USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 796 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 NoAdj-H: A 22 HIS HE2 : A 22 HIS NE2 : A 233 HEMFE :(H bumps) USER MOD NoAdj-H: A 25 HIS HE2 : A 25 HIS NE2 : A 282 HEMFE :(H bumps) USER MOD NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 233 HEMFE :(H bumps) USER MOD NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 251 HEMFE :(H bumps) USER MOD NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 251 HEMFE :(H bumps) USER MOD NoAdj-H: A 69 HIS HE2 : A 69 HIS NE2 : A 305 HEMFE :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 282 HEMFE :(H bumps) USER MOD NoAdj-H: A 106 HIS HE2 : A 106 HIS NE2 : A 305 HEMFE :(H bumps) USER MOD Single : A 1 ALA N :NH3+ -117:sc= 0.121 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -120:sc= 0.355 USER MOD Single : A 15 GLN : amide:sc= -0.393 X(o=-0.39,f=-0.12) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -120:sc= -2.17 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 165:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -97:sc= -0.537 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -132:sc= -0.35 (180deg=-0.996) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -2.06 F(o=-2.8!,f=-2.1) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0107 USER MOD Single : A 78 SER OG : rot 137:sc= -4.07! USER MOD Single : A 84 SER OG : rot -140:sc= -0.166! USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot -67:sc= 0.706 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -149:sc= 1.68 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 233 HEM CMA :methyl 150:sc= -1.44 (180deg=-1.44) USER MOD Single : A 233 HEM CMB :methyl -30:sc= -4.24! (180deg=-8.67!) USER MOD Single : A 233 HEM CMC :methyl -30:sc= -1.97! (180deg=-4.13!) USER MOD Single : A 233 HEM CMD :methyl 150:sc= -0.454 (180deg=-0.454) USER MOD Single : A 251 HEM CMA :methyl 150:sc= -0.59 (180deg=-0.59) USER MOD Single : A 251 HEM CMB :methyl -30:sc= -1.32 (180deg=-1.7) USER MOD Single : A 251 HEM CMC :methyl 150:sc= -2.08 (180deg=-2.08) USER MOD Single : A 251 HEM CMD :methyl 150:sc= -7.16! (180deg=-7.16!) USER MOD Single : A 282 HEM CMA :methyl 150:sc= -1.28 (180deg=-1.28) USER MOD Single : A 282 HEM CMB :methyl -30:sc= -1.63 (180deg=-4.04!) USER MOD Single : A 282 HEM CMC :methyl -30:sc= -7.03! (180deg=-8.61!) USER MOD Single : A 282 HEM CMD :methyl 150:sc= -0.125 (180deg=-0.125) USER MOD Single : A 305 HEM CMA :methyl 150:sc= -2.56 (180deg=-2.56) USER MOD Single : A 305 HEM CMB :methyl 150:sc= -0.438 (180deg=-0.438) USER MOD Single : A 305 HEM CMC :methyl -30:sc= -7.38! (180deg=-8.8!) USER MOD Single : A 305 HEM CMD :methyl -30:sc= -0.201 (180deg=-0.538) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.354 15.550 -11.166 1.00 1.00 N ATOM 2 CA ALA A 1 2.884 14.261 -10.754 1.00 1.00 C ATOM 3 C ALA A 1 3.319 13.474 -11.992 1.00 1.00 C ATOM 4 O ALA A 1 3.162 13.910 -13.131 1.00 1.00 O ATOM 5 CB ALA A 1 1.832 13.515 -9.931 1.00 1.00 C ATOM 0 H1 ALA A 1 2.949 16.310 -10.779 1.00 1.00 H new ATOM 0 H2 ALA A 1 2.350 15.608 -12.204 1.00 1.00 H new ATOM 0 H3 ALA A 1 1.383 15.656 -10.810 1.00 1.00 H new ATOM 0 HA ALA A 1 3.761 14.392 -10.121 1.00 1.00 H new ATOM 0 HB1 ALA A 1 2.230 12.548 -9.622 1.00 1.00 H new ATOM 0 HB2 ALA A 1 1.578 14.101 -9.048 1.00 1.00 H new ATOM 0 HB3 ALA A 1 0.938 13.363 -10.535 1.00 1.00 H new ATOM 11 N PRO A 2 3.878 12.288 -11.740 1.00 1.00 N ATOM 12 CA PRO A 2 4.360 11.380 -12.759 1.00 1.00 C ATOM 13 C PRO A 2 3.178 10.746 -13.478 1.00 1.00 C ATOM 14 O PRO A 2 2.086 10.714 -12.912 1.00 1.00 O ATOM 15 CB PRO A 2 5.166 10.330 -11.997 1.00 1.00 C ATOM 16 CG PRO A 2 5.331 10.880 -10.527 1.00 1.00 C ATOM 17 CD PRO A 2 4.078 11.745 -10.414 1.00 1.00 C ATOM 0 HA PRO A 2 4.965 11.876 -13.518 1.00 1.00 H new ATOM 0 HB2 PRO A 2 4.651 9.369 -11.997 1.00 1.00 H new ATOM 0 HB3 PRO A 2 6.138 10.171 -12.464 1.00 1.00 H new ATOM 0 HG2 PRO A 2 5.352 10.082 -9.785 1.00 1.00 H new ATOM 0 HG3 PRO A 2 6.247 11.457 -10.400 1.00 1.00 H new ATOM 0 HD2 PRO A 2 3.219 11.155 -10.095 1.00 1.00 H new ATOM 0 HD3 PRO A 2 4.211 12.538 -9.678 1.00 1.00 H new ATOM 25 N ALA A 3 3.410 10.263 -14.689 1.00 1.00 N ATOM 26 CA ALA A 3 2.349 9.638 -15.461 1.00 1.00 C ATOM 27 C ALA A 3 1.974 8.302 -14.817 1.00 1.00 C ATOM 28 O ALA A 3 2.821 7.423 -14.665 1.00 1.00 O ATOM 29 CB ALA A 3 2.801 9.478 -16.914 1.00 1.00 C ATOM 0 H ALA A 3 4.317 10.292 -15.155 1.00 1.00 H new ATOM 0 HA ALA A 3 1.457 10.264 -15.464 1.00 1.00 H new ATOM 0 HB1 ALA A 3 2.005 9.009 -17.493 1.00 1.00 H new ATOM 0 HB2 ALA A 3 3.027 10.458 -17.335 1.00 1.00 H new ATOM 0 HB3 ALA A 3 3.693 8.853 -16.951 1.00 1.00 H new ATOM 35 N VAL A 4 0.704 8.192 -14.456 1.00 1.00 N ATOM 36 CA VAL A 4 0.207 6.977 -13.831 1.00 1.00 C ATOM 37 C VAL A 4 0.382 5.804 -14.797 1.00 1.00 C ATOM 38 O VAL A 4 -0.129 5.797 -15.915 1.00 1.00 O ATOM 39 CB VAL A 4 -1.244 7.174 -13.386 1.00 1.00 C ATOM 40 CG1 VAL A 4 -2.188 7.202 -14.590 1.00 1.00 C ATOM 41 CG2 VAL A 4 -1.662 6.095 -12.386 1.00 1.00 C ATOM 0 H VAL A 4 0.004 8.923 -14.584 1.00 1.00 H new ATOM 0 HA VAL A 4 0.780 6.747 -12.933 1.00 1.00 H new ATOM 0 HB VAL A 4 -1.312 8.139 -12.885 1.00 1.00 H new ATOM 0 HG11 VAL A 4 -3.213 7.343 -14.246 1.00 1.00 H new ATOM 0 HG12 VAL A 4 -1.911 8.023 -15.251 1.00 1.00 H new ATOM 0 HG13 VAL A 4 -2.114 6.259 -15.132 1.00 1.00 H new ATOM 0 HG21 VAL A 4 -2.697 6.258 -12.086 1.00 1.00 H new ATOM 0 HG22 VAL A 4 -1.569 5.113 -12.850 1.00 1.00 H new ATOM 0 HG23 VAL A 4 -1.018 6.143 -11.508 1.00 1.00 H new ATOM 51 N PRO A 5 1.126 4.798 -14.333 1.00 1.00 N ATOM 52 CA PRO A 5 1.420 3.591 -15.076 1.00 1.00 C ATOM 53 C PRO A 5 0.201 2.678 -15.069 1.00 1.00 C ATOM 54 O PRO A 5 -0.294 2.357 -13.990 1.00 1.00 O ATOM 55 CB PRO A 5 2.589 2.948 -14.332 1.00 1.00 C ATOM 56 CG PRO A 5 2.424 3.410 -12.935 1.00 1.00 C ATOM 57 CD PRO A 5 1.742 4.773 -13.024 1.00 1.00 C ATOM 0 HA PRO A 5 1.667 3.785 -16.120 1.00 1.00 H new ATOM 0 HB2 PRO A 5 2.555 1.861 -14.399 1.00 1.00 H new ATOM 0 HB3 PRO A 5 3.547 3.263 -14.746 1.00 1.00 H new ATOM 0 HG2 PRO A 5 1.820 2.708 -12.360 1.00 1.00 H new ATOM 0 HG3 PRO A 5 3.388 3.488 -12.433 1.00 1.00 H new ATOM 0 HD2 PRO A 5 0.999 4.895 -12.236 1.00 1.00 H new ATOM 0 HD3 PRO A 5 2.462 5.583 -12.911 1.00 1.00 H new ATOM 65 N ASP A 6 -0.253 2.285 -16.250 1.00 1.00 N ATOM 66 CA ASP A 6 -1.411 1.415 -16.354 1.00 1.00 C ATOM 67 C ASP A 6 -0.964 -0.041 -16.214 1.00 1.00 C ATOM 68 O ASP A 6 -1.756 -0.960 -16.419 1.00 1.00 O ATOM 69 CB ASP A 6 -2.096 1.570 -17.714 1.00 1.00 C ATOM 70 CG ASP A 6 -1.347 0.943 -18.891 1.00 1.00 C ATOM 71 OD1 ASP A 6 -0.424 1.547 -19.455 1.00 1.00 O ATOM 72 OD2 ASP A 6 -1.753 -0.234 -19.230 1.00 1.00 O ATOM 0 H ASP A 6 0.161 2.553 -17.143 1.00 1.00 H new ATOM 0 HA ASP A 6 -2.110 1.689 -15.564 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -3.089 1.125 -17.656 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -2.234 2.632 -17.915 1.00 1.00 H new ATOM 78 N LYS A 7 0.304 -0.207 -15.866 1.00 1.00 N ATOM 79 CA LYS A 7 0.866 -1.536 -15.697 1.00 1.00 C ATOM 80 C LYS A 7 1.245 -1.741 -14.229 1.00 1.00 C ATOM 81 O LYS A 7 2.351 -1.434 -13.791 1.00 1.00 O ATOM 82 CB LYS A 7 2.028 -1.754 -16.668 1.00 1.00 C ATOM 83 CG LYS A 7 2.812 -0.458 -16.885 1.00 1.00 C ATOM 84 CD LYS A 7 4.051 -0.705 -17.748 1.00 1.00 C ATOM 85 CE LYS A 7 4.688 0.617 -18.182 1.00 1.00 C ATOM 86 NZ LYS A 7 6.155 0.468 -18.306 1.00 1.00 N ATOM 0 H LYS A 7 0.958 0.557 -15.697 1.00 1.00 H new ATOM 0 HA LYS A 7 0.126 -2.297 -15.946 1.00 1.00 H new ATOM 0 HB2 LYS A 7 2.693 -2.524 -16.278 1.00 1.00 H new ATOM 0 HB3 LYS A 7 1.646 -2.116 -17.622 1.00 1.00 H new ATOM 0 HG2 LYS A 7 2.172 0.282 -17.365 1.00 1.00 H new ATOM 0 HG3 LYS A 7 3.112 -0.044 -15.922 1.00 1.00 H new ATOM 0 HD2 LYS A 7 4.776 -1.296 -17.189 1.00 1.00 H new ATOM 0 HD3 LYS A 7 3.776 -1.287 -18.628 1.00 1.00 H new ATOM 0 HE2 LYS A 7 4.267 0.935 -19.136 1.00 1.00 H new ATOM 0 HE3 LYS A 7 4.456 1.396 -17.455 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 6.572 1.374 -18.601 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 6.554 0.186 -17.388 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 6.371 -0.260 -19.016 1.00 1.00 H new ATOM 99 N PRO A 8 0.286 -2.275 -13.468 1.00 1.00 N ATOM 100 CA PRO A 8 0.427 -2.557 -12.056 1.00 1.00 C ATOM 101 C PRO A 8 1.817 -3.114 -11.783 1.00 1.00 C ATOM 102 O PRO A 8 2.361 -3.802 -12.646 1.00 1.00 O ATOM 103 CB PRO A 8 -0.649 -3.598 -11.755 1.00 1.00 C ATOM 104 CG PRO A 8 -1.803 -3.058 -12.701 1.00 1.00 C ATOM 105 CD PRO A 8 -1.026 -2.648 -13.950 1.00 1.00 C ATOM 0 HA PRO A 8 0.311 -1.670 -11.433 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -0.336 -4.610 -12.011 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -0.939 -3.610 -10.704 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -2.546 -3.826 -12.917 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -2.334 -2.216 -12.257 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -0.965 -3.469 -14.665 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -1.510 -1.816 -14.461 1.00 1.00 H new ATOM 113 N VAL A 9 2.358 -2.814 -10.611 1.00 1.00 N ATOM 114 CA VAL A 9 3.681 -3.295 -10.252 1.00 1.00 C ATOM 115 C VAL A 9 3.552 -4.380 -9.181 1.00 1.00 C ATOM 116 O VAL A 9 2.649 -4.329 -8.347 1.00 1.00 O ATOM 117 CB VAL A 9 4.562 -2.124 -9.814 1.00 1.00 C ATOM 118 CG1 VAL A 9 5.325 -1.537 -11.003 1.00 1.00 C ATOM 119 CG2 VAL A 9 3.734 -1.048 -9.109 1.00 1.00 C ATOM 0 H VAL A 9 1.904 -2.244 -9.898 1.00 1.00 H new ATOM 0 HA VAL A 9 4.170 -3.747 -11.115 1.00 1.00 H new ATOM 0 HB VAL A 9 5.294 -2.504 -9.101 1.00 1.00 H new ATOM 0 HG11 VAL A 9 5.944 -0.706 -10.664 1.00 1.00 H new ATOM 0 HG12 VAL A 9 5.960 -2.306 -11.443 1.00 1.00 H new ATOM 0 HG13 VAL A 9 4.616 -1.180 -11.750 1.00 1.00 H new ATOM 0 HG21 VAL A 9 4.385 -0.227 -8.808 1.00 1.00 H new ATOM 0 HG22 VAL A 9 2.969 -0.674 -9.789 1.00 1.00 H new ATOM 0 HG23 VAL A 9 3.258 -1.475 -8.227 1.00 1.00 H new ATOM 129 N GLU A 10 4.468 -5.335 -9.238 1.00 1.00 N ATOM 130 CA GLU A 10 4.467 -6.431 -8.283 1.00 1.00 C ATOM 131 C GLU A 10 5.260 -6.045 -7.033 1.00 1.00 C ATOM 132 O GLU A 10 6.308 -5.407 -7.130 1.00 1.00 O ATOM 133 CB GLU A 10 5.025 -7.708 -8.914 1.00 1.00 C ATOM 134 CG GLU A 10 3.896 -8.660 -9.314 1.00 1.00 C ATOM 135 CD GLU A 10 3.204 -8.184 -10.592 1.00 1.00 C ATOM 136 OE1 GLU A 10 2.534 -7.140 -10.583 1.00 1.00 O ATOM 137 OE2 GLU A 10 3.382 -8.939 -11.622 1.00 1.00 O ATOM 0 H GLU A 10 5.216 -5.373 -9.930 1.00 1.00 H new ATOM 0 HA GLU A 10 3.437 -6.631 -7.989 1.00 1.00 H new ATOM 0 HB2 GLU A 10 5.620 -7.454 -9.791 1.00 1.00 H new ATOM 0 HB3 GLU A 10 5.692 -8.205 -8.209 1.00 1.00 H new ATOM 0 HG2 GLU A 10 4.297 -9.662 -9.465 1.00 1.00 H new ATOM 0 HG3 GLU A 10 3.168 -8.727 -8.505 1.00 1.00 H new ATOM 145 N VAL A 11 4.731 -6.448 -5.888 1.00 1.00 N ATOM 146 CA VAL A 11 5.376 -6.152 -4.620 1.00 1.00 C ATOM 147 C VAL A 11 5.741 -7.463 -3.920 1.00 1.00 C ATOM 148 O VAL A 11 4.990 -7.951 -3.078 1.00 1.00 O ATOM 149 CB VAL A 11 4.475 -5.253 -3.771 1.00 1.00 C ATOM 150 CG1 VAL A 11 5.227 -4.718 -2.551 1.00 1.00 C ATOM 151 CG2 VAL A 11 3.901 -4.107 -4.607 1.00 1.00 C ATOM 0 H VAL A 11 3.863 -6.977 -5.811 1.00 1.00 H new ATOM 0 HA VAL A 11 6.302 -5.601 -4.783 1.00 1.00 H new ATOM 0 HB VAL A 11 3.642 -5.857 -3.412 1.00 1.00 H new ATOM 0 HG11 VAL A 11 4.564 -4.082 -1.965 1.00 1.00 H new ATOM 0 HG12 VAL A 11 5.565 -5.553 -1.937 1.00 1.00 H new ATOM 0 HG13 VAL A 11 6.089 -4.137 -2.880 1.00 1.00 H new ATOM 0 HG21 VAL A 11 3.264 -3.483 -3.980 1.00 1.00 H new ATOM 0 HG22 VAL A 11 4.717 -3.505 -5.008 1.00 1.00 H new ATOM 0 HG23 VAL A 11 3.313 -4.515 -5.429 1.00 1.00 H new ATOM 161 N LYS A 12 6.895 -7.995 -4.295 1.00 1.00 N ATOM 162 CA LYS A 12 7.369 -9.240 -3.715 1.00 1.00 C ATOM 163 C LYS A 12 8.203 -8.932 -2.470 1.00 1.00 C ATOM 164 O LYS A 12 9.401 -8.673 -2.569 1.00 1.00 O ATOM 165 CB LYS A 12 8.112 -10.071 -4.762 1.00 1.00 C ATOM 166 CG LYS A 12 8.321 -11.507 -4.275 1.00 1.00 C ATOM 167 CD LYS A 12 9.740 -11.989 -4.585 1.00 1.00 C ATOM 168 CE LYS A 12 9.861 -12.437 -6.043 1.00 1.00 C ATOM 169 NZ LYS A 12 11.283 -12.603 -6.419 1.00 1.00 N ATOM 0 H LYS A 12 7.516 -7.586 -4.994 1.00 1.00 H new ATOM 0 HA LYS A 12 6.528 -9.854 -3.393 1.00 1.00 H new ATOM 0 HB2 LYS A 12 7.547 -10.078 -5.694 1.00 1.00 H new ATOM 0 HB3 LYS A 12 9.077 -9.612 -4.978 1.00 1.00 H new ATOM 0 HG2 LYS A 12 8.141 -11.561 -3.201 1.00 1.00 H new ATOM 0 HG3 LYS A 12 7.596 -12.166 -4.753 1.00 1.00 H new ATOM 0 HD2 LYS A 12 10.452 -11.187 -4.387 1.00 1.00 H new ATOM 0 HD3 LYS A 12 9.999 -12.816 -3.924 1.00 1.00 H new ATOM 0 HE2 LYS A 12 9.329 -13.378 -6.186 1.00 1.00 H new ATOM 0 HE3 LYS A 12 9.390 -11.702 -6.696 1.00 1.00 H new ATOM 0 HZ1 LYS A 12 11.346 -12.907 -7.411 1.00 1.00 H new ATOM 0 HZ2 LYS A 12 11.781 -11.698 -6.302 1.00 1.00 H new ATOM 0 HZ3 LYS A 12 11.722 -13.321 -5.808 1.00 1.00 H new ATOM 182 N GLY A 13 7.536 -8.970 -1.325 1.00 1.00 N ATOM 183 CA GLY A 13 8.201 -8.698 -0.062 1.00 1.00 C ATOM 184 C GLY A 13 9.054 -9.890 0.376 1.00 1.00 C ATOM 185 O GLY A 13 9.831 -10.425 -0.413 1.00 1.00 O ATOM 0 H GLY A 13 6.542 -9.185 -1.246 1.00 1.00 H new ATOM 0 HA2 GLY A 13 8.830 -7.813 -0.161 1.00 1.00 H new ATOM 0 HA3 GLY A 13 7.458 -8.477 0.704 1.00 1.00 H new ATOM 189 N SER A 14 8.880 -10.271 1.633 1.00 1.00 N ATOM 190 CA SER A 14 9.623 -11.390 2.186 1.00 1.00 C ATOM 191 C SER A 14 9.359 -12.652 1.363 1.00 1.00 C ATOM 192 O SER A 14 10.219 -13.092 0.602 1.00 1.00 O ATOM 193 CB SER A 14 9.255 -11.625 3.652 1.00 1.00 C ATOM 194 OG SER A 14 8.985 -12.998 3.921 1.00 1.00 O ATOM 0 H SER A 14 8.235 -9.824 2.284 1.00 1.00 H new ATOM 0 HA SER A 14 10.685 -11.151 2.140 1.00 1.00 H new ATOM 0 HB2 SER A 14 10.071 -11.284 4.290 1.00 1.00 H new ATOM 0 HB3 SER A 14 8.380 -11.027 3.907 1.00 1.00 H new ATOM 0 HG SER A 14 8.068 -13.092 4.253 1.00 