USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 637 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -160:sc= -0.0489 (180deg=-0.568) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0756 USER MOD Single : A 6 SER OG : rot 55:sc= 0.807 USER MOD Single : A 7 SER OG : rot -3:sc= 0.642! USER MOD Single : A 10 HIS :FLIP no HD1:sc= -1.98 F(o=-4.3!,f=-2) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.028 USER MOD Single : A 19 CYS SG : rot 180:sc= -2.28! USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -141:sc= -0.0668 (180deg=-0.588) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -7.46! C(o=-7.5!,f=-16!) USER MOD Single : A 33 MET CE :methyl -158:sc= -8.64! (180deg=-8.95!) USER MOD Single : A 34 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.77) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -76:sc= -5.39! USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0981 USER MOD Single : A 56 CYS SG : rot -98:sc= -14.2! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HE2:sc= -12.7! C(o=-13!,f=-19!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= -0.0246 USER MOD Single : A 75 TYR OH : rot 174:sc= -10.9! USER MOD Single : A 79 LYS NZ :NH3+ -114:sc= 0.0667 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.038 11.993 2.064 1.00 0.00 N ATOM 2 CA MET A 1 -18.220 11.140 2.375 1.00 0.00 C ATOM 3 C MET A 1 -17.872 9.674 2.111 1.00 0.00 C ATOM 4 O MET A 1 -17.693 8.893 3.025 1.00 0.00 O ATOM 5 CB MET A 1 -19.396 11.554 1.488 1.00 0.00 C ATOM 6 CG MET A 1 -19.644 13.058 1.636 1.00 0.00 C ATOM 7 SD MET A 1 -21.176 13.504 0.782 1.00 0.00 S ATOM 8 CE MET A 1 -20.554 14.995 -0.035 1.00 0.00 C ATOM 0 H1 MET A 1 -17.136 12.910 2.544 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.172 11.520 2.394 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.980 12.145 1.037 1.00 0.00 H new ATOM 0 HA MET A 1 -18.495 11.266 3.422 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.183 11.311 0.447 1.00 0.00 H new ATOM 0 HB3 MET A 1 -20.290 10.998 1.769 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.712 13.324 2.691 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.807 13.618 1.220 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.350 15.443 -0.629 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.217 15.708 0.717 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.720 14.732 -0.685 1.00 0.00 H new ATOM 20 N THR A 2 -17.774 9.293 0.867 1.00 0.00 N ATOM 21 CA THR A 2 -17.435 7.879 0.544 1.00 0.00 C ATOM 22 C THR A 2 -15.915 7.732 0.439 1.00 0.00 C ATOM 23 O THR A 2 -15.307 8.162 -0.521 1.00 0.00 O ATOM 24 CB THR A 2 -18.082 7.491 -0.787 1.00 0.00 C ATOM 25 OG1 THR A 2 -18.214 8.647 -1.602 1.00 0.00 O ATOM 26 CG2 THR A 2 -19.463 6.886 -0.531 1.00 0.00 C ATOM 0 H THR A 2 -17.914 9.901 0.060 1.00 0.00 H new ATOM 0 HA THR A 2 -17.809 7.225 1.332 1.00 0.00 H new ATOM 0 HB THR A 2 -17.456 6.757 -1.294 1.00 0.00 H new ATOM 0 HG1 THR A 2 -18.627 8.400 -2.456 1.00 0.00 H new ATOM 0 HG21 THR A 2 -19.921 6.611 -1.481 1.00 0.00 H new ATOM 0 HG22 THR A 2 -19.361 5.999 0.094 1.00 0.00 H new ATOM 0 HG23 THR A 2 -20.092 7.617 -0.023 1.00 0.00 H new ATOM 34 N ASP A 3 -15.297 7.134 1.421 1.00 0.00 N ATOM 35 CA ASP A 3 -13.816 6.967 1.378 1.00 0.00 C ATOM 36 C ASP A 3 -13.469 5.481 1.256 1.00 0.00 C ATOM 37 O ASP A 3 -13.778 4.688 2.123 1.00 0.00 O ATOM 38 CB ASP A 3 -13.204 7.526 2.664 1.00 0.00 C ATOM 39 CG ASP A 3 -11.752 7.931 2.405 1.00 0.00 C ATOM 40 OD1 ASP A 3 -11.196 7.475 1.418 1.00 0.00 O ATOM 41 OD2 ASP A 3 -11.219 8.691 3.198 1.00 0.00 O ATOM 0 H ASP A 3 -15.753 6.754 2.251 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.417 7.504 0.518 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.777 8.387 3.007 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.248 6.778 3.455 1.00 0.00 H new ATOM 46 N LEU A 4 -12.823 5.098 0.188 1.00 0.00 N ATOM 47 CA LEU A 4 -12.451 3.665 0.015 1.00 0.00 C ATOM 48 C LEU A 4 -11.374 3.294 1.038 1.00 0.00 C ATOM 49 O LEU A 4 -11.030 2.141 1.205 1.00 0.00 O ATOM 50 CB LEU A 4 -11.907 3.446 -1.399 1.00 0.00 C ATOM 51 CG LEU A 4 -12.887 4.033 -2.418 1.00 0.00 C ATOM 52 CD1 LEU A 4 -12.232 4.054 -3.801 1.00 0.00 C ATOM 53 CD2 LEU A 4 -14.149 3.170 -2.464 1.00 0.00 C ATOM 0 H LEU A 4 -12.537 5.715 -0.572 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.330 3.039 0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.931 3.920 -1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -11.766 2.381 -1.585 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.152 5.049 -2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.929 4.472 -4.527 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.332 4.667 -3.768 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.968 3.038 -4.094 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.848 3.586 -3.189 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -13.885 2.154 -2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -14.615 3.154 -1.479 1.00 0.00 H new ATOM 65 N PHE A 5 -10.840 4.268 1.724 1.00 0.00 N ATOM 66 CA PHE A 5 -9.786 3.986 2.738 1.00 0.00 C ATOM 67 C PHE A 5 -10.434 3.646 4.078 1.00 0.00 C ATOM 68 O PHE A 5 -9.794 3.685 5.110 1.00 0.00 O ATOM 69 CB PHE A 5 -8.889 5.214 2.898 1.00 0.00 C ATOM 70 CG PHE A 5 -7.733 5.130 1.928 1.00 0.00 C ATOM 71 CD1 PHE A 5 -7.790 4.267 0.829 1.00 0.00 C ATOM 72 CD2 PHE A 5 -6.599 5.918 2.126 1.00 0.00 C ATOM 73 CE1 PHE A 5 -6.711 4.199 -0.064 1.00 0.00 C ATOM 74 CE2 PHE A 5 -5.534 5.846 1.224 1.00 0.00 C ATOM 75 CZ PHE A 5 -5.584 4.993 0.138 1.00 0.00 C ATOM 0 H PHE A 5 -11.090 5.252 1.624 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.186 3.139 2.406 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.464 6.122 2.716 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.515 5.273 3.920 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -8.664 3.654 0.668 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.544 6.583 2.975 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.754 3.530 -0.910 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.662 6.464 1.377 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.754 4.942 -0.551 1.00 0.00 H new ATOM 85 N SER A 6 -11.700 3.322 4.071 1.00 0.00 N ATOM 86 CA SER A 6 -12.394 2.977 5.345 1.00 0.00 C ATOM 87 C SER A 6 -11.510 2.036 6.166 1.00 0.00 C ATOM 88 O SER A 6 -10.468 1.601 5.719 1.00 0.00 O ATOM 89 CB SER A 6 -13.721 2.283 5.030 1.00 0.00 C ATOM 90 OG SER A 6 -14.584 3.199 4.369 1.00 0.00 O ATOM 0 H SER A 6 -12.284 3.282 3.236 1.00 0.00 H new ATOM 0 HA SER A 6 -12.585 3.887 5.914 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.548 1.410 4.401 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.185 1.926 5.949 1.00 0.00 H new ATOM 0 HG SER A 6 -14.132 3.563 3.580 1.00 0.00 H new ATOM 96 N SER A 7 -11.912 1.710 7.364 1.00 0.00 N ATOM 97 CA SER A 7 -11.077 0.804 8.201 1.00 0.00 C ATOM 98 C SER A 7 -10.632 -0.396 7.356 1.00 0.00 C ATOM 99 O SER A 7 -11.413 -1.286 7.090 1.00 0.00 O ATOM 100 CB SER A 7 -11.904 0.308 9.387 1.00 0.00 C ATOM 101 OG SER A 7 -12.739 -0.761 8.963 1.00 0.00 O ATOM 0 H SER A 7 -12.778 2.030 7.797 1.00 0.00 H new ATOM 0 HA SER A 7 -10.202 1.342 8.565 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.246 -0.025 10.190 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.510 1.121 9.788 1.00 0.00 H new ATOM 0 HG SER A 7 -12.631 -0.898 7.999 1.00 0.00 H new ATOM 107 N PRO A 8 -9.383 -0.375 6.950 1.00 0.00 N ATOM 108 CA PRO A 8 -8.801 -1.444 6.121 1.00 0.00 C ATOM 109 C PRO A 8 -8.526 -2.686 6.968 1.00 0.00 C ATOM 110 O PRO A 8 -8.550 -2.638 8.182 1.00 0.00 O ATOM 111 CB PRO A 8 -7.499 -0.832 5.597 1.00 0.00 C ATOM 112 CG PRO A 8 -7.128 0.304 6.578 1.00 0.00 C ATOM 113 CD PRO A 8 -8.430 0.704 7.294 1.00 0.00 C ATOM 0 HA PRO A 8 -9.461 -1.769 5.316 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.708 -1.581 5.552 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.630 -0.446 4.586 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.378 -0.031 7.295 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.702 1.154 6.045 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.285 0.778 8.372 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.789 1.675 6.954 1.00 0.00 H new ATOM 121 N ASP A 9 -8.258 -3.795 6.340 1.00 0.00 N ATOM 122 CA ASP A 9 -7.975 -5.034 7.113 1.00 0.00 C ATOM 123 C ASP A 9 -6.549 -4.966 7.659 1.00 0.00 C ATOM 124 O ASP A 9 -6.207 -5.626 8.620 1.00 0.00 O ATOM 125 CB ASP A 9 -8.113 -6.251 6.198 1.00 0.00 C ATOM 126 CG ASP A 9 -9.543 -6.326 5.656 1.00 0.00 C ATOM 127 OD1 ASP A 9 -10.402 -5.662 6.214 1.00 0.00 O ATOM 128 OD2 ASP A 9 -9.755 -7.045 4.695 1.00 0.00 O ATOM 0 H ASP A 9 -8.223 -3.897 5.326 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.682 -5.122 7.938 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.404 -6.181 5.373 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.873 -7.161 6.748 1.00 0.00 H new ATOM 133 N HIS A 10 -5.712 -4.173 7.046 1.00 0.00 N ATOM 134 CA HIS A 10 -4.304 -4.062 7.515 1.00 0.00 C ATOM 135 C HIS A 10 -3.794 -2.644 7.252 1.00 0.00 C ATOM 136 O HIS A 10 -4.476 -1.837 6.663 1.00 0.00 O ATOM 137 CB HIS A 10 -3.451 -5.055 6.734 1.00 0.00 C ATOM 138 CG HIS A 10 -3.596 -6.426 7.333 1.00 0.00 C ATOM 139 ND1 HIS A 10 -4.665 -7.283 7.404 1.00 0.00 N flip ATOM 140 CD2 HIS A 10 -2.545 -7.076 7.960 1.00 0.00 C flip ATOM 141 CE1 HIS A 10 -4.287 -8.449 8.063 1.00 0.00 C flip ATOM 142 NE2 HIS A 10 -3.000 -8.272 8.377 1.00 0.00 N flip ATOM 0 H HIS A 10 -5.945 -3.596 6.238 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.247 -4.277 8.582 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.758 -5.070 5.688 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.406 -4.747 6.755 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -1.544 -6.693 8.090 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -4.901 -9.311 8.275 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -2.432 -8.959 8.872 1.00 0.00 H new ATOM 150 N THR A 11 -2.598 -2.331 7.682 1.00 0.00 N ATOM 151 CA THR A 11 -2.051 -0.967 7.441 1.00 0.00 C ATOM 152 C THR A 11 -0.538 -1.060 7.217 1.00 0.00 C ATOM 153 O THR A 11 0.094 -2.033 7.580 1.00 0.00 O ATOM 154 CB THR A 11 -2.319 -0.099 8.662 1.00 0.00 C ATOM 155 OG1 THR A 11 -3.704 -0.139 8.979 1.00 0.00 O ATOM 156 CG2 THR A 11 -1.896 1.346 8.377 1.00 0.00 C ATOM 0 H THR A 11 -1.979 -2.963 8.189 1.00 0.00 H new ATOM 0 HA THR A 11 -2.528 -0.531 6.563 1.00 0.00 H new ATOM 0 HB THR A 11 -1.743 -0.479 9.506 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.876 0.419 9.766 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.091 1.962 9.255 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.832 1.374 8.143 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.464 1.731 7.530 1.00 0.00 H new ATOM 164 N LEU A 12 0.050 -0.051 6.634 1.00 0.00 N ATOM 165 CA LEU A 12 1.525 -0.077 6.403 1.00 0.00 C ATOM 166 C LEU A 12 2.091 1.333 6.498 1.00 0.00 C ATOM 167 O LEU A 12 1.919 2.133 5.609 1.00 0.00 O ATOM 168 CB LEU A 12 1.834 -0.612 5.004 1.00 0.00 C ATOM 169 CG LEU A 12 3.301 -0.281 4.622 1.00 0.00 C ATOM 170 CD1 LEU A 12 4.217 -0.505 5.829 1.00 0.00 C ATOM 171 CD2 LEU A 12 3.754 -1.207 3.499 1.00 0.00 C ATOM 0 H LEU A 12 -0.426 0.790 6.307 1.00 0.00 H new ATOM 0 HA LEU A 12 1.974 -0.721 7.159 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.676 -1.690 4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.152 -0.170 4.278 1.00 0.00 H new ATOM 0 HG LEU A 12 3.355 0.760 4.302 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.245 -0.271 5.554 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.904 0.142 6.648 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.154 -1.546 6.145 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.785 -0.975 3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.690 -2.243 3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.112 -1.066 2.630 1.00 0.00 H new ATOM 183 N ASP A 13 2.812 1.628 7.532 1.00 0.00 N ATOM 184 CA ASP A 13 3.426 2.974 7.621 1.00 0.00 C ATOM 185 C ASP A 13 4.612 2.993 6.658 1.00 0.00 C ATOM 186 O ASP A 13 5.404 2.073 6.631 1.00 0.00 O ATOM 187 CB ASP A 13 3.911 3.232 9.049 1.00 0.00 C ATOM 188 CG ASP A 13 4.758 4.506 9.077 1.00 0.00 C ATOM 189 OD1 ASP A 13 5.947 4.410 8.821 1.00 0.00 O ATOM 190 OD2 ASP A 13 4.203 5.557 9.353 1.00 0.00 O ATOM 0 H ASP A 13 3.003 1.003 8.315 1.00 0.00 H new ATOM 0 HA ASP A 13 2.703 3.748 7.362 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.059 3.334 9.721 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.497 2.385 9.404 1.00 0.00 H new ATOM 195 N ALA A 14 4.765 4.022 5.876 1.00 0.00 N ATOM 196 CA ALA A 14 5.925 4.057 4.944 1.00 0.00 C ATOM 197 C ALA A 14 6.458 5.487 4.929 1.00 0.00 C ATOM 198 O ALA A 14 7.213 5.932 4.061 1.00 0.00 O ATOM 199 CB ALA A 14 5.506 3.570 3.568 1.00 0.00 C ATOM 0 H ALA A 14 4.146 4.832 5.840 1.00 0.00 H new ATOM 0 HA ALA A 14 6.721 3.388 5.271 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.363 3.600 2.895 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.138 2.547 3.641 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.716 4.213 3.179 1.00 0.00 H new ATOM 205 N LEU A 15 6.074 6.186 5.950 1.00 0.00 N ATOM 206 CA LEU A 15 6.527 7.558 6.163 1.00 0.00 C ATOM 207 C LEU A 15 7.920 7.459 6.752 1.00 0.00 C ATOM 208 O LEU A 15 8.111 7.083 7.891 1.00 0.00 O ATOM 209 CB LEU A 15 5.605 8.245 7.144 1.00 0.00 C ATOM 210 CG LEU A 15 4.156 7.843 6.873 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.251 8.428 7.956 1.00 0.00 C ATOM 212 CD2 LEU A 15 3.740 8.389 5.513 1.00 0.00 C ATOM 0 H LEU A 15 5.439 5.838 6.668 1.00 0.00 H new ATOM 0 HA LEU A 15 6.528 8.130 5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.881 7.976 8.164 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.712 9.326 7.060 1.00 0.00 H new ATOM 0 HG LEU A 15 4.066 6.757 6.880 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.218 8.140 7.761 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.556 8.047 8.930 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.332 9.515 7.950 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.707 8.108 5.309 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.827 9.476 5.515 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.388 7.975 4.741 1.00 0.00 H new ATOM 224 N GLY A 16 8.887 7.734 5.958 1.00 0.00 N ATOM 225 CA GLY A 16 10.293 7.602 6.413 1.00 0.00 C ATOM 226 C GLY A 16 10.812 6.253 5.907 1.00 0.00 C ATOM 227 O GLY A 16 11.963 5.907 6.082 1.00 0.00 O ATOM 0 H GLY A 16 8.773 8.051 4.995 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.901 8.418 6.023 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.351 7.653 7.500 1.00 0.00 H new ATOM 231 N LEU A 17 9.958 5.499 5.252 1.00 0.00 N ATOM 232 CA LEU A 17 10.367 4.192 4.699 1.00 0.00 C ATOM 233 C LEU A 17 10.736 4.411 3.265 1.00 0.00 C ATOM 234 O LEU A 17 10.173 5.247 2.602 1.00 0.00 O ATOM 235 CB LEU A 17 9.201 3.212 4.717 1.00 0.00 C ATOM 236 CG LEU A 17 8.807 2.852 6.141 1.00 0.00 C ATOM 237 CD1 LEU A 17 8.267 1.431 6.133 1.00 0.00 C ATOM 238 CD2 LEU A 17 10.016 2.909 7.058 1.00 0.00 C ATOM 0 H LEU A 17 8.984 5.749 5.081 1.00 0.00 H new ATOM 0 HA LEU A 17 11.190 3.791 5.290 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.347 3.649 4.200 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.474 2.308 4.173 1.00 0.00 H new ATOM 0 HG LEU A 17 8.059 3.558 6.502 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.976 1.147 7.144 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.399 1.375 5.477 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.038 0.751 5.772 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.716 2.649 8.073 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.770 2.203 6.710 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.432 3.917 7.050 1.00 0.00 H new ATOM 250 N ARG A 18 11.644 3.669 2.756 1.00 0.00 N ATOM 251 CA ARG A 18 11.983 3.874 1.341 1.00 0.00 C ATOM 252 C ARG A 18 12.271 2.539 0.695 1.00 0.00 C ATOM 253 O ARG A 18 12.737 1.619 1.333 1.00 0.00 O ATOM 254 CB ARG A 18 13.171 4.806 1.231 1.00 0.00 C ATOM 255 CG ARG A 18 14.210 4.452 2.296 1.00 0.00 C ATOM 256 CD ARG A 18 15.578 4.990 1.874 1.00 0.00 C ATOM 257 NE ARG A 18 16.264 5.584 3.056 1.00 0.00 N ATOM 258 CZ ARG A 18 17.361 5.045 3.513 1.00 0.00 C ATOM 259 NH1 ARG A 18 17.472 3.746 3.575 1.00 0.00 N ATOM 260 NH2 ARG A 18 18.345 5.804 3.908 1.00 0.00 N ATOM 0 H ARG A 18 12.163 2.939 3.243 1.00 0.00 H new ATOM 0 HA ARG A 18 11.143 4.333 0.819 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.614 4.729 0.238 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.847 5.839 1.356 1.00 0.00 H new ATOM 0 HG2 ARG A 18 13.921 4.878 3.257 1.00 0.00 H new ATOM 0 HG3 ARG A 18 14.257 3.371 2.428 1.00 0.00 H new ATOM 0 HD2 ARG A 18 16.183 4.186 1.455 1.00 0.00 H new ATOM 0 HD3 ARG A 18 15.460 5.741 1.093 1.00 0.00 H new ATOM 0 HE ARG A 18 15.876 6.412 3.508 1.00 0.00 H new ATOM 0 HH11 ARG A 18 16.702 3.153 3.266 1.00 0.00 H new ATOM 0 HH12 ARG A 18 18.329 3.324 3.932 1.00 0.00 H new ATOM 0 HH21 ARG A 18 18.257 6.819 3.860 1.00 0.00 H new ATOM 0 HH22 ARG A 18 19.202 5.383 4.265 1.00 0.00 H new ATOM 274 N CYS A 19 11.992 2.420 -0.555 1.00 0.00 N ATOM 275 CA CYS A 19 12.235 1.118 -1.232 1.00 0.00 C ATOM 276 C CYS A 19 13.626 0.627 -0.862 1.00 0.00 C ATOM 277 O CYS A 19 14.551 1.409 -0.773 1.00 0.00 O ATOM 278 CB CYS A 19 12.132 1.305 -2.743 1.00 0.00 C ATOM 279 SG CYS A 19 12.787 -0.153 -3.594 1.00 0.00 S ATOM 0 H CYS A 19 11.607 3.158 -1.145 1.00 0.00 H new ATOM 0 HA CYS A 19 11.493 0.385 -0.915 1.00 0.00 H new ATOM 0 HB2 CYS A 19 11.092 1.466 -3.028 1.00 0.00 H new ATOM 0 HB3 CYS A 19 12.687 2.193 -3.046 1.00 0.00 H new ATOM 0 HG CYS A 19 12.693 0.016 -4.880 1.00 0.00 H new ATOM 285 N PRO A 20 13.742 -0.659 -0.663 1.00 0.00 N ATOM 286 CA PRO A 20 12.625 -1.631 -0.767 1.00 0.00 C ATOM 287 C PRO A 20 11.883 -1.790 0.574 1.00 0.00 C ATOM 288 O PRO A 20 11.031 -2.635 0.711 1.00 0.00 O ATOM 289 CB PRO A 20 13.343 -2.942 -1.073 1.00 0.00 C ATOM 290 CG PRO A 20 14.782 -2.784 -0.517 1.00 0.00 C ATOM 291 CD PRO A 20 15.036 -1.279 -0.340 1.00 0.00 C ATOM 0 HA PRO A 20 11.885 -1.324 -1.506 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.834 -3.784 -0.604 1.00 0.00 H new ATOM 0 HB3 PRO A 20 13.359 -3.137 -2.145 1.00 0.00 H new ATOM 0 HG2 PRO A 20 14.887 -3.307 0.434 1.00 0.00 H new ATOM 0 HG3 PRO A 20 15.509 -3.219 -1.202 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.348 -1.044 0.678 1.00 0.00 H new ATOM 0 HD3 PRO A 20 15.825 -0.926 -1.005 1.00 0.00 H new ATOM 299 N GLU A 21 12.259 -1.046 1.573 1.00 0.00 N ATOM 300 CA GLU A 21 11.634 -1.205 2.938 1.00 0.00 C ATOM 301 C GLU A 21 10.104 -1.161 2.942 1.00 0.00 C ATOM 302 O GLU A 21 9.481 -2.001 3.555 1.00 0.00 O ATOM 303 CB GLU A 21 12.157 -0.126 3.875 1.00 0.00 C ATOM 304 CG GLU A 21 13.453 -0.601 4.534 1.00 0.00 C ATOM 305 CD GLU A 21 13.143 -1.181 5.915 1.00 0.00 C ATOM 306 OE1 GLU A 21 12.387 -0.557 6.641 1.00 0.00 O ATOM 307 OE2 GLU A 21 13.664 -2.240 6.222 1.00 0.00 O ATOM 0 H GLU A 21 12.978 -0.325 1.514 1.00 0.00 H new ATOM 0 HA GLU A 21 11.920 -2.201 3.276 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.336 0.795 3.321 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.411 0.100 4.637 