USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 403 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 6 CYS SG : rot -114:sc= 0.544 USER MOD Set 1.2: A 9 CYS SG : rot 180:sc= 0.76 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.914 (180deg=0.00713) USER MOD Single : A 2 THR OG1 : rot -160:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -100:sc= -0.0573 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 88:sc= 0.0205 USER MOD Single : A 32 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.28) USER MOD Single : A 38 CYS SG : rot 15:sc= 0.533 USER MOD Single : A 39 CYS SG : rot 130:sc= -0.943 USER MOD Single : A 42 CYS SG : rot 2:sc= 0.812 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -150:sc= -0.158 (180deg=-0.669) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0159) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.593 -1.646 1.039 1.00 0.00 N ATOM 2 CA MET A 1 2.197 -1.613 -0.287 1.00 0.00 C ATOM 3 C MET A 1 3.502 -2.403 -0.309 1.00 0.00 C ATOM 4 O MET A 1 4.154 -2.575 0.722 1.00 0.00 O ATOM 5 CB MET A 1 2.454 -0.168 -0.719 1.00 0.00 C ATOM 6 CG MET A 1 1.190 0.668 -0.825 1.00 0.00 C ATOM 7 SD MET A 1 0.764 1.482 0.727 1.00 0.00 S ATOM 8 CE MET A 1 1.319 3.153 0.397 1.00 0.00 C ATOM 0 H1 MET A 1 1.228 -0.702 1.278 1.00 0.00 H new ATOM 0 H2 MET A 1 0.811 -2.332 1.047 1.00 0.00 H new ATOM 0 H3 MET A 1 2.308 -1.928 1.739 1.00 0.00 H new ATOM 0 HA MET A 1 1.501 -2.075 -0.988 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.131 0.301 -0.005 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.960 -0.171 -1.684 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.321 1.421 -1.602 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.362 0.030 -1.136 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.123 3.780 1.267 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.389 3.146 0.188 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.783 3.551 -0.465 1.00 0.00 H new ATOM 18 N THR A 2 3.880 -2.881 -1.491 1.00 0.00 N ATOM 19 CA THR A 2 5.106 -3.654 -1.646 1.00 0.00 C ATOM 20 C THR A 2 6.282 -2.752 -2.004 1.00 0.00 C ATOM 21 O THR A 2 6.125 -1.769 -2.727 1.00 0.00 O ATOM 22 CB THR A 2 4.954 -4.736 -2.732 1.00 0.00 C ATOM 23 OG1 THR A 2 3.902 -5.640 -2.378 1.00 0.00 O ATOM 24 CG2 THR A 2 6.253 -5.507 -2.911 1.00 0.00 C ATOM 0 H THR A 2 3.354 -2.746 -2.355 1.00 0.00 H new ATOM 0 HA THR A 2 5.300 -4.136 -0.688 1.00 0.00 H new ATOM 0 HB THR A 2 4.708 -4.244 -3.673 1.00 0.00 H new ATOM 0 HG1 THR A 2 4.009 -6.478 -2.875 1.00 0.00 H new ATOM 0 HG21 THR A 2 6.122 -6.266 -3.683 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.046 -4.820 -3.208 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.523 -5.988 -1.971 1.00 0.00 H new ATOM 32 N ALA A 3 7.461 -3.094 -1.494 1.00 0.00 N ATOM 33 CA ALA A 3 8.664 -2.316 -1.763 1.00 0.00 C ATOM 34 C ALA A 3 9.910 -3.194 -1.701 1.00 0.00 C ATOM 35 O ALA A 3 10.242 -3.743 -0.651 1.00 0.00 O ATOM 36 CB ALA A 3 8.778 -1.163 -0.777 1.00 0.00 C ATOM 0 H ALA A 3 7.608 -3.904 -0.892 1.00 0.00 H new ATOM 0 HA ALA A 3 8.587 -1.910 -2.772 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.681 -0.590 -0.989 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.907 -0.515 -0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.828 -1.556 0.238 1.00 0.00 H new ATOM 42 N TYR A 4 10.594 -3.321 -2.832 1.00 0.00 N ATOM 43 CA TYR A 4 11.802 -4.134 -2.907 1.00 0.00 C ATOM 44 C TYR A 4 13.035 -3.261 -3.117 1.00 0.00 C ATOM 45 O TYR A 4 13.073 -2.429 -4.024 1.00 0.00 O ATOM 46 CB TYR A 4 11.686 -5.154 -4.041 1.00 0.00 C ATOM 47 CG TYR A 4 10.783 -6.322 -3.716 1.00 0.00 C ATOM 48 CD1 TYR A 4 11.247 -7.397 -2.967 1.00 0.00 C ATOM 49 CD2 TYR A 4 9.466 -6.352 -4.157 1.00 0.00 C ATOM 50 CE1 TYR A 4 10.426 -8.466 -2.667 1.00 0.00 C ATOM 51 CE2 TYR A 4 8.638 -7.417 -3.861 1.00 0.00 C ATOM 52 CZ TYR A 4 9.122 -8.472 -3.116 1.00 0.00 C ATOM 53 OH TYR A 4 8.300 -9.535 -2.821 1.00 0.00 O ATOM 0 H TYR A 4 10.333 -2.872 -3.710 1.00 0.00 H new ATOM 0 HA TYR A 4 11.912 -4.664 -1.961 1.00 0.00 H new ATOM 0 HB2 TYR A 4 11.310 -4.652 -4.932 1.00 0.00 H new ATOM 0 HB3 TYR A 4 12.680 -5.530 -4.283 1.00 0.00 H new ATOM 0 HD1 TYR A 4 12.267 -7.396 -2.613 1.00 0.00 H new ATOM 0 HD2 TYR A 4 9.083 -5.528 -4.741 1.00 0.00 H new ATOM 0 HE1 TYR A 4 10.803 -9.293 -2.084 1.00 0.00 H new ATOM 0 HE2 TYR A 4 7.616 -7.424 -4.211 1.00 0.00 H new ATOM 0 HH TYR A 4 7.414 -9.381 -3.211 1.00 0.00 H new ATOM 63 N ARG A 5 14.042 -3.458 -2.273 1.00 0.00 N ATOM 64 CA ARG A 5 15.278 -2.689 -2.364 1.00 0.00 C ATOM 65 C ARG A 5 16.492 -3.578 -2.112 1.00 0.00 C ATOM 66 O ARG A 5 16.797 -3.919 -0.968 1.00 0.00 O ATOM 67 CB ARG A 5 15.260 -1.534 -1.361 1.00 0.00 C ATOM 68 CG ARG A 5 16.512 -0.673 -1.401 1.00 0.00 C ATOM 69 CD ARG A 5 16.308 0.569 -2.254 1.00 0.00 C ATOM 70 NE ARG A 5 16.125 1.768 -1.440 1.00 0.00 N ATOM 71 CZ ARG A 5 15.844 2.963 -1.945 1.00 0.00 C ATOM 72 NH1 ARG A 5 15.713 3.119 -3.256 1.00 0.00 N ATOM 73 NH2 ARG A 5 15.692 4.007 -1.140 1.00 0.00 N ATOM 0 H ARG A 5 14.027 -4.144 -1.518 1.00 0.00 H new ATOM 0 HA ARG A 5 15.351 -2.283 -3.373 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.391 -0.906 -1.558 1.00 0.00 H new ATOM 0 HB3 ARG A 5 15.139 -1.939 -0.356 1.00 0.00 H new ATOM 0 HG2 ARG A 5 16.785 -0.379 -0.388 1.00 0.00 H new ATOM 0 HG3 ARG A 5 17.343 -1.256 -1.798 1.00 0.00 H new ATOM 0 HD2 ARG A 5 17.168 0.704 -2.910 1.00 0.00 H new ATOM 0 HD3 ARG A 5 15.437 0.430 -2.895 1.00 0.00 H new ATOM 0 HE ARG A 5 16.218 1.682 -0.428 1.00 0.00 H new ATOM 0 HH11 ARG A 5 15.828 2.319 -3.879 1.00 0.00 H new ATOM 0 HH12 ARG A 5 15.497 4.038 -3.641 1.00 0.00 H new ATOM 0 HH21 ARG A 5 15.791 3.892 -0.131 1.00 0.00 H new ATOM 0 HH22 ARG A 5 15.476 4.924 -1.530 1.00 0.00 H new ATOM 87 N CYS A 6 17.180 -3.949 -3.186 1.00 0.00 N ATOM 88 CA CYS A 6 18.360 -4.800 -3.081 1.00 0.00 C ATOM 89 C CYS A 6 19.307 -4.563 -4.253 1.00 0.00 C ATOM 90 O CYS A 6 19.245 -5.240 -5.280 1.00 0.00 O ATOM 91 CB CYS A 6 17.950 -6.272 -3.030 1.00 0.00 C ATOM 92 SG CYS A 6 19.233 -7.374 -2.391 1.00 0.00 S ATOM 0 H CYS A 6 16.941 -3.674 -4.139 1.00 0.00 H new ATOM 0 HA CYS A 6 18.881 -4.544 -2.159 1.00 0.00 H new ATOM 0 HB2 CYS A 6 17.060 -6.369 -2.408 1.00 0.00 H new ATOM 0 HB3 CYS A 6 17.674 -6.596 -4.033 1.00 0.00 H new ATOM 0 HG CYS A 6 19.632 -8.170 -3.338 1.00 0.00 H new ATOM 98 N PRO A 7 20.204 -3.577 -4.100 1.00 0.00 N ATOM 99 CA PRO A 7 21.180 -3.227 -5.136 1.00 0.00 C ATOM 100 C PRO A 7 22.246 -4.302 -5.315 1.00 0.00 C ATOM 101 O PRO A 7 23.050 -4.244 -6.245 1.00 0.00 O ATOM 102 CB PRO A 7 21.808 -1.934 -4.609 1.00 0.00 C ATOM 103 CG PRO A 7 21.630 -2.001 -3.132 1.00 0.00 C ATOM 104 CD PRO A 7 20.334 -2.729 -2.903 1.00 0.00 C ATOM 0 HA PRO A 7 20.714 -3.123 -6.116 1.00 0.00 H new ATOM 0 HB2 PRO A 7 22.862 -1.868 -4.878 1.00 0.00 H new ATOM 0 HB3 PRO A 7 21.316 -1.056 -5.028 1.00 0.00 H new ATOM 0 HG2 PRO A 7 22.461 -2.527 -2.662 1.00 0.00 H new ATOM 0 HG3 PRO A 7 21.598 -1.002 -2.697 1.00 0.00 H new ATOM 0 HD2 PRO A 7 20.363 -3.324 -1.990 1.00 0.00 H new ATOM 0 HD3 PRO A 7 19.496 -2.038 -2.807 1.00 0.00 H new ATOM 112 N VAL A 8 22.247 -5.284 -4.419 1.00 0.00 N ATOM 113 CA VAL A 8 23.213 -6.374 -4.479 1.00 0.00 C ATOM 114 C VAL A 8 22.944 -7.282 -5.673 1.00 0.00 C ATOM 115 O VAL A 8 23.823 -8.025 -6.111 1.00 0.00 O ATOM 116 CB VAL A 8 23.189 -7.217 -3.190 1.00 0.00 C ATOM 117 CG1 VAL A 8 24.227 -8.327 -3.259 1.00 0.00 C ATOM 118 CG2 VAL A 8 23.419 -6.335 -1.972 1.00 0.00 C ATOM 0 H VAL A 8 21.589 -5.347 -3.642 1.00 0.00 H new ATOM 0 HA VAL A 8 24.197 -5.919 -4.588 1.00 0.00 H new ATOM 0 HB VAL A 8 22.205 -7.677 -3.096 1.00 0.00 H new ATOM 0 HG11 VAL A 8 24.196 -8.912 -2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 8 24.011 -8.974 -4.109 1.00 0.00 H new ATOM 0 HG13 VAL A 8 25.219 -7.891 -3.378 1.00 0.00 H new ATOM 0 HG21 VAL A 8 23.399 -6.947 -1.070 1.00 0.00 H new ATOM 0 HG22 VAL A 8 24.389 -5.844 -2.056 1.00 0.00 H new ATOM 0 HG23 VAL A 8 22.634 -5.580 -1.916 1.00 0.00 H new ATOM 128 N CYS A 9 21.724 -7.217 -6.196 1.00 0.00 N ATOM 129 CA CYS A 9 21.338 -8.034 -7.340 1.00 0.00 C ATOM 130 C CYS A 9 20.975 -7.159 -8.535 1.00 0.00 C ATOM 131 O CYS A 9 21.502 -7.340 -9.633 1.00 0.00 O ATOM 132 CB CYS A 9 20.157 -8.935 -6.975 1.00 0.00 C ATOM 133 SG CYS A 9 20.102 -9.408 -5.231 1.00 0.00 S ATOM 0 H CYS A 9 20.986 -6.607 -5.845 1.00 0.00 H new ATOM 0 HA CYS A 9 22.190 -8.657 -7.614 1.00 0.00 H new ATOM 0 HB2 CYS A 9 19.230 -8.422 -7.231 1.00 0.00 H new ATOM 0 HB3 CYS A 9 20.201 -9.838 -7.584 1.00 0.00 H new ATOM 0 HG CYS A 9 19.068 -10.167 -5.020 1.00 0.00 H new ATOM 139 N ASP A 10 20.071 -6.211 -8.315 1.00 0.00 N ATOM 140 CA ASP A 10 19.636 -5.307 -9.374 1.00 0.00 C ATOM 141 C ASP A 10 19.099 -4.004 -8.790 1.00 0.00 C ATOM 142 O ASP A 10 18.758 -3.935 -7.609 1.00 0.00 O ATOM 143 CB ASP A 10 18.563 -5.975 -10.235 1.00 0.00 C ATOM 144 CG ASP A 10 17.271 -6.203 -9.476 1.00 0.00 C ATOM 145 OD1 ASP A 10 16.462 -5.256 -9.385 1.00 0.00 O ATOM 146 OD2 ASP A 10 17.068 -7.328 -8.973 1.00 0.00 O ATOM 0 H ASP A 10 19.625 -6.048 -7.412 1.00 0.00 H new ATOM 0 HA ASP A 10 20.499 -5.076 -9.998 1.00 0.00 H new ATOM 0 HB2 ASP A 10 18.363 -5.354 -11.108 1.00 0.00 H new ATOM 0 HB3 ASP A 10 18.939 -6.930 -10.602 1.00 0.00 H new ATOM 151 N TYR A 11 19.028 -2.973 -9.625 1.00 0.00 N ATOM 152 CA TYR A 11 18.536 -1.671 -9.191 1.00 0.00 C ATOM 153 C TYR A 11 17.250 -1.817 -8.383 1.00 0.00 C ATOM 154 O TYR A 11 16.536 -2.814 -8.502 1.00 0.00 O ATOM 155 CB TYR A 11 18.293 -0.766 -10.399 1.00 0.00 C ATOM 156 CG TYR A 11 19.560 -0.369 -11.123 1.00 0.00 C ATOM 157 CD1 TYR A 11 20.439 0.554 -10.570 1.00 0.00 C ATOM 158 CD2 TYR A 11 19.877 -0.916 -12.360 1.00 0.00 C ATOM 159 CE1 TYR A 11 21.598 0.920 -11.227 1.00 0.00 C ATOM 160 CE2 TYR A 11 21.034 -0.556 -13.024 