USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 772 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 ASN :FLIP amide:sc= -14.2! C(o=-28!,f=-25!) USER MOD Set 1.2: A 87 GLN :FLIP amide:sc= -11! C(o=-28!,f=-25!) USER MOD Set 2.1: A 49 HIS : no HE2:sc= -5.36! C(o=-9.6!,f=-13!) USER MOD Set 2.2: A 51 TYR OH : rot 125:sc= -4.25! USER MOD Set 3.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 30 ASN : amide:sc= -0.248 K(o=-0.25,f=-1.1) USER MOD Single : A 1 SER N :NH3+ -148:sc= 0.314 (180deg=0.0115) USER MOD Single : A 1 SER OG : rot -91:sc= 0.746 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -69:sc= -0.394 USER MOD Single : A 7 SER OG : rot 137:sc= -0.449 USER MOD Single : A 8 HIS : no HD1:sc= -1.12! C(o=-1.1!,f=-5.8!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.488 USER MOD Single : A 24 MET CE :methyl 180:sc= -0.582 (180deg=-0.582) USER MOD Single : A 25 GLN : amide:sc= -0.068 X(o=-0.068,f=-0.041) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -47:sc= 1.07 USER MOD Single : A 44 SER OG : rot 64:sc= -0.134 USER MOD Single : A 47 THR OG1 : rot -142:sc= 0.518 USER MOD Single : A 53 ASN : amide:sc= -1.03 K(o=-1,f=-2!) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0135 USER MOD Single : A 59 LYS NZ :NH3+ 166:sc= -0.609 (180deg=-1.35) USER MOD Single : A 70 MET CE :methyl -158:sc= -0.947 (180deg=-2.72!) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -18:sc= -2.06! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -4.05! C(o=-4.1!,f=-7.7!) USER MOD Single : A 82 SER OG : rot -43:sc= 0.188 USER MOD Single : A 85 CYS SG : rot 180:sc= -2.55 USER MOD Single : A 90 MET CE :methyl -160:sc= -3.8! (180deg=-5.99!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN :FLIP amide:sc= -2.03 F(o=-4.5!,f=-2) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 10.993 -9.038 3.178 1.00 0.00 N ATOM 2 CA SER A 1 9.716 -9.548 2.602 1.00 0.00 C ATOM 3 C SER A 1 9.653 -9.203 1.118 1.00 0.00 C ATOM 4 O SER A 1 10.069 -8.139 0.706 1.00 0.00 O ATOM 5 CB SER A 1 8.536 -8.889 3.320 1.00 0.00 C ATOM 6 OG SER A 1 8.762 -7.488 3.401 1.00 0.00 O ATOM 0 H1 SER A 1 11.306 -9.670 3.942 1.00 0.00 H new ATOM 0 H2 SER A 1 11.720 -9.006 2.435 1.00 0.00 H new ATOM 0 H3 SER A 1 10.845 -8.082 3.559 1.00 0.00 H new ATOM 0 HA SER A 1 9.668 -10.629 2.729 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.609 -9.090 2.782 1.00 0.00 H new ATOM 0 HB3 SER A 1 8.422 -9.309 4.319 1.00 0.00 H new ATOM 0 HG SER A 1 9.227 -7.279 4.238 1.00 0.00 H new ATOM 14 N LYS A 2 9.118 -10.076 0.312 1.00 0.00 N ATOM 15 CA LYS A 2 9.015 -9.773 -1.129 1.00 0.00 C ATOM 16 C LYS A 2 7.773 -8.920 -1.324 1.00 0.00 C ATOM 17 O LYS A 2 6.688 -9.328 -0.977 1.00 0.00 O ATOM 18 CB LYS A 2 8.859 -11.095 -1.905 1.00 0.00 C ATOM 19 CG LYS A 2 10.202 -11.526 -2.522 1.00 0.00 C ATOM 20 CD LYS A 2 10.452 -10.774 -3.835 1.00 0.00 C ATOM 21 CE LYS A 2 11.676 -11.369 -4.531 1.00 0.00 C ATOM 22 NZ LYS A 2 11.967 -10.596 -5.771 1.00 0.00 N ATOM 0 H LYS A 2 8.750 -10.984 0.595 1.00 0.00 H new ATOM 0 HA LYS A 2 9.901 -9.249 -1.488 1.00 0.00 H new ATOM 0 HB2 LYS A 2 8.494 -11.874 -1.236 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.114 -10.975 -2.691 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.012 -11.326 -1.821 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.197 -12.600 -2.706 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.579 -10.849 -4.483 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.611 -9.714 -3.636 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.537 -11.342 -3.863 1.00 0.00 H new ATOM 0 HE3 LYS A 2 11.495 -12.416 -4.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.800 -11.001 -6.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.148 -10.644 -6.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.157 -9.604 -5.525 1.00 0.00 H new ATOM 36 N VAL A 3 7.908 -7.736 -1.836 1.00 0.00 N ATOM 37 CA VAL A 3 6.722 -6.851 -2.010 1.00 0.00 C ATOM 38 C VAL A 3 6.552 -6.546 -3.488 1.00 0.00 C ATOM 39 O VAL A 3 7.443 -6.037 -4.102 1.00 0.00 O ATOM 40 CB VAL A 3 7.008 -5.557 -1.226 1.00 0.00 C ATOM 41 CG1 VAL A 3 6.305 -4.347 -1.844 1.00 0.00 C ATOM 42 CG2 VAL A 3 6.537 -5.731 0.202 1.00 0.00 C ATOM 0 H VAL A 3 8.794 -7.336 -2.145 1.00 0.00 H new ATOM 0 HA VAL A 3 5.809 -7.321 -1.645 1.00 0.00 H new ATOM 0 HB VAL A 3 8.082 -5.372 -1.260 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.534 -3.456 -1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.652 -4.209 -2.868 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.228 -4.513 -1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.736 -4.819 0.764 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.466 -5.936 0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.069 -6.564 0.662 1.00 0.00 H new ATOM 52 N VAL A 4 5.406 -6.828 -4.039 1.00 0.00 N ATOM 53 CA VAL A 4 5.170 -6.523 -5.481 1.00 0.00 C ATOM 54 C VAL A 4 4.162 -5.377 -5.613 1.00 0.00 C ATOM 55 O VAL A 4 3.085 -5.411 -5.087 1.00 0.00 O ATOM 56 CB VAL A 4 4.647 -7.771 -6.187 1.00 0.00 C ATOM 57 CG1 VAL A 4 4.194 -7.425 -7.606 1.00 0.00 C ATOM 58 CG2 VAL A 4 5.758 -8.822 -6.246 1.00 0.00 C ATOM 0 H VAL A 4 4.619 -7.258 -3.553 1.00 0.00 H new ATOM 0 HA VAL A 4 6.108 -6.218 -5.945 1.00 0.00 H new ATOM 0 HB VAL A 4 3.796 -8.165 -5.632 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.823 -8.324 -8.099 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.399 -6.681 -7.563 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.037 -7.024 -8.169 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.388 -9.715 -6.750 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.609 -8.421 -6.797 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.070 -9.079 -5.234 1.00 0.00 H new ATOM 68 N TYR A 5 4.524 -4.393 -6.373 1.00 0.00 N ATOM 69 CA TYR A 5 3.630 -3.235 -6.639 1.00 0.00 C ATOM 70 C TYR A 5 3.100 -3.381 -8.061 1.00 0.00 C ATOM 71 O TYR A 5 3.859 -3.350 -9.009 1.00 0.00 O ATOM 72 CB TYR A 5 4.425 -1.934 -6.540 1.00 0.00 C ATOM 73 CG TYR A 5 4.696 -1.590 -5.091 1.00 0.00 C ATOM 74 CD1 TYR A 5 3.743 -0.889 -4.339 1.00 0.00 C ATOM 75 CD2 TYR A 5 5.913 -1.954 -4.508 1.00 0.00 C ATOM 76 CE1 TYR A 5 4.013 -0.552 -3.008 1.00 0.00 C ATOM 77 CE2 TYR A 5 6.181 -1.610 -3.180 1.00 0.00 C ATOM 78 CZ TYR A 5 5.236 -0.913 -2.426 1.00 0.00 C ATOM 79 OH TYR A 5 5.514 -0.569 -1.117 1.00 0.00 O ATOM 0 H TYR A 5 5.431 -4.338 -6.837 1.00 0.00 H new ATOM 0 HA TYR A 5 2.816 -3.211 -5.914 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.367 -2.034 -7.079 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.871 -1.125 -7.015 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.801 -0.609 -4.787 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.646 -2.501 -5.083 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.278 -0.013 -2.428 1.00 0.00 H new ATOM 0 HE2 TYR A 5 7.126 -1.885 -2.735 1.00 0.00 H new ATOM 0 HH TYR A 5 5.627 0.402 -1.051 1.00 0.00 H new ATOM 89 N VAL A 6 1.809 -3.507 -8.234 1.00 0.00 N ATOM 90 CA VAL A 6 1.242 -3.617 -9.613 1.00 0.00 C ATOM 91 C VAL A 6 0.686 -2.247 -9.983 1.00 0.00 C ATOM 92 O VAL A 6 -0.294 -1.786 -9.443 1.00 0.00 O ATOM 93 CB VAL A 6 0.148 -4.686 -9.662 1.00 0.00 C ATOM 94 CG1 VAL A 6 -0.162 -5.041 -11.118 1.00 0.00 C ATOM 95 CG2 VAL A 6 0.645 -5.936 -8.939 1.00 0.00 C ATOM 0 H VAL A 6 1.123 -3.539 -7.480 1.00 0.00 H new ATOM 0 HA VAL A 6 2.011 -3.918 -10.324 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.754 -4.307 -9.182 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.941 -5.802 -11.149 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.504 -4.150 -11.645 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.738 -5.424 -11.599 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.127 -6.704 -8.968 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.545 -6.307 -9.430 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.873 -5.690 -7.902 1.00 0.00 H new ATOM 105 N SER A 7 1.353 -1.584 -10.872 1.00 0.00 N ATOM 106 CA SER A 7 0.938 -0.218 -11.262 1.00 0.00 C ATOM 107 C SER A 7 -0.286 -0.257 -12.165 1.00 0.00 C ATOM 108 O SER A 7 -0.862 -1.294 -12.429 1.00 0.00 O ATOM 109 CB SER A 7 2.092 0.454 -12.006 1.00 0.00 C ATOM 110 OG SER A 7 2.505 -0.389 -13.076 1.00 0.00 O ATOM 0 H SER A 7 2.181 -1.935 -11.353 1.00 0.00 H new ATOM 0 HA SER A 7 0.684 0.343 -10.363 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.778 1.424 -12.391 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.924 0.635 -11.326 1.00 0.00 H new ATOM 0 HG SER A 7 2.661 0.153 -13.878 1.00 0.00 H new ATOM 116 N HIS A 8 -0.670 0.887 -12.646 1.00 0.00 N ATOM 117 CA HIS A 8 -1.849 0.976 -13.549 1.00 0.00 C ATOM 118 C HIS A 8 -1.400 0.564 -14.956 1.00 0.00 C ATOM 119 O HIS A 8 -2.058 -0.197 -15.629 1.00 0.00 O ATOM 120 CB HIS A 8 -2.413 2.422 -13.565 1.00 0.00 C ATOM 121 CG HIS A 8 -1.392 3.394 -13.038 1.00 0.00 C ATOM 122 ND1 HIS A 8 -0.776 3.221 -11.812 1.00 0.00 N ATOM 123 CD2 HIS A 8 -0.883 4.562 -13.556 1.00 0.00 C ATOM 124 CE1 HIS A 8 0.058 4.260 -11.623 1.00 0.00 C ATOM 125 NE2 HIS A 8 0.031 5.103 -12.654 1.00 0.00 N ATOM 0 H HIS A 8 -0.212 1.777 -12.450 1.00 0.00 H new ATOM 0 HA HIS A 8 -2.641 0.315 -13.197 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.694 2.697 -14.581 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -3.318 2.472 -12.959 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.149 4.992 -14.510 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.673 4.394 -10.745 1.00 0.00 H new ATOM 0 HE2 HIS A 8 0.567 5.964 -12.761 1.00 0.00 H new ATOM 134 N ASP A 9 -0.285 1.075 -15.391 1.00 0.00 N ATOM 135 CA ASP A 9 0.208 0.728 -16.747 1.00 0.00 C ATOM 136 C ASP A 9 0.537 -0.772 -16.824 1.00 0.00 C ATOM 137 O ASP A 9 0.813 -1.295 -17.882 1.00 0.00 O ATOM 138 CB ASP A 9 1.460 1.552 -17.063 1.00 0.00 C ATOM 139 CG ASP A 9 2.486 1.371 -15.941 1.00 0.00 C ATOM 140 OD1 ASP A 9 2.477 0.322 -15.328 1.00 0.00 O ATOM 141 OD2 ASP A 9 3.262 2.287 -15.721 1.00 0.00 O ATOM 0 H ASP A 9 0.306 1.719 -14.865 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.569 0.954 -17.477 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.886 1.235 -18.015 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.199 2.605 -17.165 1.00 0.00 H new ATOM 146 N GLY A 10 0.494 -1.478 -15.709 1.00 0.00 N ATOM 147 CA GLY A 10 0.786 -2.952 -15.733 1.00 0.00 C ATOM 148 C GLY A 10 2.245 -3.236 -15.343 1.00 0.00 C ATOM 149 O GLY A 10 2.620 -4.370 -15.118 1.00 0.00 O ATOM 0 H GLY A 10 0.270 -1.097 -14.790 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.116 -3.469 -15.046 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.589 -3.348 -16.729 1.00 0.00 H new ATOM 153 N THR A 11 3.070 -2.230 -15.275 1.00 0.00 N ATOM 154 CA THR A 11 4.503 -2.452 -14.913 1.00 0.00 C ATOM 155 C THR A 11 4.610 -2.917 -13.451 1.00 0.00 C ATOM 156 O THR A 11 3.999 -2.361 -12.557 1.00 0.00 O ATOM 157 CB THR A 11 5.282 -1.149 -15.186 1.00 0.00 C ATOM 158 OG1 THR A 11 6.442 -1.454 -15.943 1.00 0.00 O ATOM 159 CG2 THR A 11 5.703 -0.434 -13.899 1.00 0.00 C ATOM 0 H THR A 11 2.816 -1.259 -15.455 1.00 0.00 H new ATOM 0 HA THR A 11 4.943 -3.243 -15.521 1.00 0.00 H new ATOM 0 HB THR A 11 4.618 -0.479 -15.732 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.942 -0.630 -16.122 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.248 0.476 -14.150 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.817 -0.178 -13.318 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.345 -1.090 -13.311 1.00 0.00 H new ATOM 167 N ARG A 12 5.356 -3.972 -13.215 1.00 0.00 N ATOM 168 CA ARG A 12 5.481 -4.534 -11.824 1.00 0.00 C ATOM 169 C ARG A 12 6.782 -4.059 -11.145 1.00 0.00 C ATOM 170 O ARG A 12 7.855 -4.193 -11.697 1.00 0.00 O ATOM 171 CB ARG A 12 5.468 -6.093 -11.881 1.00 0.00 C ATOM 172 CG ARG A 12 5.610 -6.622 -13.327 1.00 0.00 C ATOM 173 CD ARG A 12 7.064 -6.434 -13.795 1.00 0.00 C ATOM 174 NE ARG A 12 7.247 -7.062 -15.141 1.00 0.00 N ATOM 175 CZ ARG A 12 7.408 -6.335 -16.227 1.00 