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.934 -1.355 3.911 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.152 0.230 4.626 1.00 0.00 H new ATOM 314 N PRO A 22 9.541 -0.197 2.292 1.00 0.00 N ATOM 315 CA PRO A 22 8.082 -0.045 2.249 1.00 0.00 C ATOM 316 C PRO A 22 7.512 -1.180 1.430 1.00 0.00 C ATOM 317 O PRO A 22 6.803 -2.032 1.925 1.00 0.00 O ATOM 318 CB PRO A 22 7.884 1.316 1.592 1.00 0.00 C ATOM 319 CG PRO A 22 9.192 1.636 0.841 1.00 0.00 C ATOM 320 CD PRO A 22 10.285 0.794 1.512 1.00 0.00 C ATOM 0 HA PRO A 22 7.582 -0.084 3.217 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.038 1.295 0.905 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.669 2.080 2.339 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.104 1.389 -0.217 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.426 2.699 0.902 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.931 0.318 0.774 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.925 1.405 2.149 1.00 0.00 H new ATOM 328 N VAL A 23 7.865 -1.226 0.192 1.00 0.00 N ATOM 329 CA VAL A 23 7.404 -2.345 -0.658 1.00 0.00 C ATOM 330 C VAL A 23 7.633 -3.646 0.113 1.00 0.00 C ATOM 331 O VAL A 23 6.964 -4.638 -0.101 1.00 0.00 O ATOM 332 CB VAL A 23 8.251 -2.379 -1.923 1.00 0.00 C ATOM 333 CG1 VAL A 23 7.941 -3.650 -2.714 1.00 0.00 C ATOM 334 CG2 VAL A 23 7.944 -1.149 -2.778 1.00 0.00 C ATOM 0 H VAL A 23 8.455 -0.537 -0.274 1.00 0.00 H new ATOM 0 HA VAL A 23 6.351 -2.225 -0.915 1.00 0.00 H new ATOM 0 HB VAL A 23 9.307 -2.374 -1.653 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.548 -3.673 -3.619 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.168 -4.523 -2.103 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.885 -3.661 -2.985 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.551 -1.174 -3.683 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.888 -1.148 -3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.174 -0.246 -2.212 1.00 0.00 H new ATOM 344 N MET A 24 8.588 -3.646 1.014 1.00 0.00 N ATOM 345 CA MET A 24 8.870 -4.883 1.800 1.00 0.00 C ATOM 346 C MET A 24 7.773 -5.092 2.841 1.00 0.00 C ATOM 347 O MET A 24 7.286 -6.189 3.034 1.00 0.00 O ATOM 348 CB MET A 24 10.217 -4.741 2.508 1.00 0.00 C ATOM 349 CG MET A 24 11.329 -5.278 1.605 1.00 0.00 C ATOM 350 SD MET A 24 12.915 -5.163 2.470 1.00 0.00 S ATOM 351 CE MET A 24 13.399 -6.897 2.291 1.00 0.00 C ATOM 0 H MET A 24 9.180 -2.845 1.236 1.00 0.00 H new ATOM 0 HA MET A 24 8.899 -5.739 1.126 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.404 -3.695 2.750 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.204 -5.288 3.451 1.00 0.00 H new ATOM 0 HG2 MET A 24 11.124 -6.314 1.334 1.00 0.00 H new ATOM 0 HG3 MET A 24 11.366 -4.707 0.677 1.00 0.00 H new ATOM 0 HE1 MET A 24 14.369 -7.055 2.763 1.00 0.00 H new ATOM 0 HE2 MET A 24 12.655 -7.534 2.769 1.00 0.00 H new ATOM 0 HE3 MET A 24 13.465 -7.149 1.233 1.00 0.00 H new ATOM 361 N MET A 25 7.377 -4.050 3.514 1.00 0.00 N ATOM 362 CA MET A 25 6.312 -4.193 4.539 1.00 0.00 C ATOM 363 C MET A 25 5.048 -4.715 3.869 1.00 0.00 C ATOM 364 O MET A 25 4.397 -5.598 4.375 1.00 0.00 O ATOM 365 CB MET A 25 6.035 -2.838 5.183 1.00 0.00 C ATOM 366 CG MET A 25 6.933 -2.661 6.408 1.00 0.00 C ATOM 367 SD MET A 25 8.318 -1.576 5.993 1.00 0.00 S ATOM 368 CE MET A 25 9.583 -2.452 6.946 1.00 0.00 C ATOM 0 H MET A 25 7.745 -3.106 3.398 1.00 0.00 H new ATOM 0 HA MET A 25 6.633 -4.893 5.311 1.00 0.00 H new ATOM 0 HB2 MET A 25 6.219 -2.038 4.466 1.00 0.00 H new ATOM 0 HB3 MET A 25 4.987 -2.770 5.475 1.00 0.00 H new ATOM 0 HG2 MET A 25 6.360 -2.237 7.233 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.304 -3.630 6.742 1.00 0.00 H new ATOM 0 HE1 MET A 25 10.250 -1.729 7.415 1.00 0.00 H new ATOM 0 HE2 MET A 25 9.104 -3.057 7.716 1.00 0.00 H new ATOM 0 HE3 MET A 25 10.157 -3.098 6.281 1.00 0.00 H new ATOM 378 N VAL A 26 4.700 -4.190 2.728 1.00 0.00 N ATOM 379 CA VAL A 26 3.480 -4.701 2.038 1.00 0.00 C ATOM 380 C VAL A 26 3.713 -6.162 1.678 1.00 0.00 C ATOM 381 O VAL A 26 2.791 -6.923 1.530 1.00 0.00 O ATOM 382 CB VAL A 26 3.223 -3.921 0.751 1.00 0.00 C ATOM 383 CG1 VAL A 26 2.041 -4.545 0.002 1.00 0.00 C ATOM 384 CG2 VAL A 26 2.879 -2.474 1.073 1.00 0.00 C ATOM 0 H VAL A 26 5.198 -3.440 2.248 1.00 0.00 H new ATOM 0 HA VAL A 26 2.621 -4.587 2.699 1.00 0.00 H new ATOM 0 HB VAL A 26 4.123 -3.956 0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.858 -3.988 -0.917 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.272 -5.582 -0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.152 -4.510 0.631 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.698 -1.928 0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.984 -2.442 1.694 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.709 -2.013 1.609 1.00 0.00 H new ATOM 394 N ARG A 27 4.949 -6.551 1.525 1.00 0.00 N ATOM 395 CA ARG A 27 5.250 -7.972 1.172 1.00 0.00 C ATOM 396 C ARG A 27 4.834 -8.874 2.323 1.00 0.00 C ATOM 397 O ARG A 27 4.016 -9.745 2.177 1.00 0.00 O ATOM 398 CB ARG A 27 6.751 -8.163 0.955 1.00 0.00 C ATOM 399 CG ARG A 27 7.031 -8.491 -0.512 1.00 0.00 C ATOM 400 CD ARG A 27 7.349 -9.979 -0.648 1.00 0.00 C ATOM 401 NE ARG A 27 8.453 -10.164 -1.631 1.00 0.00 N ATOM 402 CZ ARG A 27 9.248 -11.196 -1.535 1.00 0.00 C ATOM 403 NH1 ARG A 27 8.755 -12.404 -1.558 1.00 0.00 N ATOM 404 NH2 ARG A 27 10.535 -11.019 -1.416 1.00 0.00 N ATOM 0 H ARG A 27 5.765 -5.948 1.629 1.00 0.00 H new ATOM 0 HA ARG A 27 4.707 -8.221 0.260 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.286 -7.258 1.242 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.119 -8.967 1.592 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.166 -8.235 -1.125 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.867 -7.894 -0.876 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.637 -10.390 0.320 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.462 -10.523 -0.974 1.00 0.00 H new ATOM 0 HE ARG A 27 8.588 -9.484 -2.379 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.749 -12.542 -1.651 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.376 -13.210 -1.483 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.920 -10.075 -1.398 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.156 -11.825 -1.341 1.00 0.00 H new ATOM 418 N LYS A 28 5.416 -8.658 3.463 1.00 0.00 N ATOM 419 CA LYS A 28 5.097 -9.490 4.663 1.00 0.00 C ATOM 420 C LYS A 28 3.611 -9.369 4.969 1.00 0.00 C ATOM 421 O LYS A 28 2.948 -10.332 5.282 1.00 0.00 O ATOM 422 CB LYS A 28 5.907 -8.992 5.861 1.00 0.00 C ATOM 423 CG LYS A 28 7.388 -9.315 5.649 1.00 0.00 C ATOM 424 CD LYS A 28 7.920 -10.089 6.856 1.00 0.00 C ATOM 425 CE LYS A 28 8.259 -9.109 7.981 1.00 0.00 C ATOM 426 NZ LYS A 28 9.677 -9.300 8.396 1.00 0.00 N ATOM 0 H LYS A 28 6.112 -7.929 3.623 1.00 0.00 H new ATOM 0 HA LYS A 28 5.350 -10.532 4.466 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.773 -7.917 5.982 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.549 -9.463 6.776 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.516 -9.904 4.741 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.956 -8.395 5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.175 -10.808 7.198 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.807 -10.658 6.575 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.102 -8.084 7.644 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.595 -9.270 8.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.908 -8.634 9.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.812 -10.275 8.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.303 -9.125 7.584 1.00 0.00 H new ATOM 440 N THR A 29 3.093 -8.186 4.850 1.00 0.00 N ATOM 441 CA THR A 29 1.646 -7.951 5.086 1.00 0.00 C ATOM 442 C THR A 29 0.886 -8.731 4.025 1.00 0.00 C ATOM 443 O THR A 29 -0.157 -9.303 4.262 1.00 0.00 O ATOM 444 CB THR A 29 1.410 -6.446 4.929 1.00 0.00 C ATOM 445 OG1 THR A 29 1.548 -5.810 6.191 1.00 0.00 O ATOM 446 CG2 THR A 29 0.029 -6.138 4.342 1.00 0.00 C ATOM 0 H THR A 29 3.622 -7.353 4.593 1.00 0.00 H new ATOM 0 HA THR A 29 1.316 -8.272 6.074 1.00 0.00 H new ATOM 0 HB THR A 29 2.155 -6.063 4.232 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.399 -4.847 6.090 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.094 -5.059 4.249 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.060 -6.600 3.359 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.743 -6.536 5.001 1.00 0.00 H new ATOM 454 N VAL A 30 1.448 -8.773 2.861 1.00 0.00 N ATOM 455 CA VAL A 30 0.833 -9.523 1.744 1.00 0.00 C ATOM 456 C VAL A 30 0.923 -11.002 2.109 1.00 0.00 C ATOM 457 O VAL A 30 0.102 -11.814 1.726 1.00 0.00 O ATOM 458 CB VAL A 30 1.652 -9.244 0.474 1.00 0.00 C ATOM 459 CG1 VAL A 30 1.472 -10.373 -0.524 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.212 -7.933 -0.184 1.00 0.00 C ATOM 0 H VAL A 30 2.327 -8.309 2.630 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.204 -9.234 1.571 1.00 0.00 H new ATOM 0 HB VAL A 30 2.700 -9.167 0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.057 -10.164 -1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.811 -11.309 -0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.419 -10.458 -0.791 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.807 -7.758 -1.081 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.158 -7.997 -0.455 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.358 -7.109 0.514 1.00 0.00 H new ATOM 470 N ARG A 31 1.927 -11.337 2.868 1.00 0.00 N ATOM 471 CA ARG A 31 2.122 -12.741 3.308 1.00 0.00 C ATOM 472 C ARG A 31 1.126 -13.043 4.422 1.00 0.00 C ATOM 473 O ARG A 31 0.686 -14.163 4.591 1.00 0.00 O ATOM 474 CB