1.00 0.00 C ATOM 161 CZ TYR A 11 21.891 0.362 -12.454 1.00 0.00 C ATOM 162 OH TYR A 11 23.044 0.723 -13.113 1.00 0.00 O ATOM 0 H TYR A 11 19.305 -3.014 -10.606 1.00 0.00 H new ATOM 0 HA TYR A 11 19.295 -1.218 -8.553 1.00 0.00 H new ATOM 0 HB2 TYR A 11 17.630 -1.277 -11.098 1.00 0.00 H new ATOM 0 HB3 TYR A 11 17.775 0.135 -10.069 1.00 0.00 H new ATOM 0 HD1 TYR A 11 20.212 0.993 -9.610 1.00 0.00 H new ATOM 0 HD2 TYR A 11 19.208 -1.635 -12.810 1.00 0.00 H new ATOM 0 HE1 TYR A 11 22.271 1.639 -10.783 1.00 0.00 H new ATOM 0 HE2 TYR A 11 21.266 -0.991 -13.985 1.00 0.00 H new ATOM 0 HH TYR A 11 23.101 0.238 -13.963 1.00 0.00 H new ATOM 172 N THR A 12 16.958 -0.813 -7.562 1.00 0.00 N ATOM 173 CA THR A 12 15.759 -0.827 -6.733 1.00 0.00 C ATOM 174 C THR A 12 14.719 0.159 -7.254 1.00 0.00 C ATOM 175 O THR A 12 15.038 1.308 -7.559 1.00 0.00 O ATOM 176 CB THR A 12 16.084 -0.486 -5.267 1.00 0.00 C ATOM 177 OG1 THR A 12 16.308 0.921 -5.130 1.00 0.00 O ATOM 178 CG2 THR A 12 17.313 -1.248 -4.794 1.00 0.00 C ATOM 0 H THR A 12 17.536 0.021 -7.453 1.00 0.00 H new ATOM 0 HA THR A 12 15.354 -1.838 -6.781 1.00 0.00 H new ATOM 0 HB THR A 12 15.234 -0.780 -4.651 1.00 0.00 H new ATOM 0 HG1 THR A 12 17.272 1.098 -5.107 1.00 0.00 H new ATOM 0 HG21 THR A 12 17.523 -0.991 -3.756 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.129 -2.320 -4.873 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.168 -0.980 -5.414 1.00 0.00 H new ATOM 186 N TYR A 13 13.476 -0.297 -7.352 1.00 0.00 N ATOM 187 CA TYR A 13 12.389 0.546 -7.838 1.00 0.00 C ATOM 188 C TYR A 13 11.068 0.168 -7.174 1.00 0.00 C ATOM 189 O TYR A 13 10.441 -0.827 -7.536 1.00 0.00 O ATOM 190 CB TYR A 13 12.262 0.425 -9.357 1.00 0.00 C ATOM 191 CG TYR A 13 13.524 0.795 -10.102 1.00 0.00 C ATOM 192 CD1 TYR A 13 13.976 2.109 -10.134 1.00 0.00 C ATOM 193 CD2 TYR A 13 14.267 -0.169 -10.773 1.00 0.00 C ATOM 194 CE1 TYR A 13 15.129 2.451 -10.814 1.00 0.00 C ATOM 195 CE2 TYR A 13 15.421 0.164 -11.454 1.00 0.00 C ATOM 196 CZ TYR A 13 15.848 1.476 -11.472 1.00 0.00 C ATOM 197 OH TYR A 13 16.997 1.813 -12.150 1.00 0.00 O ATOM 0 H TYR A 13 13.195 -1.245 -7.102 1.00 0.00 H new ATOM 0 HA TYR A 13 12.622 1.579 -7.581 1.00 0.00 H new ATOM 0 HB2 TYR A 13 11.988 -0.599 -9.610 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.448 1.066 -9.697 1.00 0.00 H new ATOM 0 HD1 TYR A 13 13.416 2.876 -9.619 1.00 0.00 H new ATOM 0 HD2 TYR A 13 13.936 -1.197 -10.762 1.00 0.00 H new ATOM 0 HE1 TYR A 13 15.465 3.477 -10.830 1.00 0.00 H new ATOM 0 HE2 TYR A 13 15.986 -0.598 -11.970 1.00 0.00 H new ATOM 0 HH TYR A 13 17.384 1.010 -12.558 1.00 0.00 H new ATOM 207 N ASP A 14 10.652 0.971 -6.200 1.00 0.00 N ATOM 208 CA ASP A 14 9.406 0.724 -5.486 1.00 0.00 C ATOM 209 C ASP A 14 8.202 0.984 -6.386 1.00 0.00 C ATOM 210 O ASP A 14 8.239 1.861 -7.248 1.00 0.00 O ATOM 211 CB ASP A 14 9.325 1.605 -4.238 1.00 0.00 C ATOM 212 CG ASP A 14 8.022 1.424 -3.485 1.00 0.00 C ATOM 213 OD1 ASP A 14 7.699 0.272 -3.127 1.00 0.00 O ATOM 214 OD2 ASP A 14 7.324 2.434 -3.254 1.00 0.00 O ATOM 0 H ASP A 14 11.160 1.798 -5.888 1.00 0.00 H new ATOM 0 HA ASP A 14 9.391 -0.323 -5.184 1.00 0.00 H new ATOM 0 HB2 ASP A 14 10.159 1.370 -3.577 1.00 0.00 H new ATOM 0 HB3 ASP A 14 9.432 2.650 -4.527 1.00 0.00 H new ATOM 219 N