0.00 C ATOM 176 NH1 ARG A 12 7.341 -5.030 -16.192 1.00 0.00 N ATOM 177 NH2 ARG A 12 7.628 -6.937 -17.363 1.00 0.00 N ATOM 0 H ARG A 12 5.887 -4.472 -13.928 1.00 0.00 H new ATOM 0 HA ARG A 12 4.634 -4.176 -11.238 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.282 -6.485 -11.270 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.538 -6.464 -11.449 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.335 -7.676 -13.370 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.930 -6.088 -13.991 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.306 -5.372 -13.843 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.748 -6.885 -13.077 1.00 0.00 H new ATOM 0 HE ARG A 12 7.247 -8.079 -15.219 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.160 -4.552 -15.309 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.469 -4.490 -17.048 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.673 -7.955 -17.400 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.755 -6.389 -18.214 1.00 0.00 H new ATOM 191 N ARG A 13 6.695 -3.527 -9.951 1.00 0.00 N ATOM 192 CA ARG A 13 7.910 -3.066 -9.215 1.00 0.00 C ATOM 193 C ARG A 13 8.020 -3.925 -7.945 1.00 0.00 C ATOM 194 O ARG A 13 7.206 -3.801 -7.054 1.00 0.00 O ATOM 195 CB ARG A 13 7.713 -1.584 -8.812 1.00 0.00 C ATOM 196 CG ARG A 13 8.902 -0.697 -9.264 1.00 0.00 C ATOM 197 CD ARG A 13 8.648 -0.040 -10.634 1.00 0.00 C ATOM 198 NE ARG A 13 8.356 1.416 -10.413 1.00 0.00 N ATOM 199 CZ ARG A 13 7.436 2.041 -11.105 1.00 0.00 C ATOM 200 NH1 ARG A 13 6.813 1.439 -12.084 1.00 0.00 N ATOM 201 NH2 ARG A 13 7.161 3.290 -10.835 1.00 0.00 N ATOM 0 H ARG A 13 5.818 -3.391 -9.448 1.00 0.00 H new ATOM 0 HA ARG A 13 8.807 -3.158 -9.828 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.791 -1.207 -9.254 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.599 -1.514 -7.730 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.079 0.078 -8.518 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.807 -1.303 -9.315 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.519 -0.159 -11.279 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.810 -0.523 -11.137 1.00 0.00 H new ATOM 0 HE ARG A 13 8.886 1.930 -9.709 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.042 0.472 -12.316 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.098 1.936 -12.616 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.662 3.773 -10.089 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.446 3.782 -11.370 1.00 0.00 H new ATOM 215 N GLU A 14 8.989 -4.795 -7.859 1.00 0.00 N ATOM 216 CA GLU A 14 9.115 -5.664 -6.642 1.00 0.00 C ATOM 217 C GLU A 14 10.255 -5.157 -5.738 1.00 0.00 C ATOM 218 O GLU A 14 11.369 -4.986 -6.191 1.00 0.00 O ATOM 219 CB GLU A 14 9.415 -7.109 -7.077 1.00 0.00 C ATOM 220 CG GLU A 14 8.659 -7.422 -8.380 1.00 0.00 C ATOM 221 CD GLU A 14 8.580 -8.939 -8.581 1.00 0.00 C ATOM 222 OE1 GLU A 14 9.512 -9.621 -8.189 1.00 0.00 O ATOM 223 OE2 GLU A 14 7.588 -9.389 -9.135 1.00 0.00 O ATOM 0 H GLU A 14 9.700 -4.946 -8.574 1.00 0.00 H new ATOM 0 HA GLU A 14 8.179 -5.630 -6.084 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.487 -7.240 -7.226 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.115 -7.805 -6.294 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.656 -6.998 -8.340 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.167 -6.959 -9.226 1.00 0.00 H new ATOM 230 N LEU A 15 9.997 -4.940 -4.459 1.00 0.00 N ATOM 231 CA LEU A 15 11.086 -4.470 -3.523 1.00 0.00 C ATOM 232 C LEU A 15 11.198 -5.411 -2.336 1.00 0.00 C ATOM 233 O LEU A 15 10.380 -6.272 -2.104 1.00 0.00 O ATOM 234 CB LEU A 15 10.790 -3.068 -2.902 1.00 0.00 C ATOM 235 CG LEU A 15 9.766 -2.293 -3.682 1.00 0.00 C ATOM 236 CD1 LEU A 15 9.472 -0.998 -2.901 1.00 0.00 C ATOM 237 CD2 LEU A 15 10.309 -1.933 -5.074 1.00 0.00 C ATOM 0 H LEU A 15 9.083 -5.068 -4.025 1.00 0.00 H new ATOM 0 HA LEU A 15 11.991 -4.434 -4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.440 -3.195 -1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.715 -2.494 -2.854 1.00 0.00 H new ATOM 0 HG LEU A 15 8.864 -2.891 -3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.730 -0.409 -3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.088 -1.249 -1.912 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.390 -0.419 -2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.554 -1.372 -5.625 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.208 -1.325 -4.968 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.551 -2.846 -5.618 1.00 0.00 H new ATOM 249 N ASP A 16 12.193 -5.157 -1.537 1.00 0.00 N ATOM 250 CA ASP A 16 12.395 -5.912 -0.282 1.00 0.00 C ATOM 251 C ASP A 16 12.077 -4.922 0.840 1.00 0.00 C ATOM 252 O ASP A 16 12.763 -3.932 0.997 1.00 0.00 O ATOM 253 CB ASP A 16 13.853 -6.377 -0.191 1.00 0.00 C ATOM 254 CG ASP A 16 13.987 -7.447 0.892 1.00 0.00 C ATOM 255 OD1 ASP A 16 13.498 -8.546 0.673 1.00 0.00 O ATOM 256 OD2 ASP A 16 14.578 -7.153 1.915 1.00 0.00 O ATOM 0 H ASP A 16 12.892 -4.435 -1.711 1.00 0.00 H new ATOM 0 HA ASP A 16 11.765 -6.800 -0.224 1.00 0.00 H new ATOM 0 HB2 ASP A 16 14.178 -6.776 -1.152 1.00 0.00 H new ATOM 0 HB3 ASP A 16 14.501 -5.531 0.038 1.00 0.00 H new ATOM 261 N VAL A 17 11.062 -5.179 1.623 1.00 0.00 N ATOM 262 CA VAL A 17 10.704 -4.257 2.757 1.00 0.00 C ATOM 263 C VAL A 17 10.971 -4.999 4.075 1.00 0.00 C ATOM 264 O VAL A 17 10.484 -6.089 4.299 1.00 0.00 O ATOM 265 CB VAL A 17 9.217 -3.866 2.607 1.00 0.00 C ATOM 266 CG1 VAL A 17 8.842 -2.672 3.506 1.00 0.00 C ATOM 267 CG2 VAL A 17 9.002 -3.487 1.139 1.00 0.00 C ATOM 0 H VAL A 17 10.456 -5.994 1.529 1.00 0.00 H new ATOM 0 HA VAL A 17 11.300 -3.345 2.749 1.00 0.00 H new ATOM 0 HB VAL A 17 8.587 -4.703 2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.788 -2.430 3.369 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.022 -2.931 4.549 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.450 -1.808 3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.961 -3.202 0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.649 -2.649 0.881 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.243 -4.340 0.504 1.00 0.00 H new ATOM 277 N ALA A 18 11.792 -4.429 4.918 1.00 0.00 N ATOM 278 CA ALA A 18 12.154 -5.110 6.199 1.00 0.00 C ATOM 279 C ALA A 18 10.968 -5.151 7.167 1.00 0.00 C ATOM 280 O ALA A 18 9.985 -4.453 7.010 1.00 0.00 O ATOM 281 CB ALA A 18 13.342 -4.376 6.852 1.00 0.00 C ATOM 0 H ALA A 18 12.229 -3.519 4.775 1.00 0.00 H new ATOM 0 HA ALA A 18 12.434 -6.139 5.973 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.607 -4.872 7.786 1.00 0.00 H new ATOM 0 HB2 ALA A 18 14.197 -4.395 6.176 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.063 -3.342 7.056 1.00 0.00 H new ATOM 287 N ASP A 19 11.076 -5.983 8.167 1.00 0.00 N ATOM 288 CA ASP A 19 9.997 -6.121 9.170 1.00 0.00 C ATOM 289 C ASP A 19 9.752 -4.790 9.865 1.00 0.00 C ATOM 290 O ASP A 19 10.662 -4.068 10.222 1.00 0.00 O ATOM 291 CB ASP A 19 10.413 -7.166 10.205 1.00 0.00 C ATOM 292 CG ASP A 19 11.854 -6.905 10.648 1.00 0.00 C ATOM 293 OD1 ASP A 19 12.036 -6.154 11.591 1.00 0.00 O ATOM 294 OD2 ASP A 19 12.751 -7.459 10.030 1.00 0.00 O ATOM 0 H ASP A 19 11.885 -6.582 8.329 1.00 0.00 H new ATOM 0 HA ASP A 19 9.079 -6.432 8.672 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.745 -7.127 11.065 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.328 -8.166 9.781 1.00 0.00 H new ATOM 299 N GLY A 20 8.513 -4.488 10.074 1.00 0.00 N ATOM 300 CA GLY A 20 8.154 -3.226 10.771 1.00 0.00 C ATOM 301 C GLY A 20 8.255 -2.035 9.817 1.00 0.00 C ATOM 302 O GLY A 20 7.973 -0.919 10.212 1.00 0.00 O ATOM 0 H GLY A 20 7.721 -5.064 9.791 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.140 -3.298 11.165 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.817 -3.074 11.623 1.00 0.00 H new ATOM 306 N VAL A 21 8.651 -2.224 8.581 1.00 0.00 N ATOM 307 CA VAL A 21 8.749 -1.057 7.663 1.00 0.00 C ATOM 308 C VAL A 21 7.413 -0.893 6.945 1.00 0.00 C ATOM 309 O VAL A 21 6.715 -1.858 6.703 1.00 0.00 O ATOM 310 CB VAL A 21 9.821 -1.319 6.603 1.00 0.00 C ATOM 311 CG1 VAL A 21 9.944 -0.112 5.686 1.00 0.00 C ATOM 312 CG2 VAL A 21 11.176 -1.604 7.244 1.00 0.00 C ATOM 0 H VAL A 21 8.906 -3.125 8.177 1.00 0.00 H new ATOM 0 HA VAL A 21 9.002 -0.166 8.237 1.00 0.00 H new ATOM 0 HB VAL A 21 9.519 -2.195 6.029 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.709 -0.304 4.933 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.988 0.070 5.195 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.223 0.763 6.272 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.916 -1.786 6.465 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.483 -0.746 7.843 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.098 -2.484 7.883 1.00 0.00 H new ATOM 322 N SER A 22 7.043 0.311 6.605 1.00 0.00 N ATOM 323 CA SER A 22 5.742 0.516 5.906 1.00 0.00 C ATOM 324 C SER A 22 5.978 0.516 4.395 1.00 0.00 C ATOM 325 O SER A 22 6.979 1.008 3.909 1.00 0.00 O ATOM 326 CB SER A 22 5.132 1.848 6.357 1.00 0.00 C ATOM 327 OG SER A 22 6.178 2.776 6.619 1.00 0.00 O ATOM 0 H SER A 22 7.582 1.159 6.780 1.00 0.00 H new ATOM 0 HA SER A 22 5.050 -0.289 6.154 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.469 2.238 5.585 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.528 1.701 7.252 1.00 0.00 H new ATOM 0 HG SER A 22 5.793 3.630 6.906 1.00 0.00 H new ATOM 333 N LEU A 23 5.067 -0.042 3.643 1.00 0.00 N ATOM 334 CA LEU A 23 5.237 -0.085 2.164 1.00 0.00 C ATOM 335 C LEU A 23 5.572 1.314 1.644 1.00 0.00 C ATOM 336 O LEU A 23 6.000 1.482 0.513 1.00 0.00 O ATOM 337 CB LEU A 23 3.936 -0.581 1.520 1.00 0.00 C ATOM 338 CG LEU A 23 3.788 -2.103 1.700 1.00 0.00 C ATOM 339 CD1 LEU A 23 2.328 -2.496 1.470 1.00 0.00 C ATOM 340 CD2 LEU A 23 4.650 -2.859 0.673 1.00 0.00 C ATOM 0 H LEU A 23 4.210 -0.471 3.992 1.00 0.00 H new ATOM 0 HA LEU A 23 6.051 -0.764 1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.084 -0.072 1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.932 -0.333 0.459 1.00 0.00 H new ATOM 0 HG LEU A 23 4.110 -2.362 2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.217 -3.573 1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.694 -1.979 2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.031 -2.217 0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.531 -3.933 0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.333 -2.591 -0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.697 -2.589 0.808 1.00 0.00 H new ATOM 352 N MET A 24 5.389 2.321 2.451 1.00 0.00 N ATOM 353 CA MET A 24 5.708 3.705 1.998 1.00 0.00 C ATOM 354 C MET A 24 7.207 3.955 2.181 1.00 0.00 C ATOM 355 O MET A 24 7.850 4.593 1.375 1.00 0.00 O ATOM 356 CB MET A 24 4.907 4.714 2.838 1.00 0.00 C ATOM 357 CG MET A 24 5.536 4.858 4.229 1.00 0.00 C ATOM 358 SD MET A 24 4.348 5.613 5.372 1.00 0.00 S ATOM 359 CE MET A 24 5.464 6.805 6.150 1.00 0.00 C ATOM 0 H MET A 24 5.033 2.247 3.404 1.00 0.00 H new ATOM 0 HA MET A 24 5.443 3.823 0.947 1.00 0.00 H new ATOM 0 HB2 MET A 24 4.888 5.682 2.337 1.00 0.00 H new ATOM 0 HB3 MET A 24 3.873 4.382 2.930 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.841 3.880 4.602 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.435 5.471 4.169 1.00 0.00 H new ATOM 0 HE1 MET A 24 4.918 7.380 6.898 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.286 6.274 6.630 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.861 7.480 5.392 1.00 0.00 H new ATOM 369 N GLN A 25 7.756 3.461 3.258 1.00 0.00 N ATOM 370 CA GLN A 25 9.204 3.670 3.527 1.00 0.00 C ATOM 371 C GLN A 25 10.024 3.057 2.385 1.00 0.00 C ATOM 372 O GLN A 25 10.812 3.734 1.759 1.00 0.00 O ATOM 373 CB GLN A 25 9.574 3.010 4.875 1.00 0.00 C ATOM 374 CG GLN A 25 9.719 4.072 5.975 1.00 0.00 C ATOM 375 CD GLN A 25 11.048 4.809 5.800 1.00 0.00 C ATOM 376 OE1 GLN A 25 11.068 5.994 5.532 1.00 0.00 O ATOM 377 NE2 GLN A 25 12.168 4.152 5.934 1.00 0.00 N ATOM 0 H GLN A 25 7.259 2.919 3.965 1.00 0.00 H new ATOM 0 HA GLN A 