ARG A 31 3.541 -12.910 3.852 1.00 0.00 C ATOM 475 CG ARG A 31 4.560 -12.629 2.742 1.00 0.00 C ATOM 476 CD ARG A 31 5.921 -13.206 3.131 1.00 0.00 C ATOM 477 NE ARG A 31 5.789 -14.669 3.376 1.00 0.00 N ATOM 478 CZ ARG A 31 6.689 -15.298 4.082 1.00 0.00 C ATOM 479 NH1 ARG A 31 7.873 -14.772 4.244 1.00 0.00 N ATOM 480 NH2 ARG A 31 6.406 -16.450 4.624 1.00 0.00 N ATOM 0 H ARG A 31 2.633 -10.683 3.207 1.00 0.00 H new ATOM 0 HA ARG A 31 1.970 -13.419 2.468 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.703 -12.229 4.688 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.676 -13.922 4.234 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.222 -13.071 1.805 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.644 -11.555 2.576 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.646 -13.023 2.337 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.296 -12.709 4.026 1.00 0.00 H new ATOM 0 HE ARG A 31 4.994 -15.180 2.992 1.00 0.00 H new ATOM 0 HH11 ARG A 31 8.093 -13.871 3.819 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.578 -15.262 4.795 1.00 0.00 H new ATOM 0 HH21 ARG A 31 5.481 -16.860 4.496 1.00 0.00 H new ATOM 0 HH22 ARG A 31 7.110 -16.941 5.175 1.00 0.00 H new ATOM 494 N ASN A 32 0.764 -12.047 5.186 1.00 0.00 N ATOM 495 CA ASN A 32 -0.208 -12.283 6.288 1.00 0.00 C ATOM 496 C ASN A 32 -1.591 -11.795 5.856 1.00 0.00 C ATOM 497 O ASN A 32 -2.535 -11.818 6.620 1.00 0.00 O ATOM 498 CB ASN A 32 0.240 -11.538 7.551 1.00 0.00 C ATOM 499 CG ASN A 32 0.172 -10.023 7.329 1.00 0.00 C ATOM 500 OD1 ASN A 32 -0.607 -9.545 6.529 1.00 0.00 O ATOM 501 ND2 ASN A 32 0.962 -9.242 8.014 1.00 0.00 N ATOM 0 H ASN A 32 1.098 -11.087 5.094 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.253 -13.349 6.509 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.396 -11.818 8.391 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.258 -11.829 7.811 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.925 -8.232 7.877 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.617 -9.642 8.686 1.00 0.00 H new ATOM 508 N MET A 33 -1.719 -11.358 4.631 1.00 0.00 N ATOM 509 CA MET A 33 -3.041 -10.875 4.151 1.00 0.00 C ATOM 510 C MET A 33 -3.791 -12.014 3.462 1.00 0.00 C ATOM 511 O MET A 33 -3.307 -13.122 3.353 1.00 0.00 O ATOM 512 CB MET A 33 -2.852 -9.731 3.151 1.00 0.00 C ATOM 513 CG MET A 33 -2.852 -8.395 3.896 1.00 0.00 C ATOM 514 SD MET A 33 -3.541 -7.110 2.826 1.00 0.00 S ATOM 515 CE MET A 33 -5.241 -7.737 2.783 1.00 0.00 C ATOM 0 H MET A 33 -0.965 -11.316 3.945 1.00 0.00 H new ATOM 0 HA MET A 33 -3.613 -10.520 5.008 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.914 -9.858 2.611 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.651 -9.746 2.410 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.440 -8.476 4.810 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.837 -8.131 4.192 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.749 -7.351 1.899 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.226 -8.826 2.746 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.772 -7.412 3.678 1.00 0.00 H new ATOM 525 N GLN A 34 -4.973 -11.735 2.996 1.00 0.00 N ATOM 526 CA GLN A 34 -5.783 -12.771 2.303 1.00 0.00 C ATOM 527 C GLN A 34 -6.463 -12.124 1.098 1.00 0.00 C ATOM 528 O GLN A 34 -6.708 -10.933 1.102 1.00 0.00 O ATOM 529 CB GLN A 34 -6.844 -13.314 3.264 1.00 0.00 C ATOM 530 CG GLN A 34 -6.164 -14.115 4.375 1.00 0.00 C ATOM 531 CD GLN A 34 -6.018 -13.239 5.621 1.00 0.00 C ATOM 532 OE1 GLN A 34 -4.931 -13.078 6.140 1.00 0.00 O ATOM 533 NE2 GLN A 34 -7.075 -12.664 6.127 1.00 0.00 N ATOM 0 H GLN A 34 -5.419 -10.820 3.067 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.146 -13.593 1.976 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.417 -12.492 3.692 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.549 -13.946 2.724 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.751 -15.003 4.609 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.185 -14.459 4.043 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.987 -12.799 5.691 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.989 -12.079 6.958 1.00 0.00 H new ATOM 542 N PRO A 35 -6.749 -12.914 0.100 1.00 0.00 N ATOM 543 CA PRO A 35 -7.404 -12.416 -1.116 1.00 0.00 C ATOM 544 C PRO A 35 -8.851 -12.054 -0.804 1.00 0.00 C ATOM 545 O PRO A 35 -9.633 -12.865 -0.350 1.00 0.00 O ATOM 546 CB PRO A 35 -7.293 -13.581 -2.099 1.00 0.00 C ATOM 547 CG PRO A 35 -7.068 -14.849 -1.241 1.00 0.00 C ATOM 548 CD PRO A 35 -6.477 -14.365 0.099 1.00 0.00 C ATOM 0 HA PRO A 35 -6.953 -11.512 -1.524 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.199 -13.672 -2.699 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.466 -13.428 -2.792 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.005 -15.383 -1.083 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.388 -15.540 -1.739 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.949 -14.861 0.947 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.409 -14.572 0.163 1.00 0.00 H new ATOM 556 N GLY A 36 -9.184 -10.818 -1.005 1.00 0.00 N ATOM 557 CA GLY A 36 -10.548 -10.335 -0.688 1.00 0.00 C ATOM 558 C GLY A 36 -10.433 -9.449 0.548 1.00 0.00 C ATOM 559 O GLY A 36 -11.391 -9.217 1.257 1.00 0.00 O ATOM 0 H GLY A 36 -8.557 -10.108 -1.383 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.963 -9.775 -1.526 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.220 -11.173 -0.500 1.00 0.00 H new ATOM 563 N GLU A 37 -9.245 -8.962 0.817 1.00 0.00 N ATOM 564 CA GLU A 37 -9.042 -8.102 2.015 1.00 0.00 C ATOM 565 C GLU A 37 -8.482 -6.748 1.582 1.00 0.00 C ATOM 566 O GLU A 37 -8.352 -6.472 0.407 1.00 0.00 O ATOM 567 CB GLU A 37 -8.057 -8.787 2.960 1.00 0.00 C ATOM 568 CG GLU A 37 -8.822 -9.666 3.950 1.00 0.00 C ATOM 569 CD GLU A 37 -8.489 -9.235 5.380 1.00 0.00 C ATOM 570 OE1 GLU A 37 -7.330 -8.951 5.637 1.00 0.00 O ATOM 571 OE2 GLU A 37 -9.397 -9.195 6.193 1.00 0.00 O ATOM 0 H GLU A 37 -8.409 -9.126 0.255 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.993 -7.950 2.525 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.352 -9.392 2.390 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.474 -8.040 3.497 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.894 -9.582 3.774 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.556 -10.713 3.803 1.00 0.00 H new ATOM 578 N THR A 38 -8.155 -5.895 2.518 1.00 0.00 N ATOM 579 CA THR A 38 -7.615 -4.559 2.139 1.00 0.00 C ATOM 580 C THR A 38 -6.451 -4.169 3.054 1.00 0.00 C ATOM 581 O THR A 38 -6.319 -4.653 4.161 1.00 0.00 O ATOM 582 CB THR A 38 -8.726 -3.515 2.245 1.00 0.00 C ATOM 583 OG1 THR A 38 -9.624 -3.882 3.284 1.00 0.00 O ATOM 584 CG2 THR A 38 -9.478 -3.446 0.916 1.00 0.00 C ATOM 0 H THR A 38 -8.238 -6.065 3.520 1.00 0.00 H new ATOM 0 HA THR A 38 -7.249 -4.605 1.113 1.00 0.00 H new ATOM 0 HB THR A 38 -8.294 -2.540 2.471 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.336 -3.212 3.353 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.272 -2.703 0.985 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.787 -3.166 0.121 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.912 -4.421 0.692 1.00 0.00 H new ATOM 592 N LEU A 39 -5.603 -3.295 2.582 1.00 0.00 N ATOM 593 CA LEU A 39 -4.431 -2.853 3.391 1.00 0.00 C ATOM 594 C LEU A 39 -4.144 -1.379 3.080 1.00 0.00 C ATOM 595 O LEU A 39 -3.816 -1.027 1.965 1.00 0.00 O ATOM 596 CB LEU A 39 -3.218 -3.702 2.996 1.00 0.00 C ATOM 597 CG LEU A 39 -1.926 -3.074 3.531 1.00 0.00 C ATOM 598 CD1 LEU A 39 -1.622 -3.629 4.918 1.00 0.00 C ATOM 599 CD2 LEU A 39 -0.772 -3.413 2.585 1.00 0.00 C ATOM 0 H LEU A 39 -5.674 -2.864 1.660 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.635 -2.970 4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.329 -4.712 3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.165 -3.788 1.911 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.046 -1.992 3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.703 -3.181 5.296 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.445 -3.393 5.593 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.500 -4.711 4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.149 -2.968 2.961 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.655 -4.495 2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.987 -3.017 1.592 1.00 0.00 H new ATOM 611 N LEU A 40 -4.238 -0.515 4.054 1.00 0.00 N ATOM 612 CA LEU A 40 -3.942 0.920 3.795 1.00 0.00 C ATOM 613 C LEU A 40 -2.439 1.124 3.965 1.00 0.00 C ATOM 614 O LEU A 40 -1.802 0.455 4.753 1.00 0.00 O ATOM 615 CB LEU A 40 -4.701 1.797 4.794 1.00 0.00 C ATOM 616 CG LEU A 40 -4.211 3.241 4.676 1.00 0.00 C ATOM 617 CD1 LEU A 40 -4.686 3.831 3.347 1.00 0.00 C ATOM 618 CD2 LEU A 40 -4.776 4.069 5.831 1.00 0.00 C ATOM 0 H LEU A 40 -4.506 -0.740 5.012 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.253 1.197 2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.772 1.748 4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.545 1.430 5.809 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.122 3.260 4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.338 4.860 3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.284 3.242 2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.775 3.812 3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.426 5.098 5.746 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.865 4.052 5.792 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.440 3.648 6.779 1.00 0.00 H new ATOM 630 N ILE A 41 -1.854 2.005 3.206 1.00 0.00 N ATOM 631 CA ILE A 41 -0.382 2.195 3.309 1.00 0.00 C ATOM 632 C ILE A 41 -0.009 3.667 3.155 1.00 0.00 C ATOM 633 