1.00 H new ATOM 200 N GLN A 15 8.166 -13.198 1.543 1.00 1.00 N ATOM 201 CA GLN A 15 7.778 -14.401 0.826 1.00 1.00 C ATOM 202 C GLN A 15 6.282 -14.369 0.506 1.00 1.00 C ATOM 203 O GLN A 15 5.576 -15.353 0.720 1.00 1.00 O ATOM 204 CB GLN A 15 8.140 -15.656 1.624 1.00 1.00 C ATOM 205 CG GLN A 15 7.992 -16.913 0.765 1.00 1.00 C ATOM 206 CD GLN A 15 9.035 -17.965 1.147 1.00 1.00 C ATOM 207 OE1 GLN A 15 8.726 -19.112 1.424 1.00 1.00 O ATOM 208 NE2 GLN A 15 10.285 -17.511 1.147 1.00 1.00 N ATOM 0 H GLN A 15 7.455 -12.830 2.175 1.00 1.00 H new ATOM 0 HA GLN A 15 8.331 -14.435 -0.113 1.00 1.00 H new ATOM 0 HB2 GLN A 15 9.165 -15.578 1.987 1.00 1.00 H new ATOM 0 HB3 GLN A 15 7.497 -15.732 2.501 1.00 1.00 H new ATOM 0 HG2 GLN A 15 6.991 -17.327 0.889 1.00 1.00 H new ATOM 0 HG3 GLN A 15 8.101 -16.653 -0.288 1.00 1.00 H new ATOM 0 HE21 GLN A 15 10.474 -16.538 0.905 1.00 1.00 H new ATOM 0 HE22 GLN A 15 11.054 -18.135 1.389 1.00 1.00 H new ATOM 217 N LYS A 16 5.842 -13.226 -0.001 1.00 1.00 N ATOM 218 CA LYS A 16 4.443 -13.053 -0.353 1.00 1.00 C ATOM 219 C LYS A 16 4.327 -12.006 -1.463 1.00 1.00 C ATOM 220 O LYS A 16 4.447 -10.809 -1.208 1.00 1.00 O ATOM 221 CB LYS A 16 3.615 -12.724 0.891 1.00 1.00 C ATOM 222 CG LYS A 16 2.867 -13.961 1.394 1.00 1.00 C ATOM 223 CD LYS A 16 1.434 -13.991 0.859 1.00 1.00 C ATOM 224 CE LYS A 16 0.969 -15.428 0.619 1.00 1.00 C ATOM 225 NZ LYS A 16 -0.502 -15.476 0.456 1.00 1.00 N ATOM 0 H LYS A 16 6.430 -12.411 -0.176 1.00 1.00 H new ATOM 0 HA LYS A 16 4.031 -13.982 -0.746 1.00 1.00 H new ATOM 0 HB2 LYS A 16 4.268 -12.345 1.677 1.00 1.00 H new ATOM 0 HB3 LYS A 16 2.902 -11.933 0.659 1.00 1.00 H new ATOM 0 HG2 LYS A 16 3.395 -14.862 1.081 1.00 1.00 H new ATOM 0 HG3 LYS A 16 2.852 -13.963 2.484 1.00 1.00 H new ATOM 0 HD2 LYS A 16 0.767 -13.503 1.569 1.00 1.00 H new ATOM 0 HD3 LYS A 16 1.377 -13.426 -0.072 1.00 1.00 H new ATOM 0 HE2 LYS A 16 1.453 -15.829 -0.271 1.00 1.00 H new ATOM 0 HE3 LYS A 16 1.269 -16.058 1.456 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 -0.801 -16.459 0.294 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 -0.959 -15.112 1.317 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 -0.780 -14.891 -0.357 1.00 1.00 H new ATOM 238 N THR A 17 4.095 -12.496 -2.672 1.00 1.00 N ATOM 239 CA THR A 17 3.962 -11.618 -3.822 1.00 1.00 C ATOM 240 C THR A 17 2.573 -10.976 -3.845 1.00 1.00 C ATOM 241 O THR A 17 1.568 -11.656 -3.646 1.00 1.00 O ATOM 242 CB THR A 17 4.274 -12.434 -5.078 1.00 1.00 C ATOM 243 OG1 THR A 17 5.560 -12.992 -4.820 1.00 1.00 O ATOM 244 CG2 THR A 17 4.491 -11.552 -6.310 1.00 1.00 C ATOM 0 H THR A 17 3.996 -13.490 -2.880 1.00 1.00 H new ATOM 0 HA THR A 17 4.668 -10.789 -3.771 1.00 1.00 H new ATOM 0 HB THR A 17 3.458 -13.131 -5.269 1.00 1.00 H new ATOM 0 HG1 THR A 17 5.839 -13.538 -5.584 1.00 1.00 H new ATOM 0 HG21 THR A 17 4.709 -12.180 -7.174 1.00 1.00 H new ATOM 0 HG22 THR A 17 3.590 -10.969 -6.503 1.00 1.00 H new ATOM 0 HG23 THR A 17 5.328 -10.877 -6.132 1.00 1.00 H new ATOM 252 N VAL A 18 2.563 -9.674 -4.087 1.00 1.00 N ATOM 253 CA VAL A 18 1.314 -8.932 -4.138 1.00 1.00 C ATOM 254 C VAL A 18 1.426 -7.825 -5.188 1.00 1.00 C ATOM 255 O VAL A 18 2.359 -7.024 -5.154 1.00 1.00 O ATOM 256 CB VAL A 18 0.963 -8.403 -2.746 1.00 1.00 C ATOM 257 CG1 VAL A 18 -0.414 -7.737 -2.744 1.00 1.00 C ATOM 258 CG2 VAL A 18 1.036 -9.518 -1.701 1.00 1.00 C ATOM 0 H VAL A 18 3.399 -9.113 -4.250 1.00 1.00 H new ATOM 0 HA VAL A 18 0.494 -9.584 -4.440 1.00 1.00 H new ATOM 0 HB VAL A 18 1.701 -7.646 -2.479 1.00 1.00 H new ATOM 0 HG11 VAL A 18 -0.639 -7.370 -1.743 1.00 1.00 H new ATOM 0 HG12 VAL A 18 -0.416 -6.903 -3.445 1.00 1.00 H new ATOM 0 HG13 VAL A 18 -1.170 -8.463 -3.042 1.00 1.00 H new ATOM 0 HG21 VAL A 18 0.782 -9.115 -0.721 1.00 1.00 H new ATOM 0 HG22 VAL A 18 0.332 -10.308 -1.962 1.00 1.00 H new ATOM 0 HG23 VAL A 18 2.046 -9.926 -1.675 1.00 1.00 H new ATOM 268 N MET A 19 0.462 -7.815 -6.096 1.00 1.00 N ATOM 269 CA MET A 19 0.440 -6.819 -7.155 1.00 1.00 C ATOM 270 C MET A 19 -0.615 -5.747 -6.877 1.00 1.00 C ATOM 271 O MET A 19 -1.745 -6.063 -6.509 1.00 1.00 O ATOM 272 CB MET A 19 0.136 -7.500 -8.490 1.00 1.00 C ATOM 273 CG MET A 19 -1.209 -8.227 -8.442 1.00 1.00 C ATOM 274 SD MET A 19 -0.963 -9.982 -8.656 1.00 1.00 S ATOM 275 CE MET A 19 -2.245 -10.608 -7.583 1.00 1.00 C ATOM 0 H MET A 19 -0.310 -8.481 -6.121 1.00 1.00 H new ATOM 0 HA MET A 19 1.417 -6.338 -7.197 1.00 1.00 H new ATOM 0 HB2 MET A 19 0.123 -6.756 -9.287 1.00 1.00 H new ATOM 0 HB3 MET A 19 0.928 -8.209 -8.729 1.00 1.00 H new ATOM 0 HG2 MET A 19 -1.702 -8.034 -7.489 1.00 1.00 H new ATOM 0 HG3 MET A 19 -1.866 -7.846 -9.224 1.00 1.00 H new ATOM 0 HE1 MET A 19 -2.232 -11.698 -7.598 1.00 1.00 H new ATOM 0 HE2 MET A 19 -2.071 -10.257 -6.566 1.00 1.00 H new ATOM 0 HE3 MET A 19 -3.215 -10.252 -7.929 1.00 1.00 H new ATOM 285 N PHE A 20 -0.208 -4.500 -7.062 1.00 1.00 N ATOM 286 CA PHE A 20 -1.104 -3.378 -6.836 1.00 1.00 C ATOM 287 C PHE A 20 -1.380 -2.626 -8.139 1.00 1.00 C ATOM 288 O PHE A 20 -0.475 -2.160 -8.828 1.00 1.00 O ATOM 289 CB PHE A 20 -0.403 -2.436 -5.856 1.00 1.00 C ATOM 290 CG PHE A 20 -0.966 -1.014 -5.848 1.00 1.00 C ATOM 291 CD1 PHE A 20 -2.051 -0.716 -5.084 1.00 1.00 C ATOM 292 CD2 PHE A 20 -0.383 -0.047 -6.607 1.00 1.00 C ATOM 293 CE1 PHE A 20 -2.574 0.604 -5.077 1.00 1.00 C ATOM 294 CE2 PHE A 20 -0.906 1.273 -6.600 1.00 1.00 C ATOM 295 CZ PHE A 20 -1.991 1.571 -5.835 1.00 1.00 C ATOM 0 H PHE A 20 0.731 -4.241 -7.366 1.00 1.00 H new ATOM 0 HA PHE A 20 -2.057 -3.736 -6.445 1.00 1.00 H new ATOM 0 HB2 PHE A 20 -0.479 -2.851 -4.851 1.00 1.00 H new ATOM 0 HB3 PHE A 20 0.658 -2.394 -6.104 1.00 1.00 H new ATOM 0 HD1 PHE A 20 -2.515 -1.484 -4.482 1.00 1.00 H new ATOM 0 HD2 PHE A 20 0.478 -0.283 -7.215 1.00 1.00 H new ATOM 0 HE1 PHE A 20 -3.435 0.840 -4.469 1.00 1.00 H new ATOM 0 HE2 PHE A 20 -0.443 2.041 -7.202 1.00 1.00 H new ATOM 0 HZ PHE A 20 -2.389 2.575 -5.830 1.00 1.00 H new ATOM 305 N PRO A 21 -2.670 -2.516 -8.465 1.00 1.00 N ATOM 306 CA PRO A 21 -3.158 -1.845 -9.650 1.00 1.00 C ATOM 307 C PRO A 21 -3.354 -0.365 -9.355 1.00 1.00 C ATOM 308 O PRO A 21 -3.835 -0.027 -8.275 1.00 1.00 O ATOM 309 CB PRO A 21 -4.491 -2.522 -9.963 1.00 1.00 C ATOM 310 CG PRO A 21 -5.017 -2.753 -8.491 1.00 1.00 C ATOM 311 CD PRO A 21 -3.760 -3.052 -7.678 1.00 1.00 C ATOM 0 HA PRO A 21 -2.467 -1.913 -10.490 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -5.155 -1.888 -10.551 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -4.368 -3.454 -10.515 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -5.535 -1.872 -8.112 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -5.724 -3.581 -8.448 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -3.805 -2.583 -6.695 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -3.640 -4.123 -7.515 1.00 1.00 H new ATOM 319 N HIS A 22 -2.982 0.490 -10.308 1.00 1.00 N ATOM 320 CA HIS A 22 -3.108 1.936 -10.168 1.00 1.00 C ATOM 321 C HIS A 22 -4.507 2.384 -10.629 1.00 1.00 C ATOM 322 O HIS A 22 -5.065 3.332 -10.078 1.00 1.00 O ATOM 323 CB HIS A 22 -1.949 2.611 -10.918 1.00 1.00 C ATOM 324 CG HIS A 22 -0.718 2.944 -10.108 1.00 1.00 C ATOM 325 ND1 HIS A 22 0.423 2.257 -10.216 1.00 1.00 N ATOM 326 CD2 HIS A 22 -0.488 3.921 -9.168 1.00 1.00 C ATOM 327 CE1 HIS A 22 1.328 2.784 -9.377 1.00 1.00 C ATOM 328 NE2 HIS A 22 0.817 3.815 -8.705 1.00 1.00 N ATOM 0 H HIS A 22 -2.584 0.196 -11.200 1.00 1.00 H new ATOM 0 HA HIS A 22 -3.028 2.244 -9.126 1.00 1.00 H new ATOM 0 HB2 HIS A 22 -1.650 1.959 -11.739 1.00 1.00 H new ATOM 0 HB3 HIS A 22 -2.323 3.533 -11.363 1.00 1.00 H new ATOM 0 HD1 HIS A 22 0.580 1.462 -10.835 1.00 1.00 H new ATOM 0 HD2 HIS A 22 -1.209 4.656 -8.841 1.00 1.00 H new ATOM 0 HE1 HIS A 22 2.338 2.420 -9.262 1.00 1.00 H new ATOM 336 N ALA A 23 -5.026 1.684 -11.627 1.00 1.00 N ATOM 337 CA ALA A 23 -6.340 2.001 -12.159 1.00 1.00 C ATOM 338 C ALA A 23 -7.327 2.166 -11.002 1.00 1.00 C ATOM 339 O ALA A 23 -8.004 3.182 -10.861 1.00 1.00 O ATOM 340 CB ALA A 23 -6.770 0.910 -13.141 1.00 1.00 C ATOM 0 H ALA A 23 -4.560 0.898 -12.081 1.00 1.00 H new ATOM 0 HA ALA A 23 -6.315 2.942 -12.708 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -7.756 1.148 -13.540 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -6.052 0.853 -13.959 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -6.809 -0.049 -12.625 1.00 1.00 H new ATOM 346 N PRO A 24 -7.394 1.127 -10.165 1.00 1.00 N ATOM 347 CA PRO A 24 -8.257 1.069 -9.005 1.00 1.00 C ATOM 348 C PRO A 24 -7.844 2.142 -8.007 1.00 1.00 C ATOM 349 O PRO A 24 -8.524 2.317 -6.998 1.00 1.00 O ATOM 350 CB PRO A 24 -8.042 -0.328 -8.427 1.00 1.00 C ATOM 351 CG PRO A 24 -7.427 -1.160 -9.588 1.00 1.00 C ATOM 352 CD PRO A 24 -6.613 -0.083 -10.301 1.00 1.00 C ATOM 0 HA PRO A 24 -9.305 1.246 -9.246 1.00 1.00 H new ATOM 0 HB2 PRO A 24 -7.374 -0.299 -7.566 1.00 1.00 H new ATOM 0 HB3 PRO A 24 -8.982 -0.762 -8.086 1.00 1.00 H new ATOM 0 HG2 PRO A 24 -6.805 -1.979 -9.227 1.00 1.00 H new ATOM 0 HG3 PRO A 24 -8.189 -1.599 -10.233 1.00 1.00 H new ATOM 0 HD2 PRO A 24 -5.627 0.030 -9.850 1.00 1.00 H new ATOM 0 HD3 PRO A 24 -6.456 -0.336 -11.350 1.00 1.00 H new ATOM 360 N HIS A 25 -6.744 2.837 -8.298 1.00 1.00 N ATOM 361 CA HIS A 25 -6.225 3.894 -7.438 1.00 1.00 C ATOM 362 C HIS A 25 -5.846 5.120 -8.289 1.00 1.00 C ATOM 363 O HIS A 25 -4.830 5.762 -8.031 1.00 1.00 O ATOM 364 CB HIS A 25 -5.070 3.329 -6.597 1.00 1.00 C ATOM 365 CG HIS A 25 -5.388 2.138 -5.721 1.00 1.00 C ATOM 366 ND1 HIS A 25 -5.280 0.878 -6.153 1.00 1.00 N ATOM 367 CD2 HIS A 25 -5.815 2.061 -4.417 1.00 1.00 C ATOM 368 CE1 HIS A 25 -5.627 0.048 -5.157 1.00 1.00 C ATOM 369 NE2 HIS A 25 -5.966 0.726 -4.062 1.00 1.00 N ATOM 0 H HIS A 25 -6.189 2.680 -9.139 1.00 1.00 H new ATOM 0 HA HIS A 25 -6.982 4.244 -6.736 1.00 1.00 H new ATOM 0 HB2 HIS A 25 -4.262 3.048 -7.273 1.00 1.00 H new ATOM 0 HB3 HIS A 25 -4.690 4.128 -5.960 1.00 1.00 H new ATOM 0 HD1 HIS A 25 -4.983 0.594 -7.086 1.00 1.00 H new ATOM 0 HD2 HIS A 25 -6.004 2.905 -3.770 1.00 1.00 H new ATOM 0 HE1 HIS A 25 -5.631 -1.029 -5.234 1.00 1.00 H new ATOM 377 N GLU A 26 -6.681 5.402 -9.278 1.00 1.00 N ATOM 378 CA GLU A 26 -6.444 6.534 -10.159 1.00 1.00 C ATOM 379 C GLU A 26 -7.314 7.721 -9.744 1.00 1.00 C ATOM 380 O GLU A 26 -7.329 8.750 -10.417 1.00 1.00 O ATOM 381 CB GLU A 26 -6.694 6.154 -11.619 1.00 1.00 C ATOM 382 CG GLU A 26 -6.768 7.400 -12.505 1.00 1.00 C ATOM 383 CD GLU A 26 -6.411 7.064 -13.954 1.00 1.00 C ATOM 384 OE1 GLU A 26 -6.686 5.948 -14.418 1.00 1.00 O ATOM 385 OE2 GLU A 26 -5.828 8.013 -14.605 1.00 1.00 O ATOM 0 H GLU A 26 -7.523 4.866 -9.489 1.00 1.00 H new ATOM 0 HA GLU A 26 -5.398 6.827 -10.069 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -5.895 5.500 -11.970 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -7.624 5.591 -11.698 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -7.772 7.822 -12.463 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -6.086 8.161 -12.126 1.00 1.00 H new ATOM 393 N LYS A 27 -8.019 7.539 -8.637 1.00 1.00 N ATOM 394 CA LYS A 27 -8.891 8.583 -8.124 1.00 1.00 C ATOM 395 C LYS A 27 -8.345 9.086 -6.787 1.00 1.00 C ATOM 396 O LYS A 27 -8.667 10.192 -6.357 1.00 1.00 O ATOM 397 CB LYS A 27 -10.336 8.086 -8.051 1.00 1.00 C ATOM 398 CG LYS A 27 -11.209 8.780 -9.099 1.00 1.00 C ATOM 399 CD LYS A 27 -12.689 8.460 -8.879 1.00 1.00 C ATOM 400 CE LYS A 27 -13.486 9.731 -8.583 1.00 1.00 C ATOM 401 NZ LYS A 27 -14.914 9.408 -8.363 1.00 1.00 N ATOM 0 H LYS A 27 -8.004 6.684 -8.081 1.00 1.00 H new ATOM 0 HA LYS A 27 -8.906 9.435 -8.803 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -10.362 7.008 -8.208 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -10.739 8.273 -7.056 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -11.055 9.858 -9.050 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -10.909 8.461 -10.097 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -13.094 7.970 -9.764 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -12.794 7.759 -8.051 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -13.079 10.226 -7.701 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -13.389 10.430 -9.414 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -15.441 10.282 -8.163 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -15.303 8.956 -9.215 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -15.003 8.758 -7.556 1.00 1.00 H new ATOM 414 N VAL A 28 -7.527 8.248 -6.165 1.00 1.00 N ATOM 415 CA VAL A 28 -6.933 8.594 -4.885 1.00 1.00 C ATOM 416 C VAL A 28 -5.670 9.425 -5.122 1.00 1.00 C ATOM 417 O VAL A 28 -4.768 8.999 -5.841 1.00 1.00 O ATOM 418 CB VAL A 28 -6.671 7.326 -4.070 1.00 1.00 C ATOM 419 CG1 VAL A 28 -6.191 7.671 -2.659 1.00 1.00 C ATOM 420 CG2 VAL A 28 -7.915 6.437 -4.024 1.00 1.00 C ATOM 0 H VAL A 28 -7.262 7.331 -6.524 1.00 1.00 H new ATOM 0 HA VAL A 28 -7.619 9.205 -4.298 1.00 1.00 H new ATOM 0 HB VAL A 28 -5.878 6.767 -4.566 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -6.012 6.752 -2.101 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -5.266 8.245 -2.719 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -6.952 8.262 -2.150 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -7.702 5.543 -3.439 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -8.737 6.985 -3.563 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -8.194 6.149 -5.038 1.00 1.00 H new ATOM 430 N GLU A 29 -5.647 10.596 -4.503 1.00 1.00 N ATOM 431 CA GLU A 29 -4.509 11.491 -4.637 1.00 1.00 C ATOM 432 C GLU A 29 -3.202 10.718 -4.452 1.00 1.00 C ATOM 433 O GLU A 29 -3.070 9.928 -3.519 1.00 1.00 O ATOM 434 CB GLU A 29 -4.605 12.652 -3.645 1.00 1.00 C ATOM 435 CG GLU A 29 -5.016 13.944 -4.352 1.00 1.00 C ATOM 436 CD GLU A 29 -5.794 14.863 -3.406 1.00 1.00 C ATOM 437 OE1 GLU A 29 -7.000 15.074 -3.600 1.00 1.00 O ATOM 438 OE2 GLU A 29 -5.101 15.364 -2.441 1.00 1.00 O ATOM 0 H GLU A 29 -6.397 