25 9.424 4.736 3.586 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.806 2.290 5.156 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.507 2.456 4.771 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.890 4.778 5.925 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.678 3.601 6.957 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.152 3.157 6.159 1.00 0.00 H new ATOM 0 HE22 GLN A 25 13.059 4.633 5.814 1.00 0.00 H new ATOM 386 N ALA A 26 9.863 1.789 2.109 1.00 0.00 N ATOM 387 CA ALA A 26 10.667 1.181 1.006 1.00 0.00 C ATOM 388 C ALA A 26 10.324 1.825 -0.333 1.00 0.00 C ATOM 389 O ALA A 26 11.150 1.876 -1.227 1.00 0.00 O ATOM 390 CB ALA A 26 10.380 -0.316 0.938 1.00 0.00 C ATOM 0 H ALA A 26 9.222 1.157 2.589 1.00 0.00 H new ATOM 0 HA ALA A 26 11.724 1.350 1.211 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.965 -0.763 0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.651 -0.782 1.886 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.319 -0.475 0.746 1.00 0.00 H new ATOM 396 N ALA A 27 9.128 2.321 -0.510 1.00 0.00 N ATOM 397 CA ALA A 27 8.774 2.953 -1.816 1.00 0.00 C ATOM 398 C ALA A 27 9.619 4.217 -2.039 1.00 0.00 C ATOM 399 O ALA A 27 10.250 4.378 -3.061 1.00 0.00 O ATOM 400 CB ALA A 27 7.295 3.334 -1.799 1.00 0.00 C ATOM 0 H ALA A 27 8.385 2.316 0.188 1.00 0.00 H new ATOM 0 HA ALA A 27 8.972 2.247 -2.622 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.027 3.796 -2.749 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.691 2.440 -1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.110 4.038 -0.988 1.00 0.00 H new ATOM 406 N VAL A 28 9.627 5.118 -1.090 1.00 0.00 N ATOM 407 CA VAL A 28 10.415 6.381 -1.246 1.00 0.00 C ATOM 408 C VAL A 28 11.875 6.056 -1.586 1.00 0.00 C ATOM 409 O VAL A 28 12.606 6.893 -2.079 1.00 0.00 O ATOM 410 CB VAL A 28 10.365 7.165 0.074 1.00 0.00 C ATOM 411 CG1 VAL A 28 11.426 8.273 0.086 1.00 0.00 C ATOM 412 CG2 VAL A 28 8.981 7.797 0.246 1.00 0.00 C ATOM 0 H VAL A 28 9.120 5.034 -0.209 1.00 0.00 H new ATOM 0 HA VAL A 28 9.987 6.975 -2.054 1.00 0.00 H new ATOM 0 HB VAL A 28 10.564 6.473 0.893 1.00 0.00 H new ATOM 0 HG11 VAL A 28 11.374 8.816 1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.416 7.830 -0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.243 8.961 -0.739 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.949 8.352 1.183 1.00 0.00 H new ATOM 0 HG22 VAL A 28 8.785 8.475 -0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.223 7.014 0.262 1.00 0.00 H new ATOM 422 N SER A 29 12.319 4.870 -1.286 1.00 0.00 N ATOM 423 CA SER A 29 13.749 4.505 -1.538 1.00 0.00 C ATOM 424 C SER A 29 13.909 3.812 -2.885 1.00 0.00 C ATOM 425 O SER A 29 14.981 3.803 -3.458 1.00 0.00 O ATOM 426 CB SER A 29 14.184 3.548 -0.427 1.00 0.00 C ATOM 427 OG SER A 29 14.655 2.321 -0.973 1.00 0.00 O ATOM 0 H SER A 29 11.753 4.129 -0.874 1.00 0.00 H new ATOM 0 HA SER A 29 14.359 5.408 -1.549 1.00 0.00 H new ATOM 0 HB2 SER A 29 14.969 4.011 0.171 1.00 0.00 H new ATOM 0 HB3 SER A 29 13.346 3.355 0.242 1.00 0.00 H new ATOM 0 HG SER A 29 14.930 1.724 -0.246 1.00 0.00 H new ATOM 433 N ASN A 30 12.861 3.232 -3.408 1.00 0.00 N ATOM 434 CA ASN A 30 12.964 2.547 -4.714 1.00 0.00 C ATOM 435 C ASN A 30 12.399 3.458 -5.803 1.00 0.00 C ATOM 436 O ASN A 30 12.200 3.038 -6.928 1.00 0.00 O ATOM 437 CB ASN A 30 12.159 1.256 -4.654 1.00 0.00 C ATOM 438 CG ASN A 30 12.932 0.208 -3.850 1.00 0.00 C ATOM 439 OD1 ASN A 30 13.433 -0.752 -4.404 1.00 0.00 O ATOM 440 ND2 ASN A 30 13.049 0.355 -2.559 1.00 0.00 N ATOM 0 H ASN A 30 11.936 3.207 -2.978 1.00 0.00 H new ATOM 0 HA ASN A 30 14.006 2.319 -4.940 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.189 1.441 -4.192 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.967 0.888 -5.662 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.562 -0.336 -2.011 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.628 1.161 -2.097 1.00 0.00 H new ATOM 447 N GLY A 31 12.190 4.717 -5.506 1.00 0.00 N ATOM 448 CA GLY A 31 11.700 5.650 -6.573 1.00 0.00 C ATOM 449 C GLY A 31 10.243 5.345 -6.944 1.00 0.00 C ATOM 450 O GLY A 31 9.847 5.491 -8.084 1.00 0.00 O ATOM 0 H GLY A 31 12.334 5.136 -4.587 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.783 6.680 -6.226 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.331 5.560 -7.457 1.00 0.00 H new ATOM 454 N ILE A 32 9.457 4.886 -6.001 1.00 0.00 N ATOM 455 CA ILE A 32 8.033 4.519 -6.307 1.00 0.00 C ATOM 456 C ILE A 32 7.057 5.426 -5.587 1.00 0.00 C ATOM 457 O ILE A 32 5.927 5.588 -6.002 1.00 0.00 O ATOM 458 CB ILE A 32 7.846 3.071 -5.867 1.00 0.00 C ATOM 459 CG1 ILE A 32 8.778 2.201 -6.718 1.00 0.00 C ATOM 460 CG2 ILE A 32 6.392 2.618 -6.062 1.00 0.00 C ATOM 461 CD1 ILE A 32 8.993 0.844 -6.058 1.00 0.00 C ATOM 0 H ILE A 32 9.738 4.748 -5.030 1.00 0.00 H new ATOM 0 HA ILE A 32 7.834 4.636 -7.372 1.00 0.00 H new ATOM 0 HB ILE A 32 8.082 2.976 -4.807 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.351 2.065 -7.712 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.736 2.704 -6.849 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.287 1.582 -5.740 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.731 3.251 -5.469 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.124 2.700 -7.115 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.657 0.240 -6.676 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.441 0.985 -5.074 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.035 0.336 -5.951 1.00 0.00 H new ATOM 473 N TYR A 33 7.447 5.973 -4.487 1.00 0.00 N ATOM 474 CA TYR A 33 6.498 6.815 -3.717 1.00 0.00 C ATOM 475 C TYR A 33 6.236 8.174 -4.380 1.00 0.00 C ATOM 476 O TYR A 33 5.574 8.987 -3.779 1.00 0.00 O ATOM 477 CB TYR A 33 7.040 7.007 -2.295 1.00 0.00 C ATOM 478 CG TYR A 33 5.895 7.051 -1.301 1.00 0.00 C ATOM 479 CD1 TYR A 33 5.056 5.939 -1.172 1.00 0.00 C ATOM 480 CD2 TYR A 33 5.670 8.198 -0.531 1.00 0.00 C ATOM 481 CE1 TYR A 33 3.992 5.971 -0.259 1.00 0.00 C ATOM 482 CE2 TYR A 33 4.606 8.229 0.374 1.00 0.00 C ATOM 483 CZ TYR A 33 3.768 7.116 0.510 1.00 0.00 C ATOM 484 OH TYR A 33 2.720 7.145 1.405 1.00 0.00 O ATOM 0 H TYR A 33 8.378 5.878 -4.082 1.00 0.00 H new ATOM 0 HA TYR A 33 5.539 6.298 -3.689 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.719 6.192 -2.043 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.616 7.931 -2.239 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.227 5.059 -1.774 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.317 9.056 -0.636 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.347 5.112 -0.150 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.430 9.113 0.969 1.00 0.00 H new ATOM 0 HH TYR A 33 2.703 8.012 1.861 1.00 0.00 H new ATOM 494 N ASP A 34 6.781 8.462 -5.542 1.00 0.00 N ATOM 495 CA ASP A 34 6.565 9.812 -6.195 1.00 0.00 C ATOM 496 C ASP A 34 5.067 10.197 -6.237 1.00 0.00 C ATOM 497 O ASP A 34 4.550 10.660 -7.239 1.00 0.00 O ATOM 498 CB ASP A 34 7.122 9.767 -7.618 1.00 0.00 C ATOM 499 CG ASP A 34 6.653 8.485 -8.305 1.00 0.00 C ATOM 500 OD1 ASP A 34 7.053 7.420 -7.872 1.00 0.00 O ATOM 501 OD2 ASP A 34 5.904 8.591 -9.268 1.00 0.00 O ATOM 0 H ASP A 34 7.370 7.821 -6.074 1.00 0.00 H new ATOM 0 HA ASP A 34 7.083 10.566 -5.603 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.785 10.638 -8.180 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.211 9.803 -7.596 1.00 0.00 H new ATOM 506 N ILE A 35 4.401 10.003 -5.146 1.00 0.00 N ATOM 507 CA ILE A 35 2.953 10.333 -5.030 1.00 0.00 C ATOM 508 C ILE A 35 2.811 11.670 -4.295 1.00 0.00 C ATOM 509 O ILE A 35 3.731 12.132 -3.651 1.00 0.00 O ATOM 510 CB ILE A 35 2.235 9.202 -4.275 1.00 0.00 C ATOM 511 CG1 ILE A 35 0.725 9.297 -4.512 1.00 0.00 C ATOM 512 CG2 ILE A 35 2.526 9.297 -2.775 1.00 0.00 C ATOM 513 CD1 ILE A 35 0.052 8.015 -4.018 1.00 0.00 C ATOM 0 H ILE A 35 4.810 9.616 -4.296 1.00 0.00 H new ATOM 0 HA ILE A 35 2.498 10.426 -6.016 1.00 0.00 H new ATOM 0 HB ILE A 35 2.601 8.245 -4.647 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.317 10.161 -3.987 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.521 9.443 -5.573 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.011 8.490 -2.253 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.600 9.212 -2.607 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.174 10.257 -2.396 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.023 8.081 -4.186 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.453 7.160 -4.563 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.246 7.889 -2.953 1.00 0.00 H new ATOM 525 N VAL A 36 1.675 12.305 -4.402 1.00 0.00 N ATOM 526 CA VAL A 36 1.481 13.622 -3.725 1.00 0.00 C ATOM 527 C VAL A 36 2.039 13.583 -2.304 1.00 0.00 C ATOM 528 O VAL A 36 2.646 14.530 -1.837 1.00 0.00 O ATOM 529 CB VAL A 36 -0.011 13.955 -3.688 1.00 0.00 C ATOM 530 CG1 VAL A 36 -0.208 15.336 -3.059 1.00 0.00 C ATOM 531 CG2 VAL A 36 -0.572 13.957 -5.105 1.00 0.00 C ATOM 0 H VAL A 36 0.870 11.968 -4.930 1.00 0.00 H new ATOM 0 HA VAL A 36 2.016 14.390 -4.283 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.534 13.205 -3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.271 15.575 -3.032 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.189 15.334 -2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.317 16.084 -3.653 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.635 14.195 -5.075 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.050 14.705 -5.702 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.433 12.973 -5.553 1.00 0.00 H new ATOM 541 N GLY A 37 1.840 12.504 -1.593 1.00 0.00 N ATOM 542 CA GLY A 37 2.362 12.419 -0.197 1.00 0.00 C ATOM 543 C GLY A 37 1.719 13.519 0.643 1.00 0.00 C ATOM 544 O GLY A 37 2.375 14.444 1.077 1.00 0.00 O ATOM 0 H GLY A 37 1.338 11.678 -1.919 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.139 11.441 0.229 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.447 12.528 -0.193 1.00 0.00 H new ATOM 548 N ASP A 38 0.437 13.433 0.868 1.00 0.00 N ATOM 549 CA ASP A 38 -0.257 14.476 1.669 1.00 0.00 C ATOM 550 C ASP A 38 0.192 14.409 3.140 1.00 0.00 C ATOM 551 O ASP A 38 0.898 15.276 3.614 1.00 0.00 O ATOM 552 CB ASP A 38 -1.772 14.256 1.592 1.00 0.00 C ATOM 553 CG ASP A 38 -2.288 14.745 0.229 1.00 0.00 C ATOM 554 OD1 ASP A 38 -1.856 14.206 -0.765 1.00 0.00 O ATOM 555 OD2 ASP A 38 -3.104 15.652 0.228 1.00 0.00 O ATOM 0 H ASP A 38 -0.162 12.680 0.529 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.003 15.456 1.265 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.005 13.199 1.724 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.271 14.795 2.397 1.00 0.00 H new ATOM 560 N CYS A 39 -0.222 13.401 3.868 1.00 0.00 N ATOM 561 CA CYS A 39 0.178 13.314 5.303 1.00 0.00 C ATOM 562 C CYS A 39 1.600 12.763 5.422 1.00 0.00 C ATOM 563 O CYS A 39 2.102 12.554 6.511 1.00 0.00 O ATOM 564 CB CYS A 39 -0.802 12.419 6.074 1.00 0.00 C ATOM 565 SG CYS A 39 -0.440 10.664 5.785 1.00 0.00 S ATOM 0 H CYS A 39 -0.815 12.642 3.533 1.00 0.00 H new ATOM 0 HA CYS A 39 0.152 14.315 5.734 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.738 12.637 7.140 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.823 12.640 5.764 1.00 0.00 H new ATOM 570 N GLY A 40 2.260 12.537 4.322 1.00 0.00 N ATOM 571 CA GLY A 40 3.656 12.015 4.392 1.00 0.00 C ATOM 572 C GLY A 40 3.644 10.554 4.839 1.00 0.00 C ATOM 573 O GLY A 40 4.675 9.915 4.915 1.00 0.00 O ATOM 0 H GLY A 40 1.897 12.690 3.381 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.135 12.102 3.417 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.242 12.613 5.090 1.00 0.00 H new ATOM 577 N GLY A 41 2.485 10.018 5.129 1.00 0.00 N ATOM 578 CA GLY A 41 2.394 8.588 5.576 1.00 0.00 C ATOM 579 C GLY A 41 2.114 8.515 7.073 1.00 0.00 C ATOM 580 O GLY A 41 2.454 7.551 7.730 1.00 0.00 O ATOM 0 H GLY A 41 1.592 10.509 5.076 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.603 8.078 5.026 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.325 8.069 