O ILE A 41 -0.284 4.275 2.143 1.00 0.00 O ATOM 634 CB ILE A 41 0.272 1.404 2.176 1.00 0.00 C ATOM 635 CG1 ILE A 41 -0.469 0.066 2.013 1.00 0.00 C ATOM 636 CG2 ILE A 41 1.749 1.168 2.503 1.00 0.00 C ATOM 637 CD1 ILE A 41 0.407 -0.941 1.264 1.00 0.00 C ATOM 0 H ILE A 41 -2.326 2.598 2.524 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.042 1.853 4.286 1.00 0.00 H new ATOM 0 HB ILE A 41 0.211 1.962 1.242 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.735 -0.331 2.993 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.400 0.223 1.469 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.215 0.604 1.695 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.255 2.127 2.615 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.830 0.605 3.433 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.131 -1.883 1.157 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.651 -0.548 0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.327 -1.111 1.824 1.00 0.00 H new ATOM 649 N ILE A 42 0.662 4.244 4.116 1.00 0.00 N ATOM 650 CA ILE A 42 1.073 5.650 3.950 1.00 0.00 C ATOM 651 C ILE A 42 2.515 5.639 3.512 1.00 0.00 C ATOM 652 O ILE A 42 3.206 4.652 3.646 1.00 0.00 O ATOM 653 CB ILE A 42 0.951 6.412 5.257 1.00 0.00 C ATOM 654 CG1 ILE A 42 -0.266 5.903 6.024 1.00 0.00 C ATOM 655 CG2 ILE A 42 0.787 7.909 4.954 1.00 0.00 C ATOM 656 CD1 ILE A 42 -0.696 6.966 7.020 1.00 0.00 C ATOM 0 H ILE A 42 0.936 3.802 4.994 1.00 0.00 H new ATOM 0 HA ILE A 42 0.433 6.142 3.218 1.00 0.00 H new ATOM 0 HB ILE A 42 1.846 6.261 5.861 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.080 5.680 5.335 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.024 4.975 6.543 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.699 8.462 5.889 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.657 8.266 4.402 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.111 8.063 4.355 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.566 6.614 7.575 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.121 7.166 7.714 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.952 7.882 6.487 1.00 0.00 H new ATOM 668 N ALA A 43 2.978 6.713 2.991 1.00 0.00 N ATOM 669 CA ALA A 43 4.381 6.756 2.545 1.00 0.00 C ATOM 670 C ALA A 43 4.785 8.200 2.352 1.00 0.00 C ATOM 671 O ALA A 43 4.168 8.926 1.608 1.00 0.00 O ATOM 672 CB ALA A 43 4.523 5.998 1.224 1.00 0.00 C ATOM 0 H ALA A 43 2.447 7.573 2.851 1.00 0.00 H new ATOM 0 HA ALA A 43 5.024 6.289 3.292 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.562 6.031 0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.220 4.961 1.365 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.889 6.462 0.468 1.00 0.00 H new ATOM 678 N ASP A 44 5.842 8.613 2.956 1.00 0.00 N ATOM 679 CA ASP A 44 6.291 9.997 2.725 1.00 0.00 C ATOM 680 C ASP A 44 7.446 9.879 1.767 1.00 0.00 C ATOM 681 O ASP A 44 7.745 10.779 1.008 1.00 0.00 O ATOM 682 CB ASP A 44 6.707 10.694 4.028 1.00 0.00 C ATOM 683 CG ASP A 44 7.973 10.074 4.614 1.00 0.00 C ATOM 684 OD1 ASP A 44 8.852 9.708 3.851 1.00 0.00 O ATOM 685 OD2 ASP A 44 8.049 9.985 5.828 1.00 0.00 O ATOM 0 H ASP A 44 6.413 8.061 3.595 1.00 0.00 H new ATOM 0 HA ASP A 44 5.488 10.614 2.321 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.874 11.754 3.838 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.897 10.624 4.754 1.00 0.00 H new ATOM 690 N ASP A 45 8.074 8.731 1.762 1.00 0.00 N ATOM 691 CA ASP A 45 9.177 8.526 0.804 1.00 0.00 C ATOM 692 C ASP A 45 8.599 8.667 -0.612 1.00 0.00 C ATOM 693 O ASP A 45 7.477 8.268 -0.857 1.00 0.00 O ATOM 694 CB ASP A 45 9.727 7.138 1.039 1.00 0.00 C ATOM 695 CG ASP A 45 10.441 6.611 -0.209 1.00 0.00 C ATOM 696 OD1 ASP A 45 11.612 6.911 -0.367 1.00 0.00 O ATOM 697 OD2 ASP A 45 9.808 5.910 -0.977 1.00 0.00 O ATOM 0 H ASP A 45 7.867 7.942 2.375 1.00 0.00 H new ATOM 0 HA ASP A 45 9.980 9.253 0.928 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.421 7.156 1.879 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.916 6.463 1.310 1.00 0.00 H new ATOM 702 N PRO A 46 9.364 9.254 -1.492 1.00 0.00 N ATOM 703 CA PRO A 46 8.933 9.492 -2.882 1.00 0.00 C ATOM 704 C PRO A 46 9.039 8.209 -3.700 1.00 0.00 C ATOM 705 O PRO A 46 8.434 8.067 -4.744 1.00 0.00 O ATOM 706 CB PRO A 46 9.923 10.543 -3.387 1.00 0.00 C ATOM 707 CG PRO A 46 11.174 10.437 -2.483 1.00 0.00 C ATOM 708 CD PRO A 46 10.728 9.723 -1.192 1.00 0.00 C ATOM 0 HA PRO A 46 7.895 9.816 -2.960 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.182 10.363 -4.430 1.00 0.00 H new ATOM 0 HB3 PRO A 46 9.489 11.542 -3.334 1.00 0.00 H new ATOM 0 HG2 PRO A 46 11.965 9.877 -2.981 1.00 0.00 H new ATOM 0 HG3 PRO A 46 11.575 11.426 -2.260 1.00 0.00 H new ATOM 0 HD2 PRO A 46 11.390 8.892 -0.947 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.738 10.401 -0.338 1.00 0.00 H new ATOM 716 N ALA A 47 9.814 7.280 -3.231 1.00 0.00 N ATOM 717 CA ALA A 47 9.981 5.997 -3.976 1.00 0.00 C ATOM 718 C ALA A 47 8.910 4.994 -3.542 1.00 0.00 C ATOM 719 O ALA A 47 8.835 3.898 -4.059 1.00 0.00 O ATOM 720 CB ALA A 47 11.368 5.418 -3.694 1.00 0.00 C ATOM 0 H ALA A 47 10.343 7.348 -2.362 1.00 0.00 H new ATOM 0 HA ALA A 47 9.876 6.190 -5.044 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.489 4.481 -4.238 1.00 0.00 H new ATOM 0 HB2 ALA A 47 12.131 6.127 -4.017 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.475 5.233 -2.625 1.00 0.00 H new ATOM 726 N THR A 48 8.085 5.350 -2.599 1.00 0.00 N ATOM 727 CA THR A 48 7.028 4.402 -2.148 1.00 0.00 C ATOM 728 C THR A 48 5.793 4.566 -3.028 1.00 0.00 C ATOM 729 O THR A 48 5.156 3.605 -3.410 1.00 0.00 O ATOM 730 CB THR A 48 6.658 4.701 -0.695 1.00 0.00 C ATOM 731 OG1 THR A 48 6.628 6.106 -0.494 1.00 0.00 O ATOM 732 CG2 THR A 48 7.696 4.073 0.231 1.00 0.00 C ATOM 0 H THR A 48 8.096 6.252 -2.122 1.00 0.00 H new ATOM 0 HA THR A 48 7.400 3.380 -2.225 1.00 0.00 H new ATOM 0 HB THR A 48 5.675 4.284 -0.475 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.545 6.447 -0.429 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.434 4.285 1.268 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.717 2.994 0.075 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.679 4.491 0.012 1.00 0.00 H new ATOM 740 N THR A 49 5.451 5.778 -3.358 1.00 0.00 N ATOM 741 CA THR A 49 4.255 5.999 -4.220 1.00 0.00 C ATOM 742 C THR A 49 4.421 5.194 -5.500 1.00 0.00 C ATOM 743 O THR A 49 3.466 4.729 -6.086 1.00 0.00 O ATOM 744 CB THR A 49 4.124 7.480 -4.598 1.00 0.00 C ATOM 745 OG1 THR A 49 4.823 7.716 -5.813 1.00 0.00 O ATOM 746 CG2 THR A 49 4.715 8.359 -3.501 1.00 0.00 C ATOM 0 H THR A 49 5.944 6.623 -3.071 1.00 0.00 H new ATOM 0 HA THR A 49 3.366 5.689 -3.671 1.00 0.00 H new ATOM 0 HB THR A 49 3.069 7.724 -4.719 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.741 8.661 -6.060 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.616 9.408 -3.782 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.183 8.182 -2.566 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.770 8.117 -3.370 1.00 0.00 H new ATOM 754 N ARG A 50 5.630 5.060 -5.960 1.00 0.00 N ATOM 755 CA ARG A 50 5.853 4.314 -7.233 1.00 0.00 C ATOM 756 C ARG A 50 6.246 2.853 -6.983 1.00 0.00 C ATOM 757 O ARG A 50 5.877 1.970 -7.731 1.00 0.00 O ATOM 758 CB ARG A 50 6.970 4.997 -8.018 1.00 0.00 C ATOM 759 CG ARG A 50 6.439 6.285 -8.650 1.00 0.00 C ATOM 760 CD ARG A 50 7.606 7.093 -9.221 1.00 0.00 C ATOM 761 NE ARG A 50 8.640 7.286 -8.167 1.00 0.00 N ATOM 762 CZ ARG A 50 8.782 8.453 -7.598 1.00 0.00 C ATOM 763 NH1 ARG A 50 7.782 9.293 -7.572 1.00 0.00 N ATOM 764 NH2 ARG A 50 9.922 8.780 -7.056 1.00 0.00 N ATOM 0 H ARG A 50 6.470 5.430 -5.516 1.00 0.00 H new ATOM 0 HA ARG A 50 4.918 4.320 -7.793 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.807 5.222 -7.357 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.346 4.328 -8.792 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.726 6.048 -9.440 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.905 6.875 -7.905 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.037 6.574 -10.077 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.252 8.060 -9.579 1.00 0.00 H new ATOM 0 HE ARG A 50 9.237 6.507 -7.889 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.890 9.038 -7.996 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.893 10.204 -7.128 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.703 8.124 -7.076 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.033 9.691 -6.612 1.00 0.00 H new ATOM 778 N ASP A 51 7.033 2.597 -5.983 1.00 0.00 N ATOM 779 CA ASP A 51 7.495 1.196 -5.740 1.00 0.00 C ATOM 780 C ASP A 51 6.493 0.378 -4.918 1.00 0.00 C ATOM 781 O ASP A 51 6.199 -0.754 -5.246 1.00 0.00 O ATOM 782 CB ASP A 51 8.826 1.242 -4.991 1.00 0.00 C ATOM 783 CG ASP A 51 9.879 1.931 -5.862 1.00 0.00 C ATOM 784 OD1 ASP A 51 9.884 1.684 -7.057 1.00 0.00 O ATOM 785 OD2 ASP A 51 10.662 2.692 -5.320 1.00 0.00 O ATOM 0 H ASP A 51 7.380 3.291 -5.321 1.00 0.00 H new ATOM 0 HA ASP A 51 7.598 0.709 -6.710 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.708 1.780 -4.051 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.150 0.232 -4.741 1.00 0.00 H new ATOM 790 N ILE A 52 5.992 0.911 -3.844 1.00 0.00 N ATOM 791 CA ILE A 52 5.046 0.118 -3.001 1.00 0.00 C ATOM 792 C ILE A 52 3.903 -0.451 -3.840 1.00 0.00 C ATOM 793 O ILE A 52 3.602 -1.623 -3.735 1.00 0.00 O ATOM 794 CB ILE A 52 4.515 0.997 -1.859 1.00 0.00 C ATOM 795 CG1 ILE A 52 5.430 0.832 -0.649 1.00 0.00 C ATOM 796 CG2 ILE A 52 3.084 0.592 -1.474 1.00 0.00 C ATOM 797 CD1 ILE A 52 4.760 1.431 0.588 1.00 0.00 C ATOM 0 H ILE A 52 6.191 1.854 -3.510 1.00 0.00 H new ATOM 0 HA ILE A 52 5.581 -0.729 -2.572 