10.946 -3.908 1.00 1.00 H new ATOM 0 HA GLU A 29 -4.519 11.913 -5.642 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -5.331 12.412 -2.868 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -3.644 12.793 -3.151 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -4.129 14.460 -4.719 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -5.629 13.708 -5.222 1.00 1.00 H new ATOM 446 N CYS A 30 -2.268 10.973 -5.357 1.00 1.00 N ATOM 447 CA CYS A 30 -0.976 10.311 -5.306 1.00 1.00 C ATOM 448 C CYS A 30 -0.436 10.421 -3.878 1.00 1.00 C ATOM 449 O CYS A 30 -0.228 9.409 -3.210 1.00 1.00 O ATOM 450 CB CYS A 30 -0.001 10.894 -6.331 1.00 1.00 C ATOM 451 SG CYS A 30 -0.715 11.183 -7.991 1.00 1.00 S ATOM 0 H CYS A 30 -2.381 11.629 -6.130 1.00 1.00 H new ATOM 0 HA CYS A 30 -1.092 9.260 -5.570 1.00 1.00 H new ATOM 0 HB2 CYS A 30 0.386 11.838 -5.948 1.00 1.00 H new ATOM 0 HB3 CYS A 30 0.849 10.218 -6.429 1.00 1.00 H new ATOM 456 N VAL A 31 -0.225 11.658 -3.453 1.00 1.00 N ATOM 457 CA VAL A 31 0.287 11.913 -2.118 1.00 1.00 C ATOM 458 C VAL A 31 -0.377 10.952 -1.130 1.00 1.00 C ATOM 459 O VAL A 31 0.305 10.278 -0.359 1.00 1.00 O ATOM 460 CB VAL A 31 0.082 13.384 -1.750 1.00 1.00 C ATOM 461 CG1 VAL A 31 -1.385 13.790 -1.914 1.00 1.00 C ATOM 462 CG2 VAL A 31 0.575 13.669 -0.331 1.00 1.00 C ATOM 0 H VAL A 31 -0.399 12.495 -4.010 1.00 1.00 H new ATOM 0 HA VAL A 31 1.361 11.729 -2.080 1.00 1.00 H new ATOM 0 HB VAL A 31 0.676 13.987 -2.437 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -1.504 14.840 -1.646 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -1.690 13.643 -2.950 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -2.007 13.177 -1.262 1.00 1.00 H new ATOM 0 HG21 VAL A 31 0.417 14.722 -0.096 1.00 1.00 H new ATOM 0 HG22 VAL A 31 0.022 13.052 0.377 1.00 1.00 H new ATOM 0 HG23 VAL A 31 1.638 13.437 -0.262 1.00 1.00 H new ATOM 472 N THR A 32 -1.701 10.920 -1.184 1.00 1.00 N ATOM 473 CA THR A 32 -2.465 10.052 -0.303 1.00 1.00 C ATOM 474 C THR A 32 -1.739 8.720 -0.105 1.00 1.00 C ATOM 475 O THR A 32 -1.788 8.138 0.977 1.00 1.00 O ATOM 476 CB THR A 32 -3.868 9.898 -0.893 1.00 1.00 C ATOM 477 OG1 THR A 32 -4.174 11.192 -1.407 1.00 1.00 O ATOM 478 CG2 THR A 32 -4.932 9.663 0.181 1.00 1.00 C ATOM 0 H THR A 32 -2.264 11.481 -1.824 1.00 1.00 H new ATOM 0 HA THR A 32 -2.561 10.484 0.693 1.00 1.00 H new ATOM 0 HB THR A 32 -3.875 9.068 -1.599 1.00 1.00 H new ATOM 0 HG1 THR A 32 -4.976 11.539 -0.963 1.00 1.00 H new ATOM 0 HG21 THR A 32 -5.909 9.561 -0.291 1.00 1.00 H new ATOM 0 HG22 THR A 32 -4.698 8.752 0.732 1.00 1.00 H new ATOM 0 HG23 THR A 32 -4.948 10.509 0.868 1.00 1.00 H new ATOM 486 N CYS A 33 -1.082 8.277 -1.167 1.00 1.00 N ATOM 487 CA CYS A 33 -0.347 7.025 -1.123 1.00 1.00 C ATOM 488 C CYS A 33 1.148 7.346 -1.096 1.00 1.00 C ATOM 489 O CYS A 33 1.880 6.867 -0.233 1.00 1.00 O ATOM 490 CB CYS A 33 -0.714 6.113 -2.296 1.00 1.00 C ATOM 491 SG CYS A 33 -1.780 4.744 -1.715 1.00 1.00 S ATOM 0 H CYS A 33 -1.044 8.763 -2.063 1.00 1.00 H new ATOM 0 HA CYS A 33 -0.615 6.474 -0.221 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -1.231 6.686 -3.065 1.00 1.00 H new ATOM 0 HB3 CYS A 33 0.191 5.712 -2.752 1.00 1.00 H new ATOM 496 N HIS A 34 1.566 8.165 -2.061 1.00 1.00 N ATOM 497 CA HIS A 34 2.957 8.585 -2.196 1.00 1.00 C ATOM 498 C HIS A 34 3.225 9.799 -1.287 1.00 1.00 C ATOM 499 O HIS A 34 3.373 10.919 -1.770 1.00 1.00 O ATOM 500 CB HIS A 34 3.260 8.829 -3.682 1.00 1.00 C ATOM 501 CG HIS A 34 3.224 7.621 -4.590 1.00 1.00 C ATOM 502 ND1 HIS A 34 4.236 6.751 -4.671 1.00 1.00 N ATOM 503 CD2 HIS A 34 2.259 7.167 -5.457 1.00 1.00 C ATOM 504 CE1 HIS A 34 3.914 5.793 -5.554 1.00 1.00 C ATOM 505 NE2 HIS A 34 2.703 6.001 -6.069 1.00 1.00 N ATOM 0 H HIS A 34 0.947 8.556 -2.771 1.00 1.00 H new ATOM 0 HA HIS A 34 3.643 7.808 -1.860 1.00 1.00 H new ATOM 0 HB2 HIS A 34 2.545 9.560 -4.059 1.00 1.00 H new ATOM 0 HB3 HIS A 34 4.248 9.282 -3.758 1.00 1.00 H new ATOM 0 HD1 HIS A 34 5.110 6.806 -4.147 1.00 1.00 H new ATOM 0 HD2 HIS A 34 1.305 7.642 -5.635 1.00 1.00 H new ATOM 0 HE1 HIS A 34 4.553 4.962 -5.813 1.00 1.00 H new ATOM 513 N HIS A 35 3.282 9.532 0.018 1.00 1.00 N ATOM 514 CA HIS A 35 3.528 10.558 1.025 1.00 1.00 C ATOM 515 C HIS A 35 4.745 11.408 0.616 1.00 1.00 C ATOM 516 O HIS A 35 5.556 10.974 -0.200 1.00 1.00 O ATOM 517 CB HIS A 35 3.661 9.884 2.399 1.00 1.00 C ATOM 518 CG HIS A 35 4.944 9.132 2.665 1.00 1.00 C ATOM 519 ND1 HIS A 35 6.145 9.717 2.611 1.00 1.00 N ATOM 520 CD2 HIS A 35 5.174 7.817 2.992 1.00 1.00 C ATOM 521 CE1 HIS A 35 7.086 8.801 2.892 1.00 1.00 C ATOM 522 NE2 HIS A 35 6.540 7.611 3.135 1.00 1.00 N ATOM 0 H HIS A 35 3.158 8.596 0.405 1.00 1.00 H new ATOM 0 HA HIS A 35 2.692 11.254 1.098 1.00 1.00 H new ATOM 0 HB2 HIS A 35 3.551 10.651 3.166 1.00 1.00 H new ATOM 0 HB3 HIS A 35 2.829 9.190 2.520 1.00 1.00 H new ATOM 0 HD1 HIS A 35 6.318 10.698 2.392 1.00 1.00 H new ATOM 0 HD2 HIS A 35 4.412 7.062 3.118 1.00 1.00 H new ATOM 0 HE1 HIS A 35 8.147 9.003 2.918 1.00 1.00 H new ATOM 530 N LEU A 36 4.830 12.594 1.201 1.00 1.00 N ATOM 531 CA LEU A 36 5.930 13.496 0.906 1.00 1.00 C ATOM 532 C LEU A 36 7.111 13.170 1.822 1.00 1.00 C ATOM 533 O LEU A 36 6.923 12.668 2.929 1.00 1.00 O ATOM 534 CB LEU A 36 5.467 14.952 0.993 1.00 1.00 C ATOM 535 CG LEU A 36 4.023 15.223 0.565 1.00 1.00 C ATOM 536 CD1 LEU A 36 3.170 15.655 1.759 1.00 1.00 C ATOM 537 CD2 LEU A 36 3.972 16.243 -0.574 1.00 1.00 C ATOM 0 H LEU A 36 4.155 12.951 1.878 1.00 1.00 H new ATOM 0 HA LEU A 36 6.273 13.356 -0.119 1.00 1.00 H new ATOM 0 HB2 LEU A 36 5.590 15.291 2.022 1.00 1.00 H new ATOM 0 HB3 LEU A 36 6.128 15.560 0.376 1.00 1.00 H new ATOM 0 HG LEU A 36 3.599 14.294 0.185 1.00 1.00 H new ATOM 0 HD11 LEU A 36 2.148 15.841 1.428 1.00 1.00 H new ATOM 0 HD12 LEU A 36 3.170 14.865 2.510 1.00 1.00 H new ATOM 0 HD13 LEU A 36 3.583 16.566 2.191 1.00 1.00 H new ATOM 0 HD21 LEU A 36 2.935 16.418 -0.860 1.00 1.00 H new ATOM 0 HD22 LEU A 36 4.420 17.180 -0.244 1.00 1.00 H new ATOM 0 HD23 LEU A 36 4.524 15.859 -1.431 1.00 1.00 H new ATOM 549 N VAL A 37 8.303 13.469 1.327 1.00 1.00 N ATOM 550 CA VAL A 37 9.515 13.215 2.088 1.00 1.00 C ATOM 551 C VAL A 37 10.264 14.531 2.301 1.00 1.00 C ATOM 552 O VAL A 37 10.772 15.123 1.349 1.00 1.00 O ATOM 553 CB VAL A 37 10.361 12.153 1.383 1.00 1.00 C ATOM 554 CG1 VAL A 37 11.665 11.899 2.142 1.00 1.00 C ATOM 555 CG2 VAL A 37 9.572 10.855 1.200 1.00 1.00 C ATOM 0 H VAL A 37 8.456 13.885 0.408 1.00 1.00 H new ATOM 0 HA VAL A 37 9.271 12.817 3.073 1.00 1.00 H new ATOM 0 HB VAL A 37 10.617 12.532 0.393 1.00 1.00 H new ATOM 0 HG11 VAL A 37 12.248 11.140 1.620 1.00 1.00 H new ATOM 0 HG12 VAL A 37 12.240 12.824 2.197 1.00 1.00 H new ATOM 0 HG13 VAL A 37 11.438 11.552 3.150 1.00 1.00 H new ATOM 0 HG21 VAL A 37 10.197 10.117 0.696 1.00 1.00 H new ATOM 0 HG22 VAL A 37 9.272 10.471 2.175 1.00 1.00 H new ATOM 0 HG23 VAL A 37 8.685 11.050 0.598 1.00 1.00 H new ATOM 565 N ASP A 38 10.310 14.953 3.557 1.00 1.00 N ATOM 566 CA ASP A 38 10.989 16.189 3.907 1.00 1.00 C ATOM 567 C ASP A 38 10.410 17.336 3.077 1.00 1.00 C ATOM 568 O ASP A 38 11.149 18.192 2.594 1.00 1.00 O ATOM 569 CB ASP A 38 12.486 16.098 3.609 1.00 1.00 C ATOM 570 CG ASP A 38 13.396 16.711 4.676 1.00 1.00 C ATOM 571 OD1 ASP A 38 13.095 17.774 5.238 1.00 1.00 O ATOM 572 OD2 ASP A 38 14.470 16.041 4.927 1.00 1.00 O ATOM 0 H ASP A 38 9.888 14.461 4.344 1.00 1.00 H new ATOM 0 HA ASP A 38 10.844 16.364 4.973 1.00 1.00 H new ATOM 0 HB2 ASP A 38 12.753 15.049 3.484 1.00 1.00 H new ATOM 0 HB3 ASP A 38 12.683 16.592 2.658 1.00 1.00 H new ATOM 578 N GLY A 39 9.092 17.317 2.938 1.00 1.00 N ATOM 579 CA GLY A 39 8.406 18.346 2.175 1.00 1.00 C ATOM 580 C GLY A 39 8.988 18.463 0.765 1.00 1.00 C ATOM 581 O GLY A 39 9.138 19.566 0.241 1.00 1.00 O ATOM 0 H GLY A 39 8.482 16.606 3.341 1.00 1.00 H new ATOM 0 HA2 GLY A 39 7.343 18.112 2.115 1.00 1.00 H new ATOM 0 HA3 GLY A 39 8.493 19.303 2.689 1.00 1.00 H new ATOM 585 N LYS A 40 9.300 17.310 0.191 1.00 1.00 N ATOM 586 CA LYS A 40 9.863 17.270 -1.149 1.00 1.00 C ATOM 587 C LYS A 40 9.157 16.182 -1.961 1.00 1.00 C ATOM 588 O LYS A 40 9.395 14.993 -1.751 1.00 1.00 O ATOM 589 CB LYS A 40 11.382 17.103 -1.087 1.00 1.00 C ATOM 590 CG LYS A 40 12.084 18.140 -1.966 1.00 1.00 C ATOM 591 CD LYS A 40 13.255 17.512 -2.726 1.00 1.00 C ATOM 592 CE LYS A 40 13.191 17.860 -4.215 1.00 1.00 C ATOM 593 NZ LYS A 40 14.545 17.838 -4.811 1.00 1.00 N ATOM 0 H LYS A 40 9.174 16.397 0.629 1.00 1.00 H new ATOM 0 HA LYS A 40 9.691 18.215 -1.664 1.00 1.00 H new ATOM 0 HB2 LYS A 40 11.721 17.206 -0.056 1.00 1.00 H new ATOM 0 HB3 LYS A 40 11.655 16.100 -1.414 1.00 1.00 H new ATOM 0 HG2 LYS A 40 11.372 18.564 -2.674 1.00 1.00 H new ATOM 0 HG3 LYS A 40 12.446 18.961 -1.347 1.00 1.00 H new ATOM 0 HD2 LYS A 40 14.197 17.865 -2.306 1.00 1.00 H new ATOM 0 HD3 LYS A 40 13.236 16.429 -2.601 1.00 1.00 H new ATOM 0 HE2 LYS A 40 12.548 17.149 -4.733 1.00 1.00 H new ATOM 0 HE3 LYS A 40 12.746 18.846 -4.345 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 14.483 18.076 -5.821 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 15.148 18.533 -4.327 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 14.956 16.889 -4.704 1.00 1.00 H new ATOM 606 N GLU A 41 8.304 16.628 -2.871 1.00 1.00 N ATOM 607 CA GLU A 41 7.562 15.707 -3.715 1.00 1.00 C ATOM 608 C GLU A 41 8.497 14.639 -4.286 1.00 1.00 C ATOM 609 O GLU A 41 9.499 14.962 -4.923 1.00 1.00 O ATOM 610 CB GLU A 41 6.835 16.454 -4.835 1.00 1.00 C ATOM 611 CG GLU A 41 5.581 17.152 -4.305 1.00 1.00 C ATOM 612 CD GLU A 41 5.421 18.540 -4.930 1.00 1.00 C ATOM 613 OE1 GLU A 41 5.572 18.691 -6.151 1.00 1.00 O ATOM 614 OE2 GLU A 41 5.127 19.481 -4.098 1.00 1.00 O ATOM 0 H GLU A 41 8.110 17.615 -3.042 1.00 1.00 H new ATOM 0 HA GLU A 41 6.808 15.212 -3.103 1.00 1.00 H new ATOM 0 HB2 GLU A 41 7.504 17.190 -5.280 1.00 1.00 H new ATOM 0 HB3 GLU A 41 6.560 15.755 -5.625 1.00 1.00 H new ATOM 0 HG2 GLU A 41 4.702 16.546 -4.526 1.00 1.00 H new ATOM 0 HG3 GLU A 41 5.641 17.242 -3.220 1.00 1.00 H new ATOM 622 N SER A 42 8.138 13.388 -4.036 1.00 1.00 N ATOM 623 CA SER A 42 8.932 12.271 -4.517 1.00 1.00 C ATOM 624 C SER A 42 8.015 11.137 -4.978 1.00 1.00 C ATOM 625 O SER A 42 6.821 11.104 -4.691 1.00 1.00 O ATOM 626 CB SER A 42 9.892 11.771 -3.435 1.00 1.00 C ATOM 627 OG SER A 42 9.403 10.599 -2.788 1.00 1.00 O ATOM 0 H SER A 42 7.307 13.124 -3.506 1.00 1.00 H new ATOM 0 HA SER A 42 9.528 12.614 -5.363 1.00 1.00 H new ATOM 0 HB2 SER A 42 10.864 11.560 -3.882 1.00 1.00 H new ATOM 0 HB3 SER A 42 10.045 12.557 -2.695 1.00 1.00 H new ATOM 0 HG SER A 42 10.044 10.310 -2.106 1.00 1.00 H new ATOM 633 N TYR A 43 8.610 10.193 -5.712 1.00 1.00 N ATOM 634 CA TYR A 43 7.879 9.053 -6.227 1.00 1.00 C ATOM 635 C TYR A 43 8.830 7.885 -6.446 1.00 1.00 C ATOM 636 O TYR A 43 8.891 7.370 -7.562 1.00 1.00 O ATOM 637 CB TYR A 43 7.188 9.441 -7.531 1.00 1.00 C ATOM 638 CG TYR A 43 6.038 10.401 -7.342 1.00 1.00 C ATOM 639 CD1 TYR A 43 6.291 11.757 -7.102 1.00 1.00 C ATOM 640 CD2 TYR A 43 4.720 9.936 -7.407 1.00 1.00 C ATOM 641 CE1 TYR A 43 5.226 12.648 -6.927 1.00 1.00 C ATOM 642 CE2 TYR A 43 3.654 10.826 -7.232 1.00 1.00 C ATOM 643 CZ TYR A 43 3.907 12.182 -6.992 1.00 1.00 C ATOM 644 OH TYR A 43 2.868 13.050 -6.822 1.00 1.00 O ATOM 0 H TYR A 43 9.600 10.204 -5.959 1.00 1.00 H new ATOM 0 HA TYR A 43 7.121 8.746 -5.506 1.00 1.00 H new ATOM 0 HB2 TYR A 43 7.920 9.892 -8.201 1.00 1.00 H new ATOM 0 HB3 TYR A 43 6.821 8.539 -8.021 1.00 1.00 H new ATOM 0 HD1 TYR A 43 7.309 12.116 -7.052 1.00 1.00 H new ATOM 0 HD2 TYR A 43 4.525 8.890 -7.592 1.00 1.00 H new ATOM 0 HE1 TYR A 43 5.421 13.694 -6.742 1.00 1.00 H new ATOM 0 HE2 TYR A 43 2.637 10.467 -7.282 1.00 1.00 H new ATOM 0 HH TYR A 43 2.038 12.630 -7.130 1.00 1.00 H new ATOM 654 N ALA A 44 9.543 7.496 -5.400 1.00 1.00 N ATOM 655 CA ALA A 44 10.481 6.391 -5.502 1.00 1.00 C ATOM 656 C ALA A 44 9.807 5.109 -5.009 1.00 1.00 C ATOM 657 O ALA A 44 8.960 5.151 -4.118 1.00 1.00 O ATOM 658 CB ALA A 44 11.750 6.723 -4.714 1.00 1.00 C ATOM 0 H ALA A 44 9.490 7.926 -4.477 1.00 1.00 H new ATOM 0 HA ALA A 44 10.775 6.231 -6.540 1.00 1.00 H new ATOM 0 HB1 ALA A 44 12.453 5.894 -4.791 1.00 1.00 H new ATOM 0 HB2 ALA A 44 12.206 7.625 -5.122 1.00 1.00 H new ATOM 0 HB3 ALA A 44 11.496 6.887 -3.667 1.00 1.00 H new ATOM 664 N LYS A 45 10.209 3.998 -5.611 1.00 1.00 N ATOM 665 CA LYS A 45 9.655 2.706 -5.244 1.00 1.00 C ATOM 666 C LYS A 45 9.601 2.593 -3.719 1.00 1.00 C ATOM 667 O LYS A 45 10.392 3.223 -3.019 1.00 1.00 O ATOM 668 CB LYS A 45 10.437 1.577 -5.918 1.00 1.00 C ATOM 669 CG LYS A 45 11.899 1.578 -5.466 1.00 1.00 C ATOM 670 CD LYS A 45 12.772 0.778 -6.434 1.00 1.00 C ATOM 671 CE LYS A 45 14.249 1.142 -6.270 1.00 1.00 C ATOM 672 NZ LYS A 45 15.093 -0.072 -6.331 1.00 1.00 N ATOM 0 H LYS A 45 10.911 3.967 -6.350 1.00 1.00 H new ATOM 0 HA LYS A 45 8.631 2.614 -5.606 1.00 1.00 H new ATOM 0 HB2 LYS A 45 9.979 0.618 -5.677 1.00 1.00 H new ATOM 0 HB3 LYS A 45 10.387 1.691 -7.001 1.00 1.00 H new ATOM 0 HG2 LYS A 45 12.264 2.603 -5.404 1.00 1.00 H new ATOM 0 HG3 LYS A 45 11.974 1.152 -4.466 1.00 1.00 H new ATOM 0 HD2 LYS A 45 12.635 -0.289 -6.256 1.00 1.00 H new ATOM 0 HD3 LYS A 45 12.457 0.973 -7.459 1.00 1.00 H new ATOM 0 HE2 LYS A 45 14.547 1.839 -7.054 1.00 1.00 H new ATOM 0 HE3 LYS A 45 14.401 1.650 -5.318 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 16.092 0.194 -6.218 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 14.820 -0.724 -5.568 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 14.961 -0.541 -7.250 1.00 1.00 H new ATOM 685 N CYS A 46 8.662 1.786 -3.250 1.00 1.00 N ATOM 686 CA CYS A 46 8.495 1.582 -1.821 1.00 1.00 C ATOM 687 C CYS A 46 9.855 1.211 -1.227 1.00 1.00 C ATOM 688 O CYS A 46 10.220 1.691 -0.155 1.00 1.00 O ATOM 689 CB CYS A 46 7.433 0.522 -1.521 1.00 1.00 C ATOM 690 SG CYS A 46 5.977 1.135 -0.598 1.00 1.00 S