GLU A 15 7.138 0.215 -6.180 1.00 0.00 N ATOM 220 CA GLU A 15 5.924 0.361 -6.975 1.00 0.00 C ATOM 221 C GLU A 15 5.452 1.812 -6.984 1.00 0.00 C ATOM 222 O GLU A 15 5.288 2.417 -8.043 1.00 0.00 O ATOM 223 CB GLU A 15 4.818 -0.544 -6.430 1.00 0.00 C ATOM 224 CG GLU A 15 4.184 -1.434 -7.485 1.00 0.00 C ATOM 225 CD GLU A 15 2.858 -0.894 -7.985 1.00 0.00 C ATOM 226 OE1 GLU A 15 1.846 -1.054 -7.271 1.00 0.00 O ATOM 227 OE2 GLU A 15 2.833 -0.311 -9.089 1.00 0.00 O ATOM 0 H GLU A 15 7.092 -0.515 -5.470 1.00 0.00 H new ATOM 0 HA GLU A 15 6.153 0.065 -7.999 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.230 -1.170 -5.638 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.044 0.075 -5.977 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.869 -1.539 -8.326 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.033 -2.431 -7.071 1.00 0.00 H new ATOM 234 N GLY A 16 5.234 2.365 -5.795 1.00 0.00 N ATOM 235 CA GLY A 16 4.782 3.740 -5.687 1.00 0.00 C ATOM 236 C GLY A 16 5.736 4.717 -6.344 1.00 0.00 C ATOM 237 O GLY A 16 5.356 5.840 -6.676 1.00 0.00 O ATOM 0 H GLY A 16 5.362 1.885 -4.904 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.798 3.833 -6.147 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.668 4.000 -4.635 1.00 0.00 H new ATOM 241 N LYS A 17 6.980 4.291 -6.532 1.00 0.00 N ATOM 242 CA LYS A 17 7.993 5.136 -7.153 1.00 0.00 C ATOM 243 C LYS A 17 7.765 5.242 -8.658 1.00 0.00 C ATOM 244 O LYS A 17 7.797 6.333 -9.225 1.00 0.00 O ATOM 245 CB LYS A 17 9.391 4.578 -6.877 1.00 0.00 C ATOM 246 CG LYS A 17 10.503 5.593 -7.084 1.00 0.00 C ATOM 247 CD LYS A 17 10.625 6.536 -5.898 1.00 0.00 C ATOM 248 CE LYS A 17 11.471 7.753 -6.239 1.00 0.00 C ATOM 249 NZ LYS A 17 12.913 7.407 -6.371 1.00 0.00 N ATOM 0 H LYS A 17 7.311 3.365 -6.263 1.00 0.00 H new ATOM 0 HA LYS A 17 7.914 6.133 -6.720 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.431 4.212 -5.851 1.00 0.00 H new ATOM 0 HB3 LYS A 17 9.566 3.722 -7.528 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.449 5.072 -7.235 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.308 6.168 -7.989 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.632 6.858 -5.584 1.00 0.00 H new ATOM 0 HD3 LYS A 17 11.070 6.007 -5.055 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.116 8.192 -7.171 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.349 8.509 -5.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.456 8.263 -6.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.259 7.011 -5.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 13.034 6.704 -7.128 1.00 0.00 H new ATOM 263 N GLY A 18 7.533 4.100 -9.299 1.00 0.00 N ATOM 264 CA GLY A 18 7.302 4.087 -10.731 1.00 0.00 C ATOM 265 C GLY A 18 8.572 3.841 -11.521 1.00 0.00 C ATOM 266 O GLY A 18 8.877 2.703 -11.880 1.00 0.00 O ATOM 0 H GLY A 18 7.501 3.184 -8.852 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.573 3.313 -10.971 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.868 5.040 -11.035 1.00 0.00 H new ATOM 270 N ASP A 19 9.313 4.909 -11.795 1.00 0.00 N ATOM 271 CA ASP A 19 10.557 4.803 -12.549 1.00 0.00 C ATOM 272 C ASP A 19 10.294 4.297 -13.964 1.00 0.00 C ATOM 273 O ASP A 19 10.583 3.149 -14.302 1.00 0.00 O ATOM 274 CB ASP A 19 11.534 3.870 -11.833 1.00 0.00 C