1.00 0.00 H new ATOM 0 HB ILE A 52 4.500 2.036 -2.189 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.644 -0.224 -0.484 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.384 1.325 -0.833 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.731 1.229 -0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.429 0.707 -2.337 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.076 -0.448 -1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.416 1.312 1.451 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.569 2.491 0.421 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.817 0.918 0.775 1.00 0.00 H new ATOM 809 N PRO A 53 3.297 0.369 -4.641 1.00 0.00 N ATOM 810 CA PRO A 53 2.193 -0.080 -5.485 1.00 0.00 C ATOM 811 C PRO A 53 2.722 -0.941 -6.611 1.00 0.00 C ATOM 812 O PRO A 53 2.257 -2.032 -6.826 1.00 0.00 O ATOM 813 CB PRO A 53 1.568 1.205 -5.995 1.00 0.00 C ATOM 814 CG PRO A 53 2.638 2.308 -5.842 1.00 0.00 C ATOM 815 CD PRO A 53 3.651 1.793 -4.802 1.00 0.00 C ATOM 0 HA PRO A 53 1.464 -0.695 -4.957 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.265 1.101 -7.037 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.672 1.453 -5.425 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.128 2.508 -6.795 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.186 3.244 -5.513 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.677 1.913 -5.149 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.568 2.335 -3.860 1.00 0.00 H new ATOM 823 N GLY A 54 3.705 -0.482 -7.319 1.00 0.00 N ATOM 824 CA GLY A 54 4.254 -1.325 -8.407 1.00 0.00 C ATOM 825 C GLY A 54 4.509 -2.717 -7.844 1.00 0.00 C ATOM 826 O GLY A 54 4.501 -3.699 -8.558 1.00 0.00 O ATOM 0 H GLY A 54 4.149 0.428 -7.196 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.554 -1.374 -9.241 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.179 -0.895 -8.792 1.00 0.00 H new ATOM 830 N PHE A 55 4.712 -2.816 -6.556 1.00 0.00 N ATOM 831 CA PHE A 55 4.939 -4.155 -5.955 1.00 0.00 C ATOM 832 C PHE A 55 3.593 -4.880 -5.835 1.00 0.00 C ATOM 833 O PHE A 55 3.449 -6.005 -6.273 1.00 0.00 O ATOM 834 CB PHE A 55 5.592 -3.992 -4.573 1.00 0.00 C ATOM 835 CG PHE A 55 5.172 -5.121 -3.663 1.00 0.00 C ATOM 836 CD1 PHE A 55 5.237 -6.444 -4.112 1.00 0.00 C ATOM 837 CD2 PHE A 55 4.702 -4.843 -2.380 1.00 0.00 C ATOM 838 CE1 PHE A 55 4.827 -7.485 -3.277 1.00 0.00 C ATOM 839 CE2 PHE A 55 4.297 -5.889 -1.549 1.00 0.00 C ATOM 840 CZ PHE A 55 4.357 -7.206 -1.998 1.00 0.00 C ATOM 0 H PHE A 55 4.730 -2.033 -5.903 1.00 0.00 H new ATOM 0 HA PHE A 55 5.606 -4.744 -6.585 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.677 -3.981 -4.674 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.303 -3.036 -4.136 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.604 -6.660 -5.104 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.651 -3.822 -2.031 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.875 -8.507 -3.624 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.936 -5.676 -0.554 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.038 -8.011 -1.353 1.00 0.00 H new ATOM 850 N CYS A 56 2.606 -4.259 -5.245 1.00 0.00 N ATOM 851 CA CYS A 56 1.293 -4.945 -5.112 1.00 0.00 C ATOM 852 C CYS A 56 0.794 -5.386 -6.486 1.00 0.00 C ATOM 853 O CYS A 56 0.222 -6.441 -6.633 1.00 0.00 O ATOM 854 CB CYS A 56 0.289 -3.986 -4.483 1.00 0.00 C ATOM 855 SG CYS A 56 0.595 -3.899 -2.702 1.00 0.00 S ATOM 0 H CYS A 56 2.653 -3.318 -4.855 1.00 0.00 H new ATOM 0 HA CYS A 56 1.406 -5.825 -4.479 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.383 -2.996 -4.930 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.728 -4.327 -4.674 1.00 0.00 H new ATOM 0 HG CYS A 56 -0.231 -4.687 -2.081 1.00 0.00 H new ATOM 861 N THR A 57 1.004 -4.591 -7.491 1.00 0.00 N ATOM 862 CA THR A 57 0.531 -4.972 -8.853 1.00 0.00 C ATOM 863 C THR A 57 1.212 -6.268 -9.298 1.00 0.00 C ATOM 864 O THR A 57 0.630 -7.080 -9.990 1.00 0.00 O ATOM 865 CB THR A 57 0.873 -3.857 -9.841 1.00 0.00 C ATOM 866 OG1 THR A 57 0.395 -2.617 -9.337 1.00 0.00 O ATOM 867 CG2 THR A 57 0.216 -4.151 -11.189 1.00 0.00 C ATOM 0 H THR A 57 1.483 -3.692 -7.433 1.00 0.00 H new ATOM 0 HA THR A 57 -0.548 -5.123 -8.827 1.00 0.00 H new ATOM 0 HB THR A 57 1.954 -3.803 -9.971 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.615 -1.901 -9.968 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.460 -3.356 -11.894 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.584 -5.102 -11.573 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.865 -4.205 -11.063 1.00 0.00 H new ATOM 875 N PHE A 58 2.444 -6.461 -8.922 1.00 0.00 N ATOM 876 CA PHE A 58 3.170 -7.697 -9.338 1.00 0.00 C ATOM 877 C PHE A 58 2.578 -8.930 -8.643 1.00 0.00 C ATOM 878 O PHE A 58 2.433 -9.976 -9.244 1.00 0.00 O ATOM 879 CB PHE A 58 4.648 -7.565 -8.962 1.00 0.00 C ATOM 880 CG PHE A 58 5.488 -8.367 -9.929 1.00 0.00 C ATOM 881 CD1 PHE A 58 5.505 -9.765 -9.848 1.00 0.00 C ATOM 882 CD2 PHE A 58 6.248 -7.712 -10.905 1.00 0.00 C ATOM 883 CE1 PHE A 58 6.283 -10.509 -10.744 1.00 0.00 C ATOM 884 CE2 PHE A 58 7.028 -8.456 -11.800 1.00 0.00 C ATOM 885 CZ PHE A 58 7.044 -9.854 -11.720 1.00 0.00 C ATOM 0 H PHE A 58 2.983 -5.816 -8.343 1.00 0.00 H new ATOM 0 HA PHE A 58 3.067 -7.819 -10.416 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.948 -6.517 -8.986 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.808 -7.920 -7.944 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.918 -10.269 -9.095 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.233 -6.634 -10.968 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.296 -11.587 -10.682 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.617 -7.951 -12.552 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.644 -10.427 -12.411 1.00 0.00 H new ATOM 895 N MET A 59 2.256 -8.830 -7.382 1.00 0.00 N ATOM 896 CA MET A 59 1.697 -10.016 -6.663 1.00 0.00 C ATOM 897 C MET A 59 0.241 -10.264 -7.061 1.00 0.00 C ATOM 898 O MET A 59 -0.403 -11.154 -6.541 1.00 0.00 O ATOM 899 CB MET A 59 1.771 -9.790 -5.166 1.00 0.00 C ATOM 900 CG MET A 59 3.216 -9.518 -4.765 1.00 0.00 C ATOM 901 SD MET A 59 4.282 -10.833 -5.404 1.00 0.00 S ATOM 902 CE MET A 59 4.311 -11.851 -3.909 1.00 0.00 C ATOM 0 H MET A 59 2.354 -7.985 -6.819 1.00 0.00 H new ATOM 0 HA MET A 59 2.289 -10.889 -6.939 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.139 -8.948 -4.883 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.394 -10.665 -4.636 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.537 -8.553 -5.157 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.299 -9.464 -3.679 1.00 0.00 H new ATOM 0 HE1 MET A 59 4.925 -12.735 -4.082 1.00 0.00 H new ATOM 0 HE2 MET A 59 4.730 -11.274 -3.084 1.00 0.00 H new ATOM 0 HE3 MET A 59 3.296 -12.158 -3.658 1.00 0.00 H new ATOM 912 N GLU A 60 -0.283 -9.494 -7.971 1.00 0.00 N ATOM 913 CA GLU A 60 -1.700 -9.697 -8.399 1.00 0.00 C ATOM 914 C GLU A 60 -2.648 -9.071 -7.372 1.00 0.00 C ATOM 915 O GLU A 60 -3.779 -9.488 -7.220 1.00 0.00 O ATOM 916 CB GLU A 60 -1.993 -11.195 -8.523 1.00 0.00 C ATOM 917 CG GLU A 60 -2.957 -11.431 -9.686 1.00 0.00 C ATOM 918 CD GLU A 60 -2.161 -11.769 -10.948 1.00 0.00 C ATOM 919 OE1 GLU A 60 -1.588 -10.859 -11.523 1.00 0.00 O ATOM 920 OE2 GLU A 60 -2.139 -12.931 -11.317 1.00 0.00 O ATOM 0 H GLU A 60 0.206 -8.731 -8.439 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.852 -9.218 -9.366 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.067 -11.745 -8.687 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.426 -11.570 -7.596 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.641 -12.245 -9.446 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.565 -10.542 -9.854 1.00 0.00 H new ATOM 927 N HIS A 61 -2.197 -8.066 -6.677 1.00 0.00 N ATOM 928 CA HIS A 61 -3.057 -7.395 -5.675 1.00 0.00 C ATOM 929 C HIS A 61 -3.696 -6.180 -6.340 1.00 0.00 C ATOM 930 O HIS A 61 -3.398 -5.863 -7.474 1.00 0.00 O ATOM 931 CB HIS A 61 -2.193 -6.946 -4.501 1.00 0.00 C ATOM 932 CG HIS A 61 -1.385 -8.111 -4.009 1.00 0.00 C ATOM 933 ND1 HIS A 61 -1.601 -9.400 -4.469 1.00 0.00 N ATOM 934 CD2 HIS A 61 -0.357 -8.202 -3.105 1.00 0.00 C ATOM 935 CE1 HIS A 61 -0.722 -10.203 -3.848 1.00 0.00 C ATOM 936 NE2 HIS A 61 0.061 -9.526 -3.004 1.00 0.00 N ATOM 0 H HIS A 61 -1.257 -7.679 -6.764 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.830 -8.072 -5.311 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.533 -6.135 -4.809 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.821 -6.559 -3.699 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -2.300 -9.687 -5.154 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.064 -7.373 -2.556 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.656 -11.269 -4.011 1.00 0.00 H new ATOM 944 N GLU A 62 -4.586 -5.504 -5.673 1.00 0.00 N ATOM 945 CA GLU A 62 -5.233 -4.336 -6.323 1.00 0.00 C ATOM 946 C GLU A 62 -5.036 -3.069 -5.509 1.00 0.00 C ATOM 947 O GLU A 62 -5.115 -3.071 -4.301 1.00 0.00 O ATOM 948 CB GLU A 62 -6.730 -4.590 -6.441 1.00 0.00 C ATOM 949 CG GLU A 62 -7.040 -5.259 -7.780 1.00 0.00 C ATOM 950 CD GLU A 62 -8.457 -4.888 -8.222 1.00 0.00 C ATOM 951 OE1 GLU A 62 -9.346 -4.929 -7.386 1.00 0.00 O ATOM 952 OE2 GLU A 62 -8.629 -4.567 -9.385 1.00 0.00 O ATOM 0 H GLU A 62 -4.890 -5.706 -4.720 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.776 -4.206 -7.304 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.066 -5.225 -5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.275 -3.649 -6.360 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.318 -4.941 -8.533 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.948 -6.341 -7.687 1.00 0.00 H new ATOM 