ATOM 0 H CYS A 46 8.008 1.265 -3.834 1.00 1.00 H new ATOM 0 HA CYS A 46 8.136 2.502 -1.359 1.00 1.00 H new ATOM 0 HB2 CYS A 46 7.094 0.091 -2.463 1.00 1.00 H new ATOM 0 HB3 CYS A 46 7.895 -0.284 -0.950 1.00 1.00 H new ATOM 695 N GLY A 47 10.569 0.360 -1.950 1.00 1.00 N ATOM 696 CA GLY A 47 11.880 -0.081 -1.507 1.00 1.00 C ATOM 697 C GLY A 47 12.988 0.734 -2.178 1.00 1.00 C ATOM 698 O GLY A 47 13.854 0.175 -2.849 1.00 1.00 O ATOM 0 H GLY A 47 10.264 -0.035 -2.839 1.00 1.00 H new ATOM 0 HA2 GLY A 47 11.955 0.019 -0.424 1.00 1.00 H new ATOM 0 HA3 GLY A 47 12.010 -1.138 -1.739 1.00 1.00 H new ATOM 702 N SER A 48 12.923 2.041 -1.974 1.00 1.00 N ATOM 703 CA SER A 48 13.910 2.938 -2.551 1.00 1.00 C ATOM 704 C SER A 48 15.055 3.162 -1.562 1.00 1.00 C ATOM 705 O SER A 48 14.941 2.821 -0.386 1.00 1.00 O ATOM 706 CB SER A 48 13.277 4.275 -2.942 1.00 1.00 C ATOM 707 OG SER A 48 14.252 5.227 -3.356 1.00 1.00 O ATOM 0 H SER A 48 12.202 2.501 -1.417 1.00 1.00 H new ATOM 0 HA SER A 48 14.305 2.476 -3.455 1.00 1.00 H new ATOM 0 HB2 SER A 48 12.561 4.115 -3.749 1.00 1.00 H new ATOM 0 HB3 SER A 48 12.719 4.673 -2.095 1.00 1.00 H new ATOM 0 HG SER A 48 14.478 5.812 -2.603 1.00 1.00 H new ATOM 713 N SER A 49 16.134 3.736 -2.076 1.00 1.00 N ATOM 714 CA SER A 49 17.299 4.009 -1.252 1.00 1.00 C ATOM 715 C SER A 49 16.905 4.884 -0.061 1.00 1.00 C ATOM 716 O SER A 49 16.166 5.856 -0.217 1.00 1.00 O ATOM 717 CB SER A 49 18.403 4.688 -2.067 1.00 1.00 C ATOM 718 OG SER A 49 19.631 3.968 -2.007 1.00 1.00 O ATOM 0 H SER A 49 16.225 4.019 -3.052 1.00 1.00 H new ATOM 0 HA SER A 49 17.687 3.059 -0.884 1.00 1.00 H new ATOM 0 HB2 SER A 49 18.085 4.776 -3.106 1.00 1.00 H new ATOM 0 HB3 SER A 49 18.558 5.701 -1.694 1.00 1.00 H new ATOM 0 HG SER A 49 20.309 4.433 -2.541 1.00 1.00 H new ATOM 724 N GLY A 50 17.414 4.509 1.103 1.00 1.00 N ATOM 725 CA GLY A 50 17.124 5.247 2.320 1.00 1.00 C ATOM 726 C GLY A 50 15.616 5.325 2.568 1.00 1.00 C ATOM 727 O GLY A 50 15.108 6.356 3.005 1.00 1.00 O ATOM 0 H GLY A 50 18.026 3.703 1.229 1.00 1.00 H new ATOM 0 HA2 GLY A 50 17.611 4.764 3.167 1.00 1.00 H new ATOM 0 HA3 GLY A 50 17.537 6.253 2.246 1.00 1.00 H new ATOM 731 N CYS A 51 14.944 4.221 2.279 1.00 1.00 N ATOM 732 CA CYS A 51 13.505 4.150 2.465 1.00 1.00 C ATOM 733 C CYS A 51 13.170 2.812 3.126 1.00 1.00 C ATOM 734 O CYS A 51 13.913 2.326 3.977 1.00 1.00 O ATOM 735 CB CYS A 51 12.754 4.338 1.145 1.00 1.00 C ATOM 736 SG CYS A 51 13.411 5.794 0.253 1.00 1.00 S ATOM 0 H CYS A 51 15.370 3.368 1.917 1.00 1.00 H new ATOM 0 HA CYS A 51 13.180 4.965 3.112 1.00 1.00 H new ATOM 0 HB2 CYS A 51 12.858 3.446 0.528 1.00 1.00 H new ATOM 0 HB3 CYS A 51 11.689 4.470 1.338 1.00 1.00 H new ATOM 741 N HIS A 52 12.039 2.243 2.707 1.00 1.00 N ATOM 742 CA HIS A 52 11.557 0.967 3.222 1.00 1.00 C ATOM 743 C HIS A 52 12.124 -0.185 2.372 1.00 1.00 C ATOM 744 O HIS A 52 11.412 -0.750 1.543 1.00 1.00 O ATOM 745 CB HIS A 52 10.023 1.006 3.290 1.00 1.00 C ATOM 746 CG HIS A 52 9.397 2.293 3.774 1.00 1.00 C ATOM 747 ND1 HIS A 52 9.359 2.634 5.066 1.00 1.00 N ATOM 748 CD2 HIS A 52 8.783 3.316 3.091 1.00 1.00 C ATOM 749 CE1 HIS A 52 8.745 3.822 5.183 1.00 1.00 C ATOM 750 NE2 HIS A 52 8.369 4.288 3.993 1.00 1.00 N ATOM 0 H HIS A 52 11.432 2.657 1.999 1.00 1.00 H new ATOM 0 HA HIS A 52 11.911 0.787 4.237 1.00 1.00 H new ATOM 0 HB2 HIS A 52 9.633 0.791 2.295 1.00 1.00 H new ATOM 0 HB3 HIS A 52 9.691 0.199 3.944 1.00 1.00 H new ATOM 0 HD1 HIS A 52 9.735 2.082 5.837 1.00 1.00 H new ATOM 0 HD2 HIS A 52 8.644 3.357 2.021 1.00 1.00 H new ATOM 0 HE1 HIS A 52 8.578 4.333 6.120 1.00 1.00 H new ATOM 758 N ASP A 53 13.390 -0.495 2.610 1.00 1.00 N ATOM 759 CA ASP A 53 14.049 -1.563 1.879 1.00 1.00 C ATOM 760 C ASP A 53 14.723 -2.514 2.870 1.00 1.00 C ATOM 761 O ASP A 53 15.911 -2.808 2.744 1.00 1.00 O ATOM 762 CB ASP A 53 15.128 -1.009 0.947 1.00 1.00 C ATOM 763 CG ASP A 53 15.462 -1.895 -0.255 1.00 1.00 C ATOM 764 OD1 ASP A 53 15.335 -3.127 -0.196 1.00 1.00 O ATOM 765 OD2 ASP A 53 15.873 -1.262 -1.302 1.00 1.00 O ATOM 0 H ASP A 53 13.977 -0.025 3.299 1.00 1.00 H new ATOM 0 HA ASP A 53 13.294 -2.082 1.288 1.00 1.00 H new ATOM 0 HB2 ASP A 53 14.806 -0.034 0.582 1.00 1.00 H new ATOM 0 HB3 ASP A 53 16.038 -0.848 1.525 1.00 1.00 H new ATOM 771 N ASP A 54 13.936 -2.967 3.835 1.00 1.00 N ATOM 772 CA ASP A 54 14.443 -3.878 4.847 1.00 1.00 C ATOM 773 C ASP A 54 13.292 -4.736 5.377 1.00 1.00 C ATOM 774 O ASP A 54 12.601 -4.343 6.315 1.00 1.00 O ATOM 775 CB ASP A 54 15.043 -3.111 6.028 1.00 1.00 C ATOM 776 CG ASP A 54 16.566 -3.187 6.141 1.00 1.00 C ATOM 777 OD1 ASP A 54 17.287 -2.289 5.682 1.00 1.00 O ATOM 778 OD2 ASP A 54 17.017 -4.238 6.738 1.00 1.00 O ATOM 0 H ASP A 54 12.952 -2.720 3.937 1.00 1.00 H new ATOM 0 HA ASP A 54 15.215 -4.496 4.388 1.00 1.00 H new ATOM 0 HB2 ASP A 54 14.751 -2.064 5.948 1.00 1.00 H new ATOM 0 HB3 ASP A 54 14.606 -3.494 6.950 1.00 1.00 H new ATOM 784 N LEU A 55 13.122 -5.892 4.752 1.00 1.00 N ATOM 785 CA LEU A 55 12.066 -6.808 5.148 1.00 1.00 C ATOM 786 C LEU A 55 12.625 -7.819 6.152 1.00 1.00 C ATOM 787 O LEU A 55 12.018 -8.861 6.392 1.00 1.00 O ATOM 788 CB LEU A 55 11.427 -7.454 3.918 1.00 1.00 C ATOM 789 CG LEU A 55 9.901 -7.377 3.836 1.00 1.00 C ATOM 790 CD1 LEU A 55 9.432 -7.312 2.382 1.00 1.00 C ATOM 791 CD2 LEU A 55 9.252 -8.535 4.597 1.00 1.00 C ATOM 0 H LEU A 55 13.698 -6.215 3.974 1.00 1.00 H new ATOM 0 HA LEU A 55 11.263 -6.269 5.650 1.00 1.00 H new ATOM 0 HB2 LEU A 55 11.843 -6.983 3.027 1.00 1.00 H new ATOM 0 HB3 LEU A 55 11.720 -8.504 3.890 1.00 1.00 H new ATOM 0 HG LEU A 55 9.579 -6.454 4.319 1.00 1.00 H new ATOM 0 HD11 LEU A 55 8.344 -7.258 2.353 1.00 1.00 H new ATOM 0 HD12 LEU A 55 9.852 -6.427 1.903 1.00 1.00 H new ATOM 0 HD13 LEU A 55 9.765 -8.204 1.852 1.00 1.00 H new ATOM 0 HD21 LEU A 55 8.167 -8.457 4.523 1.00 1.00 H new ATOM 0 HD22 LEU A 55 9.578 -9.482 4.166 1.00 1.00 H new ATOM 0 HD23 LEU A 55 9.548 -8.493 5.645 1.00 1.00 H new ATOM 803 N THR A 56 13.775 -7.475 6.712 1.00 1.00 N ATOM 804 CA THR A 56 14.422 -8.339 7.685 1.00 1.00 C ATOM 805 C THR A 56 13.808 -8.136 9.071 1.00 1.00 C ATOM 806 O THR A 56 14.005 -8.955 9.967 1.00 1.00 O ATOM 807 CB THR A 56 15.926 -8.058 7.640 1.00 1.00 C ATOM 808 OG1 THR A 56 16.403 -8.890 6.586 1.00 1.00 O ATOM 809 CG2 THR A 56 16.655 -8.575 8.882 1.00 1.00 C ATOM 0 H THR A 56 14.276 -6.610 6.511 1.00 1.00 H new ATOM 0 HA THR A 56 14.265 -9.391 7.446 1.00 1.00 H new ATOM 0 HB THR A 56 16.092 -6.985 7.542 1.00 1.00 H new ATOM 0 HG1 THR A 56 17.370 -8.769 6.486 1.00 1.00 H new ATOM 0 HG21 THR A 56 17.718 -8.350 8.800 1.00 1.00 H new ATOM 0 HG22 THR A 56 16.249 -8.090 9.770 1.00 1.00 H new ATOM 0 HG23 THR A 56 16.517 -9.653 8.962 1.00 1.00 H new ATOM 817 N ALA A 57 13.075 -7.040 9.204 1.00 1.00 N ATOM 818 CA ALA A 57 12.430 -6.719 10.465 1.00 1.00 C ATOM 819 C ALA A 57 10.934 -7.019 10.359 1.00 1.00 C ATOM 820 O ALA A 57 10.423 -7.267 9.268 1.00 1.00 O ATOM 821 CB ALA A 57 12.708 -5.258 10.824 1.00 1.00 C ATOM 0 H ALA A 57 12.914 -6.363 8.458 1.00 1.00 H new ATOM 0 HA ALA A 57 12.833 -7.334 11.269 1.00 1.00 H new ATOM 0 HB1 ALA A 57 12.224 -5.017 11.770 1.00 1.00 H new ATOM 0 HB2 ALA A 57 13.783 -5.104 10.917 1.00 1.00 H new ATOM 0 HB3 ALA A 57 12.315 -4.610 10.041 1.00 1.00 H new ATOM 827 N LYS A 58 10.273 -6.985 11.507 1.00 1.00 N ATOM 828 CA LYS A 58 8.845 -7.250 11.557 1.00 1.00 C ATOM 829 C LYS A 58 8.100 -5.949 11.862 1.00 1.00 C ATOM 830 O LYS A 58 6.881 -5.879 11.714 1.00 1.00 O ATOM 831 CB LYS A 58 8.543 -8.378 12.545 1.00 1.00 C ATOM 832 CG LYS A 58 8.592 -9.742 11.852 1.00 1.00 C ATOM 833 CD LYS A 58 7.391 -9.927 10.922 1.00 1.00 C ATOM 834 CE LYS A 58 7.812 -9.821 9.455 1.00 1.00 C ATOM 835 NZ LYS A 58 7.072 -8.732 8.781 1.00 1.00 N ATOM 0 H LYS A 58 10.700 -6.778 12.410 1.00 1.00 H new ATOM 0 HA LYS A 58 8.489 -7.603 10.589 1.00 1.00 H new ATOM 0 HB2 LYS A 58 9.265 -8.355 13.361 1.00 1.00 H new ATOM 0 HB3 LYS A 58 7.558 -8.226 12.987 1.00 1.00 H new ATOM 0 HG2 LYS A 58 9.516 -9.831 11.281 1.00 1.00 H new ATOM 0 HG3 LYS A 58 8.603 -10.534 12.601 1.00 1.00 H new ATOM 0 HD2 LYS A 58 6.933 -10.899 11.103 1.00 1.00 H new ATOM 0 HD3 LYS A 58 6.636 -9.173 11.143 1.00 1.00 H new ATOM 0 HE2 LYS A 58 8.884 -9.634 9.391 1.00 1.00 H new ATOM 0 HE3 LYS A 58 7.622 -10.766 8.947 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 6.689 -9.079 7.879 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 6.291 -8.415 9.390 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 7.715 -7.935 8.600 1.00 1.00 H new ATOM 848 N LYS A 59 8.863 -4.952 12.284 1.00 1.00 N ATOM 849 CA LYS A 59 8.290 -3.658 12.611 1.00 1.00 C ATOM 850 C LYS A 59 9.402 -2.608 12.649 1.00 1.00 C ATOM 851 O LYS A 59 10.471 -2.849 13.209 1.00 1.00 O ATOM 852 CB LYS A 59 7.481 -3.743 13.907 1.00 1.00 C ATOM 853 CG LYS A 59 6.094 -4.335 13.649 1.00 1.00 C ATOM 854 CD LYS A 59 5.049 -3.710 14.576 1.00 1.00 C ATOM 855 CE LYS A 59 3.701 -4.422 14.442 1.00 1.00 C ATOM 856 NZ LYS A 59 3.330 -5.074 15.717 1.00 1.00 N ATOM 0 H LYS A 59 9.874 -5.014 12.407 1.00 1.00 H new ATOM 0 HA LYS A 59 7.584 -3.348 11.841 1.00 1.00 H new ATOM 0 HB2 LYS A 59 8.014 -4.358 14.633 1.00 1.00 H new ATOM 0 HB3 LYS A 59 7.381 -2.749 14.343 1.00 1.00 H new ATOM 0 HG2 LYS A 59 5.811 -4.167 12.610 1.00 1.00 H new ATOM 0 HG3 LYS A 59 6.121 -5.414 13.801 1.00 1.00 H new ATOM 0 HD2 LYS A 59 5.393 -3.767 15.609 1.00 1.00 H new ATOM 0 HD3 LYS A 59 4.931 -2.653 14.337 1.00 1.00 H new ATOM 0 HE2 LYS A 59 2.931 -3.705 14.156 1.00 1.00 H new ATOM 0 HE3 LYS A 59 3.754 -5.167 13.648 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 2.413 -5.552 15.608 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 4.056 -5.772 15.974 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 3.259 -4.356 16.466 1.00 1.00 H new ATOM 869 N GLY A 60 9.113 -1.464 12.046 1.00 1.00 N ATOM 870 CA GLY A 60 10.075 -0.376 12.004 1.00 1.00 C ATOM 871 C GLY A 60 9.965 0.403 10.692 1.00 1.00 C ATOM 872 O GLY A 60 9.469 -0.120 9.695 1.00 1.00 O ATOM 0 H GLY A 60 8.226 -1.267 11.582 1.00 1.00 H new ATOM 0 HA2 GLY A 60 9.906 0.296 12.845 1.00 1.00 H new ATOM 0 HA3 GLY A 60 11.084 -0.774 12.111 1.00 1.00 H new ATOM 876 N GLU A 61 10.436 1.641 10.734 1.00 1.00 N ATOM 877 CA GLU A 61 10.396 2.497 9.560 1.00 1.00 C ATOM 878 C GLU A 61 11.161 1.848 8.404 1.00 1.00 C ATOM 879 O GLU A 61 10.975 2.220 7.247 1.00 1.00 O ATOM 880 CB GLU A 61 10.955 3.886 9.876 1.00 1.00 C ATOM 881 CG GLU A 61 12.257 3.785 10.673 1.00 1.00 C ATOM 882 CD GLU A 61 13.071 5.076 10.559 1.00 1.00 C ATOM 883 OE1 GLU A 61 13.704 5.320 9.521 1.00 1.00 O ATOM 884 OE2 GLU A 61 13.029 5.840 11.597 1.00 1.00 O ATOM 0 H GLU A 61 10.847 2.072 11.562 1.00 1.00 H new ATOM 0 HA GLU A 61 9.356 2.620 9.258 1.00 1.00 H new ATOM 0 HB2 GLU A 61 11.134 4.430 8.948 1.00 1.00 H new ATOM 0 HB3 GLU A 61 10.220 4.457 10.444 1.00 1.00 H new ATOM 0 HG2 GLU A 61 12.032 3.584 11.720 1.00 1.00 H new ATOM 0 HG3 GLU A 61 12.847 2.945 10.307 1.00 1.00 H new ATOM 892 N LYS A 62 12.004 0.889 8.758 1.00 1.00 N ATOM 893 CA LYS A 62 12.797 0.185 7.765 1.00 1.00 C ATOM 894 C LYS A 62 12.162 -1.178 7.484 1.00 1.00 C ATOM 895 O LYS A 62 12.867 -2.164 7.278 1.00 1.00 O ATOM 896 CB LYS A 62 14.259 0.104 8.206 1.00 1.00 C ATOM 897 CG LYS A 62 14.717 1.422 8.833 1.00 1.00 C ATOM 898 CD LYS A 62 16.076 1.852 8.277 1.00 1.00 C ATOM 899 CE LYS A 62 15.922 2.520 6.909 1.00 1.00 C ATOM 900 NZ LYS A 62 17.173 3.211 6.526 1.00 1.00 N ATOM 0 H LYS A 62 12.155 0.583 9.719 1.00 1.00 H new ATOM 0 HA LYS A 62 12.803 0.734 6.823 1.00 1.00 H new ATOM 0 HB2 LYS A 62 14.381 -0.706 8.925 1.00 1.00 H new ATOM 0 HB3 LYS A 62 14.889 -0.133 7.348 1.00 1.00 H new ATOM 0 HG2 LYS A 62 13.978 2.198 8.636 1.00 1.00 H new ATOM 0 HG3 LYS A 62 14.782 1.311 9.915 1.00 1.00 H new ATOM 0 HD2 LYS A 62 16.555 2.543 8.971 1.00 1.00 H new ATOM 0 HD3 LYS A 62 16.729 0.983 8.190 1.00 1.00 H new ATOM 0 HE2 LYS A 62 15.669 1.771 6.159 1.00 1.00 H new ATOM 0 HE3 LYS A 62 15.099 3.234 6.937 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 17.051 3.659 5.595 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 17.398 3.939 7.234 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 17.950 2.521 6.479 1.00 1.00 H new ATOM 913 N SER A 63 10.837 -1.190 7.486 1.00 1.00 N ATOM 914 CA SER A 63 10.099 -2.416 7.235 1.00 1.00 C ATOM 915 C SER A 63 8.930 -2.139 6.288 1.00 1.00 C ATOM 916 O SER A 63 8.204 -1.161 6.462 1.00 1.00 O ATOM 917 CB SER A 63 9.590 -3.030 8.541 1.00 1.00 C ATOM 918 OG SER A 63 9.417 -4.441 8.435 1.00 1.00 O ATOM 0 H SER A 63 10.255 -0.370 7.658 1.00 1.00 H new ATOM 0 HA SER A 63 10.775 -3.132 6.768 1.00 1.00 H new ATOM 0 HB2 SER A 63 10.294 -2.810 9.344 1.00 1.00 H new ATOM 0 HB3 SER A 63 8.641 -2.568 8.814 1.00 1.00 H new ATOM 0 HG SER A 63 9.093 -4.796 9.289 1.00 1.00 H new ATOM 924 N LEU A 64 8.785 -3.017 5.306 1.00 1.00 N ATOM 925 CA LEU A 64 7.716 -2.878 4.331 1.00 1.00 C ATOM 926 C LEU A 64 6.533 -3.753 4.750 1.00 1.00 C ATOM 927 O LEU A 64 5.830 -4.338 3.929 1.00 1.00 O ATOM 928 CB LEU A 64 8.234 -3.178 2.923 1.00 1.00 C ATOM 929 CG LEU A 64 7.244 -2.942 1.780 1.00 1.00 C ATOM 930 CD1 LEU A 64 6.838 -1.469 1.702 1.00 1.00 C ATOM 931 CD2 LEU A 64 7.808 -3.452 0.452 1.00 1.00 C ATOM 0 H LEU A 64 9.389 -3.826 5.165 1.00 1.00 H new ATOM 0 HA LEU A 64 7.358 -1.849 4.302 1.00 1.00 H new ATOM 0 HB2 LEU A 64 9.118 -2.565 2.744 1.00 1.00 H new ATOM 0 HB3 LEU A 64 8.556 -4.219 2.890 1.00 1.00 H new ATOM 0 HG LEU A 64 6.340 -3.515 1.987 1.00 1.00 H new ATOM 0 HD11 LEU A 64 6.134 -1.329 0.882 1.00 1.00 H new ATOM 0 HD12 LEU A 64 6.367 -1.171 2.639 1.00 1.00 H new ATOM 0 HD13 LEU A 64 7.723 -0.856 1.530 1.00 1.00 H new ATOM 0 HD21 LEU A 64 7.085 -3.272 -0.343 1.00 1.00 H new ATOM 0 HD22 LEU A 64 8.736 -2.926 0.225 1.00 1.00 H new ATOM 0 HD23 LEU A 64 8.006 -4.521 0.527 1.00 1.00 H new ATOM 943 N TYR A 65 6.326 -3.830 6.067 1.00 1.00 N