5.348 1.00 0.00 H new ATOM 584 N SER A 42 1.486 9.521 7.625 1.00 0.00 N ATOM 585 CA SER A 42 1.170 9.505 9.091 1.00 0.00 C ATOM 586 C SER A 42 -0.281 9.062 9.284 1.00 0.00 C ATOM 587 O SER A 42 -0.901 9.343 10.286 1.00 0.00 O ATOM 588 CB SER A 42 1.355 10.911 9.667 1.00 0.00 C ATOM 589 OG SER A 42 1.082 10.886 11.064 1.00 0.00 O ATOM 0 H SER A 42 1.177 10.355 7.126 1.00 0.00 H new ATOM 0 HA SER A 42 1.838 8.813 9.605 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.373 11.258 9.490 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.687 11.612 9.167 1.00 0.00 H new ATOM 0 HG SER A 42 0.247 10.399 11.225 1.00 0.00 H new ATOM 595 N ALA A 43 -0.827 8.373 8.314 1.00 0.00 N ATOM 596 CA ALA A 43 -2.239 7.906 8.431 1.00 0.00 C ATOM 597 C ALA A 43 -3.155 9.104 8.683 1.00 0.00 C ATOM 598 O ALA A 43 -3.807 9.192 9.702 1.00 0.00 O ATOM 599 CB ALA A 43 -2.358 6.920 9.596 1.00 0.00 C ATOM 0 H ALA A 43 -0.355 8.115 7.447 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.534 7.412 7.505 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.390 6.580 9.681 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.707 6.064 9.416 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.062 7.413 10.522 1.00 0.00 H new ATOM 605 N SER A 44 -3.211 10.029 7.757 1.00 0.00 N ATOM 606 CA SER A 44 -4.089 11.224 7.947 1.00 0.00 C ATOM 607 C SER A 44 -4.631 11.673 6.581 1.00 0.00 C ATOM 608 O SER A 44 -5.074 12.793 6.422 1.00 0.00 O ATOM 609 CB SER A 44 -3.271 12.358 8.590 1.00 0.00 C ATOM 610 OG SER A 44 -3.003 13.371 7.632 1.00 0.00 O ATOM 0 H SER A 44 -2.689 10.008 6.881 1.00 0.00 H new ATOM 0 HA SER A 44 -4.925 10.973 8.600 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.819 12.780 9.433 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.335 11.963 8.984 1.00 0.00 H new ATOM 0 HG SER A 44 -3.845 13.783 7.347 1.00 0.00 H new ATOM 616 N CYS A 45 -4.603 10.808 5.602 1.00 0.00 N ATOM 617 CA CYS A 45 -5.122 11.192 4.253 1.00 0.00 C ATOM 618 C CYS A 45 -5.516 9.935 3.469 1.00 0.00 C ATOM 619 O CYS A 45 -5.566 8.846 4.012 1.00 0.00 O ATOM 620 CB CYS A 45 -4.043 11.977 3.492 1.00 0.00 C ATOM 621 SG CYS A 45 -2.861 10.847 2.694 1.00 0.00 S ATOM 0 H CYS A 45 -4.245 9.856 5.676 1.00 0.00 H new ATOM 0 HA CYS A 45 -6.004 11.822 4.370 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.512 12.611 2.739 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.514 12.637 4.180 1.00 0.00 H new ATOM 626 N ALA A 46 -5.793 10.089 2.203 1.00 0.00 N ATOM 627 CA ALA A 46 -6.186 8.926 1.348 1.00 0.00 C ATOM 628 C ALA A 46 -5.240 8.866 0.143 1.00 0.00 C ATOM 629 O ALA A 46 -5.433 8.102 -0.773 1.00 0.00 O ATOM 630 CB ALA A 46 -7.630 9.131 0.868 1.00 0.00 C ATOM 0 H ALA A 46 -5.764 10.984 1.715 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.121 7.995 1.911 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.929 8.289 0.243 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.294 9.197 1.730 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.694 10.053 0.290 1.00 0.00 H new ATOM 636 N THR A 47 -4.224 9.681 0.156 1.00 0.00 N ATOM 637 CA THR A 47 -3.253 9.705 -0.972 1.00 0.00 C ATOM 638 C THR A 47 -2.698 8.301 -1.229 1.00 0.00 C ATOM 639 O THR A 47 -2.424 7.933 -2.353 1.00 0.00 O ATOM 640 CB THR A 47 -2.105 10.649 -0.601 1.00 0.00 C ATOM 641 OG1 THR A 47 -2.605 11.973 -0.483 1.00 0.00 O ATOM 642 CG2 THR A 47 -1.035 10.605 -1.692 1.00 0.00 C ATOM 0 H THR A 47 -4.023 10.339 0.909 1.00 0.00 H new ATOM 0 HA THR A 47 -3.753 10.050 -1.877 1.00 0.00 H new ATOM 0 HB THR A 47 -1.668 10.337 0.348 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.949 12.604 -0.847 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.218 11.277 -1.428 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.653 9.589 -1.786 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.470 10.918 -2.641 1.00 0.00 H new ATOM 650 N CYS A 48 -2.515 7.523 -0.208 1.00 0.00 N ATOM 651 CA CYS A 48 -1.957 6.149 -0.388 1.00 0.00 C ATOM 652 C CYS A 48 -3.075 5.154 -0.748 1.00 0.00 C ATOM 653 O CYS A 48 -3.080 4.024 -0.302 1.00 0.00 O ATOM 654 CB CYS A 48 -1.265 5.724 0.903 1.00 0.00 C ATOM 655 SG CYS A 48 -2.396 5.962 2.291 1.00 0.00 S ATOM 0 H CYS A 48 -2.728 7.777 0.757 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.236 6.155 -1.206 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.963 4.679 0.840 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.358 6.310 1.053 1.00 0.00 H new ATOM 660 N HIS A 49 -4.022 5.576 -1.537 1.00 0.00 N ATOM 661 CA HIS A 49 -5.154 4.678 -1.951 1.00 0.00 C ATOM 662 C HIS A 49 -4.614 3.535 -2.832 1.00 0.00 C ATOM 663 O HIS A 49 -4.265 3.750 -3.976 1.00 0.00 O ATOM 664 CB HIS A 49 -6.127 5.544 -2.772 1.00 0.00 C ATOM 665 CG HIS A 49 -7.185 4.731 -3.494 1.00 0.00 C ATOM 666 ND1 HIS A 49 -8.039 3.825 -2.872 1.00 0.00 N ATOM 667 CD2 HIS A 49 -7.551 4.719 -4.813 1.00 0.00 C ATOM 668 CE1 HIS A 49 -8.861 3.315 -3.827 1.00 0.00 C ATOM 669 NE2 HIS A 49 -8.595 3.831 -5.014 1.00 0.00 N ATOM 0 H HIS A 49 -4.067 6.519 -1.923 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.647 4.241 -1.083 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.616 6.258 -2.109 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.561 6.123 -3.502 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -8.047 3.587 -1.880 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.091 5.317 -5.586 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -9.632 2.582 -3.640 1.00 0.00 H new ATOM 678 N VAL A 50 -4.570 2.316 -2.328 1.00 0.00 N ATOM 679 CA VAL A 50 -4.075 1.172 -3.166 1.00 0.00 C ATOM 680 C VAL A 50 -4.895 -0.075 -2.840 1.00 0.00 C ATOM 681 O VAL A 50 -5.734 -0.057 -1.958 1.00 0.00 O ATOM 682 CB VAL A 50 -2.567 0.898 -2.935 1.00 0.00 C ATOM 683 CG1 VAL A 50 -1.813 2.210 -2.708 1.00 0.00 C ATOM 684 CG2 VAL A 50 -2.362 -0.031 -1.728 1.00 0.00 C ATOM 0 H VAL A 50 -4.854 2.068 -1.380 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.197 1.436 -4.216 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.173 0.410 -3.826 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.756 1.999 -2.547 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.926 2.851 -3.582 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.219 2.716 -1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.297 -0.210 -1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.776 0.437 -0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.868 -0.979 -1.909 1.00 0.00 H new ATOM 694 N TYR A 51 -4.669 -1.154 -3.548 1.00 0.00 N ATOM 695 CA TYR A 51 -5.431 -2.406 -3.301 1.00 0.00 C ATOM 696 C TYR A 51 -4.457 -3.542 -2.936 1.00 0.00 C ATOM 697 O TYR A 51 -3.640 -3.976 -3.718 1.00 0.00 O ATOM 698 CB TYR A 51 -6.189 -2.727 -4.586 1.00 0.00 C ATOM 699 CG TYR A 51 -7.157 -1.595 -4.886 1.00 0.00 C ATOM 700 CD1 TYR A 51 -8.169 -1.238 -3.970 1.00 0.00 C ATOM 701 CD2 TYR A 51 -7.007 -0.854 -6.072 1.00 0.00 C ATOM 702 CE1 TYR A 51 -9.008 -0.152 -4.252 1.00 0.00 C ATOM 703 CE2 TYR A 51 -7.857 0.207 -6.340 1.00 0.00 C ATOM 704 CZ TYR A 51 -8.847 0.563 -5.438 1.00 0.00 C ATOM 705 OH TYR A 51 -9.645 1.640 -5.725 1.00 0.00 O ATOM 0 H TYR A 51 -3.978 -1.216 -4.296 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.129 -2.292 -2.471 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.491 -2.854 -5.413 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.731 -3.667 -4.479 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.296 -1.799 -3.056 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.228 -1.112 -6.775 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -9.779 0.131 -3.551 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.747 0.762 -7.260 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.085 2.422 -5.911 1.00 0.00 H new ATOM 715 N VAL A 52 -4.581 -4.014 -1.728 1.00 0.00 N ATOM 716 CA VAL A 52 -3.713 -5.128 -1.233 1.00 0.00 C ATOM 717 C VAL A 52 -4.371 -6.455 -1.598 1.00 0.00 C ATOM 718 O VAL A 52 -5.550 -6.653 -1.380 1.00 0.00 O ATOM 719 CB VAL A 52 -3.546 -5.064 0.285 1.00 0.00 C ATOM 720 CG1 VAL A 52 -2.831 -6.333 0.787 1.00 0.00 C ATOM 721 CG2 VAL A 52 -2.721 -3.826 0.684 1.00 0.00 C ATOM 0 H VAL A 52 -5.259 -3.671 -1.047 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.730 -5.037 -1.694 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.535 -4.995 0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.715 -6.281 1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.423 -7.211 0.527 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.849 -6.406 0.320 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.612 -3.796 1.768 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.736 -3.881 0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.231 -2.924 0.345 1.00 0.00 H new ATOM 731 N ASN A 53 -3.625 -7.377 -2.142 1.00 0.00 N ATOM 732 CA ASN A 53 -4.232 -8.690 -2.490 1.00 0.00 C ATOM 733 C ASN A 53 -4.992 -9.209 -1.259 1.00 0.00 C ATOM 734 O ASN A 53 -4.431 -9.347 -0.194 1.00 0.00 O ATOM 735 CB ASN A 53 -3.113 -9.679 -2.903 1.00 0.00 C ATOM 736 CG ASN A 53 -3.269 -10.096 -4.376 1.00 0.00 C ATOM 737 OD1 ASN A 53 -3.782 -9.345 -5.184 1.00 0.00 O ATOM 738 ND2 ASN A 53 -2.840 -11.267 -4.753 1.00 0.00 N ATOM 0 H ASN A 53 -2.633 -7.279 -2.358 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.924 -8.588 -3.326 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -2.138 -9.215 -2.753 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.148 -10.562 -2.265 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.934 -11.555 -5.727 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -2.410 -11.895 -4.074 1.00 0.00 H new ATOM 745 N GLU A 54 -6.269 -9.449 -1.389 1.00 0.00 N ATOM 746 CA GLU A 54 -7.087 -9.922 -0.231 1.00 0.00 C ATOM 747 C GLU A 54 -6.388 -11.068 0.514 1.00 0.00 C ATOM 748 O GLU A 54 -6.876 -11.534 1.528 1.00 0.00 O ATOM 749 CB GLU A 54 -8.443 -10.416 -0.739 1.00 0.00 C ATOM 750 CG GLU A 54 -8.233 -11.449 -1.846 1.00 0.00 C ATOM 751 CD GLU A 54 -9.573 -12.100 -2.200 1.00 0.00 C ATOM 752 OE1 GLU A 54 -10.092 -12.823 -1.362 1.00 0.00 O ATOM 753 OE2 GLU A 54 -10.057 -11.862 -3.290 1.00 0.00 O ATOM 0 H GLU A 54 -6.788 -9.336 -2.260 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.216 -9.087 0.458 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.010 -10.857 0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.028 -9.578 -1.117 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.805 -10.971 -2.727 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.523 -12.209 -1.519 1.00 0.00 H new ATOM 760 N ALA A 55 -5.271 -11.544 0.029 1.00 0.00 N ATOM 761 CA ALA A 55 -4.582 -12.675 0.722 1.00 0.00 C ATOM 762 C ALA A 55 -3.652 -12.179 1.838 1.00 0.00 C ATOM 763 O ALA A 55 -3.224 -12.959 2.667 1.00 0.00 O ATOM 764 CB ALA A 55 -3.757 -13.456 -0.294 1.00 0.00 C ATOM 0 H ALA A 55 -4.807 -11.201 -0.812 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.347 -13.308 1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.252 -14.283 0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.413 -13.848 -1.071 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.015 -12.797 -0.744 1.00 0.00 H new ATOM 770 N PHE A 56 -3.311 -10.910 1.881 1.00 0.00 N ATOM 771 CA PHE A 56 -2.392 -10.390 2.945 1.00 0.00 C ATOM 772 C PHE A 56 -3.165 -9.402 3.825 1.00 0.00 C ATOM 773 O PHE A 56 -2.679 -8.932 4.830 1.00 0.00 O ATOM 774 CB PHE A 56 -1.230 -9.674 2.239 1.00 0.00 C ATOM 775 CG PHE A 56 -0.450 -10.692 1.425 1.00 0.00 C ATOM 776 CD1 PHE A 56 -0.993 -11.229 0.256 1.00 0.00 C ATOM 777 CD2 PHE A 56 0.801 -11.122 1.870 1.00 0.00 C ATOM 778 CE1 PHE A 56 -0.282 -12.197 -0.464 1.00 0.00 C ATOM 779 CE2 PHE A 56 1.514 -12.080 1.156 1.00 0.00 C ATOM 780 CZ PHE A 56 0.972 -12.625 -0.011 1.00 0.00 C ATOM 0 H PHE A 56 -3.634 -10.206 1.217 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.011 -11.196 3.573 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.611 -8.885 1.591 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.579 -9.198 2.972 