959 N LEU A 63 -4.855 -1.978 -6.186 1.00 0.00 N ATOM 960 CA LEU A 63 -4.731 -0.670 -5.492 1.00 0.00 C ATOM 961 C LEU A 63 -6.166 -0.201 -5.288 1.00 0.00 C ATOM 962 O LEU A 63 -6.818 0.237 -6.214 1.00 0.00 O ATOM 963 CB LEU A 63 -3.945 0.311 -6.382 1.00 0.00 C ATOM 964 CG LEU A 63 -4.383 1.762 -6.129 1.00 0.00 C ATOM 965 CD1 LEU A 63 -3.851 2.242 -4.779 1.00 0.00 C ATOM 966 CD2 LEU A 63 -3.819 2.655 -7.237 1.00 0.00 C ATOM 0 H LEU A 63 -4.787 -1.933 -7.203 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.196 -0.737 -4.545 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.878 0.211 -6.184 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.100 0.059 -7.431 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.472 1.813 -6.123 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.167 3.271 -4.609 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.244 1.606 -3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.762 2.192 -4.778 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.126 3.687 -7.064 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.731 2.595 -7.234 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.199 2.320 -8.202 1.00 0.00 H new ATOM 978 N VAL A 64 -6.696 -0.346 -4.108 1.00 0.00 N ATOM 979 CA VAL A 64 -8.095 0.026 -3.901 1.00 0.00 C ATOM 980 C VAL A 64 -8.263 1.552 -3.940 1.00 0.00 C ATOM 981 O VAL A 64 -9.132 2.054 -4.626 1.00 0.00 O ATOM 982 CB VAL A 64 -8.525 -0.583 -2.577 1.00 0.00 C ATOM 983 CG1 VAL A 64 -9.902 -0.092 -2.222 1.00 0.00 C ATOM 984 CG2 VAL A 64 -8.583 -2.102 -2.721 1.00 0.00 C ATOM 0 H VAL A 64 -6.211 -0.707 -3.286 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.733 -0.357 -4.698 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.813 -0.299 -1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.210 -0.529 -1.272 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.890 0.994 -2.135 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.605 -0.385 -3.002 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.891 -2.546 -1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.302 -2.367 -3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.598 -2.479 -2.995 1.00 0.00 H new ATOM 994 N ALA A 65 -7.452 2.312 -3.246 1.00 0.00 N ATOM 995 CA ALA A 65 -7.629 3.802 -3.324 1.00 0.00 C ATOM 996 C ALA A 65 -6.278 4.515 -3.187 1.00 0.00 C ATOM 997 O ALA A 65 -5.518 4.251 -2.307 1.00 0.00 O ATOM 998 CB ALA A 65 -8.558 4.259 -2.198 1.00 0.00 C ATOM 0 H ALA A 65 -6.696 1.982 -2.645 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.061 4.054 -4.293 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.689 5.340 -2.251 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.526 3.770 -2.304 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.121 3.993 -1.235 1.00 0.00 H new ATOM 1004 N LYS A 66 -5.945 5.420 -4.048 1.00 0.00 N ATOM 1005 CA LYS A 66 -4.639 6.089 -3.896 1.00 0.00 C ATOM 1006 C LYS A 66 -4.801 7.436 -3.218 1.00 0.00 C ATOM 1007 O LYS A 66 -5.869 8.015 -3.175 1.00 0.00 O ATOM 1008 CB LYS A 66 -4.028 6.311 -5.257 1.00 0.00 C ATOM 1009 CG LYS A 66 -4.436 5.177 -6.167 1.00 0.00 C ATOM 1010 CD LYS A 66 -5.709 5.546 -6.932 1.00 0.00 C ATOM 1011 CE LYS A 66 -5.359 5.844 -8.391 1.00 0.00 C ATOM 1012 NZ LYS A 66 -6.470 5.389 -9.272 1.00 0.00 N ATOM 0 H LYS A 66 -6.512 5.723 -4.840 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.998 5.453 -3.286 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.361 7.264 -5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.942 6.360 -5.179 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.632 4.957 -6.869 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.604 4.273 -5.581 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.428 4.728 -6.879 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.181 6.416 -6.475 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.189 6.912 -8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.433 5.338 -8.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.232 5.592 -10.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.611 4.366 -9.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.344 5.891 -9.016 1.00 0.00 H new ATOM 1026 N GLU A 67 -3.728 7.937 -2.702 1.00 0.00 N ATOM 1027 CA GLU A 67 -3.755 9.254 -2.031 1.00 0.00 C ATOM 1028 C GLU A 67 -2.507 10.048 -2.426 1.00 0.00 C ATOM 1029 O GLU A 67 -1.400 9.717 -2.055 1.00 0.00 O ATOM 1030 CB GLU A 67 -3.777 9.041 -0.531 1.00 0.00 C ATOM 1031 CG GLU A 67 -5.224 8.978 -0.036 1.00 0.00 C ATOM 1032 CD GLU A 67 -5.607 10.319 0.593 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -6.053 11.188 -0.137 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -5.448 10.453 1.796 1.00 0.00 O ATOM 0 H GLU A 67 -2.815 7.482 -2.716 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.643 9.810 -2.332 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.256 8.117 -0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.247 9.852 -0.032 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.893 8.749 -0.865 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.335 8.177 0.694 1.00 0.00 H new ATOM 1041 N THR A 68 -2.685 11.097 -3.176 1.00 0.00 N ATOM 1042 CA THR A 68 -1.525 11.929 -3.606 1.00 0.00 C ATOM 1043 C THR A 68 -1.919 13.397 -3.474 1.00 0.00 C ATOM 1044 O THR A 68 -1.480 14.243 -4.226 1.00 0.00 O ATOM 1045 CB THR A 68 -1.185 11.618 -5.065 1.00 0.00 C ATOM 1046 OG1 THR A 68 -2.206 12.135 -5.908 1.00 0.00 O ATOM 1047 CG2 THR A 68 -1.081 10.104 -5.256 1.00 0.00 C ATOM 0 H THR A 68 -3.592 11.418 -3.514 1.00 0.00 H new ATOM 0 HA THR A 68 -0.654 11.714 -2.987 1.00 0.00 H new ATOM 0 HB THR A 68 -0.232 12.080 -5.322 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.989 11.938 -6.843 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.839 9.884 -6.296 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.297 9.709 -4.610 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.033 9.639 -4.999 1.00 0.00 H new ATOM 1055 N ASP A 69 -2.756 13.699 -2.519 1.00 0.00 N ATOM 1056 CA ASP A 69 -3.198 15.113 -2.329 1.00 0.00 C ATOM 1057 C ASP A 69 -2.110 15.909 -1.613 1.00 0.00 C ATOM 1058 O ASP A 69 -2.287 17.060 -1.266 1.00 0.00 O ATOM 1059 CB ASP A 69 -4.473 15.136 -1.493 1.00 0.00 C ATOM 1060 CG ASP A 69 -5.546 14.283 -2.173 1.00 0.00 C ATOM 1061 OD1 ASP A 69 -5.208 13.579 -3.111 1.00 0.00 O ATOM 1062 OD2 ASP A 69 -6.685 14.349 -1.744 1.00 0.00 O ATOM 0 H ASP A 69 -3.154 13.029 -1.861 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.387 15.562 -3.304 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.271 14.755 -0.492 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.827 16.161 -1.378 1.00 0.00 H new ATOM 1067 N GLY A 70 -0.993 15.299 -1.392 1.00 0.00 N ATOM 1068 CA GLY A 70 0.119 15.976 -0.707 1.00 0.00 C ATOM 1069 C GLY A 70 0.656 15.060 0.368 1.00 0.00 C ATOM 1070 O GLY A 70 -0.061 14.570 1.217 1.00 0.00 O ATOM 0 H GLY A 70 -0.801 14.335 -1.665 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.906 16.225 -1.419 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.222 16.914 -0.268 1.00 0.00 H new ATOM 1074 N LEU A 71 1.914 14.825 0.307 1.00 0.00 N ATOM 1075 CA LEU A 71 2.577 13.929 1.285 1.00 0.00 C ATOM 1076 C LEU A 71 1.957 14.097 2.679 1.00 0.00 C ATOM 1077 O LEU A 71 1.527 15.171 3.051 1.00 0.00 O ATOM 1078 CB LEU A 71 4.067 14.253 1.364 1.00 0.00 C ATOM 1079 CG LEU A 71 4.779 13.701 0.140 1.00 0.00 C ATOM 1080 CD1 LEU A 71 5.972 14.593 -0.208 1.00 0.00 C ATOM 1081 CD2 LEU A 71 5.277 12.286 0.442 1.00 0.00 C ATOM 0 H LEU A 71 2.538 15.222 -0.396 1.00 0.00 H new ATOM 0 HA LEU A 71 2.438 12.901 0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.211 15.332 1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.495 13.823 2.270 1.00 0.00 H new ATOM 0 HG LEU A 71 4.087 13.678 -0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.480 14.195 -1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.622 15.603 -0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.665 14.618 0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.789 11.886 -0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.968 12.316 1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.429 11.647 0.691 1.00 0.00 H new ATOM 1093 N PRO A 72 1.957 13.013 3.404 1.00 0.00 N ATOM 1094 CA PRO A 72 2.490 11.744 2.904 1.00 0.00 C ATOM 1095 C PRO A 72 1.432 11.067 2.035 1.00 0.00 C ATOM 1096 O PRO A 72 0.245 11.210 2.250 1.00 0.00 O ATOM 1097 CB PRO A 72 2.730 10.925 4.155 1.00 0.00 C ATOM 1098 CG PRO A 72 1.774 11.501 5.216 1.00 0.00 C ATOM 1099 CD PRO A 72 1.443 12.945 4.781 1.00 0.00 C ATOM 0 HA PRO A 72 3.392 11.862 2.303 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.528 9.869 3.977 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.768 11.000 4.480 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.867 10.901 5.286 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.239 11.491 6.202 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.371 13.141 4.820 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.925 13.679 5.426 1.00 0.00 H new ATOM 1107 N TYR A 73 1.859 10.337 1.063 1.00 0.00 N ATOM 1108 CA TYR A 73 0.905 9.635 0.162 1.00 0.00 C ATOM 1109 C TYR A 73 0.244 8.474 0.880 1.00 0.00 C ATOM 1110 O TYR A 73 0.731 7.994 1.876 1.00 0.00 O ATOM 1111 CB TYR A 73 1.645 9.010 -0.991 1.00 0.00 C ATOM 1112 CG TYR A 73 2.749 9.893 -1.455 1.00 0.00 C ATOM 1113 CD1 TYR A 73 2.488 10.997 -2.264 1.00 0.00 C ATOM 1114 CD2 TYR A 73 4.044 9.564 -1.103 1.00 0.00 C ATOM 1115 CE1 TYR A 73 3.544 11.788 -2.715 1.00 0.00 C ATOM 1116 CE2 TYR A 73 5.111 10.334 -1.553 1.00 0.00 C ATOM 1117 CZ TYR A 73 4.865 11.457 -2.362 1.00 0.00 C