ATOM 944 CA TYR A 65 5.247 -4.619 6.625 1.00 1.00 C ATOM 945 C TYR A 65 4.429 -3.769 7.586 1.00 1.00 C ATOM 946 O TYR A 65 3.219 -3.948 7.703 1.00 1.00 O ATOM 947 CB TYR A 65 5.826 -5.837 7.339 1.00 1.00 C ATOM 948 CG TYR A 65 4.907 -6.415 8.388 1.00 1.00 C ATOM 949 CD1 TYR A 65 3.971 -7.396 8.036 1.00 1.00 C ATOM 950 CD2 TYR A 65 4.989 -5.970 9.712 1.00 1.00 C ATOM 951 CE1 TYR A 65 3.118 -7.931 9.009 1.00 1.00 C ATOM 952 CE2 TYR A 65 4.136 -6.504 10.685 1.00 1.00 C ATOM 953 CZ TYR A 65 3.201 -7.485 10.333 1.00 1.00 C ATOM 954 OH TYR A 65 2.370 -8.006 11.281 1.00 1.00 O ATOM 0 H TYR A 65 6.899 -3.350 6.761 1.00 1.00 H new ATOM 0 HA TYR A 65 4.590 -4.961 5.825 1.00 1.00 H new ATOM 0 HB2 TYR A 65 6.052 -6.607 6.601 1.00 1.00 H new ATOM 0 HB3 TYR A 65 6.770 -5.558 7.808 1.00 1.00 H new ATOM 0 HD1 TYR A 65 3.907 -7.740 7.014 1.00 1.00 H new ATOM 0 HD2 TYR A 65 5.711 -5.214 9.983 1.00 1.00 H new ATOM 0 HE1 TYR A 65 2.396 -8.687 8.738 1.00 1.00 H new ATOM 0 HE2 TYR A 65 4.199 -6.160 11.707 1.00 1.00 H new ATOM 0 HH TYR A 65 2.559 -7.588 12.147 1.00 1.00 H new ATOM 964 N TYR A 66 5.095 -2.840 8.276 1.00 1.00 N ATOM 965 CA TYR A 66 4.427 -1.969 9.224 1.00 1.00 C ATOM 966 C TYR A 66 3.905 -0.732 8.508 1.00 1.00 C ATOM 967 O TYR A 66 3.282 0.110 9.154 1.00 1.00 O ATOM 968 CB TYR A 66 5.404 -1.582 10.331 1.00 1.00 C ATOM 969 CG TYR A 66 4.794 -0.690 11.386 1.00 1.00 C ATOM 970 CD1 TYR A 66 3.980 -1.241 12.383 1.00 1.00 C ATOM 971 CD2 TYR A 66 5.045 0.687 11.369 1.00 1.00 C ATOM 972 CE1 TYR A 66 3.415 -0.414 13.362 1.00 1.00 C ATOM 973 CE2 TYR A 66 4.481 1.514 12.348 1.00 1.00 C ATOM 974 CZ TYR A 66 3.666 0.963 13.344 1.00 1.00 C ATOM 975 OH TYR A 66 3.116 1.768 14.298 1.00 1.00 O ATOM 0 H TYR A 66 6.098 -2.678 8.190 1.00 1.00 H new ATOM 0 HA TYR A 66 3.580 -2.490 9.670 1.00 1.00 H new ATOM 0 HB2 TYR A 66 5.781 -2.488 10.806 1.00 1.00 H new ATOM 0 HB3 TYR A 66 6.261 -1.074 9.888 1.00 1.00 H new ATOM 0 HD1 TYR A 66 3.788 -2.304 12.397 1.00 1.00 H new ATOM 0 HD2 TYR A 66 5.674 1.112 10.601 1.00 1.00 H new ATOM 0 HE1 TYR A 66 2.786 -0.838 14.130 1.00 1.00 H new ATOM 0 HE2 TYR A 66 4.675 2.576 12.335 1.00 1.00 H new ATOM 0 HH TYR A 66 3.391 2.696 14.141 1.00 1.00 H new ATOM 985 N VAL A 67 4.161 -0.644 7.211 1.00 1.00 N ATOM 986 CA VAL A 67 3.706 0.497 6.434 1.00 1.00 C ATOM 987 C VAL A 67 2.790 0.010 5.310 1.00 1.00 C ATOM 988 O VAL A 67 2.360 0.798 4.469 1.00 1.00 O ATOM 989 CB VAL A 67 4.908 1.294 5.923 1.00 1.00 C ATOM 990 CG1 VAL A 67 5.864 1.640 7.067 1.00 1.00 C ATOM 991 CG2 VAL A 67 5.636 0.536 4.811 1.00 1.00 C ATOM 0 H VAL A 67 4.678 -1.344 6.679 1.00 1.00 H new ATOM 0 HA VAL A 67 3.123 1.176 7.057 1.00 1.00 H new ATOM 0 HB VAL A 67 4.536 2.229 5.504 1.00 1.00 H new ATOM 0 HG11 VAL A 67 6.709 2.206 6.676 1.00 1.00 H new ATOM 0 HG12 VAL A 67 5.339 2.239 7.811 1.00 1.00 H new ATOM 0 HG13 VAL A 67 6.225 0.722 7.530 1.00 1.00 H new ATOM 0 HG21 VAL A 67 6.486 1.125 4.466 1.00 1.00 H new ATOM 0 HG22 VAL A 67 5.989 -0.421 5.194 1.00 1.00 H new ATOM 0 HG23 VAL A 67 4.952 0.364 3.980 1.00 1.00 H new ATOM 1001 N VAL A 68 2.518 -1.287 5.331 1.00 1.00 N ATOM 1002 CA VAL A 68 1.660 -1.888 4.324 1.00 1.00 C ATOM 1003 C VAL A 68 0.283 -2.162 4.931 1.00 1.00 C ATOM 1004 O VAL A 68 -0.743 -1.821 4.346 1.00 1.00 O ATOM 1005 CB VAL A 68 2.323 -3.144 3.754 1.00 1.00 C ATOM 1006 CG1 VAL A 68 1.274 -4.155 3.289 1.00 1.00 C ATOM 1007 CG2 VAL A 68 3.285 -2.789 2.618 1.00 1.00 C ATOM 0 H VAL A 68 2.877 -1.938 6.029 1.00 1.00 H new ATOM 0 HA VAL A 68 1.516 -1.204 3.487 1.00 1.00 H new ATOM 0 HB VAL A 68 2.904 -3.607 4.552 1.00 1.00 H new ATOM 0 HG11 VAL A 68 1.772 -5.038 2.888 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.647 -4.443 4.133 1.00 1.00 H new ATOM 0 HG13 VAL A 68 0.654 -3.705 2.514 1.00 1.00 H new ATOM 0 HG21 VAL A 68 3.743 -3.699 2.231 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.736 -2.291 1.819 1.00 1.00 H new ATOM 0 HG23 VAL A 68 4.062 -2.124 2.994 1.00 1.00 H new ATOM 1017 N HIS A 69 0.301 -2.783 6.111 1.00 1.00 N ATOM 1018 CA HIS A 69 -0.913 -3.128 6.842 1.00 1.00 C ATOM 1019 C HIS A 69 -1.225 -2.034 7.879 1.00 1.00 C ATOM 1020 O HIS A 69 -2.091 -1.191 7.648 1.00 1.00 O ATOM 1021 CB HIS A 69 -0.753 -4.535 7.437 1.00 1.00 C ATOM 1022 CG HIS A 69 -0.252 -5.614 6.504 1.00 1.00 C ATOM 1023 ND1 HIS A 69 1.049 -5.871 6.334 1.00 1.00 N ATOM 1024 CD2 HIS A 69 -0.925 -6.497 5.694 1.00 1.00 C ATOM 1025 CE1 HIS A 69 1.180 -6.874 5.452 1.00 1.00 C ATOM 1026 NE2 HIS A 69 -0.008 -7.298 5.026 1.00 1.00 N ATOM 0 H HIS A 69 1.160 -3.060 6.585 1.00 1.00 H new ATOM 0 HA HIS A 69 -1.779 -3.165 6.181 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -0.068 -4.471 8.282 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -1.719 -4.849 7.833 1.00 1.00 H new ATOM 0 HD1 HIS A 69 1.816 -5.385 6.798 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -1.998 -6.558 5.593 1.00 1.00 H new ATOM 0 HE1 HIS A 69 2.126 -7.284 5.130 1.00 1.00 H new ATOM 1034 N ALA A 70 -0.505 -2.084 8.990 1.00 1.00 N ATOM 1035 CA ALA A 70 -0.697 -1.110 10.051 1.00 1.00 C ATOM 1036 C ALA A 70 -2.012 -0.363 9.820 1.00 1.00 C ATOM 1037 O ALA A 70 -2.034 0.668 9.149 1.00 1.00 O ATOM 1038 CB ALA A 70 0.508 -0.169 10.104 1.00 1.00 C ATOM 0 H ALA A 70 0.213 -2.784 9.179 1.00 1.00 H new ATOM 0 HA ALA A 70 -0.766 -1.605 11.019 1.00 1.00 H new ATOM 0 HB1 ALA A 70 0.364 0.562 10.900 1.00 1.00 H new ATOM 0 HB2 ALA A 70 1.412 -0.746 10.300 1.00 1.00 H new ATOM 0 HB3 ALA A 70 0.608 0.349 9.150 1.00 1.00 H new ATOM 1044 N ARG A 71 -3.076 -0.911 10.388 1.00 1.00 N ATOM 1045 CA ARG A 71 -4.391 -0.309 10.252 1.00 1.00 C ATOM 1046 C ARG A 71 -4.704 0.562 11.470 1.00 1.00 C ATOM 1047 O ARG A 71 -5.869 0.763 11.811 1.00 1.00 O ATOM 1048 CB ARG A 71 -5.474 -1.380 10.107 1.00 1.00 C ATOM 1049 CG ARG A 71 -6.852 -0.743 9.918 1.00 1.00 C ATOM 1050 CD ARG A 71 -7.784 -1.097 11.079 1.00 1.00 C ATOM 1051 NE ARG A 71 -9.156 -1.329 10.574 1.00 1.00 N ATOM 1052 CZ ARG A 71 -10.123 -1.960 11.273 1.00 1.00 C ATOM 1053 NH1 ARG A 71 -9.877 -2.428 12.515 1.00 1.00 N ATOM 1054 NH2 ARG A 71 -11.314 -2.112 10.724 1.00 1.00 N ATOM 0 H ARG A 71 -3.054 -1.766 10.944 1.00 1.00 H new ATOM 0 HA ARG A 71 -4.383 0.307 9.353 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -5.245 -2.021 9.255 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -5.482 -2.017 10.992 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -6.749 0.340 9.847 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -7.289 -1.084 8.979 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -7.420 -1.989 11.590 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -7.789 -0.290 11.811 1.00 1.00 H new ATOM 0 HE ARG A 71 -9.385 -0.991 9.639 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -8.954 -2.306 12.933 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -10.614 -2.904 13.036 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -11.492 -1.755 9.785 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -12.056 -2.587 11.239 1.00 1.00 H new ATOM 1064 N GLY A 72 -3.644 1.056 12.093 1.00 1.00 N ATOM 1065 CA GLY A 72 -3.792 1.901 13.266 1.00 1.00 C ATOM 1066 C GLY A 72 -3.452 3.357 12.939 1.00 1.00 C ATOM 1067 O GLY A 72 -3.602 3.792 11.798 1.00 1.00 O ATOM 0 H GLY A 72 -2.679 0.887 11.808 1.00 1.00 H new ATOM 0 HA2 GLY A 72 -4.815 1.837 13.638 1.00 1.00 H new ATOM 0 HA3 GLY A 72 -3.140 1.542 14.062 1.00 1.00 H new ATOM 1071 N GLU A 73 -3.001 4.070 13.960 1.00 1.00 N ATOM 1072 CA GLU A 73 -2.639 5.467 13.796 1.00 1.00 C ATOM 1073 C GLU A 73 -1.170 5.591 13.388 1.00 1.00 C ATOM 1074 O GLU A 73 -0.276 5.414 14.214 1.00 1.00 O ATOM 1075 CB GLU A 73 -2.922 6.261 15.073 1.00 1.00 C ATOM 1076 CG GLU A 73 -2.978 7.762 14.785 1.00 1.00 C ATOM 1077 CD GLU A 73 -2.707 8.575 16.053 1.00 1.00 C ATOM 1078 OE1 GLU A 73 -3.654 8.979 16.744 1.00 1.00 O ATOM 1079 OE2 GLU A 73 -1.461 8.782 16.311 1.00 1.00 O ATOM 0 H GLU A 73 -2.878 3.706 14.905 1.00 1.00 H new ATOM 0 HA GLU A 73 -3.253 5.890 13.001 1.00 1.00 H new ATOM 0 HB2 GLU A 73 -3.868 5.935 15.506 1.00 1.00 H new ATOM 0 HB3 GLU A 73 -2.146 6.058 15.811 1.00 1.00 H new ATOM 0 HG2 GLU A 73 -2.243 8.017 14.021 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -3.958 8.023 14.384 1.00 1.00 H new ATOM 1087 N LEU A 74 -0.966 5.893 12.114 1.00 1.00 N ATOM 1088 CA LEU A 74 0.379 6.043 11.587 1.00 1.00 C ATOM 1089 C LEU A 74 0.595 7.494 11.154 1.00 1.00 C ATOM 1090 O LEU A 74 -0.324 8.309 11.221 1.00 1.00 O ATOM 1091 CB LEU A 74 0.634 5.025 10.473 1.00 1.00 C ATOM 1092 CG LEU A 74 0.452 3.554 10.853 1.00 1.00 C ATOM 1093 CD1 LEU A 74 0.579 2.651 9.625 1.00 1.00 C ATOM 1094 CD2 LEU A 74 1.423 3.151 11.965 1.00 1.00 C ATOM 0 H LEU A 74 -1.710 6.038 11.432 1.00 1.00 H new ATOM 0 HA LEU A 74 1.117 5.828 12.360 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -0.035 5.250 9.642 1.00 1.00 H new ATOM 0 HB3 LEU A 74 1.652 5.162 10.109 1.00 1.00 H new ATOM 0 HG LEU A 74 -0.557 3.424 11.244 1.00 1.00 H new ATOM 0 HD11 LEU A 74 0.446 1.611 9.923 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -0.184 2.920 8.895 1.00 1.00 H new ATOM 0 HD13 LEU A 74 1.566 2.777 9.181 1.00 1.00 H new ATOM 0 HD21 LEU A 74 1.273 2.101 12.216 1.00 1.00 H new ATOM 0 HD22 LEU A 74 2.448 3.300 11.625 1.00 1.00 H new ATOM 0 HD23 LEU A 74 1.241 3.765 12.847 1.00 1.00 H new ATOM 1106 N LYS A 75 1.815 7.774 10.720 1.00 1.00 N ATOM 1107 CA LYS A 75 2.164 9.113 10.277 1.00 1.00 C ATOM 1108 C LYS A 75 1.264 9.508 9.105 1.00 1.00 C ATOM 1109 O LYS A 75 0.663 10.581 9.112 1.00 1.00 O ATOM 1110 CB LYS A 75 3.658 9.202 9.963 1.00 1.00 C ATOM 1111 CG LYS A 75 4.114 10.660 9.874 1.00 1.00 C ATOM 1112 CD LYS A 75 4.835 11.088 11.153 1.00 1.00 C ATOM 1113 CE LYS A 75 3.978 12.061 11.966 1.00 1.00 C ATOM 1114 NZ LYS A 75 4.812 13.155 12.511 1.00 1.00 N ATOM 0 H LYS A 75 2.575 7.096 10.666 1.00 1.00 H new ATOM 0 HA LYS A 75 1.987 9.836 11.073 1.00 1.00 H new ATOM 0 HB2 LYS A 75 4.227 8.686 10.736 1.00 1.00 H new ATOM 0 HB3 LYS A 75 3.866 8.694 9.021 1.00 1.00 H new ATOM 0 HG2 LYS A 75 4.778 10.785 9.019 1.00 1.00 H new ATOM 0 HG3 LYS A 75 3.252 11.305 9.705 1.00 1.00 H new ATOM 0 HD2 LYS A 75 5.066 10.210 11.756 1.00 1.00 H new ATOM 0 HD3 LYS A 75 5.785 11.559 10.899 1.00 1.00 H new ATOM 0 HE2 LYS A 75 3.191 12.475 11.336 1.00 1.00 H new ATOM 0 HE3 LYS A 75 3.487 11.529 12.781 1.00 1.00 H new ATOM 0 HZ1 LYS A 75 4.215 13.806 13.060 1.00 1.00 H new ATOM 0 HZ2 LYS A 75 5.548 12.756 13.128 1.00 1.00 H new ATOM 0 HZ3 LYS A 75 5.260 13.673 11.728 1.00 1.00 H new ATOM 1127 N HIS A 76 1.198 8.618 8.125 1.00 1.00 N ATOM 1128 CA HIS A 76 0.382 8.860 6.948 1.00 1.00 C ATOM 1129 C HIS A 76 -0.862 7.970 6.994 1.00 1.00 C ATOM 1130 O HIS A 76 -1.452 7.778 8.056 1.00 1.00 O ATOM 1131 CB HIS A 76 1.201 8.667 5.670 1.00 1.00 C ATOM 1132 CG HIS A 76 2.627 9.151 5.776 1.00 1.00 C ATOM 1133 ND1 HIS A 76 3.806 8.505 5.543 1.00 1.00 N flip ATOM 1134 CD2 HIS A 76 2.956 10.438 6.163 1.00 1.00 C flip ATOM 1135 CE1 HIS A 76 4.801 9.353 5.774 1.00 1.00 C flip ATOM 1136 NE2 HIS A 76 4.276 10.552 6.158 1.00 1.00 N flip ATOM 0 H HIS A 76 1.697 7.728 8.123 1.00 1.00 H new ATOM 0 HA HIS A 76 0.045 9.897 6.942 1.00 1.00 H new ATOM 0 HB2 HIS A 76 1.206 7.608 5.410 1.00 1.00 H new ATOM 0 HB3 HIS A 76 0.709 9.194 4.852 1.00 1.00 H new ATOM 0 HD2 HIS A 76 2.256 11.217 6.425 1.00 1.00 H new ATOM 0 HE1 HIS A 76 5.853 9.130 5.674 1.00 1.00 H new ATOM 0 HE2 HIS A 76 4.806 11.389 6.399 1.00 1.00 H new ATOM 1144 N THR A 77 -1.224 7.452 5.830 1.00 1.00 N ATOM 1145 CA THR A 77 -2.387 6.588 5.724 1.00 1.00 C ATOM 1146 C THR A 77 -2.008 5.263 5.060 1.00 1.00 C ATOM 1147 O THR A 77 -1.814 5.206 3.846 1.00 1.00 O ATOM 1148 CB THR A 77 -3.478 7.353 4.974 1.00 1.00 C ATOM 1149 OG1 THR A 77 -3.449 8.655 5.552 1.00 1.00 O ATOM 1150 CG2 THR A 77 -4.882 6.835 5.294 1.00 1.00 C ATOM 0 H THR A 77 -0.732 7.614 4.951 1.00 1.00 H new ATOM 0 HA THR A 77 -2.774 6.323 6.708 1.00 1.00 H new ATOM 0 HB THR A 77 -3.300 7.280 3.901 1.00 1.00 H new ATOM 0 HG1 THR A 77 -4.126 9.219 5.122 1.00 1.00 H new ATOM 0 HG21 THR A 77 -5.619 7.412 4.736 1.00 1.00 H new ATOM 0 HG22 THR A 77 -4.955 5.784 5.013 1.00 1.00 H new ATOM 0 HG23 THR A 77 -5.073 6.939 6.362 1.00 1.00 H new ATOM 1158 N SER A 78 -1.913 4.230 5.884 1.00 1.00 N ATOM 1159 CA SER A 78 -1.561 2.909 5.391 1.00 1.00 C ATOM 1160 C SER A 78 -2.670 2.376 4.482 1.00 1.00 C ATOM 1161 O SER A 78 -3.769 2.929 4.448 1.00 1.00 O ATOM 1162 CB SER A 78 -1.312 1.938 6.548 1.00 1.00 C ATOM 1163 OG SER A 78 -1.489 2.562 7.816 1.00 1.00 O ATOM 0 H SER A 78 -2.074 4.281 6.890 1.00 1.00 H new ATOM 0 HA SER A 78 -0.638 2.994 4.817 1.00 1.00 H new ATOM 0 HB2 SER A 78 -1.992 1.091 6.463 1.00 1.00 H new ATOM 0 HB3 SER A 78 -0.299 1.542 6.477 1.00 1.00 H new ATOM 0 HG SER A 78 -1.993 1.964 8.407 1.00 1.00 H new ATOM 1169 N CYS A 79 -2.344 1.310 3.767 1.00 1.00 N ATOM 1170 CA CYS A 79 -3.299 0.697 2.859 1.00 1.00 C ATOM 1171 C CYS A 79 -4.497 0.212 3.678 1.00 1.00 C ATOM 1172 O CYS A 79 -5.601 0.739 3.542 1.00 1.00 O ATOM 1173 CB CYS A 79 -2.664 -0.436 2.051 1.00 1.00 C ATOM 1174 SG CYS A 79 -1.031 -0.041 1.327 1.00 1.00 S ATOM 0 H CYS A 79 -1.432 0.855 3.798 1.00 1.00 H new ATOM 0 HA CYS A 79 -3.634 1.433 2.128 1.00 1.00 H new ATOM 0 HB2 CYS A 79 -2.558 -1.308 2.696 1.00 1.00 H new ATOM 0 HB3 CYS A 79 -3.344 -0.715 1.247 1.00 1.00 H new ATOM 1179 N LEU A 80 -4.240 -0.786 4.510 1.00 1.00 N ATOM 1180 CA LEU A 80 -5.283 -1.347 5.351 1.00 1.00 C ATOM 1181 C LEU A 80 -6.034 -0.213 6.051 1.00 1.00 C ATOM 1182 O LEU A 80 -7.176 -0.387 6.472 1.00 1.00 O ATOM 1183 CB LEU A 80 -4.697 -2.383 6.313 1.00 1.00 C ATOM 1184 CG LEU A 80 -4.807 -3.844 5.873 1.00 1.00 C ATOM 1185 CD1 LEU A 80 -6.188 -4.413 6.202 1.00 1.00 C ATOM 1186 CD2 LEU A 80 -4.462 -3.999 4.391 1.00 1.00 C ATOM 0 H LEU A 80 -3.324 -1.221 4.620 1.00 1.00 H new ATOM 0 HA LEU A 80 -6.012 -1.885 4.745 