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.960 -10.898 -0.092 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.219 -10.708 2.776 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.701 -12.613 -1.368 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.485 -12.402 1.503 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.519 -13.375 -0.563 1.00 0.00 H new ATOM 790 N THR A 57 -4.369 -9.094 3.447 1.00 0.00 N ATOM 791 CA THR A 57 -5.202 -8.138 4.233 1.00 0.00 C ATOM 792 C THR A 57 -5.679 -8.781 5.539 1.00 0.00 C ATOM 793 O THR A 57 -5.715 -8.146 6.569 1.00 0.00 O ATOM 794 CB THR A 57 -6.438 -7.746 3.424 1.00 0.00 C ATOM 795 OG1 THR A 57 -7.111 -8.924 2.993 1.00 0.00 O ATOM 796 CG2 THR A 57 -6.024 -6.929 2.200 1.00 0.00 C ATOM 0 H THR A 57 -4.822 -9.468 2.613 1.00 0.00 H new ATOM 0 HA THR A 57 -4.591 -7.263 4.455 1.00 0.00 H new ATOM 0 HB THR A 57 -7.099 -7.147 4.050 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.905 -8.676 2.475 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.911 -6.654 1.629 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.506 -6.026 2.523 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.359 -7.524 1.573 1.00 0.00 H new ATOM 804 N ASP A 58 -6.065 -10.025 5.499 1.00 0.00 N ATOM 805 CA ASP A 58 -6.561 -10.685 6.739 1.00 0.00 C ATOM 806 C ASP A 58 -5.382 -11.183 7.559 1.00 0.00 C ATOM 807 O ASP A 58 -5.546 -11.830 8.576 1.00 0.00 O ATOM 808 CB ASP A 58 -7.456 -11.867 6.364 1.00 0.00 C ATOM 809 CG ASP A 58 -6.636 -12.900 5.588 1.00 0.00 C ATOM 810 OD1 ASP A 58 -6.007 -12.518 4.609 1.00 0.00 O ATOM 811 OD2 ASP A 58 -6.651 -14.055 5.978 1.00 0.00 O ATOM 0 H ASP A 58 -6.059 -10.612 4.665 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.133 -9.967 7.327 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.875 -12.320 7.263 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.295 -11.524 5.759 1.00 0.00 H new ATOM 816 N LYS A 59 -4.195 -10.888 7.113 1.00 0.00 N ATOM 817 CA LYS A 59 -2.976 -11.336 7.841 1.00 0.00 C ATOM 818 C LYS A 59 -2.275 -10.119 8.452 1.00 0.00 C ATOM 819 O LYS A 59 -1.851 -10.126 9.585 1.00 0.00 O ATOM 820 CB LYS A 59 -2.058 -12.011 6.825 1.00 0.00 C ATOM 821 CG LYS A 59 -2.908 -12.862 5.864 1.00 0.00 C ATOM 822 CD LYS A 59 -2.025 -13.886 5.122 1.00 0.00 C ATOM 823 CE LYS A 59 -2.895 -15.039 4.595 1.00 0.00 C ATOM 824 NZ LYS A 59 -4.241 -14.520 4.222 1.00 0.00 N ATOM 0 H LYS A 59 -4.015 -10.350 6.266 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.231 -12.029 8.643 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.498 -11.260 6.267 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.328 -12.638 7.337 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.687 -13.382 6.422 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.409 -12.216 5.143 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.507 -13.401 4.294 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.259 -14.274 5.794 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.419 -15.500 3.730 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.991 -15.813 5.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.742 -15.232 3.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.786 -14.318 5.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.135 -13.647 3.667 1.00 0.00 H new ATOM 838 N VAL A 60 -2.146 -9.077 7.678 1.00 0.00 N ATOM 839 CA VAL A 60 -1.468 -7.846 8.181 1.00 0.00 C ATOM 840 C VAL A 60 -2.469 -7.136 9.131 1.00 0.00 C ATOM 841 O VAL A 60 -3.664 -7.314 9.011 1.00 0.00 O ATOM 842 CB VAL A 60 -1.026 -6.995 6.941 1.00 0.00 C ATOM 843 CG1 VAL A 60 -1.598 -5.565 6.949 1.00 0.00 C ATOM 844 CG2 VAL A 60 0.532 -6.962 6.785 1.00 0.00 C ATOM 0 H VAL A 60 -2.481 -9.024 6.716 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.561 -8.041 8.753 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.451 -7.501 6.074 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.254 -5.030 6.064 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.687 -5.609 6.946 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.259 -5.042 7.843 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.798 -6.362 5.914 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.978 -6.523 7.678 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.906 -7.977 6.654 1.00 0.00 H new ATOM 854 N PRO A 61 -1.985 -6.399 10.098 1.00 0.00 N ATOM 855 CA PRO A 61 -2.849 -5.726 11.123 1.00 0.00 C ATOM 856 C PRO A 61 -4.064 -4.978 10.537 1.00 0.00 C ATOM 857 O PRO A 61 -3.934 -4.008 9.818 1.00 0.00 O ATOM 858 CB PRO A 61 -1.901 -4.763 11.878 1.00 0.00 C ATOM 859 CG PRO A 61 -0.545 -4.882 11.221 1.00 0.00 C ATOM 860 CD PRO A 61 -0.564 -6.125 10.323 1.00 0.00 C ATOM 0 HA PRO A 61 -3.303 -6.472 11.775 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.268 -3.738 11.824 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.843 -5.026 12.934 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -0.326 -3.990 10.634 1.00 0.00 H new ATOM 0 HG3 PRO A 61 0.238 -4.968 11.975 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.042 -5.943 9.384 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.069 -6.969 10.804 1.00 0.00 H new ATOM 868 N ALA A 62 -5.246 -5.442 10.871 1.00 0.00 N ATOM 869 CA ALA A 62 -6.494 -4.818 10.390 1.00 0.00 C ATOM 870 C ALA A 62 -6.399 -3.304 10.465 1.00 0.00 C ATOM 871 O ALA A 62 -5.915 -2.724 11.418 1.00 0.00 O ATOM 872 CB ALA A 62 -7.660 -5.292 11.259 1.00 0.00 C ATOM 0 H ALA A 62 -5.388 -6.251 11.475 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.654 -5.109 9.352 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.585 -4.834 10.908 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.745 -6.377 11.194 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.482 -5.003 12.295 1.00 0.00 H new ATOM 878 N ALA A 63 -6.862 -2.689 9.441 1.00 0.00 N ATOM 879 CA ALA A 63 -6.836 -1.201 9.348 1.00 0.00 C ATOM 880 C ALA A 63 -7.727 -0.551 10.423 1.00 0.00 C ATOM 881 O ALA A 63 -8.743 -1.081 10.826 1.00 0.00 O ATOM 882 CB ALA A 63 -7.334 -0.795 7.951 1.00 0.00 C ATOM 0 H ALA A 63 -7.273 -3.156 8.632 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.816 -0.855 9.512 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.323 0.291 7.862 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.682 -1.228 7.192 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.351 -1.160 7.807 1.00 0.00 H new ATOM 888 N ASN A 64 -7.310 0.596 10.885 1.00 0.00 N ATOM 889 CA ASN A 64 -8.077 1.314 11.953 1.00 0.00 C ATOM 890 C ASN A 64 -9.203 2.147 11.328 1.00 0.00 C ATOM 891 O ASN A 64 -9.202 2.437 10.147 1.00 0.00 O ATOM 892 CB ASN A 64 -7.128 2.229 12.761 1.00 0.00 C ATOM 893 CG ASN A 64 -5.895 2.571 11.927 1.00 0.00 C ATOM 894 OD1 ASN A 64 -5.737 3.788 11.487 1.00 0.00 O flip ATOM 895 ND2 ASN A 64 -5.066 1.721 11.670 1.00 0.00 N flip ATOM 0 H ASN A 64 -6.466 1.073 10.569 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.517 0.577 12.625 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.648 3.143 13.048 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -6.827 1.731 13.683 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.189 0.769 12.014 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.247 1.960 11.110 1.00 0.00 H new ATOM 902 N GLU A 65 -10.178 2.498 12.122 1.00 0.00 N ATOM 903 CA GLU A 65 -11.349 3.278 11.623 1.00 0.00 C ATOM 904 C GLU A 65 -10.931 4.641 11.069 1.00 0.00 C ATOM 905 O GLU A 65 -11.713 5.301 10.420 1.00 0.00 O ATOM 906 CB GLU A 65 -12.344 3.490 12.768 1.00 0.00 C ATOM 907 CG GLU A 65 -11.694 4.340 13.864 1.00 0.00 C ATOM 908 CD GLU A 65 -12.515 4.226 15.146 1.00 0.00 C ATOM 909 OE1 GLU A 65 -13.416 5.029 15.321 1.00 0.00 O ATOM 910 OE2 GLU A 65 -12.228 3.338 15.929 1.00 0.00 O ATOM 0 H GLU A 65 -10.213 2.273 13.116 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.807 2.708 10.815 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.242 3.983 12.396 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.654 2.528 13.176 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.672 4.005 14.042 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.637 5.381 13.547 1.00 0.00 H new ATOM 917 N ARG A 66 -9.725 5.084 11.294 1.00 0.00 N ATOM 918 CA ARG A 66 -9.336 6.400 10.734 1.00 0.00 C ATOM 919 C ARG A 66 -9.256 6.263 9.214 1.00 0.00 C ATOM 920 O ARG A 66 -9.561 7.177 8.474 1.00 0.00 O ATOM 921 CB ARG A 66 -7.970 6.805 11.300 1.00 0.00 C ATOM 922 CG ARG A 66 -8.104 7.137 12.789 1.00 0.00 C ATOM 923 CD ARG A 66 -6.728 7.484 13.403 1.00 0.00 C ATOM 924 NE ARG A 66 -6.688 8.948 13.689 1.00 0.00 N ATOM 925 CZ ARG A 66 -5.557 9.612 13.670 1.00 0.00 C ATOM 926 NH1 ARG A 66 -4.443 9.023 13.323 1.00 0.00 N ATOM 927 NH2 ARG A 66 -5.552 10.875 14.000 1.00 0.00 N ATOM 0 H ARG A 66 -9.006 4.599 11.832 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.066 7.165 10.999 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.254 5.995 11.162 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.583 7.668 10.759 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.787 7.977 12.918 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.539 6.288 13.317 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.569 6.915 14.319 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.928 7.211 12.715 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.555 9.441 13.903 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.447 8.037 13.063 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.570 9.550 13.312 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.422 11.335 14.269 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.678 11.402 13.989 1.00 0.00 H new ATOM 941 N GLU A 67 -8.837 5.117 8.753 1.00 0.00 N ATOM 942 CA GLU A 67 -8.713 4.876 7.291 1.00 0.00 C ATOM 943 C GLU A 67 -10.092 4.658 6.655 1.00 0.00 C ATOM 944 O GLU A 67 -10.362 5.137 5.569 1.00 0.00 O ATOM 945 CB GLU A 67 -7.854 3.628 7.076 1.00 0.00 C ATOM 946 CG GLU A 67 -6.508 3.800 7.783 1.00 0.00 C ATOM 947 CD GLU A 67 -5.560 2.677 7.356 1.00 0.00 C ATOM 948 OE1 GLU A 67 -6.031 1.568 7.171 1.00 0.00 O ATOM 949 OE2 GLU A 67 -4.378 2.948 7.211 1.00 0.00 O ATOM 0 H GLU A 67 -8.571 4.325 9.339 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.253 5.746 6.823 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.369 2.749 7.463 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.697 3.462 6.010 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.076 4.769 7.534 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.648 3.781 8.864 1.00 0.00 H new ATOM 956 N ILE A 68 -10.968 3.943 7.307 1.00 0.00 N ATOM 957 CA ILE A 68 -12.320 3.699 6.713 1.00 0.00 C ATOM 958 C ILE A 68 -12.946 5.040 6.311 1.00 0.00 C ATOM 959 O ILE A 68 -13.651 5.135 5.321 1.00 0.00 O ATOM 960 CB ILE A 68 -13.210 2.982 7.755 1.00 0.00 C ATOM 961 CG1 ILE A 68 -12.865 1.485 7.794 1.00 0.00 C ATOM 962 CG2 ILE A 68 -14.694 3.132 7.388 1.00 0.00 C ATOM 963 CD1 ILE A 68 -11.355 1.285 7.937 1.00 0.00 C ATOM 0 H ILE A 68 -10.810 3.518 8.221 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.232 3.070 5.827 1.00 0.00 H new ATOM 0 HB ILE A 68 -13.028 3.435 8.729 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.381 1.009 8.628 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -13.217 1.001 6.883 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -15.306 2.622 8.132 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -14.958 4.189 7.365 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -14.873 2.692 6.407 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.130 0.219 7.963 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.845 1.743 7.089 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -11.012 1.751 8.861 1.00 0.00 H new ATOM 975 N GLY A 69 -12.701 6.069 7.065 1.00 0.00 N ATOM 976 CA GLY A 69 -13.292 7.397 6.730 1.00 0.00 C ATOM 977 C GLY A 69 -12.507 8.050 5.596 1.00 0.00 C ATOM 978 O GLY A 69 -13.061 8.774 4.791 1.00 0.00 O ATOM 0 H GLY A 69 -12.117 6.052 7.901 