PRO A 66 -12.418 -8.269 4.663 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.171 -7.387 7.194 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.501 -7.324 6.665 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -13.542 -5.126 6.762 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.831 -5.063 7.138 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -12.846 -4.152 4.763 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -11.216 -4.781 4.906 1.00 0.00 H new TER 840 PRO A 66