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -3.644 -2.150 6.469 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -5.194 -2.276 7.277 1.00 1.00 H new ATOM 0 HG LEU A 80 -4.076 -4.425 6.436 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -6.240 -5.453 5.879 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.357 -4.358 7.277 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -6.953 -3.834 5.685 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -4.548 -5.047 4.105 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -5.150 -3.402 3.793 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -3.441 -3.658 4.218 1.00 1.00 H new ATOM 1198 N ALA A 81 -5.360 0.924 6.155 1.00 1.00 N ATOM 1199 CA ALA A 81 -5.949 2.086 6.797 1.00 1.00 C ATOM 1200 C ALA A 81 -7.140 2.573 5.968 1.00 1.00 C ATOM 1201 O ALA A 81 -8.290 2.412 6.372 1.00 1.00 O ATOM 1202 CB ALA A 81 -4.881 3.168 6.974 1.00 1.00 C ATOM 0 H ALA A 81 -4.412 1.064 5.805 1.00 1.00 H new ATOM 0 HA ALA A 81 -6.321 1.829 7.789 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -5.323 4.040 7.456 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -4.072 2.782 7.594 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -4.487 3.453 5.999 1.00 1.00 H new ATOM 1208 N CYS A 82 -6.822 3.160 4.823 1.00 1.00 N ATOM 1209 CA CYS A 82 -7.851 3.671 3.933 1.00 1.00 C ATOM 1210 C CYS A 82 -8.920 2.591 3.764 1.00 1.00 C ATOM 1211 O CYS A 82 -10.095 2.816 4.048 1.00 1.00 O ATOM 1212 CB CYS A 82 -7.268 4.113 2.589 1.00 1.00 C ATOM 1213 SG CYS A 82 -8.604 4.724 1.498 1.00 1.00 S ATOM 0 H CYS A 82 -5.867 3.293 4.491 1.00 1.00 H new ATOM 0 HA CYS A 82 -8.303 4.562 4.369 1.00 1.00 H new ATOM 0 HB2 CYS A 82 -6.527 4.897 2.745 1.00 1.00 H new ATOM 0 HB3 CYS A 82 -6.753 3.278 2.114 1.00 1.00 H new ATOM 1218 N HIS A 83 -8.474 1.424 3.297 1.00 1.00 N ATOM 1219 CA HIS A 83 -9.345 0.276 3.070 1.00 1.00 C ATOM 1220 C HIS A 83 -10.329 0.130 4.245 1.00 1.00 C ATOM 1221 O HIS A 83 -11.488 -0.229 4.040 1.00 1.00 O ATOM 1222 CB HIS A 83 -8.476 -0.964 2.815 1.00 1.00 C ATOM 1223 CG HIS A 83 -7.918 -1.127 1.419 1.00 1.00 C ATOM 1224 ND1 HIS A 83 -7.601 -2.320 0.906 1.00 1.00 N ATOM 1225 CD2 HIS A 83 -7.631 -0.203 0.444 1.00 1.00 C ATOM 1226 CE1 HIS A 83 -7.134 -2.145 -0.340 1.00 1.00 C ATOM 1227 NE2 HIS A 83 -7.131 -0.857 -0.676 1.00 1.00 N ATOM 0 H HIS A 83 -7.496 1.251 3.066 1.00 1.00 H new ATOM 0 HA HIS A 83 -9.963 0.412 2.182 1.00 1.00 H new ATOM 0 HB2 HIS A 83 -7.641 -0.944 3.515 1.00 1.00 H new ATOM 0 HB3 HIS A 83 -9.068 -1.849 3.050 1.00 1.00 H new ATOM 0 HD1 HIS A 83 -7.698 -3.216 1.383 1.00 1.00 H new ATOM 0 HD2 HIS A 83 -7.772 0.864 0.534 1.00 1.00 H new ATOM 0 HE1 HIS A 83 -6.804 -2.945 -0.986 1.00 1.00 H new ATOM 1235 N SER A 84 -9.832 0.414 5.440 1.00 1.00 N ATOM 1236 CA SER A 84 -10.653 0.317 6.635 1.00 1.00 C ATOM 1237 C SER A 84 -11.791 1.338 6.571 1.00 1.00 C ATOM 1238 O SER A 84 -12.945 1.003 6.836 1.00 1.00 O ATOM 1239 CB SER A 84 -9.816 0.534 7.897 1.00 1.00 C ATOM 1240 OG SER A 84 -10.513 0.135 9.074 1.00 1.00 O ATOM 0 H SER A 84 -8.871 0.711 5.606 1.00 1.00 H new ATOM 0 HA SER A 84 -11.075 -0.687 6.680 1.00 1.00 H new ATOM 0 HB2 SER A 84 -8.887 -0.030 7.817 1.00 1.00 H new ATOM 0 HB3 SER A 84 -9.544 1.587 7.976 1.00 1.00 H new ATOM 0 HG SER A 84 -10.337 0.778 9.792 1.00 1.00 H new ATOM 1246 N LYS A 85 -11.427 2.562 6.218 1.00 1.00 N ATOM 1247 CA LYS A 85 -12.403 3.633 6.116 1.00 1.00 C ATOM 1248 C LYS A 85 -13.369 3.330 4.969 1.00 1.00 C ATOM 1249 O LYS A 85 -14.576 3.529 5.101 1.00 1.00 O ATOM 1250 CB LYS A 85 -11.701 4.987 5.988 1.00 1.00 C ATOM 1251 CG LYS A 85 -10.851 5.283 7.225 1.00 1.00 C ATOM 1252 CD LYS A 85 -11.531 6.319 8.123 1.00 1.00 C ATOM 1253 CE LYS A 85 -10.501 7.256 8.755 1.00 1.00 C ATOM 1254 NZ LYS A 85 -11.075 8.609 8.937 1.00 1.00 N ATOM 0 H LYS A 85 -10.469 2.836 5.999 1.00 1.00 H new ATOM 0 HA LYS A 85 -12.999 3.693 7.027 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -11.070 4.991 5.099 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -12.443 5.774 5.855 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -10.686 4.363 7.786 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -9.871 5.650 6.918 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -12.245 6.899 7.539 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -12.096 5.812 8.906 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -10.181 6.858 9.718 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -9.615 7.312 8.122 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -10.363 9.233 9.367 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -11.359 8.993 8.013 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -11.907 8.552 9.559 1.00 1.00 H new ATOM 1267 N VAL A 86 -12.802 2.853 3.871 1.00 1.00 N ATOM 1268 CA VAL A 86 -13.598 2.520 2.702 1.00 1.00 C ATOM 1269 C VAL A 86 -14.688 1.523 3.099 1.00 1.00 C ATOM 1270 O VAL A 86 -15.809 1.591 2.599 1.00 1.00 O ATOM 1271 CB VAL A 86 -12.693 2.002 1.582 1.00 1.00 C ATOM 1272 CG1 VAL A 86 -13.499 1.224 0.541 1.00 1.00 C ATOM 1273 CG2 VAL A 86 -11.916 3.148 0.931 1.00 1.00 C ATOM 0 H VAL A 86 -11.801 2.689 3.766 1.00 1.00 H new ATOM 0 HA VAL A 86 -14.096 3.409 2.314 1.00 1.00 H new ATOM 0 HB VAL A 86 -11.970 1.317 2.025 1.00 1.00 H new ATOM 0 HG11 VAL A 86 -12.832 0.867 -0.244 1.00 1.00 H new ATOM 0 HG12 VAL A 86 -13.985 0.373 1.019 1.00 1.00 H new ATOM 0 HG13 VAL A 86 -14.256 1.876 0.105 1.00 1.00 H new ATOM 0 HG21 VAL A 86 -11.281 2.753 0.138 1.00 1.00 H new ATOM 0 HG22 VAL A 86 -12.616 3.869 0.509 1.00 1.00 H new ATOM 0 HG23 VAL A 86 -11.297 3.640 1.681 1.00 1.00 H new ATOM 1283 N VAL A 87 -14.319 0.619 3.996 1.00 1.00 N ATOM 1284 CA VAL A 87 -15.252 -0.392 4.466 1.00 1.00 C ATOM 1285 C VAL A 87 -16.503 0.293 5.019 1.00 1.00 C ATOM 1286 O VAL A 87 -17.585 -0.292 5.022 1.00 1.00 O ATOM 1287 CB VAL A 87 -14.566 -1.300 5.489 1.00 1.00 C ATOM 1288 CG1 VAL A 87 -15.525 -2.382 5.991 1.00 1.00 C ATOM 1289 CG2 VAL A 87 -13.296 -1.922 4.905 1.00 1.00 C ATOM 0 H VAL A 87 -13.388 0.566 4.409 1.00 1.00 H new ATOM 0 HA VAL A 87 -15.569 -1.032 3.643 1.00 1.00 H new ATOM 0 HB VAL A 87 -14.277 -0.686 6.342 1.00 1.00 H new ATOM 0 HG11 VAL A 87 -15.013 -3.014 6.717 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -16.388 -1.913 6.463 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -15.858 -2.991 5.151 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -12.828 -2.563 5.652 1.00 1.00 H new ATOM 0 HG22 VAL A 87 -13.552 -2.515 4.027 1.00 1.00 H new ATOM 0 HG23 VAL A 87 -12.602 -1.132 4.619 1.00 1.00 H new ATOM 1299 N ALA A 88 -16.314 1.523 5.472 1.00 1.00 N ATOM 1300 CA ALA A 88 -17.415 2.294 6.026 1.00 1.00 C ATOM 1301 C ALA A 88 -18.226 2.910 4.884 1.00 1.00 C ATOM 1302 O ALA A 88 -19.153 3.682 5.123 1.00 1.00 O ATOM 1303 CB ALA A 88 -16.866 3.350 6.987 1.00 1.00 C ATOM 0 H ALA A 88 -15.415 2.005 5.467 1.00 1.00 H new ATOM 0 HA ALA A 88 -18.085 1.651 6.597 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -17.691 3.928 7.402 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -16.324 2.860 7.795 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -16.191 4.016 6.449 1.00 1.00 H new ATOM 1309 N GLU A 89 -17.846 2.546 3.668 1.00 1.00 N ATOM 1310 CA GLU A 89 -18.527 3.053 2.489 1.00 1.00 C ATOM 1311 C GLU A 89 -18.872 1.904 1.539 1.00 1.00 C ATOM 1312 O GLU A 89 -19.995 1.817 1.046 1.00 1.00 O ATOM 1313 CB GLU A 89 -17.681 4.114 1.781 1.00 1.00 C ATOM 1314 CG GLU A 89 -18.541 5.305 1.352 1.00 1.00 C ATOM 1315 CD GLU A 89 -18.653 5.379 -0.172 1.00 1.00 C ATOM 1316 OE1 GLU A 89 -19.462 4.654 -0.769 1.00 1.00 O ATOM 1317 OE2 GLU A 89 -17.864 6.228 -0.736 1.00 1.00 O ATOM 0 H GLU A 89 -17.076 1.906 3.474 1.00 1.00 H new ATOM 0 HA GLU A 89 -19.456 3.527 2.806 1.00 1.00 H new ATOM 0 HB2 GLU A 89 -16.887 4.455 2.446 1.00 1.00 H new ATOM 0 HB3 GLU A 89 -17.198 3.676 0.907 1.00 1.00 H new ATOM 0 HG2 GLU A 89 -19.535 5.217 1.790 1.00 1.00 H new ATOM 0 HG3 GLU A 89 -18.106 6.229 1.734 1.00 1.00 H new ATOM 1325 N LYS A 90 -17.884 1.050 1.311 1.00 1.00 N ATOM 1326 CA LYS A 90 -18.069 -0.090 0.430 1.00 1.00 C ATOM 1327 C LYS A 90 -17.598 -1.360 1.141 1.00 1.00 C ATOM 1328 O LYS A 90 -16.532 -1.905 0.866 1.00 1.00 O ATOM 1329 CB LYS A 90 -17.379 0.154 -0.914 1.00 1.00 C ATOM 1330 CG LYS A 90 -18.295 -0.229 -2.078 1.00 1.00 C ATOM 1331 CD LYS A 90 -17.528 -0.231 -3.401 1.00 1.00 C ATOM 1332 CE LYS A 90 -16.587 -1.435 -3.488 1.00 1.00 C ATOM 1333 NZ LYS A 90 -15.448 -1.140 -4.385 1.00 1.00 N ATOM 0 H LYS A 90 -16.953 1.125 1.721 1.00 1.00 H new ATOM 0 HA LYS A 90 -19.126 -0.226 0.200 1.00 1.00 H new ATOM 0 HB2 LYS A 90 -17.099 1.204 -0.998 1.00 1.00 H new ATOM 0 HB3 LYS A 90 -16.458 -0.427 -0.965 1.00 1.00 H new ATOM 0 HG2 LYS A 90 -18.722 -1.216 -1.900 1.00 1.00 H new ATOM 0 HG3 LYS A 90 -19.127 0.473 -2.137 1.00 1.00 H new ATOM 0 HD2 LYS A 90 -18.232 -0.254 -4.233 1.00 1.00 H new ATOM 0 HD3 LYS A 90 -16.954 0.691 -3.494 1.00 1.00 H new ATOM 0 HE2 LYS A 90 -16.218 -1.688 -2.494 1.00 1.00 H new ATOM 0 HE3 LYS A 90 -17.132 -2.304 -3.857 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 -14.820 -1.968 -4.432 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 -15.804 -0.921 -5.337 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 -14.918 -0.324 -4.017 1.00 1.00 H new ATOM 1346 N PRO A 91 -18.431 -1.825 2.075 1.00 1.00 N ATOM 1347 CA PRO A 91 -18.187 -3.011 2.868 1.00 1.00 C ATOM 1348 C PRO A 91 -18.617 -4.245 2.086 1.00 1.00 C ATOM 1349 O PRO A 91 -18.930 -5.261 2.705 1.00 1.00 O ATOM 1350 CB PRO A 91 -19.045 -2.830 4.118 1.00 1.00 C ATOM 1351 CG PRO A 91 -20.150 -1.936 3.687 1.00 1.00 C ATOM 1352 CD PRO A 91 -19.693 -1.210 2.424 1.00 1.00 C ATOM 0 HA PRO A 91 -17.135 -3.144 3.120 1.00 1.00 H new ATOM 0 HB2 PRO A 91 -19.426 -3.785 4.479 1.00 1.00 H new ATOM 0 HB3 PRO A 91 -18.471 -2.387 4.932 1.00 1.00 H new ATOM 0 HG2 PRO A 91 -21.054 -2.512 3.491 1.00 1.00 H new ATOM 0 HG3 PRO A 91 -20.392 -1.221 4.473 1.00 1.00 H new ATOM 0 HD2 PRO A 91 -20.421 -1.320 1.620 1.00 1.00 H new ATOM 0 HD3 PRO A 91 -19.575 -0.141 2.604 1.00 1.00 H new ATOM 1360 N GLU A 92 -18.625 -4.138 0.765 1.00 1.00 N ATOM 1361 CA GLU A 92 -19.021 -5.256 -0.073 1.00 1.00 C ATOM 1362 C GLU A 92 -17.809 -6.133 -0.394 1.00 1.00 C ATOM 1363 O GLU A 92 -17.798 -6.838 -1.403 1.00 1.00 O ATOM 1364 CB GLU A 92 -19.699 -4.767 -1.355 1.00 1.00 C ATOM 1365 CG GLU A 92 -18.684 -4.125 -2.302 1.00 1.00 C ATOM 1366 CD GLU A 92 -18.597 -4.898 -3.620 1.00 1.00 C ATOM 1367 OE1 GLU A 92 -18.387 -6.120 -3.609 1.00 1.00 O ATOM 1368 OE2 GLU A 92 -18.758 -4.184 -4.682 1.00 1.00 O ATOM 0 H GLU A 92 -18.364 -3.294 0.255 1.00 1.00 H new ATOM 0 HA GLU A 92 -19.746 -5.858 0.475 1.00 1.00 H new ATOM 0 HB2 GLU A 92 -20.188 -5.604 -1.854 1.00 1.00 H new ATOM 0 HB3 GLU A 92 -20.477 -4.045 -1.106 1.00 1.00 H new ATOM 0 HG2 GLU A 92 -18.970 -3.092 -2.501 1.00 1.00 H new ATOM 0 HG3 GLU A 92 -17.704 -4.099 -1.826 1.00 1.00 H new ATOM 1376 N LEU A 93 -16.818 -6.062 0.482 1.00 1.00 N ATOM 1377 CA LEU A 93 -15.605 -6.841 0.305 1.00 1.00 C ATOM 1378 C LEU A 93 -15.285 -7.582 1.604 1.00 1.00 C ATOM 1379 O LEU A 93 -15.513 -8.786 1.709 1.00 1.00 O ATOM 1380 CB LEU A 93 -14.464 -5.950 -0.192 1.00 1.00 C ATOM 1381 CG LEU A 93 -14.792 -5.039 -1.377 1.00 1.00 C ATOM 1382 CD1 LEU A 93 -14.770 -3.567 -0.959 1.00 1.00 C ATOM 1383 CD2 LEU A 93 -13.856 -5.314 -2.556 1.00 1.00 C ATOM 0 H LEU A 93 -16.831 -5.476 1.317 1.00 1.00 H new ATOM 0 HA LEU A 93 -15.748 -7.598 -0.467 1.00 1.00 H new ATOM 0 HB2 LEU A 93 -14.128 -5.327 0.637 1.00 1.00 H new ATOM 0 HB3 LEU A 93 -13.626 -6.589 -0.471 1.00 1.00 H new ATOM 0 HG LEU A 93 -15.805 -5.264 -1.711 1.00 1.00 H new ATOM 0 HD11 LEU A 93 -15.006 -2.941 -1.819 1.00 1.00 H new ATOM 0 HD12 LEU A 93 -15.509 -3.400 -0.175 1.00 1.00 H new ATOM 0 HD13 LEU A 93 -13.779 -3.310 -0.584 1.00 1.00 H new ATOM 0 HD21 LEU A 93 -14.111 -4.653 -3.385 1.00 1.00 H new ATOM 0 HD22 LEU A 93 -12.825 -5.134 -2.252 1.00 1.00 H new ATOM 0 HD23 LEU A 93 -13.965 -6.351 -2.873 1.00 1.00 H new ATOM 1395 N LYS A 94 -14.762 -6.831 2.563 1.00 1.00 N ATOM 1396 CA LYS A 94 -14.408 -7.402 3.851 1.00 1.00 C ATOM 1397 C LYS A 94 -13.282 -8.420 3.662 1.00 1.00 C ATOM 1398 O LYS A 94 -12.128 -8.141 3.983 1.00 1.00 O ATOM 1399 CB LYS A 94 -15.647 -7.976 4.541 1.00 1.00 C ATOM 1400 CG LYS A 94 -15.310 -8.473 5.948 1.00 1.00 C ATOM 1401 CD LYS A 94 -16.509 -9.184 6.580 1.00 1.00 C ATOM 1402 CE LYS A 94 -17.074 -8.373 7.748 1.00 1.00 C ATOM 1403 NZ LYS A 94 -17.789 -9.258 8.695 1.00 1.00 N ATOM 0 H LYS A 94 -14.575 -5.832 2.473 1.00 1.00 H new ATOM 0 HA LYS A 94 -14.029 -6.629 4.519 1.00 1.00 H new ATOM 0 HB2 LYS A 94 -16.423 -7.212 4.597 1.00 1.00 H new ATOM 0 HB3 LYS A 94 -16.050 -8.797 3.948 1.00 1.00 H new ATOM 0 HG2 LYS A 94 -14.461 -9.155 5.903 1.00 1.00 H new ATOM 0 HG3 LYS A 94 -15.011 -7.632 6.573 1.00 1.00 H new ATOM 0 HD2 LYS A 94 -17.284 -9.335 5.829 1.00 1.00 H new ATOM 0 HD3 LYS A 94 -16.208 -10.171 6.930 1.00 1.00 H new ATOM 0 HE2 LYS A 94 -16.265 -7.856 8.264 1.00 1.00 H new ATOM 0 HE3 LYS A 94 -17.753 -7.608 7.372 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 -18.166 -8.692 9.482 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 -18.573 -9.732 8.203 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 -17.131 -9.972 9.067 1.00 1.00 H new ATOM 1416 N LYS A 95 -13.657 -9.579 3.141 1.00 1.00 N ATOM 1417 CA LYS A 95 -12.693 -10.641 2.905 1.00 1.00 C ATOM 1418 C LYS A 95 -12.113 -10.492 1.497 1.00 1.00 C ATOM 1419 O LYS A 95 -11.823 -11.487 0.833 1.00 1.00 O ATOM 1420 CB LYS A 95 -13.327 -12.008 3.168 1.00 1.00 C ATOM 1421 CG LYS A 95 -13.481 -12.261 4.669 1.00 1.00 C ATOM 1422 CD LYS A 95 -13.939 -13.696 4.939 1.00 1.00 C ATOM 1423 CE LYS A 95 -12.741 -14.637 5.082 1.00 1.00 C ATOM 1424 NZ LYS A 95 -12.151 -14.521 6.435 1.00 1.00 N ATOM 0 H LYS A 95 -14.615 -9.806 2.876 1.00 1.00 H new ATOM 0 HA LYS A 