ATOM 275 CG ASP A 19 12.929 3.928 -12.424 1.00 0.00 C ATOM 276 OD1 ASP A 19 13.611 4.956 -12.233 1.00 0.00 O ATOM 277 OD2 ASP A 19 13.338 2.947 -13.080 1.00 0.00 O ATOM 0 H ASP A 19 9.074 5.858 -11.506 1.00 0.00 H new ATOM 0 HA ASP A 19 10.999 5.797 -12.615 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.579 4.137 -10.777 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.162 2.847 -11.888 1.00 0.00 H new ATOM 282 N PRO A 20 9.732 5.172 -14.811 1.00 0.00 N ATOM 283 CA PRO A 20 9.417 4.836 -16.203 1.00 0.00 C ATOM 284 C PRO A 20 10.669 4.665 -17.055 1.00 0.00 C ATOM 285 O PRO A 20 10.612 4.116 -18.156 1.00 0.00 O ATOM 286 CB PRO A 20 8.603 6.040 -16.683 1.00 0.00 C ATOM 287 CG PRO A 20 9.043 7.166 -15.813 1.00 0.00 C ATOM 288 CD PRO A 20 9.361 6.557 -14.475 1.00 0.00 C ATOM 0 HA PRO A 20 8.887 3.887 -16.284 1.00 0.00 H new ATOM 0 HB2 PRO A 20 8.795 6.254 -17.734 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.533 5.859 -16.585 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.917 7.664 -16.232 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.260 7.918 -15.723 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.177 7.082 -13.978 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.503 6.592 -13.803 1.00 0.00 H new ATOM 296 N ARG A 21 11.799 5.139 -16.540 1.00 0.00 N ATOM 297 CA ARG A 21 13.066 5.039 -17.256 1.00 0.00 C ATOM 298 C ARG A 21 13.420 3.581 -17.534 1.00 0.00 C ATOM 299 O ARG A 21 14.111 3.275 -18.504 1.00 0.00 O ATOM 300 CB ARG A 21 14.184 5.702 -16.450 1.00 0.00 C ATOM 301 CG ARG A 21 14.357 7.182 -16.751 1.00 0.00 C ATOM 302 CD ARG A 21 13.448 8.036 -15.882 1.00 0.00 C ATOM 303 NE ARG A 21 13.451 9.436 -16.298 1.00 0.00 N ATOM 304 CZ ARG A 21 12.753 9.898 -17.329 1.00 0.00 C ATOM 305 NH1 ARG A 21 11.999 9.075 -18.045 1.00 0.00 N ATOM 306 NH2 ARG A 21 12.807 11.185 -17.646 1.00 0.00 N ATOM 0 H ARG A 21 11.863 5.596 -15.630 1.00 0.00 H new ATOM 0 HA ARG A 21 12.958 5.556 -18.209 1.00 0.00 H new ATOM 0 HB2 ARG A 21 13.977 5.578 -15.387 1.00 0.00 H new ATOM 0 HB3 ARG A 21 15.122 5.186 -16.654 1.00 0.00 H new ATOM 0 HG2 ARG A 21 15.395 7.469 -16.586 1.00 0.00 H new ATOM 0 HG3 ARG A 21 14.138 7.369 -17.802 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.431 7.646 -15.928 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.769 7.966 -14.843 1.00 0.00 H new ATOM 0 HE ARG A 21 14.021 10.095 -15.767 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.954 8.085 -17.804 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.464 9.432 -18.836 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.385 11.821 -17.098 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.270 11.538 -18.438 1.00 0.00 H new ATOM 320 N GLU A 22 12.940 2.687 -16.675 1.00 0.00 N ATOM 321 CA GLU A 22 13.208 1.261 -16.828 1.00 0.00 C ATOM 322 C GLU A 22 12.062 0.568 -17.559 1.00 0.00 C ATOM 323 O GLU A 22 11.838 -0.630 -17.391 1.00 0.00 O ATOM 324 CB GLU A 22 13.422 0.610 -15.460 1.00 0.00 C ATOM 325 CG GLU A 22 14.842 0.747 -14.936 1.00 0.00 C ATOM 326 CD GLU A 22 15.876 0.207 -15.905 1.00 0.00 C ATOM 327 OE1 GLU A 22 15.682 -0.918 -16.411 1.00 0.00 O ATOM 328 OE2 GLU A 22 16.878 0.907 -16.156 1.00 0.00 O ATOM 0 H GLU A 22 12.364 2.924 -15.867 1.00 0.00 H new ATOM 0 HA GLU A 22 