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.335 7.276 6.438 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.280 8.041 7.609 1.00 0.00 H new ATOM 982 N MET A 70 -11.232 7.790 5.493 1.00 0.00 N ATOM 983 CA MET A 70 -10.437 8.386 4.386 1.00 0.00 C ATOM 984 C MET A 70 -10.675 7.562 3.126 1.00 0.00 C ATOM 985 O MET A 70 -10.685 8.073 2.028 1.00 0.00 O ATOM 986 CB MET A 70 -8.952 8.361 4.749 1.00 0.00 C ATOM 987 CG MET A 70 -8.718 9.229 5.991 1.00 0.00 C ATOM 988 SD MET A 70 -6.948 9.235 6.394 1.00 0.00 S ATOM 989 CE MET A 70 -7.050 8.527 8.062 1.00 0.00 C ATOM 0 H MET A 70 -10.708 7.190 6.129 1.00 0.00 H new ATOM 0 HA MET A 70 -10.740 9.420 4.219 1.00 0.00 H new ATOM 0 HB2 MET A 70 -8.630 7.337 4.941 1.00 0.00 H new ATOM 0 HB3 MET A 70 -8.356 8.731 3.915 1.00 0.00 H new ATOM 0 HG2 MET A 70 -9.065 10.246 5.808 1.00 0.00 H new ATOM 0 HG3 MET A 70 -9.293 8.843 6.832 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.158 8.798 8.627 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.933 8.916 8.569 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.120 7.441 7.993 1.00 0.00 H new ATOM 999 N LEU A 71 -10.873 6.281 3.285 1.00 0.00 N ATOM 1000 CA LEU A 71 -11.122 5.414 2.106 1.00 0.00 C ATOM 1001 C LEU A 71 -12.384 5.910 1.393 1.00 0.00 C ATOM 1002 O LEU A 71 -12.521 5.790 0.200 1.00 0.00 O ATOM 1003 CB LEU A 71 -11.311 3.960 2.564 1.00 0.00 C ATOM 1004 CG LEU A 71 -9.963 3.339 2.976 1.00 0.00 C ATOM 1005 CD1 LEU A 71 -10.213 1.910 3.465 1.00 0.00 C ATOM 1006 CD2 LEU A 71 -8.967 3.321 1.782 1.00 0.00 C ATOM 0 H LEU A 71 -10.872 5.800 4.184 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.273 5.456 1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.005 3.925 3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.756 3.375 1.759 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.521 3.940 3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.267 1.456 3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.889 1.931 4.320 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.661 1.324 2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.024 2.877 2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.387 2.732 0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.791 4.341 1.440 1.00 0.00 H new ATOM 1018 N GLU A 72 -13.297 6.497 2.118 1.00 0.00 N ATOM 1019 CA GLU A 72 -14.530 7.023 1.480 1.00 0.00 C ATOM 1020 C GLU A 72 -14.190 8.346 0.781 1.00 0.00 C ATOM 1021 O GLU A 72 -15.010 8.944 0.114 1.00 0.00 O ATOM 1022 CB GLU A 72 -15.592 7.253 2.567 1.00 0.00 C ATOM 1023 CG GLU A 72 -16.743 8.103 2.009 1.00 0.00 C ATOM 1024 CD GLU A 72 -17.972 7.958 2.909 1.00 0.00 C ATOM 1025 OE1 GLU A 72 -17.812 8.051 4.118 1.00 0.00 O ATOM 1026 OE2 GLU A 72 -19.051 7.756 2.384 1.00 0.00 O ATOM 0 H GLU A 72 -13.239 6.634 3.127 1.00 0.00 H new ATOM 0 HA GLU A 72 -14.918 6.316 0.747 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.975 6.296 2.921 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -15.143 7.753 3.425 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -16.442 9.149 1.953 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -16.984 7.786 0.994 1.00 0.00 H new ATOM 1033 N CYS A 73 -12.983 8.811 0.969 1.00 0.00 N ATOM 1034 CA CYS A 73 -12.552 10.114 0.365 1.00 0.00 C ATOM 1035 C CYS A 73 -11.553 9.878 -0.775 1.00 0.00 C ATOM 1036 O CYS A 73 -10.923 10.805 -1.242 1.00 0.00 O ATOM 1037 CB CYS A 73 -11.898 10.968 1.483 1.00 0.00 C ATOM 1038 SG CYS A 73 -12.811 12.522 1.700 1.00 0.00 S ATOM 0 H CYS A 73 -12.266 8.340 1.521 1.00 0.00 H new ATOM 0 HA CYS A 73 -13.415 10.633 -0.053 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -11.889 10.409 2.419 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -10.860 11.180 1.228 1.00 0.00 H new ATOM 0 HG CYS A 73 -12.253 13.225 2.641 1.00 0.00 H new ATOM 1044 N VAL A 74 -11.376 8.663 -1.223 1.00 0.00 N ATOM 1045 CA VAL A 74 -10.394 8.404 -2.317 1.00 0.00 C ATOM 1046 C VAL A 74 -10.972 8.818 -3.680 1.00 0.00 C ATOM 1047 O VAL A 74 -12.157 9.046 -3.819 1.00 0.00 O ATOM 1048 CB VAL A 74 -10.094 6.908 -2.352 1.00 0.00 C ATOM 1049 CG1 VAL A 74 -9.551 6.457 -0.982 1.00 0.00 C ATOM 1050 CG2 VAL A 74 -11.390 6.159 -2.657 1.00 0.00 C ATOM 0 H VAL A 74 -11.869 7.839 -0.879 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.491 8.984 -2.126 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.349 6.696 -3.118 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -9.337 5.388 -1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.636 7.004 -0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.295 6.659 -0.211 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -11.193 5.087 -2.686 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.125 6.372 -1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -11.778 6.482 -3.623 1.00 0.00 H new ATOM 1060 N THR A 75 -10.129 8.935 -4.669 1.00 0.00 N ATOM 1061 CA THR A 75 -10.607 9.356 -6.023 1.00 0.00 C ATOM 1062 C THR A 75 -11.025 8.154 -6.882 1.00 0.00 C ATOM 1063 O THR A 75 -11.856 8.299 -7.760 1.00 0.00 O ATOM 1064 CB THR A 75 -9.486 10.111 -6.741 1.00 0.00 C ATOM 1065 OG1 THR A 75 -8.918 11.065 -5.863 1.00 0.00 O ATOM 1066 CG2 THR A 75 -10.056 10.824 -7.970 1.00 0.00 C ATOM 0 H THR A 75 -9.127 8.757 -4.601 1.00 0.00 H new ATOM 0 HA THR A 75 -11.479 9.995 -5.885 1.00 0.00 H new ATOM 0 HB THR A 75 -8.717 9.405 -7.054 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.536 11.236 -5.122 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.258 11.362 -8.481 1.00 0.00 H new ATOM 0 HG22 THR A 75 -10.491 10.089 -8.648 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.826 11.529 -7.657 1.00 0.00 H new ATOM 1074 N ALA A 76 -10.465 6.976 -6.688 1.00 0.00 N ATOM 1075 CA ALA A 76 -10.857 5.810 -7.551 1.00 0.00 C ATOM 1076 C ALA A 76 -11.912 4.941 -6.840 1.00 0.00 C ATOM 1077 O ALA A 76 -12.402 5.283 -5.779 1.00 0.00 O ATOM 1078 CB ALA A 76 -9.600 4.984 -7.869 1.00 0.00 C ATOM 0 H ALA A 76 -9.762 6.775 -5.977 1.00 0.00 H new ATOM 0 HA ALA A 76 -11.298 6.174 -8.479 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.872 4.134 -8.495 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.879 5.608 -8.397 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.157 4.623 -6.941 1.00 0.00 H new ATOM 1084 N GLU A 77 -12.303 3.848 -7.445 1.00 0.00 N ATOM 1085 CA GLU A 77 -13.372 2.955 -6.879 1.00 0.00 C ATOM 1086 C GLU A 77 -12.863 2.158 -5.671 1.00 0.00 C ATOM 1087 O GLU A 77 -11.830 1.544 -5.714 1.00 0.00 O ATOM 1088 CB GLU A 77 -13.814 2.022 -8.039 1.00 0.00 C ATOM 1089 CG GLU A 77 -13.785 0.523 -7.685 1.00 0.00 C ATOM 1090 CD GLU A 77 -14.814 0.227 -6.604 1.00 0.00 C ATOM 1091 OE1 GLU A 77 -15.289 1.168 -5.987 1.00 0.00 O ATOM 1092 OE2 GLU A 77 -15.118 -0.939 -6.401 1.00 0.00 O ATOM 0 H GLU A 77 -11.917 3.525 -8.332 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.213 3.539 -6.506 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.825 2.293 -8.344 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.165 2.194 -8.897 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.995 -0.073 -8.573 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.790 0.241 -7.340 1.00 0.00 H new ATOM 1099 N LEU A 78 -13.585 2.166 -4.591 1.00 0.00 N ATOM 1100 CA LEU A 78 -13.121 1.411 -3.389 1.00 0.00 C ATOM 1101 C LEU A 78 -13.432 -0.066 -3.512 1.00 0.00 C ATOM 1102 O LEU A 78 -14.383 -0.497 -4.131 1.00 0.00 O ATOM 1103 CB LEU A 78 -13.766 1.997 -2.128 1.00 0.00 C ATOM 1104 CG LEU A 78 -12.850 1.761 -0.910 1.00 0.00 C ATOM 1105 CD1 LEU A 78 -11.676 2.745 -0.951 1.00 0.00 C ATOM 1106 CD2 LEU A 78 -13.641 1.965 0.386 1.00 0.00 C ATOM 0 H LEU A 78 -14.472 2.658 -4.483 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.038 1.512 -3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.940 3.065 -2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.738 1.534 -1.958 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.471 0.739 -0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.030 2.577 -0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.106 2.593 -1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.056 3.766 -0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.987 1.797 1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -14.028 2.984 0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.472 1.260 0.420 1.00 0.00 H new ATOM 1118 N LYS A 79 -12.586 -0.831 -2.900 1.00 0.00 N ATOM 1119 CA LYS A 79 -12.698 -2.301 -2.902 1.00 0.00 C ATOM 1120 C LYS A 79 -13.078 -2.737 -1.486 1.00 0.00 C ATOM 1121 O LYS A 79 -12.787 -2.043 -0.529 1.00 0.00 O ATOM 1122 CB LYS A 79 -11.308 -2.832 -3.256 1.00 0.00 C ATOM 1123 CG LYS A 79 -11.077 -2.816 -4.770 1.00 0.00 C ATOM 1124 CD LYS A 79 -11.779 -4.009 -5.434 1.00 0.00 C ATOM 1125 CE LYS A 79 -11.303 -4.140 -6.882 1.00 0.00 C ATOM 1126 NZ LYS A 79 -11.917 -5.352 -7.499 1.00 0.00 N ATOM 0 H LYS A 79 -11.786 -0.478 -2.375 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.443 -2.670 -3.606 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.548 -2.226 -2.763 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.198 -3.849 -2.880 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.454 -1.884 -5.191 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.008 -2.852 -4.981 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.561 -4.925 -4.884 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.860 -3.870 -5.406 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.579 -3.251 -7.449 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.216 -4.214 -6.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.594 -5.442 -8.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.633 -6.196 -6.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.953 -5.264 -7.481 1.00 0.00 H new ATOM 1140 N PRO A 80 -13.699 -3.870 -1.332 1.00 0.00 N ATOM 1141 CA PRO A 80 -14.072 -4.352 0.014 1.00 0.00 C ATOM 1142 C PRO A 80 -12.818 -4.449 0.890 1.00 0.00 C ATOM 1143 O PRO A 80 -12.862 -4.272 2.089 1.00 0.00 O ATOM 1144 CB PRO A 80 -14.713 -5.736 -0.225 1.00 0.00 C ATOM 1145 CG PRO A 80 -14.335 -6.114 -1.636 1.00 0.00 C ATOM 1146 CD PRO A 80 -14.105 -4.803 -2.386 1.00 0.00 C ATOM 0 HA PRO A 80 -14.761 -3.686 0.534 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -14.342 -6.470 0.491 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -15.796 -5.693 -0.106 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -13.436 -6.730 -1.646 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -15.126 -6.697 -2.107 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -13.333 -4.907 -3.148 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -15.010 -4.467 -2.892 1.00 0.00 H new ATOM 1154 N ASN A 81 -11.696 -4.738 0.269 1.00 0.00 N ATOM 1155 CA ASN A 81 -10.408 -4.864 1.022 1.00 0.00 C ATOM 1156 C ASN A 81 -9.484 -3.668 0.731 1.00 0.00 C ATOM 1157 O ASN A 81 -8.278 -3.794 0.797 1.00 0.00 O ATOM 1158 CB ASN A 81 -9.721 -6.195 0.613 1.00 0.00 C ATOM 1159 CG ASN A 81 -8.715 -5.988 -0.526 1.00 0.00 C ATOM 1160 OD1 ASN A 81 -7.530 -5.860 -0.293 1.00 0.00 O ATOM 1161 ND2 ASN A 81 -9.138 -5.950 -1.757 1.00 0.00 N ATOM 0 H ASN A 81 -11.619 -4.893 -0.736 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.613 -4.868 2.093 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.210 -6.621 1.477 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.478 -6.915 0.303 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -8.475 -5.813 -2.520 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.132 -6.057 -1.958 1.00 0.00 H new ATOM 1168 N SER A 82 -10.006 -2.506 0.422 1.00 0.00 N ATOM 1169 CA SER A 82 -9.105 -1.354 0.163 1.00 0.00 C ATOM 1170 C SER A 82 -8.169 -1.167 1.351 1.00 0.00 C ATOM 1171 O SER A 82 -8.556 -1.317 2.495 1.00 0.00 O ATOM 1172 CB SER A 82 -9.933 -0.090 -0.018 1.00 0.00 C ATOM 1173 OG SER A 82 -10.382 -0.034 -1.359 1.00 0.00 O ATOM 0 H SER A 82 -11.004 -2.312 0.340 1.00 0.00 H new ATOM 0 HA SER A 82 -8.525 -1.546 -0.740 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.782 -0.092 0.666 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.336 0.791 0.218 1.00 0.00 H new ATOM 0 HG SER A 82 -9.649 -0.282 -1.960 1.00 0.00 H new ATOM 1179 N ARG A 83 -6.932 -0.875 1.080 1.00 0.00 N ATOM 1180 CA ARG A 83 -5.933 -0.712 2.183 1.00 0.00 C ATOM 1181 C ARG A 83 -5.037 0.489 1.912 1.00 0.00 C ATOM 1182 O ARG A 83 -4.796 0.865 0.778 1.00 0.00 O ATOM 1183 CB ARG A 83 -5.078 -1.983 2.272 1.00 0.00 C ATOM 1184 CG ARG A 83 -5.847 -3.093 3.022 1.00 0.00 C ATOM 1185 CD ARG A 83 -5.569 -3.015 4.540 1.00 0.00 C ATOM 1186 NE ARG A 83 -6.767 -3.518 5.283 1.00 0.00 N ATOM 1187 CZ ARG A 83 -6.646 -4.280 6.352 1.00 0.00 C ATOM 1188 NH1 ARG A 83 -5.473 -4.695 6.754 1.00 0.00 N ATOM 1189 NH2 ARG A 83 -7.718 -4.636 7.008 1.00 0.00 N ATOM 0 H ARG A 83 -6.561 -0.740 0.139 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.458 -0.549 3.124 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.817 -2.325 1.271 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.143 -1.766 2.789 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.916 -2.991 2.837 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.549 -4.070 2.642 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.692 -3.611 4.793 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.351 -1.987 4.830 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.699 -3.265 4.955 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.634 -4.430 6.238 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.397 -5.284 7.583 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.636 -4.325 6.692 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.637 -5.225 7.837 1.00 0.00 H new ATOM 1203 N LEU A 84 -4.539 1.086 2.956 1.00 0.00 N ATOM 1204 CA LEU A 84 -3.650 2.263 2.804 1.00 0.00 C ATOM 1205 C LEU A 84 -2.224 1.727 2.657 1.00 0.00 C ATOM 1206 O LEU A 84 -1.965 0.593 2.991 1.00 0.00 O ATOM 1207 CB LEU A 84 -3.774 3.158 4.047 1.00 0.00 C ATOM 1208 CG LEU A 84 -5.171 3.842 4.138 1.00 0.00 C ATOM 1209 CD1 LEU A 84 -5.197 5.131 3.317 1.00 0.00 C ATOM 1210 CD2 LEU A 84 -6.302 2.930 3.633 1.00 0.00 C ATOM 0 H LEU A 84 -4.714 0.803 3.920 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.918 2.862 1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.604 2.560 4.942 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.997 3.922 4.022 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.336 4.057 5.194 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.182 5.592 3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.443 5.820 3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.985 4.902 2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.255 3.452 3.717 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.121 2.670 2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.332 2.021 4.234 1.00 0.00 H new ATOM 1222 N CYS A 85 -1.308 2.503 2.148 1.00 0.00 N ATOM 1223 CA CYS A 85 0.095 1.996 1.955 1.00 0.00 C ATOM 1224 C CYS A 85 1.048 2.595 2.994 1.00 0.00 C ATOM 1225 O CYS A 85 2.245 2.394 2.928 1.00 0.00 O ATOM 1226 CB CYS A 85 0.565 2.382 0.547 1.00 0.00 C ATOM 1227 SG CYS A 85 1.833 1.217 -0.003 1.00 0.00 S ATOM 0 H CYS A 85 -1.463 3.468 1.855 1.00 0.00 H new ATOM 0 HA CYS A 85 0.100 0.913 2.078 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.277 2.373 -0.145 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.964 3.396 0.550 1.00 0.00 H new ATOM 0 HG CYS A 85 2.231 1.541 -1.197 1.00 0.00 H new ATOM 1233 N CYS A 86 0.538 3.338 3.956 1.00 0.00 N ATOM 1234 CA CYS A 86 1.432 3.960 4.990 1.00 0.00 C ATOM 1235 C CYS A 86 1.206 3.312 6.363 1.00 0.00 C ATOM 1236 O CYS A 86 2.095 3.294 7.190 1.00 0.00 O ATOM 1237 CB CYS A 86 1.147 5.464 5.086 1.00 0.00 C ATOM 1238 SG CYS A 86 -0.602 5.747 5.448 1.00 0.00 S ATOM 0 H CYS A 86 -0.456 3.539 4.068 1.00 0.00 H new ATOM 0 HA CYS A 86 2.468 3.799 4.690 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.764 5.909 5.867 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.416 5.953 4.150 1.00 0.00 H new ATOM 1243 N GLN A 87 0.032 2.790 6.624 1.00 0.00 N ATOM 1244 CA GLN A 87 -0.233 2.155 7.957 1.00 0.00 C ATOM 1245 C GLN A 87 -0.097 0.625 7.868 1.00 0.00 C ATOM 1246 O GLN A 87 -0.565 -0.098 8.722 1.00 0.00 O ATOM 1247 CB GLN A 87 -1.653 2.531 8.419 1.00 0.00 C ATOM 1248 CG GLN A 87 -1.747 2.463 9.945 1.00 0.00 C ATOM 1249 CD GLN A 87 -3.129 2.943 10.393 1.00 0.00 C ATOM 1250 OE1 GLN A 87 -4.166 2.709 9.637 1.00 0.00 O flip ATOM 1251 NE2 GLN A 87 -3.265 3.539 11.447 1.00 0.00 N flip ATOM 0 H GLN A 87 -0.754 2.775 5.974 1.00 0.00 H new ATOM 0 HA GLN A 87 0.499 2.519 8.677 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.901 3.536 8.076 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -2.380 1.853 7.972 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.577 1.442 10.285 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -0.971 3.082 10.396 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -2.454 3.722 12.038 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -4.190 3.855 11.738 1.00 0.00 H new ATOM 1260 N ILE A 88 0.541 0.136 6.832 1.00 0.00 N ATOM 1261 CA ILE A 88 0.716 -1.354 6.671 1.00 0.00 C ATOM 1262 C ILE A 88 2.173 -1.745 6.941 1.00 0.00 C ATOM 1263 O ILE A 88 3.082 -1.206 6.367 1.00 0.00 O ATOM 1264 CB ILE A 88 0.309 -1.785 5.251 1.00 0.00 C ATOM 1265 CG1 ILE A 88 -1.177 -1.436 5.003 1.00 0.00 C ATOM 1266 CG2 ILE A 88 0.547 -3.293 5.080 1.00 0.00 C ATOM 1267 CD1 ILE A 88 -2.125 -2.464 5.642 1.00 0.00 C ATOM 0 H ILE A 88 0.951 0.700 6.087 1.00 0.00 H new ATOM 0 HA ILE A 88 0.075 -1.863 7.391 1.00 0.00 H new ATOM 0 HB ILE A 88 0.917 -1.251 4.520 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.389 -0.446 5.408 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.364 -1.388 3.930 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.258 -3.595 4.073 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.603 -3.515 5.236 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.050 -3.841 5.809 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.158 -2.179 5.443 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.932 -3.450 5.218 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.958 -2.493 6.719 1.00 0.00 H new ATOM 1279 N ILE A 89 2.388 -2.676 7.850 1.00 0.00 N ATOM 1280 CA ILE A 89 3.783 -3.109 8.219 1.00 0.00 C ATOM 1281 C ILE A 89 4.122 -4.446 7.545 1.00 0.00 C ATOM 1282 O ILE A 89 3.458 -5.445 7.747 1.00 0.00 O ATOM 1283 CB ILE A 89 3.869 -3.258 9.761 1.00 0.00 C ATOM 1284 CG1 ILE A 89 4.349 -1.941 10.393 1.00 0.00 C ATOM 1285 CG2 ILE A 89 4.842 -4.388 10.165 1.00 0.00 C ATOM 1286 CD1 ILE A 89 3.477 -0.772 9.917 1.00 0.00 C ATOM 0 H ILE A 89 1.647 -3.160 8.358 1.00 0.00 H new ATOM 0 HA ILE A 89 4.498 -2.361 7.878 1.00 0.00 H new ATOM 0 HB ILE A 89 2.871 -3.507 10.123 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.308 -2.015 11.480 1.00 0.00 H new ATOM 0 HG13 ILE A 89 5.390 -1.760 10.125 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.879 -4.465 11.252 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.497 -5.333 9.745 1.00 0.00 H new ATOM 0 HG23 ILE A 89 5.838 -4.164 9.783 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.829 0.154 10.373 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.540 -0.689 8.832 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.441 -0.949 10.208 1.00 0.00 H new ATOM 1298 N MET A 90 5.150 -4.458 6.752 1.00 0.00 N ATOM 1299 CA MET A 90 5.540 -5.709 6.056 1.00 0.00 C ATOM 1300 C MET A 90 6.297 -6.634 7.007 1.00 0.00 C ATOM 1301 O MET A 90 6.867 -6.210 7.991 1.00 0.00 O ATOM 1302 CB MET A 90 6.401 -5.355 4.827 1.00 0.00 C ATOM 1303 CG MET A 90 6.008 -6.242 3.644 1.00 0.00 C ATOM 1304 SD MET A 90 4.264 -5.939 3.205 1.00 0.00 S ATOM 1305 CE MET A 90 3.574 -7.582 3.589 1.00 0.00 C ATOM 0 H MET A 90 5.741 -3.650 6.554 1.00 0.00 H new ATOM 0 HA MET A 90 4.646 -6.237 5.723 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.265 -4.305 4.567 1.00 0.00 H new ATOM 0 HB3 MET A 90 7.457 -5.491 5.060 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.651 -6.031 2.789 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.152 -7.292 3.900 1.00 0.00 H new ATOM 0 HE1 MET A 90 2.625 -7.709 3.067 1.00 0.00 H new ATOM 0 HE2 MET A 90 4.272 -8.354 3.266 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.411 -7.666 4.664 1.00 0.00 H new ATOM 1315 N THR A 91 6.306 -7.902 6.699 1.00 0.00 N ATOM 1316 CA THR A 91 7.024 -8.892 7.552 1.00 0.00 C ATOM 1317 C THR A 91 7.509 -10.034 6.651 1.00 0.00 C ATOM 1318 O THR A 91 6.885 -10.339 5.655 1.00 0.00 O ATOM 1319 CB THR A 91 6.071 -9.453 8.611 1.00 0.00 C ATOM 1320 OG1 THR A 91 4.816 -9.739 8.011 1.00 0.00 O ATOM 1321 CG2 THR A 91 5.877 -8.435 9.731 1.00 0.00 C ATOM 0 H THR A 91 5.841 -8.299 5.883 1.00 0.00 H new ATOM 0 HA THR A 91 7.866 -8.414 8.052 1.00 0.00 H new ATOM 0 HB THR A 91 6.497 -10.366 9.028 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.205 -10.100 8.687 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.198 -8.843 10.480 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.839 -8.216 10.195 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.456 -7.518 9.320 1.00 0.00 H new ATOM 1329 N PRO A 92 8.609 -10.662 6.981 1.00 0.00 N ATOM 1330 CA PRO A 92 9.162 -11.774 6.157 1.00 0.00 C ATOM 1331 C PRO A 92 8.138 -12.895 5.968 1.00 0.00 C ATOM 1332 O PRO A 92 7.981 -13.422 4.882 1.00 0.00 O ATOM 1333 CB PRO A 92 10.389 -12.263 6.958 1.00 0.00 C ATOM 1334 CG PRO A 92 10.214 -11.709 8.338 1.00 0.00 C ATOM 1335 CD PRO A 92 9.442 -10.407 8.171 1.00 0.00 C ATOM 0 HA PRO A 92 9.424 -11.452 5.149 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.437 -13.352 6.976 1.00 0.00 H new ATOM 0 HB3 PRO A 92 11.317 -11.910 6.508 1.00 0.00 H new ATOM 0 HG2 PRO A 92 9.669 -12.407 8.973 1.00 0.00 H new ATOM 0 HG3 PRO A 92 11.179 -11.533 8.813 1.00 0.00 H new ATOM 0 HD2 PRO A 92 8.834 -10.183 9.048 1.00 0.00 H new ATOM 0 HD3 PRO A 92 10.110 -9.559 8.021 1.00 0.00 H new ATOM 1343 N GLU A 93 7.444 -13.265 7.002 1.00 0.00 N ATOM 1344 CA GLU A 93 6.442 -14.353 6.864 1.00 0.00 C ATOM 1345 C GLU A 93 5.449 -13.986 5.759 1.00 0.00 C ATOM 1346 O GLU A 93 4.971 -14.838 5.033 1.00 0.00 O ATOM 1347 CB GLU A 93 5.696 -14.546 8.185 1.00 0.00 C ATOM 1348 CG GLU A 93 5.373 -13.181 8.802 1.00 0.00 C ATOM 1349 CD GLU A 93 4.289 -13.344 9.870 1.00 0.00 C ATOM 1350 OE1 GLU A 93 4.478 -14.160 10.758 1.00 0.00 O ATOM 1351 OE2 GLU A 93 3.289 -12.652 9.782 1.00 0.00 O ATOM 0 H GLU A 93 7.526 -12.863 7.936 1.00 0.00 H new ATOM 0 HA GLU A 93 6.950 -15.282 6.606 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.776 -15.106 8.016 1.00 0.00 H new ATOM 0 HB3 GLU A 93 6.304 -15.132 8.874 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.271 -12.749 9.244 1.00 0.00 H new ATOM 0 HG3 GLU A 93 5.035 -12.492 8.028 1.00 0.00 H new ATOM 1358 N LEU A 94 5.105 -12.727 5.642 1.00 0.00 N ATOM 1359 CA LEU A 94 4.105 -12.319 4.608 1.00 0.00 C ATOM 1360 C LEU A 94 4.798 -11.982 3.281 1.00 0.00 C ATOM 1361 O LEU A 94 4.250 -11.313 2.436 1.00 0.00 O ATOM 1362 CB LEU A 94 3.278 -11.119 5.125 1.00 0.00 C ATOM 1363 CG LEU A 94 2.137 -11.619 6.044 1.00 0.00 C ATOM 1364 CD1 LEU A 94 1.314 -10.420 6.505 1.00 0.00 C ATOM 1365 CD2 LEU A 94 1.218 -12.618 5.299 1.00 0.00 C ATOM 0 H LEU A 94 5.472 -11.967 6.215 1.00 0.00 H new ATOM 0 HA LEU A 94 3.429 -13.153 4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.923 -10.432 5.673 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.862 -10.564 4.284 1.00 0.00 H new ATOM 0 HG LEU A 94 2.575 -12.133 6.900 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.507 -10.760 7.153 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.954 -9.729 7.054 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.893 -9.913 5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.426 -12.953 5.969 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.777 -12.129 4.431 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.804 -13.477 4.972 1.00 0.00 H new ATOM 