95 -11.860 -10.563 3.604 1.00 1.00 H new ATOM 0 HB2 LYS A 95 -14.303 -12.059 2.685 1.00 1.00 H new ATOM 0 HB3 LYS A 95 -12.710 -12.790 2.725 1.00 1.00 H new ATOM 0 HG2 LYS A 95 -12.531 -12.078 5.172 1.00 1.00 H new ATOM 0 HG3 LYS A 95 -14.203 -11.560 5.087 1.00 1.00 H new ATOM 0 HD2 LYS A 95 -14.539 -13.725 5.849 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -14.578 -14.037 4.125 1.00 1.00 H new ATOM 0 HE2 LYS A 95 -13.055 -15.665 4.902 1.00 1.00 H new ATOM 0 HE3 LYS A 95 -11.990 -14.397 4.329 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 -11.339 -15.166 6.516 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 -11.834 -13.543 6.593 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 -12.865 -14.772 7.148 1.00 1.00 H new ATOM 1437 N ASP A 96 -11.960 -9.243 1.083 1.00 1.00 N ATOM 1438 CA ASP A 96 -11.419 -8.952 -0.233 1.00 1.00 C ATOM 1439 C ASP A 96 -10.445 -7.776 -0.132 1.00 1.00 C ATOM 1440 O ASP A 96 -9.351 -7.821 -0.693 1.00 1.00 O ATOM 1441 CB ASP A 96 -12.529 -8.563 -1.211 1.00 1.00 C ATOM 1442 CG ASP A 96 -12.693 -9.499 -2.410 1.00 1.00 C ATOM 1443 OD1 ASP A 96 -12.621 -9.069 -3.571 1.00 1.00 O ATOM 1444 OD2 ASP A 96 -12.906 -10.736 -2.111 1.00 1.00 O ATOM 0 H ASP A 96 -12.201 -8.421 1.636 1.00 1.00 H new ATOM 0 HA ASP A 96 -10.916 -9.848 -0.596 1.00 1.00 H new ATOM 0 HB2 ASP A 96 -13.473 -8.524 -0.668 1.00 1.00 H new ATOM 0 HB3 ASP A 96 -12.331 -7.556 -1.580 1.00 1.00 H new ATOM 1450 N LEU A 97 -10.877 -6.752 0.589 1.00 1.00 N ATOM 1451 CA LEU A 97 -10.057 -5.567 0.772 1.00 1.00 C ATOM 1452 C LEU A 97 -9.288 -5.682 2.089 1.00 1.00 C ATOM 1453 O LEU A 97 -8.309 -4.969 2.305 1.00 1.00 O ATOM 1454 CB LEU A 97 -10.912 -4.302 0.668 1.00 1.00 C ATOM 1455 CG LEU A 97 -11.606 -4.070 -0.676 1.00 1.00 C ATOM 1456 CD1 LEU A 97 -11.850 -2.579 -0.917 1.00 1.00 C ATOM 1457 CD2 LEU A 97 -10.818 -4.714 -1.818 1.00 1.00 C ATOM 0 H LEU A 97 -11.785 -6.719 1.053 1.00 1.00 H new ATOM 0 HA LEU A 97 -9.317 -5.490 -0.024 1.00 1.00 H new ATOM 0 HB2 LEU A 97 -11.674 -4.337 1.447 1.00 1.00 H new ATOM 0 HB3 LEU A 97 -10.279 -3.441 0.881 1.00 1.00 H new ATOM 0 HG LEU A 97 -12.582 -4.555 -0.645 1.00 1.00 H new ATOM 0 HD11 LEU A 97 -12.344 -2.442 -1.879 1.00 1.00 H new ATOM 0 HD12 LEU A 97 -12.483 -2.181 -0.124 1.00 1.00 H new ATOM 0 HD13 LEU A 97 -10.897 -2.050 -0.920 1.00 1.00 H new ATOM 0 HD21 LEU A 97 -11.333 -4.534 -2.762 1.00 1.00 H new ATOM 0 HD22 LEU A 97 -9.819 -4.280 -1.861 1.00 1.00 H new ATOM 0 HD23 LEU A 97 -10.740 -5.787 -1.646 1.00 1.00 H new ATOM 1469 N THR A 98 -9.759 -6.585 2.936 1.00 1.00 N ATOM 1470 CA THR A 98 -9.128 -6.803 4.226 1.00 1.00 C ATOM 1471 C THR A 98 -9.011 -8.301 4.517 1.00 1.00 C ATOM 1472 O THR A 98 -9.182 -8.731 5.656 1.00 1.00 O ATOM 1473 CB THR A 98 -9.932 -6.040 5.281 1.00 1.00 C ATOM 1474 OG1 THR A 98 -10.930 -6.969 5.695 1.00 1.00 O ATOM 1475 CG2 THR A 98 -10.727 -4.878 4.683 1.00 1.00 C ATOM 0 H THR A 98 -10.571 -7.175 2.754 1.00 1.00 H new ATOM 0 HA THR A 98 -8.107 -6.422 4.236 1.00 1.00 H new ATOM 0 HB THR A 98 -9.257 -5.660 6.048 1.00 1.00 H new ATOM 0 HG1 THR A 98 -11.549 -7.136 4.954 1.00 1.00 H new ATOM 0 HG21 THR A 98 -11.279 -4.370 5.474 1.00 1.00 H new ATOM 0 HG22 THR A 98 -10.042 -4.175 4.209 1.00 1.00 H new ATOM 0 HG23 THR A 98 -11.427 -5.260 3.940 1.00 1.00 H new ATOM 1483 N GLY A 99 -8.722 -9.054 3.466 1.00 1.00 N ATOM 1484 CA GLY A 99 -8.580 -10.495 3.594 1.00 1.00 C ATOM 1485 C GLY A 99 -7.106 -10.900 3.631 1.00 1.00 C ATOM 1486 O GLY A 99 -6.327 -10.504 2.764 1.00 1.00 O ATOM 0 H GLY A 99 -8.582 -8.694 2.522 1.00 1.00 H new ATOM 0 HA2 GLY A 99 -9.077 -10.833 4.503 1.00 1.00 H new ATOM 0 HA3 GLY A 99 -9.075 -10.988 2.758 1.00 1.00 H new ATOM 1490 N CYS A 100 -6.765 -11.685 4.643 1.00 1.00 N ATOM 1491 CA CYS A 100 -5.398 -12.148 4.804 1.00 1.00 C ATOM 1492 C CYS A 100 -5.091 -13.140 3.680 1.00 1.00 C ATOM 1493 O CYS A 100 -3.940 -13.286 3.273 1.00 1.00 O ATOM 1494 CB CYS A 100 -5.167 -12.762 6.186 1.00 1.00 C ATOM 1495 SG CYS A 100 -5.472 -11.628 7.590 1.00 1.00 S ATOM 0 H CYS A 100 -7.413 -12.012 5.360 1.00 1.00 H new ATOM 0 HA CYS A 100 -4.715 -11.301 4.737 1.00 1.00 H new ATOM 0 HB2 CYS A 100 -5.813 -13.633 6.294 1.00 1.00 H new ATOM 0 HB3 CYS A 100 -4.139 -13.119 6.242 1.00 1.00 H new ATOM 1500 N ALA A 101 -6.142 -13.797 3.211 1.00 1.00 N ATOM 1501 CA ALA A 101 -5.999 -14.771 2.142 1.00 1.00 C ATOM 1502 C ALA A 101 -7.255 -14.749 1.268 1.00 1.00 C ATOM 1503 O ALA A 101 -8.238 -14.090 1.602 1.00 1.00 O ATOM 1504 CB ALA A 101 -5.732 -16.152 2.743 1.00 1.00 C ATOM 0 H ALA A 101 -7.096 -13.674 3.552 1.00 1.00 H new ATOM 0 HA ALA A 101 -5.149 -14.522 1.506 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -5.625 -16.883 1.942 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -4.815 -16.122 3.332 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -6.566 -16.437 3.385 1.00 1.00 H new ATOM 1510 N LYS A 102 -7.181 -15.478 0.163 1.00 1.00 N ATOM 1511 CA LYS A 102 -8.298 -15.551 -0.762 1.00 1.00 C ATOM 1512 C LYS A 102 -8.901 -14.155 -0.937 1.00 1.00 C ATOM 1513 O LYS A 102 -10.121 -13.999 -0.946 1.00 1.00 O ATOM 1514 CB LYS A 102 -9.308 -16.603 -0.300 1.00 1.00 C ATOM 1515 CG LYS A 102 -8.715 -18.010 -0.392 1.00 1.00 C ATOM 1516 CD LYS A 102 -9.357 -18.944 0.635 1.00 1.00 C ATOM 1517 CE LYS A 102 -9.492 -20.363 0.077 1.00 1.00 C ATOM 1518 NZ LYS A 102 -10.901 -20.811 0.134 1.00 1.00 N ATOM 0 H LYS A 102 -6.364 -16.023 -0.112 1.00 1.00 H new ATOM 0 HA LYS A 102 -7.958 -15.878 -1.745 1.00 1.00 H new ATOM 0 HB2 LYS A 102 -9.608 -16.398 0.728 1.00 1.00 H new ATOM 0 HB3 LYS A 102 -10.207 -16.543 -0.913 1.00 1.00 H new ATOM 0 HG2 LYS A 102 -8.867 -18.408 -1.395 1.00 1.00 H new ATOM 0 HG3 LYS A 102 -7.639 -17.966 -0.226 1.00 1.00 H new ATOM 0 HD2 LYS A 102 -8.754 -18.962 1.543 1.00 1.00 H new ATOM 0 HD3 LYS A 102 -10.340 -18.564 0.913 1.00 1.00 H new ATOM 0 HE2 LYS A 102 -9.137 -20.390 -0.953 1.00 1.00 H new ATOM 0 HE3 LYS A 102 -8.864 -21.046 0.649 1.00 1.00 H new ATOM 0 HZ1 LYS A 102 -10.974 -21.775 -0.248 1.00 1.00 H new ATOM 0 HZ2 LYS A 102 -11.228 -20.804 1.121 1.00 1.00 H new ATOM 0 HZ3 LYS A 102 -11.493 -20.169 -0.431 1.00 1.00 H new ATOM 1531 N SER A 103 -8.018 -13.177 -1.073 1.00 1.00 N ATOM 1532 CA SER A 103 -8.447 -11.800 -1.248 1.00 1.00 C ATOM 1533 C SER A 103 -7.859 -11.228 -2.540 1.00 1.00 C ATOM 1534 O SER A 103 -7.423 -11.978 -3.412 1.00 1.00 O ATOM 1535 CB SER A 103 -8.037 -10.939 -0.052 1.00 1.00 C ATOM 1536 OG SER A 103 -6.628 -10.731 -0.001 1.00 1.00 O ATOM 0 H SER A 103 -7.007 -13.311 -1.066 1.00 1.00 H new ATOM 0 HA SER A 103 -9.535 -11.787 -1.315 1.00 1.00 H new ATOM 0 HB2 SER A 103 -8.544 -9.976 -0.108 1.00 1.00 H new ATOM 0 HB3 SER A 103 -8.366 -11.419 0.870 1.00 1.00 H new ATOM 0 HG SER A 103 -6.344 -10.643 0.933 1.00 1.00 H new ATOM 1542 N LYS A 104 -7.866 -9.906 -2.621 1.00 1.00 N ATOM 1543 CA LYS A 104 -7.338 -9.225 -3.791 1.00 1.00 C ATOM 1544 C LYS A 104 -5.891 -8.809 -3.524 1.00 1.00 C ATOM 1545 O LYS A 104 -5.307 -8.050 -4.296 1.00 1.00 O ATOM 1546 CB LYS A 104 -8.249 -8.062 -4.190 1.00 1.00 C ATOM 1547 CG LYS A 104 -9.722 -8.433 -4.010 1.00 1.00 C ATOM 1548 CD LYS A 104 -10.196 -9.359 -5.132 1.00 1.00 C ATOM 1549 CE LYS A 104 -9.938 -10.825 -4.778 1.00 1.00 C ATOM 1550 NZ LYS A 104 -10.897 -11.705 -5.482 1.00 1.00 N ATOM 0 H LYS A 104 -8.229 -9.288 -1.895 1.00 1.00 H new ATOM 0 HA LYS A 104 -7.323 -9.897 -4.649 1.00 1.00 H new ATOM 0 HB2 LYS A 104 -8.014 -7.187 -3.584 1.00 1.00 H new ATOM 0 HB3 LYS A 104 -8.063 -7.790 -5.229 1.00 1.00 H new ATOM 0 HG2 LYS A 104 -9.862 -8.923 -3.046 1.00 1.00 H new ATOM 0 HG3 LYS A 104 -10.330 -7.528 -3.999 1.00 1.00 H new ATOM 0 HD2 LYS A 104 -11.260 -9.206 -5.310 1.00 1.00 H new ATOM 0 HD3 LYS A 104 -9.679 -9.108 -6.058 1.00 1.00 H new ATOM 0 HE2 LYS A 104 -8.918 -11.097 -5.051 1.00 1.00 H new ATOM 0 HE3 LYS A 104 -10.029 -10.967 -3.701 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 -10.708 -12.696 -5.230 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 -11.867 -11.456 -5.202 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 -10.791 -11.582 -6.509 1.00 1.00 H new ATOM 1563 N CYS A 105 -5.353 -9.324 -2.428 1.00 1.00 N ATOM 1564 CA CYS A 105 -3.984 -9.015 -2.050 1.00 1.00 C ATOM 1565 C CYS A 105 -3.224 -10.332 -1.881 1.00 1.00 C ATOM 1566 O CYS A 105 -2.166 -10.530 -2.475 1.00 1.00 O ATOM 1567 CB CYS A 105 -3.927 -8.156 -0.785 1.00 1.00 C ATOM 1568 SG CYS A 105 -3.494 -6.432 -1.219 1.00 1.00 S ATOM 0 H CYS A 105 -5.840 -9.953 -1.790 1.00 1.00 H new ATOM 0 HA CYS A 105 -3.512 -8.422 -2.834 1.00 1.00 H new ATOM 0 HB2 CYS A 105 -4.890 -8.181 -0.275 1.00 1.00 H new ATOM 0 HB3 CYS A 105 -3.189 -8.562 -0.093 1.00 1.00 H new ATOM 1573 N HIS A 106 -3.796 -11.212 -1.058 1.00 1.00 N ATOM 1574 CA HIS A 106 -3.219 -12.520 -0.773 1.00 1.00 C ATOM 1575 C HIS A 106 -4.110 -13.624 -1.371 1.00 1.00 C ATOM 1576 O HIS A 106 -4.719 -14.420 -0.660 1.00 1.00 O ATOM 1577 CB HIS A 106 -2.992 -12.644 0.741 1.00 1.00 C ATOM 1578 CG HIS A 106 -1.957 -11.726 1.350 1.00 1.00 C ATOM 1579 ND1 HIS A 106 -0.665 -11.771 1.008 1.00 1.00 N ATOM 1580 CD2 HIS A 106 -2.067 -10.735 2.295 1.00 1.00 C ATOM 1581 CE1 HIS A 106 0.002 -10.843 1.712 1.00 1.00 C ATOM 1582 NE2 HIS A 106 -0.816 -10.175 2.522 1.00 1.00 N ATOM 0 H HIS A 106 -4.674 -11.034 -0.571 1.00 1.00 H new ATOM 0 HA HIS A 106 -2.244 -12.637 -1.247 1.00 1.00 H new ATOM 0 HB2 HIS A 106 -3.943 -12.465 1.243 1.00 1.00 H new ATOM 0 HB3 HIS A 106 -2.705 -13.673 0.959 1.00 1.00 H new ATOM 0 HD1 HIS A 106 -0.254 -12.406 0.324 1.00 1.00 H new ATOM 0 HD2 HIS A 106 -2.983 -10.438 2.785 1.00 1.00 H new ATOM 0 HE1 HIS A 106 1.064 -10.662 1.632 1.00 1.00 H new ATOM 1590 N PRO A 107 -4.168 -13.651 -2.705 1.00 1.00 N ATOM 1591 CA PRO A 107 -4.943 -14.605 -3.469 1.00 1.00 C ATOM 1592 C PRO A 107 -4.319 -15.987 -3.341 1.00 1.00 C ATOM 1593 O PRO A 107 -3.778 -16.332 -2.292 1.00 1.00 O ATOM 1594 CB PRO A 107 -4.872 -14.103 -4.909 1.00 1.00 C ATOM 1595 CG PRO A 107 -3.492 -13.387 -4.950 1.00 1.00 C ATOM 1596 CD PRO A 107 -3.465 -12.730 -3.571 1.00 1.00 C ATOM 0 HA PRO A 107 -5.974 -14.688 -3.125 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -4.926 -14.921 -5.627 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -5.690 -13.421 -5.141 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -2.668 -14.087 -5.090 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -3.430 -12.656 -5.756 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -2.442 -12.570 -3.230 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -3.952 -11.755 -3.589 1.00 1.00 H new TER 1604 PRO A 107 HETATM 1605 CHA HEM A 233 4.549 2.904 -7.636 1.00 1.00 C HETATM 1606 CHB HEM A 233 2.935 6.855 -9.982 1.00 1.00 C HETATM 1607 CHC HEM A 233 -0.926 7.043 -7.020 1.00 1.00 C HETATM 1608 CHD HEM A 233 0.546 2.912 -4.862 1.00 1.00 C HETATM 1609 C1A HEM A 233 4.439 3.969 -8.523 1.00 1.00 C HETATM 1610 C2A HEM A 233 5.405 4.271 -9.553 1.00 1.00 C HETATM 1611 C3A HEM A 233 4.960 5.366 -10.205 1.00 1.00 C HETATM 1612 C4A HEM A 233 3.715 5.753 -9.586 1.00 1.00 C HETATM 1613 CMA HEM A 233 5.604 6.080 -11.359 1.00 1.00 C HETATM 1614 CAA HEM A 233 6.657 3.485 -9.814 1.00 1.00 C HETATM 1615 CBA HEM A 233 6.888 3.156 -11.286 1.00 1.00 C HETATM 1616 CGA HEM A 233 5.573 2.867 -11.995 1.00 1.00 C HETATM 1617 O1A HEM A 233 5.369 3.461 -13.076 1.00 1.00 O HETATM 1618 O2A HEM A 233 4.797 2.056 -11.444 1.00 1.00 O HETATM 1619 C1B HEM A 233 1.762 7.258 -9.353 1.00 1.00 C HETATM 1620 C2B HEM A 233 1.026 8.452 -9.696 1.00 1.00 C HETATM 1621 C3B HEM A 233 -0.045 8.507 -8.877 1.00 1.00 C HETATM 1622 C4B HEM A 233 0.017 7.348 -8.018 1.00 1.00 C HETATM 1623 CMB HEM A 233 1.417 9.422 -10.773 1.00 1.00 C HETATM 1624 CAB HEM A 233 -1.121 9.553 -8.831 1.00 1.00 C HETATM 1625 CBB HEM A 233 -1.821 9.783 -10.167 1.00 1.00 C HETATM 1626 C1C HEM A 233 -0.866 5.915 -6.168 1.00 1.00 C HETATM 1627 C2C HEM A 233 -1.769 5.661 -5.070 1.00 1.00 C HETATM 1628 C3C HEM A 233 -1.351 4.528 -4.466 1.00 1.00 C HETATM 1629 C4C HEM A 233 -0.185 4.069 -5.185 1.00 1.00 C HETATM 1630 CMC HEM A 233 -2.941 6.524 -4.705 1.00 1.00 C HETATM 1631 CAC HEM A 233 -1.951 3.841 -3.275 1.00 1.00 C HETATM 1632 CBC HEM A 233 -3.450 3.584 -3.396 1.00 1.00 C HETATM 1633 C1D HEM A 233 1.770 2.569 -5.426 1.00 1.00 C HETATM 1634 C2D HEM A 233 2.560 1.431 -5.022 1.00 1.00 C HETATM 1635 C3D HEM A 233 3.671 1.425 -5.789 1.00 1.00 C HETATM 1636 C4D HEM A 233 3.580 2.561 -6.676 1.00 1.00 C HETATM 1637 CMD HEM A 233 2.178 0.459 -3.944 1.00 1.00 C HETATM 1638 CAD HEM A 233 4.809 0.447 -5.761 1.00 1.00 C HETATM 1639 CBD HEM A 233 6.099 1.012 -5.173 1.00 1.00 C HETATM 1640 CGD HEM A 233 7.317 0.497 -5.927 1.00 1.00 C HETATM 1641 O1D HEM A 233 8.029 -0.349 -5.346 1.00 1.00 O HETATM 1642 O2D HEM A 233 7.512 0.960 -7.072 1.00 1.00 O HETATM 1643 NA HEM A 233 3.404 4.887 -8.552 1.00 1.00 N HETATM 1644 NB HEM A 233 1.133 6.586 -8.319 1.00 1.00 N HETATM 1645 NC HEM A 233 0.104 4.929 -6.230 1.00 1.00 N HETATM 1646 ND HEM A 233 2.407 3.258 -6.445 1.00 1.00 N HETATM 1647 FE HEM A 233 1.700 4.974 -7.332 1.00 1.00 FE HETATM 0 HMA1 HEM A 233 6.686 5.967 -11.298 1.00 1.00 H new HETATM 0 HMA2 HEM A 233 5.347 7.139 -11.321 1.00 1.00 H new HETATM 0 HMA3 HEM A 233 5.247 5.653 -12.296 1.00 1.00 H new HETATM 0 HMB1 HEM A 233 2.502 9.429 -10.880 1.00 1.00 H new HETATM 0 HMB2 HEM A 233 1.073 10.421 -10.505 1.00 1.00 H new HETATM 0 HMB3 HEM A 233 0.961 9.122 -11.716 1.00 1.00 H new HETATM 0 HMC1 HEM A 233 -2.731 7.558 -4.979 1.00 1.00 H new HETATM 0 HMC2 HEM A 233 -3.118 6.462 -3.631 1.00 1.00 H new HETATM 0 HMC3 HEM A 233 -3.827 6.180 -5.239 1.00 1.00 H new HETATM 0 HMD1 HEM A 233 2.596 -0.521 -4.173 1.00 1.00 H new HETATM 0 HMD2 HEM A 233 1.092 0.386 -3.888 1.00 1.00 H new HETATM 0 HMD3 HEM A 233 2.568 0.805 -2.987 1.00 1.00 H new HETATM 0 HBB1 HEM A 233 -2.619 10.522 -10.244 1.00 1.00 H new HETATM 0 HBB2 HEM