14.115 1.149 -17.421 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.734 1.057 -14.743 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.169 -0.448 -15.527 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.051 1.798 -14.735 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.928 0.218 -13.987 1.00 0.00 H new ATOM 335 N GLY A 23 11.338 1.332 -18.372 1.00 0.00 N ATOM 336 CA GLY A 23 10.224 0.775 -19.117 1.00 0.00 C ATOM 337 C GLY A 23 9.067 0.380 -18.220 1.00 0.00 C ATOM 338 O GLY A 23 8.205 -0.404 -18.616 1.00 0.00 O ATOM 0 H GLY A 23 11.503 2.326 -18.528 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.879 1.505 -19.849 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.563 -0.099 -19.673 1.00 0.00 H new ATOM 342 N PHE A 24 9.049 0.922 -17.007 1.00 0.00 N ATOM 343 CA PHE A 24 7.991 0.620 -16.050 1.00 0.00 C ATOM 344 C PHE A 24 7.482 1.893 -15.381 1.00 0.00 C ATOM 345 O PHE A 24 7.913 2.267 -14.290 1.00 0.00 O ATOM 346 CB PHE A 24 8.498 -0.359 -14.989 1.00 0.00 C ATOM 347 CG PHE A 24 9.042 -1.636 -15.563 1.00 0.00 C ATOM 348 CD1 PHE A 24 8.306 -2.366 -16.483 1.00 0.00 C ATOM 349 CD2 PHE A 24 10.288 -2.107 -15.184 1.00 0.00 C ATOM 350 CE1 PHE A 24 8.804 -3.542 -17.012 1.00 0.00 C ATOM 351 CE2 PHE A 24 10.792 -3.282 -15.709 1.00 0.00 C ATOM 352 CZ PHE A 24 10.048 -4.000 -16.626 1.00 0.00 C ATOM 0 H PHE A 24 9.755 1.573 -16.663 1.00 0.00 H new ATOM 0 HA PHE A 24 7.165 0.161 -16.593 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.277 0.126 -14.401 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.683 -0.596 -14.305 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.333 -2.012 -16.790 1.00 0.00 H new ATOM 0 HD2 PHE A 24 10.874 -1.549 -14.469 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.220 -4.102 -17.727 1.00 0.00 H new ATOM 0 HE2 PHE A 24 11.765 -3.638 -15.403 1.00 0.00 H new ATOM 0 HZ PHE A 24 10.439 -4.918 -17.040 1.00 0.00 H new ATOM 362 N PRO A 25 6.542 2.577 -16.051 1.00 0.00 N ATOM 363 CA PRO A 25 5.953 3.819 -15.541 1.00 0.00 C ATOM 364 C PRO A 25 5.057 3.582 -14.330 1.00 0.00 C ATOM 365 O PRO A 25 4.889 2.448 -13.884 1.00 0.00 O ATOM 366 CB PRO A 25 5.129 4.333 -16.724 1.00 0.00 C ATOM 367 CG PRO A 25 4.805 3.114 -17.518 1.00 0.00 C ATOM 368 CD PRO A 25 5.981 2.191 -17.356 1.00 0.00 C ATOM 0 HA PRO A 25 6.714 4.520 -15.198 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.224 4.838 -16.386 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.693 5.053 -17.317 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.889 2.646 -17.158 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.645 3.362 -18.567 1.00 0.00 H new ATOM 0 HD2 PRO A 25 5.675 1.145 -17.368 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.707 2.320 -18.159 1.00 0.00 H new ATOM 376 N ALA A 26 4.484 4.659 -13.804 1.00 0.00 N ATOM 377 CA ALA A 26 3.603 4.567 -12.646 1.00 0.00 C ATOM 378 C ALA A 26 2.511 3.527 -12.868 1.00 0.00 C ATOM 379 O ALA A 26 1.815 3.550 -13.882 1.00 0.00 O ATOM 380 CB ALA A 26 2.987 5.925 -12.342 1.00 0.00 C ATOM 0 H ALA A 26 4.614 5.606 -14.161 1.00 0.00 H new ATOM 0 HA ALA A 26 4.200 4.251 -11.791 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.332 5.841 -11.475 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.778 6.644 -12.131 