1377 N ASP A 95 5.996 -12.449 3.108 1.00 0.00 N ATOM 1378 CA ASP A 95 6.719 -12.182 1.829 1.00 0.00 C ATOM 1379 C ASP A 95 5.868 -12.670 0.643 1.00 0.00 C ATOM 1380 O ASP A 95 5.313 -13.751 0.668 1.00 0.00 O ATOM 1381 CB ASP A 95 8.049 -12.942 1.847 1.00 0.00 C ATOM 1382 CG ASP A 95 7.777 -14.448 1.852 1.00 0.00 C ATOM 1383 OD1 ASP A 95 7.401 -14.964 0.812 1.00 0.00 O ATOM 1384 OD2 ASP A 95 7.950 -15.060 2.890 1.00 0.00 O ATOM 0 H ASP A 95 6.511 -13.004 3.792 1.00 0.00 H new ATOM 0 HA ASP A 95 6.901 -11.112 1.724 1.00 0.00 H new ATOM 0 HB2 ASP A 95 8.646 -12.672 0.976 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.627 -12.663 2.728 1.00 0.00 H new ATOM 1389 N GLY A 96 5.794 -11.887 -0.397 1.00 0.00 N ATOM 1390 CA GLY A 96 5.016 -12.287 -1.629 1.00 0.00 C ATOM 1391 C GLY A 96 3.784 -11.393 -1.783 1.00 0.00 C ATOM 1392 O GLY A 96 2.977 -11.554 -2.673 1.00 0.00 O ATOM 0 H GLY A 96 6.242 -10.972 -0.457 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.649 -12.203 -2.512 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.711 -13.331 -1.554 1.00 0.00 H new ATOM 1396 N ILE A 97 3.622 -10.494 -0.870 1.00 0.00 N ATOM 1397 CA ILE A 97 2.428 -9.588 -0.853 1.00 0.00 C ATOM 1398 C ILE A 97 2.286 -8.829 -2.183 1.00 0.00 C ATOM 1399 O ILE A 97 3.216 -8.217 -2.661 1.00 0.00 O ATOM 1400 CB ILE A 97 2.601 -8.620 0.343 1.00 0.00 C ATOM 1401 CG1 ILE A 97 1.974 -7.228 0.090 1.00 0.00 C ATOM 1402 CG2 ILE A 97 4.097 -8.455 0.637 1.00 0.00 C ATOM 1403 CD1 ILE A 97 0.463 -7.348 -0.103 1.00 0.00 C ATOM 0 H ILE A 97 4.280 -10.335 -0.107 1.00 0.00 H new ATOM 0 HA ILE A 97 1.511 -10.166 -0.736 1.00 0.00 H new ATOM 0 HB ILE A 97 2.077 -9.056 1.193 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.188 -6.568 0.931 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.424 -6.775 -0.793 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.230 -7.775 1.478 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.529 -9.425 0.883 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.598 -8.048 -0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.039 -6.359 -0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.255 -7.990 -0.959 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.015 -7.780 0.792 1.00 0.00 H new ATOM 1415 N VAL A 98 1.106 -8.861 -2.767 1.00 0.00 N ATOM 1416 CA VAL A 98 0.873 -8.137 -4.064 1.00 0.00 C ATOM 1417 C VAL A 98 0.043 -6.874 -3.806 1.00 0.00 C ATOM 1418 O VAL A 98 -1.092 -6.941 -3.373 1.00 0.00 O ATOM 1419 CB VAL A 98 0.113 -9.049 -5.031 1.00 0.00 C ATOM 1420 CG1 VAL A 98 0.250 -8.514 -6.457 1.00 0.00 C ATOM 1421 CG2 VAL A 98 0.692 -10.463 -4.958 1.00 0.00 C ATOM 0 H VAL A 98 0.294 -9.358 -2.401 1.00 0.00 H new ATOM 0 HA VAL A 98 1.834 -7.861 -4.499 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.941 -9.072 -4.754 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.292 -9.165 -7.143 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.164 -7.507 -6.509 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.303 -8.488 -6.736 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.152 -11.113 -5.646 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.746 -10.439 -5.234 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.591 -10.846 -3.942 1.00 0.00 H new ATOM 1431 N VAL A 99 0.600 -5.723 -4.074 1.00 0.00 N ATOM 1432 CA VAL A 99 -0.129 -4.438 -3.861 1.00 0.00 C ATOM 1433 C VAL A 99 -0.596 -3.906 -5.217 1.00 0.00 C ATOM 1434 O VAL A 99 0.181 -3.778 -6.148 1.00 0.00 O ATOM 1435 CB VAL A 99 0.838 -3.407 -3.257 1.00 0.00 C ATOM 1436 CG1 VAL A 99 0.055 -2.375 -2.438 1.00 0.00 C ATOM 1437 CG2 VAL A 99 1.859 -4.108 -2.363 1.00 0.00 C ATOM 0 H VAL A 99 1.547 -5.617 -4.438 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.977 -4.603 -3.197 1.00 0.00 H new ATOM 0 HB VAL A 99 1.363 -2.899 -4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.746 -1.647 -2.013 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.658 -1.863 -3.084 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.481 -2.879 -1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.540 -3.369 -1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.341 -4.628 -1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.426 -4.828 -2.953 1.00 0.00 H new ATOM 1447 N ASP A 100 -1.849 -3.606 -5.338 1.00 0.00 N ATOM 1448 CA ASP A 100 -2.394 -3.089 -6.636 1.00 0.00 C ATOM 1449 C ASP A 100 -2.654 -1.582 -6.516 1.00 0.00 C ATOM 1450 O ASP A 100 -3.422 -1.129 -5.686 1.00 0.00 O ATOM 1451 CB ASP A 100 -3.685 -3.865 -6.959 1.00 0.00 C ATOM 1452 CG ASP A 100 -3.391 -4.996 -7.955 1.00 0.00 C ATOM 1453 OD1 ASP A 100 -3.389 -4.726 -9.142 1.00 0.00 O ATOM 1454 OD2 ASP A 100 -3.169 -6.110 -7.507 1.00 0.00 O ATOM 0 H ASP A 100 -2.537 -3.694 -4.590 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.682 -3.237 -7.448 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -4.108 -4.278 -6.043 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -4.430 -3.188 -7.377 1.00 0.00 H new ATOM 1459 N VAL A 101 -1.995 -0.806 -7.342 1.00 0.00 N ATOM 1460 CA VAL A 101 -2.159 0.682 -7.316 1.00 0.00 C ATOM 1461 C VAL A 101 -3.001 1.131 -8.529 1.00 0.00 C ATOM 1462 O VAL A 101 -2.743 0.712 -9.643 1.00 0.00 O ATOM 1463 CB VAL A 101 -0.778 1.336 -7.384 1.00 0.00 C ATOM 1464 CG1 VAL A 101 -0.912 2.843 -7.152 1.00 0.00 C ATOM 1465 CG2 VAL A 101 0.116 0.735 -6.296 1.00 0.00 C ATOM 0 H VAL A 101 -1.339 -1.147 -8.045 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.665 0.980 -6.398 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.338 1.158 -8.365 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.073 3.308 -7.201 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.555 3.274 -7.920 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.350 3.022 -6.170 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.102 1.197 -6.339 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.328 0.918 -5.318 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.211 -0.339 -6.456 1.00 0.00 H new ATOM 1475 N PRO A 102 -4.008 1.961 -8.333 1.00 0.00 N ATOM 1476 CA PRO A 102 -4.895 2.442 -9.447 1.00 0.00 C ATOM 1477 C PRO A 102 -4.299 3.578 -10.292 1.00 0.00 C ATOM 1478 O PRO A 102 -3.175 4.004 -10.105 1.00 0.00 O ATOM 1479 CB PRO A 102 -6.123 2.966 -8.694 1.00 0.00 C ATOM 1480 CG PRO A 102 -5.575 3.473 -7.411 1.00 0.00 C ATOM 1481 CD PRO A 102 -4.432 2.531 -7.043 1.00 0.00 C ATOM 0 HA PRO A 102 -5.081 1.642 -10.164 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.625 3.756 -9.252 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.856 2.176 -8.530 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.218 4.498 -7.516 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.340 3.480 -6.635 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.616 3.065 -6.556 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.762 1.754 -6.353 1.00 0.00 H new ATOM 1489 N ASP A 103 -5.099 4.074 -11.194 1.00 0.00 N ATOM 1490 CA ASP A 103 -4.673 5.201 -12.072 1.00 0.00 C ATOM 1491 C ASP A 103 -4.920 6.508 -11.318 1.00 0.00 C ATOM 1492 O ASP A 103 -4.351 7.536 -11.627 1.00 0.00 O ATOM 1493 CB ASP A 103 -5.504 5.188 -13.354 1.00 0.00 C ATOM 1494 CG ASP A 103 -5.537 3.770 -13.928 1.00 0.00 C ATOM 1495 OD1 ASP A 103 -6.087 2.901 -13.265 1.00 0.00 O ATOM 1496 OD2 ASP A 103 -5.011 3.576 -15.012 1.00 0.00 O ATOM 0 H ASP A 103 -6.048 3.740 -11.363 1.00 0.00 H new ATOM 0 HA ASP A 103 -3.618 5.105 -12.331 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.518 5.531 -13.146 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -5.078 5.877 -14.083 1.00 0.00 H new ATOM 1501 N ARG A 104 -5.771 6.460 -10.324 1.00 0.00 N ATOM 1502 CA ARG A 104 -6.085 7.670 -9.511 1.00 0.00 C ATOM 1503 C ARG A 104 -5.863 7.277 -8.058 1.00 0.00 C ATOM 1504 O ARG A 104 -6.538 6.404 -7.559 1.00 0.00 O ATOM 1505 CB ARG A 104 -7.569 8.099 -9.704 1.00 0.00 C ATOM 1506 CG ARG A 104 -8.110 7.726 -11.119 1.00 0.00 C ATOM 1507 CD ARG A 104 -8.734 8.949 -11.791 1.00 0.00 C ATOM 1508 NE ARG A 104 -7.626 9.829 -12.250 1.00 0.00 N ATOM 1509 CZ ARG A 104 -7.874 10.889 -12.972 1.00 0.00 C ATOM 1510 NH1 ARG A 104 -9.103 11.214 -13.260 1.00 0.00 N ATOM 1511 NH2 ARG A 104 -6.881 11.623 -13.399 1.00 0.00 N ATOM 0 H ARG A 104 -6.269 5.617 -10.038 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.456 8.507 -9.812 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.186 7.621 -8.943 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -7.657 9.175 -9.555 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -7.298 7.339 -11.735 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -8.852 6.932 -11.034 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -9.356 8.646 -12.634 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.380 9.481 -11.093 1.00 0.00 H new ATOM 0 HE ARG A 104 -6.664 9.603 -11.999 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.875 10.640 -12.921 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -9.293 12.042 -13.824 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -5.921 11.367 -13.168 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -7.066 12.452 -13.963 1.00 0.00 H new ATOM 1525 N GLN A 105 -4.936 7.894 -7.369 1.00 0.00 N ATOM 1526 CA GLN A 105 -4.689 7.523 -5.946 1.00 0.00 C ATOM 1527 C GLN A 105 -4.662 8.795 -5.095 1.00 0.00 C ATOM 1528 O GLN A 105 -4.517 8.749 -3.892 1.00 0.00 O ATOM 1529 CB GLN A 105 -3.345 6.787 -5.833 1.00 0.00 C ATOM 1530 CG GLN A 105 -2.308 7.435 -6.757 1.00 0.00 C ATOM 1531 CD GLN A 105 -0.983 6.678 -6.648 1.00 0.00 C ATOM 1532 OE1 GLN A 105 -0.957 5.519 -6.041 1.00 0.00 O flip ATOM 1533 NE2 GLN A 105 0.039 7.145 -7.112 1.00 0.00 N flip ATOM 0 H GLN A 105 -4.341 8.638 -7.732 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.483 6.866 -5.591 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.992 6.815 -4.802 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.473 5.737 -6.098 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -2.664 7.420 -7.787 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.165 8.481 -6.484 1.00 0.00 H new ATOM 0 HE21 GLN A 105 0.018 8.048 -7.585 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.917 6.633 -7.028 1.00 0.00 H new ATOM 1542 N TRP A 106 -4.796 9.932 -5.724 1.00 0.00 N ATOM 1543 CA TRP A 106 -4.777 11.218 -4.966 1.00 0.00 C ATOM 1544 C TRP A 106 -3.411 11.364 -4.284 1.00 0.00 C ATOM 1545 O TRP A 106 -2.443 10.850 -4.818 1.00 0.00 O ATOM 1546 CB TRP A 106 -5.920 11.216 -3.913 1.00 0.00 C ATOM 1547 CG TRP A 106 -6.722 12.488 -3.982 1.00 0.00 C ATOM 1548 CD1 TRP A 106 -8.064 12.553 -3.818 1.00 0.00 C ATOM 1549 CD2 TRP A 106 -6.274 13.861 -4.214 1.00 0.00 C ATOM 1550 NE1 TRP A 106 -8.470 13.868 -3.944 1.00 0.00 N ATOM 1551 CE2 TRP A 106 -7.406 14.712 -4.187 1.00 0.00 C ATOM 1552 CE3 TRP A 106 -5.013 14.450 -4.445 1.00 0.00 C ATOM 1553 CZ2 TRP A 106 -7.294 16.089 -4.384 1.00 0.00 C ATOM 1554 CZ3 TRP A 106 -4.900 15.835 -4.642 1.00 0.00 C ATOM 1555 CH2 TRP A 106 -6.037 16.652 -4.610 1.00 0.00 C ATOM 1556 OXT TRP A 106 -3.358 11.987 -3.236 1.00 0.00 O ATOM 0 H TRP A 106 -4.918 10.026 -6.732 1.00 0.00 H new ATOM 0 HA TRP A 106 -4.933 12.060 -5.640 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -6.574 10.361 -4.083 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -5.499 11.102 -2.914 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -8.713 11.713 -3.620 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -9.439 14.177 -3.867 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -4.128 13.831 -4.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -8.174 16.715 -4.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -3.929 16.274 -4.820 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -5.941 17.717 -4.760 1.00 0.00 H new TER 1567 TRP A 106 HETATM 1568 FE1 FES A 107 -1.586 9.774 4.131 1.00 0.00 FE HETATM 1569 FE2 FES A 107 -1.509 7.090 3.953 1.00 0.00 FE HETATM 1570 S1 FES A 107 -2.991 8.323 5.014 1.00 0.00 S HETATM 1571 S2 FES A 107 -0.128 8.534 3.040 1.00 0.00 S