A 233 -1.523 9.209 -11.044 1.00 1.00 H new HETATM 0 HBC1 HEM A 233 -3.985 3.090 -2.585 1.00 1.00 H new HETATM 0 HBC2 HEM A 233 -3.986 3.895 -4.293 1.00 1.00 H new HETATM 0 HBA1 HEM A 233 7.548 2.292 -11.370 1.00 1.00 H new HETATM 0 HBA2 HEM A 233 7.392 3.990 -11.774 1.00 1.00 H new HETATM 0 HAA1 HEM A 233 6.615 2.555 -9.247 1.00 1.00 H new HETATM 0 HAA2 HEM A 233 7.512 4.048 -9.440 1.00 1.00 H new HETATM 0 HBD1 HEM A 233 6.175 0.735 -4.121 1.00 1.00 H new HETATM 0 HBD2 HEM A 233 6.075 2.101 -5.215 1.00 1.00 H new HETATM 0 HAD1 HEM A 233 5.005 0.104 -6.777 1.00 1.00 H new HETATM 0 HAD2 HEM A 233 4.510 -0.426 -5.182 1.00 1.00 H new HETATM 0 HHA HEM A 233 5.441 2.298 -7.688 1.00 1.00 H new HETATM 0 HHB HEM A 233 3.271 7.428 -10.834 1.00 1.00 H new HETATM 0 HHC HEM A 233 -1.758 7.720 -6.895 1.00 1.00 H new HETATM 0 HHD HEM A 233 0.128 2.243 -4.124 1.00 1.00 H new HETATM 0 HAB HEM A 233 -1.379 10.099 -7.924 1.00 1.00 H new HETATM 0 HAC HEM A 233 -1.368 3.551 -2.401 1.00 1.00 H new HETATM 1648 CHA HEM A 251 7.161 6.769 6.908 1.00 1.00 C HETATM 1649 CHB HEM A 251 4.435 4.257 3.749 1.00 1.00 C HETATM 1650 CHC HEM A 251 7.694 5.110 0.232 1.00 1.00 C HETATM 1651 CHD HEM A 251 10.602 7.376 3.514 1.00 1.00 C HETATM 1652 C1A HEM A 251 6.135 6.021 6.340 1.00 1.00 C HETATM 1653 C2A HEM A 251 4.954 5.593 7.051 1.00 1.00 C HETATM 1654 C3A HEM A 251 4.196 4.896 6.179 1.00 1.00 C HETATM 1655 C4A HEM A 251 4.900 4.886 4.918 1.00 1.00 C HETATM 1656 CMA HEM A 251 2.868 4.240 6.426 1.00 1.00 C HETATM 1657 CAA HEM A 251 4.664 5.891 8.494 1.00 1.00 C HETATM 1658 CBA HEM A 251 5.576 5.158 9.474 1.00 1.00 C HETATM 1659 CGA HEM A 251 4.800 4.124 10.276 1.00 1.00 C HETATM 1660 O1A HEM A 251 4.294 4.504 11.354 1.00 1.00 O HETATM 1661 O2A HEM A 251 4.726 2.972 9.796 1.00 1.00 O HETATM 1662 C1B HEM A 251 5.124 4.228 2.541 1.00 1.00 C HETATM 1663 C2B HEM A 251 4.736 3.426 1.405 1.00 1.00 C HETATM 1664 C3B HEM A 251 5.637 3.660 0.428 1.00 1.00 C HETATM 1665 C4B HEM A 251 6.593 4.609 0.950 1.00 1.00 C HETATM 1666 CMB HEM A 251 3.543 2.516 1.363 1.00 1.00 C HETATM 1667 CAB HEM A 251 5.679 3.071 -0.952 1.00 1.00 C HETATM 1668 CBB HEM A 251 4.370 3.203 -1.724 1.00 1.00 C HETATM 1669 C1C HEM A 251 8.807 5.890 0.814 1.00 1.00 C HETATM 1670 C2C HEM A 251 10.094 6.090 0.191 1.00 1.00 C HETATM 1671 C3C HEM A 251 10.899 6.659 1.113 1.00 1.00 C HETATM 1672 C4C HEM A 251 10.118 6.817 2.317 1.00 1.00 C HETATM 1673 CMC HEM A 251 10.429 5.719 -1.225 1.00 1.00 C HETATM 1674 CAC HEM A 251 12.335 7.066 0.961 1.00 1.00 C HETATM 1675 CBC HEM A 251 12.545 8.278 0.058 1.00 1.00 C HETATM 1676 C1D HEM A 251 9.924 7.350 4.728 1.00 1.00 C HETATM 1677 C2D HEM A 251 10.497 7.762 5.988 1.00 1.00 C HETATM 1678 C3D HEM A 251 9.546 7.595 6.931 1.00 1.00 C HETATM 1679 C4D HEM A 251 8.374 7.077 6.264 1.00 1.00 C HETATM 1680 CMD HEM A 251 11.896 8.275 6.167 1.00 1.00 C HETATM 1681 CAD HEM A 251 9.642 7.879 8.401 1.00 1.00 C HETATM 1682 CBD HEM A 251 11.050 7.727 8.972 1.00 1.00 C HETATM 1683 CGD HEM A 251 11.672 9.085 9.263 1.00 1.00 C HETATM 1684 O1D HEM A 251 12.855 9.258 8.897 1.00 1.00 O HETATM 1685 O2D HEM A 251 10.954 9.925 9.847 1.00 1.00 O HETATM 1686 NA HEM A 251 6.092 5.581 5.029 1.00 1.00 N HETATM 1687 NB HEM A 251 6.267 4.952 2.251 1.00 1.00 N HETATM 1688 NC HEM A 251 8.833 6.341 2.123 1.00 1.00 N HETATM 1689 ND HEM A 251 8.617 6.930 4.910 1.00 1.00 N HETATM 1690 FE HEM A 251 7.450 5.891 3.605 1.00 1.00 FE HETATM 0 HMA1 HEM A 251 2.805 3.926 7.468 1.00 1.00 H new HETATM 0 HMA2 HEM A 251 2.766 3.369 5.778 1.00 1.00 H new HETATM 0 HMA3 HEM A 251 2.067 4.948 6.211 1.00 1.00 H new HETATM 0 HMB1 HEM A 251 3.341 2.135 2.364 1.00 1.00 H new HETATM 0 HMB2 HEM A 251 3.745 1.682 0.691 1.00 1.00 H new HETATM 0 HMB3 HEM A 251 2.676 3.070 1.004 1.00 1.00 H new HETATM 0 HMC1 HEM A 251 11.190 6.398 -1.609 1.00 1.00 H new HETATM 0 HMC2 HEM A 251 9.533 5.792 -1.842 1.00 1.00 H new HETATM 0 HMC3 HEM A 251 10.807 4.697 -1.254 1.00 1.00 H new HETATM 0 HMD1 HEM A 251 11.922 8.976 7.001 1.00 1.00 H new HETATM 0 HMD2 HEM A 251 12.217 8.781 5.257 1.00 1.00 H new HETATM 0 HMD3 HEM A 251 12.566 7.440 6.373 1.00 1.00 H new HETATM 0 HBB1 HEM A 251 4.293 2.808 -2.737 1.00 1.00 H new HETATM 0 HBB2 HEM A 251 3.512 3.692 -1.263 1.00 1.00 H new HETATM 0 HBC1 HEM A 251 13.551 8.657 -0.120 1.00 1.00 H new HETATM 0 HBC2 HEM A 251 11.689 8.765 -0.409 1.00 1.00 H new HETATM 0 HBA1 HEM A 251 6.039 5.876 10.151 1.00 1.00 H new HETATM 0 HBA2 HEM A 251 6.383 4.669 8.928 1.00 1.00 H new HETATM 0 HAA1 HEM A 251 3.629 5.625 8.708 1.00 1.00 H new HETATM 0 HAA2 HEM A 251 4.758 6.964 8.659 1.00 1.00 H new HETATM 0 HBD1 HEM A 251 11.675 7.181 8.266 1.00 1.00 H new HETATM 0 HBD2 HEM A 251 11.013 7.137 9.888 1.00 1.00 H new HETATM 0 HAD1 HEM A 251 8.970 7.207 8.935 1.00 1.00 H new HETATM 0 HAD2 HEM A 251 9.293 8.894 8.588 1.00 1.00 H new HETATM 0 HHA HEM A 251 7.017 7.139 7.912 1.00 1.00 H new HETATM 0 HHB HEM A 251 3.476 3.762 3.792 1.00 1.00 H new HETATM 0 HHC HEM A 251 7.729 4.909 -0.829 1.00 1.00 H new HETATM 0 HHD HEM A 251 11.568 7.859 3.488 1.00 1.00 H new HETATM 0 HAB HEM A 251 6.566 2.592 -1.366 1.00 1.00 H new HETATM 0 HAC HEM A 251 13.155 6.542 1.452 1.00 1.00 H new HETATM 1691 CHA HEM A 282 -9.073 -1.672 -4.074 1.00 1.00 C HETATM 1692 CHB HEM A 282 -4.477 -2.766 -2.891 1.00 1.00 C HETATM 1693 CHC HEM A 282 -4.000 1.567 -0.718 1.00 1.00 C HETATM 1694 CHD HEM A 282 -8.640 2.616 -1.805 1.00 1.00 C HETATM 1695 C1A HEM A 282 -7.854 -2.330 -3.951 1.00 1.00 C HETATM 1696 C2A HEM A 282 -7.572 -3.628 -4.515 1.00 1.00 C HETATM 1697 C3A HEM A 282 -6.298 -3.935 -4.189 1.00 1.00 C HETATM 1698 C4A HEM A 282 -5.779 -2.829 -3.420 1.00 1.00 C HETATM 1699 CMA HEM A 282 -5.528 -5.175 -4.538 1.00 1.00 C HETATM 1700 CAA HEM A 282 -8.545 -4.449 -5.310 1.00 1.00 C HETATM 1701 CBA HEM A 282 -8.545 -4.138 -6.804 1.00 1.00 C HETATM 1702 CGA HEM A 282 -9.832 -4.612 -7.463 1.00 1.00 C HETATM 1703 O1A HEM A 282 -10.899 -4.390 -6.850 1.00 1.00 O HETATM 1704 O2A HEM A 282 -9.726 -5.187 -8.568 1.00 1.00 O HETATM 1705 C1B HEM A 282 -3.953 -1.671 -2.212 1.00 1.00 C HETATM 1706 C2B HEM A 282 -2.593 -1.587 -1.734 1.00 1.00 C HETATM 1707 C3B HEM A 282 -2.458 -0.387 -1.131 1.00 1.00 C HETATM 1708 C4B HEM A 282 -3.733 0.284 -1.230 1.00 1.00 C HETATM 1709 CMB HEM A 282 -1.557 -2.661 -1.900 1.00 1.00 C HETATM 1710 CAB HEM A 282 -1.236 0.183 -0.471 1.00 1.00 C HETATM 1711 CBB HEM A 282 0.056 -0.056 -1.246 1.00 1.00 C HETATM 1712 C1C HEM A 282 -5.252 2.200 -0.772 1.00 1.00 C HETATM 1713 C2C HEM A 282 -5.565 3.456 -0.132 1.00 1.00 C HETATM 1714 C3C HEM A 282 -6.846 3.750 -0.440 1.00 1.00 C HETATM 1715 C4C HEM A 282 -7.339 2.679 -1.274 1.00 1.00 C HETATM 1716 CMC HEM A 282 -4.611 4.252 0.710 1.00 1.00 C HETATM 1717 CAC HEM A 282 -7.645 4.949 -0.020 1.00 1.00 C HETATM 1718 CBC HEM A 282 -6.804 6.193 0.250 1.00 1.00 C HETATM 1719 C1D HEM A 282 -9.139 1.549 -2.545 1.00 1.00 C HETATM 1720 C2D HEM A 282 -10.452 1.521 -3.145 1.00 1.00 C HETATM 1721 C3D HEM A 282 -10.575 0.334 -3.774 1.00 1.00 C HETATM 1722 C4D HEM A 282 -9.340 -0.385 -3.571 1.00 1.00 C HETATM 1723 CMD HEM A 282 -11.460 2.630 -3.058 1.00 1.00 C HETATM 1724 CAD HEM A 282 -11.752 -0.183 -4.550 1.00 1.00 C HETATM 1725 CBD HEM A 282 -11.537 -0.209 -6.060 1.00 1.00 C HETATM 1726 CGD HEM A 282 -12.168 1.005 -6.725 1.00 1.00 C HETATM 1727 O1D HEM A 282 -11.390 1.871 -7.182 1.00 1.00 O HETATM 1728 O2D HEM A 282 -13.417 1.046 -6.763 1.00 1.00 O HETATM 1729 NA HEM A 282 -6.745 -1.847 -3.279 1.00 1.00 N HETATM 1730 NB HEM A 282 -4.645 -0.515 -1.897 1.00 1.00 N HETATM 1731 NC HEM A 282 -6.350 1.731 -1.472 1.00 1.00 N HETATM 1732 ND HEM A 282 -8.463 0.372 -2.813 1.00 1.00 N HETATM 1733 FE HEM A 282 -6.563 0.018 -2.287 1.00 1.00 FE HETATM 0 HMA1 HEM A 282 -6.214 -6.017 -4.624 1.00 1.00 H new HETATM 0 HMA2 HEM A 282 -4.797 -5.381 -3.757 1.00 1.00 H new HETATM 0 HMA3 HEM A 282 -5.013 -5.028 -5.487 1.00 1.00 H new HETATM 0 HMB1 HEM A 282 -2.044 -3.636 -1.921 1.00 1.00 H new HETATM 0 HMB2 HEM A 282 -0.857 -2.623 -1.066 1.00 1.00 H new HETATM 0 HMB3 HEM A 282 -1.017 -2.505 -2.834 1.00 1.00 H new HETATM 0 HMC1 HEM A 282 -3.908 3.578 1.200 1.00 1.00 H new HETATM 0 HMC2 HEM A 282 -5.168 4.807 1.465 1.00 1.00 H new HETATM 0 HMC3 HEM A 282 -4.063 4.950 0.077 1.00 1.00 H new HETATM 0 HMD1 HEM A 282 -12.082 2.627 -3.953 1.00 1.00 H new HETATM 0 HMD2 HEM A 282 -10.943 3.586 -2.979 1.00 1.00 H new HETATM 0 HMD3 HEM A 282 -12.087 2.483 -2.179 1.00 1.00 H new HETATM 0 HBB1 HEM A 282 1.003 0.317 -0.855 1.00 1.00 H new HETATM 0 HBB2 HEM A 282 0.032 -0.599 -2.191 1.00 1.00 H new HETATM 0 HBC1 HEM A 282 -7.286 7.120 0.561 1.00 1.00 H new HETATM 0 HBC2 HEM A 282 -5.721 6.155 0.132 1.00 1.00 H new HETATM 0 HBA1 HEM A 282 -7.691 -4.620 -7.279 1.00 1.00 H new HETATM 0 HBA2 HEM A 282 -8.430 -3.065 -6.955 1.00 1.00 H new HETATM 0 HAA1 HEM A 282 -9.548 -4.287 -4.916 1.00 1.00 H new HETATM 0 HAA2 HEM A 282 -8.314 -5.505 -5.169 1.00 1.00 H new HETATM 0 HBD1 HEM A 282 -11.967 -1.120 -6.476 1.00 1.00 H new HETATM 0 HBD2 HEM A 282 -10.469 -0.233 -6.278 1.00 1.00 H new HETATM 0 HAD1 HEM A 282 -12.621 0.436 -4.328 1.00 1.00 H new HETATM 0 HAD2 HEM A 282 -11.984 -1.192 -4.209 1.00 1.00 H new HETATM 0 HHA HEM A 282 -9.870 -2.184 -4.592 1.00 1.00 H new HETATM 0 HHB HEM A 282 -3.840 -3.628 -3.021 1.00 1.00 H new HETATM 0 HHC HEM A 282 -3.186 2.102 -0.251 1.00 1.00 H new HETATM 0 HHD HEM A 282 -9.297 3.454 -1.626 1.00 1.00 H new HETATM 0 HAB HEM A 282 -1.269 0.720 0.477 1.00 1.00 H new HETATM 0 HAC HEM A 282 -8.730 4.933 0.083 1.00 1.00 H new HETATM 1734 CHA HEM A 305 2.943 -8.975 2.940 1.00 1.00 C HETATM 1735 CHB HEM A 305 0.094 -11.004 6.329 1.00 1.00 C HETATM 1736 CHC HEM A 305 -3.735 -8.539 4.600 1.00 1.00 C HETATM 1737 CHD HEM A 305 -0.840 -6.385 1.296 1.00 1.00 C HETATM 1738 C1A HEM A 305 2.492 -9.728 4.019 1.00 1.00 C HETATM 1739 C2A HEM A 305 3.338 -10.571 4.830 1.00 1.00 C HETATM 1740 C3A HEM A 305 2.551 -11.135 5.771 1.00 1.00 C HETATM 1741 C4A HEM A 305 1.210 -10.646 5.551 1.00 1.00 C HETATM 1742 CMA HEM A 305 2.949 -12.092 6.856 1.00 1.00 C HETATM 1743 CAA HEM A 305 4.814 -10.756 4.628 1.00 1.00 C HETATM 1744 CBA HEM A 305 5.629 -10.699 5.917 1.00 1.00 C HETATM 1745 CGA HEM A 305 6.253 -12.051 6.231 1.00 1.00 C HETATM 1746 O1A HEM A 305 5.882 -12.617 7.282 1.00 1.00 O HETATM 1747 O2A HEM A 305 7.089 -12.493 5.414 1.00 1.00 O HETATM 1748 C1B HEM A 305 -1.182 -10.472 6.168 1.00 1.00 C HETATM 1749 C2B HEM A 305 -2.287 -10.730 7.062 1.00 1.00 C HETATM 1750 C3B HEM A 305 -3.350 -10.049 6.585 1.00 1.00 C HETATM 1751 C4B HEM A 305 -2.914 -9.361 5.392 1.00 1.00 C HETATM 1752 CMB HEM A 305 -2.219 -11.602 8.282 1.00 1.00 C HETATM 1753 CAB HEM A 305 -4.738 -9.987 7.153 1.00 1.00 C HETATM 1754 CBB HEM A 305 -4.862 -9.109 8.395 1.00 1.00 C HETATM 1755 C1C HEM A 305 -3.323 -7.883 3.371 1.00 1.00 C HETATM 1756 C2C HEM A 305 -4.163 -7.171 2.436 1.00 1.00 C HETATM 1757 C3C HEM A 305 -3.344 -6.541 1.568 1.00 1.00 C HETATM 1758 C4C HEM A 305 -1.989 -6.855 1.956 1.00 1.00 C HETATM 1759 CMC HEM A 305 -5.663 -7.163 2.463 1.00 1.00 C HETATM 1760 CAC HEM A 305 -3.724 -5.669 0.406 1.00 1.00 C HETATM 1761 CBC HEM A 305 -5.185 -5.231 0.411 1.00 1.00 C HETATM 1762 C1D HEM A 305 0.440 -6.900 1.476 1.00 1.00 C HETATM 1763 C2D HEM A 305 1.597 -6.482 0.719 1.00 1.00 C HETATM 1764 C3D HEM A 305 2.647 -7.198 1.173 1.00 1.00 C HETATM 1765 C4D HEM A 305 2.151 -8.066 2.214 1.00 1.00 C HETATM 1766 CMD HEM A 305 1.585 -5.440 -0.361 1.00 1.00 C HETATM 1767 CAD HEM A 305 4.075 -7.137 0.713 1.00 1.00 C HETATM 1768 CBD HEM A 305 4.962 -6.231 1.562 1.00 1.00 C HETATM 1769 CGD HEM A 305 5.435 -6.949 2.818 1.00 1.00 C HETATM 1770 O1D HEM A 305 4.931 -6.587 3.902 1.00 1.00 O HETATM 1771 O2D HEM A 305 6.292 -7.847 2.669 1.00 1.00 O HETATM 1772 NA HEM A 305 1.185 -9.781 4.471 1.00 1.00 N HETATM 1773 NB HEM A 305 -1.579 -9.629 5.145 1.00 1.00 N HETATM 1774 NC HEM A 305 -1.988 -7.682 3.067 1.00 1.00 N HETATM 1775 ND HEM A 305 0.792 -7.875 2.392 1.00 1.00 N HETATM 1776 FE HEM A 305 -0.420 -8.757 3.718 1.00 1.00 FE HETATM 0 HMA1 HEM A 305 3.796 -12.691 6.520 1.00 1.00 H new HETATM 0 HMA2 HEM A 305 2.110 -12.748 7.088 1.00 1.00 H new HETATM 0 HMA3 HEM A 305 3.230 -11.533 7.749 1.00 1.00 H new HETATM 0 HMB1 HEM A 305 -2.926 -11.240 9.028 1.00 1.00 H new HETATM 0 HMB2 HEM A 305 -1.210 -11.573 8.694 1.00 1.00 H new HETATM 0 HMB3 HEM A 305 -2.471 -12.627 8.011 1.00 1.00 H new HETATM 0 HMC1 HEM A 305 -6.024 -8.105 2.876 1.00 1.00 H new HETATM 0 HMC2 HEM A 305 -6.045 -7.042 1.449 1.00 1.00 H new HETATM 0 HMC3 HEM A 305 -6.011 -6.337 3.083 1.00 1.00 H new HETATM 0 HMD1 HEM A 305 0.611 -5.434 -0.850 1.00 1.00 H new HETATM 0 HMD2 HEM A 305 2.358 -5.668 -1.095 1.00 1.00 H new HETATM 0 HMD3 HEM A 305 1.777 -4.460 0.076 1.00 1.00 H new HETATM 0 HBB1 HEM A 305 -5.828 -8.995 8.887 1.00 1.00 H new HETATM 0 HBB2 HEM A 305 -3.985 -8.596 8.790 1.00 1.00 H new HETATM 0 HBC1 HEM A 305 -5.566 -4.595 -0.388 1.00 1.00 H new HETATM 0 HBC2 HEM A 305 -5.848 -5.554 1.214 1.00 1.00 H new HETATM 0 HBA1 HEM A 305 4.988 -10.390 6.743 1.00 1.00 H new HETATM 0 HBA2 HEM A 305 6.412 -9.947 5.823 1.00 1.00 H new HETATM 0 HAA1 HEM A 305 5.176 -9.986 3.947 1.00 1.00 H new HETATM 0 HAA2 HEM A 305 4.986 -11.717 4.144 1.00 1.00 H new HETATM 0 HBD1 HEM A 305 4.410 -5.333 1.839 1.00 1.00 H new HETATM 0 HBD2 HEM A 305 5.824 -5.909 0.977 1.00 1.00 H new HETATM 0 HAD1 HEM A 305 4.099 -6.788 -0.319 1.00 1.00 H new HETATM 0 HAD2 HEM A 305 4.491 -8.144 0.719 1.00 1.00 H new HETATM 0 HHA HEM A 305 3.973 -9.096 2.638 1.00 1.00 H new HETATM 0 HHB HEM A 305 0.237 -11.742 7.104 1.00 1.00 H new HETATM 0 HHC HEM A 305 -4.751 -8.383 4.931 1.00 1.00 H new HETATM 0 HHD HEM A 305 -0.959 -5.567 0.601 1.00 1.00 H new HETATM 0 HAB HEM A 305 -5.582 -10.521 6.717 1.00 1.00 H new HETATM 0 HAC HEM A 305 -3.019 -5.375 -0.372 1.00 1.00 H new