ATOM 1118 OH TYR A 73 5.916 12.229 -2.815 1.00 0.00 O ATOM 0 H TYR A 73 2.844 10.189 0.843 1.00 0.00 H new ATOM 0 HA TYR A 73 0.176 10.376 -0.166 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.049 8.044 -0.688 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.954 8.823 -1.813 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.472 11.239 -2.540 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.228 8.705 -0.475 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.349 12.652 -3.333 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.123 10.071 -1.282 1.00 0.00 H new ATOM 0 HH TYR A 73 6.760 11.862 -2.478 1.00 0.00 H new ATOM 1128 N ARG A 74 -0.822 7.962 0.334 1.00 0.00 N ATOM 1129 CA ARG A 74 -1.454 6.784 0.937 1.00 0.00 C ATOM 1130 C ARG A 74 -2.041 5.965 -0.179 1.00 0.00 C ATOM 1131 O ARG A 74 -2.383 6.471 -1.213 1.00 0.00 O ATOM 1132 CB ARG A 74 -2.530 7.193 1.918 1.00 0.00 C ATOM 1133 CG ARG A 74 -1.876 7.462 3.259 1.00 0.00 C ATOM 1134 CD ARG A 74 -2.654 8.542 4.011 1.00 0.00 C ATOM 1135 NE ARG A 74 -2.992 8.051 5.375 1.00 0.00 N ATOM 1136 CZ ARG A 74 -3.613 8.834 6.214 1.00 0.00 C ATOM 1137 NH1 ARG A 74 -3.665 10.119 5.988 1.00 0.00 N ATOM 1138 NH2 ARG A 74 -4.182 8.334 7.276 1.00 0.00 N ATOM 0 H ARG A 74 -1.276 8.318 -0.507 1.00 0.00 H new ATOM 0 HA ARG A 74 -0.717 6.203 1.491 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.048 8.084 1.563 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.278 6.405 2.012 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.846 6.546 3.849 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.844 7.781 3.113 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.060 9.453 4.078 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.565 8.794 3.468 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.738 7.103 5.654 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.221 10.509 5.157 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.150 10.733 6.643 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.142 7.330 7.451 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.667 8.947 7.931 1.00 0.00 H new ATOM 1152 N TYR A 75 -2.151 4.707 0.013 1.00 0.00 N ATOM 1153 CA TYR A 75 -2.698 3.861 -1.061 1.00 0.00 C ATOM 1154 C TYR A 75 -3.332 2.639 -0.448 1.00 0.00 C ATOM 1155 O TYR A 75 -2.689 1.892 0.263 1.00 0.00 O ATOM 1156 CB TYR A 75 -1.591 3.397 -1.992 1.00 0.00 C ATOM 1157 CG TYR A 75 -0.471 4.399 -2.033 1.00 0.00 C ATOM 1158 CD1 TYR A 75 -0.592 5.593 -2.744 1.00 0.00 C ATOM 1159 CD2 TYR A 75 0.707 4.089 -1.387 1.00 0.00 C ATOM 1160 CE1 TYR A 75 0.490 6.479 -2.808 1.00 0.00 C ATOM 1161 CE2 TYR A 75 1.793 4.971 -1.434 1.00 0.00 C ATOM 1162 CZ TYR A 75 1.686 6.167 -2.151 1.00 0.00 C ATOM 1163 OH TYR A 75 2.760 7.030 -2.224 1.00 0.00 O ATOM 0 H TYR A 75 -1.887 4.217 0.868 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.428 4.443 -1.623 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.209 2.432 -1.658 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.991 3.251 -2.995 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.519 5.833 -3.244 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.792 3.161 -0.842 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.402 7.401 -3.363 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.710 4.729 -0.918 1.00 0.00 H new ATOM 0 HH TYR A 75 3.476 6.712 -1.635 1.00 0.00 H new ATOM 1173 N LEU A 76 -4.566 2.386 -0.726 1.00 0.00 N ATOM 1174 CA LEU A 76 -5.156 1.192 -0.168 1.00 0.00 C ATOM 1175 C LEU A 76 -4.883 0.076 -1.157 1.00 0.00 C ATOM 1176 O LEU A 76 -4.763 0.328 -2.340 1.00 0.00 O ATOM 1177 CB LEU A 76 -6.655 1.316 -0.034 1.00 0.00 C ATOM 1178 CG LEU A 76 -7.180 0.007 0.524 1.00 0.00 C ATOM 1179 CD1 LEU A 76 -6.880 -0.073 2.017 1.00 0.00 C ATOM 1180 CD2 LEU A 76 -8.667 -0.057 0.275 1.00 0.00 C ATOM 0 H LEU A 76 -5.175 2.957 -1.311 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.735 1.012 0.821 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.912 2.144 0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.109 1.528 -1.002 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.694 -0.837 0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.259 -1.015 2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.803 -0.019 2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.364 0.758 2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.062 -0.993 0.670 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.155 0.781 0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.859 -0.006 -0.797 1.00 0.00 H new ATOM 1192 N ILE A 77 -4.791 -1.140 -0.733 1.00 0.00 N ATOM 1193 CA ILE A 77 -4.542 -2.199 -1.718 1.00 0.00 C ATOM 1194 C ILE A 77 -5.296 -3.469 -1.336 1.00 0.00 C ATOM 1195 O ILE A 77 -4.950 -4.143 -0.385 1.00 0.00 O ATOM 1196 CB ILE A 77 -3.047 -2.468 -1.752 1.00 0.00 C ATOM 1197 CG1 ILE A 77 -2.318 -1.125 -1.888 1.00 0.00 C ATOM 1198 CG2 ILE A 77 -2.712 -3.383 -2.932 1.00 0.00 C ATOM 1199 CD1 ILE A 77 -0.888 -1.344 -2.384 1.00 0.00 C ATOM 0 H ILE A 77 -4.876 -1.441 0.238 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.892 -1.884 -2.701 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.730 -2.965 -0.836 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.856 -0.480 -2.583 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.302 -0.613 -0.926 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.639 -3.573 -2.952 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.246 -4.327 -2.823 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.013 -2.902 -3.863 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.383 -0.382 -2.476 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.349 -1.971 -1.674 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.912 -1.835 -3.357 1.00 0.00 H new ATOM 1211 N ARG A 78 -6.326 -3.807 -2.067 1.00 0.00 N ATOM 1212 CA ARG A 78 -7.082 -5.043 -1.725 1.00 0.00 C ATOM 1213 C ARG A 78 -6.233 -6.268 -2.094 1.00 0.00 C ATOM 1214 O ARG A 78 -6.038 -6.576 -3.252 1.00 0.00 O ATOM 1215 CB ARG A 78 -8.397 -5.069 -2.512 1.00 0.00 C ATOM 1216 CG ARG A 78 -9.004 -6.475 -2.465 1.00 0.00 C ATOM 1217 CD ARG A 78 -10.206 -6.542 -3.408 1.00 0.00 C ATOM 1218 NE ARG A 78 -10.606 -7.964 -3.603 1.00 0.00 N ATOM 1219 CZ ARG A 78 -11.778 -8.251 -4.102 1.00 0.00 C ATOM 1220 NH1 ARG A 78 -12.468 -7.329 -4.717 1.00 0.00 N ATOM 1221 NH2 ARG A 78 -12.259 -9.457 -3.986 1.00 0.00 N ATOM 0 H ARG A 78 -6.671 -3.288 -2.874 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.302 -5.060 -0.658 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.097 -4.347 -2.092 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.218 -4.775 -3.546 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.258 -7.215 -2.756 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.312 -6.716 -1.448 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.038 -5.972 -2.994 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.955 -6.089 -4.367 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.964 -8.714 -3.346 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.091 -6.385 -4.807 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.384 -7.552 -5.107 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.720 -10.177 -3.505 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.175 -9.681 -4.376 1.00 0.00 H new ATOM 1235 N LYS A 79 -5.729 -6.973 -1.108 1.00 0.00 N ATOM 1236 CA LYS A 79 -4.895 -8.179 -1.392 1.00 0.00 C ATOM 1237 C LYS A 79 -5.727 -9.174 -2.182 1.00 0.00 C ATOM 1238 O LYS A 79 -6.873 -9.411 -1.865 1.00 0.00 O ATOM 1239 CB LYS A 79 -4.461 -8.820 -0.077 1.00 0.00 C ATOM 1240 CG LYS A 79 -3.131 -9.550 -0.279 1.00 0.00 C ATOM 1241 CD LYS A 79 -3.325 -11.047 -0.031 1.00 0.00 C ATOM 1242 CE LYS A 79 -2.027 -11.789 -0.355 1.00 0.00 C ATOM 1243 NZ LYS A 79 -2.103 -13.179 0.172 1.00 0.00 N ATOM 0 H LYS A 79 -5.861 -6.763 -0.119 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.012 -7.891 -1.963 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.356 -8.057 0.694 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.223 -9.519 0.268 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.763 -9.383 -1.291 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.379 -9.153 0.403 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.607 -11.221 1.007 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.138 -11.427 -0.650 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.865 -11.806 -1.433 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.178 -11.267 0.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.403 -13.301 0.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.056 -13.356 0.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.902 -13.852 -0.595 1.00 0.00 H new ATOM 1257 N GLY A 80 -5.161 -9.751 -3.208 1.00 0.00 N ATOM 1258 CA GLY A 80 -5.920 -10.732 -4.031 1.00 0.00 C ATOM 1259 C GLY A 80 -4.960 -11.435 -4.992 1.00 0.00 C ATOM 1260 O GLY A 80 -3.758 -11.266 -4.919 1.00 0.00 O ATOM 0 H GLY A 80 -4.202 -9.583 -3.511 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.409 -11.463 -3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.706 -10.224 -4.590 1.00 0.00 H new ATOM 1264 N GLY A 81 -5.477 -12.223 -5.893 1.00 0.00 N ATOM 1265 CA GLY A 81 -4.593 -12.936 -6.858 1.00 0.00 C ATOM 1266 C GLY A 81 -5.213 -14.287 -7.218 1.00 0.00 C ATOM 1267 O GLY A 81 -5.976 -14.332 -8.170 1.00 0.00 O ATOM 1268 OXT GLY A 81 -4.916 -15.254 -6.536 1.00 0.00 O ATOM 0 H GLY A 81 -6.475 -12.405 -6.003 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.459 -12.335 -7.757 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.605 -13.082 -6.422 1.00 0.00 H new TER 1272 GLY A 81