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.409 6.263 -13.202 1.00 0.00 H new ATOM 386 N GLY A 27 2.368 2.613 -11.913 1.00 0.00 N ATOM 387 CA GLY A 27 1.359 1.575 -12.025 1.00 0.00 C ATOM 388 C GLY A 27 1.962 0.195 -12.187 1.00 0.00 C ATOM 389 O GLY A 27 1.460 -0.781 -11.629 1.00 0.00 O ATOM 0 H GLY A 27 2.932 2.573 -11.064 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.727 1.590 -11.137 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.715 1.789 -12.878 1.00 0.00 H new ATOM 393 N THR A 28 3.044 0.110 -12.956 1.00 0.00 N ATOM 394 CA THR A 28 3.715 -1.162 -13.193 1.00 0.00 C ATOM 395 C THR A 28 4.073 -1.848 -11.879 1.00 0.00 C ATOM 396 O THR A 28 4.966 -1.402 -11.159 1.00 0.00 O ATOM 397 CB THR A 28 4.997 -0.974 -14.027 1.00 0.00 C ATOM 398 OG1 THR A 28 4.673 -0.405 -15.300 1.00 0.00 O ATOM 399 CG2 THR A 28 5.712 -2.302 -14.226 1.00 0.00 C ATOM 0 H THR A 28 3.474 0.907 -13.425 1.00 0.00 H new ATOM 0 HA THR A 28 3.017 -1.789 -13.749 1.00 0.00 H new ATOM 0 HB THR A 28 5.661 -0.300 -13.486 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.664 0.572 -15.229 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.614 -2.145 -14.817 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.982 -2.719 -13.256 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.053 -2.996 -14.748 1.00 0.00 H new ATOM 407 N ARG A 29 3.372 -2.935 -11.574 1.00 0.00 N ATOM 408 CA ARG A 29 3.616 -3.682 -10.347 1.00 0.00 C ATOM 409 C ARG A 29 4.876 -4.534 -10.470 1.00 0.00 C ATOM 410 O ARG A 29 5.206 -5.018 -11.553 1.00 0.00 O ATOM 411 CB ARG A 29 2.416 -4.572 -10.019 1.00 0.00 C ATOM 412 CG ARG A 29 1.093 -3.824 -9.988 1.00 0.00 C ATOM 413 CD ARG A 29 0.051 -4.569 -9.170 1.00 0.00 C ATOM 414 NE ARG A 29 -1.305 -4.112 -9.464 1.00 0.00 N ATOM 415 CZ ARG A 29 -1.945 -4.388 -10.595 1.00 0.00 C ATOM 416 NH1 ARG A 29 -1.355 -5.116 -11.533 1.00 0.00 N ATOM 417 NH2 ARG A 29 -3.177 -3.936 -10.789 1.00 0.00 N ATOM 0 H ARG A 29 2.630 -3.318 -12.160 1.00 0.00 H new ATOM 0 HA ARG A 29 3.760 -2.966 -9.538 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.355 -5.371 -10.758 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.579 -5.045 -9.051 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.245 -2.830 -9.567 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.728 -3.686 -11.006 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.126 -5.637 -9.374 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.258 -4.432 -8.109 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.787 -3.550 -8.762 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.408 -5.465 -11.387 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.848 -5.327 -12.401 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.634 -3.376 -10.069 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.667 -4.149 -11.658 1.00 0.00 H new ATOM 431 N TRP A 30 5.575 -4.712 -9.355 1.00 0.00 N ATOM 432 CA TRP A 30 6.799 -5.505 -9.339 1.00 0.00 C ATOM 433 C TRP A 30 6.565 -6.881 -9.954 1.00 0.00 C ATOM 434 O TRP A 30 7.409 -7.395 -10.688 1.00 0.00 O ATOM 435 CB TRP A 30 7.316 -5.654 -7.907 1.00 0.00 C ATOM 436 CG TRP A 30 6.267 -6.120 -6.943 1.00 0.00 C ATOM 437 CD1 TRP A 30 5.432 -5.336 -6.199 1.00 0.00 C ATOM 438 CD2 TRP A 30 5.944 -7.476 -6.617 1.00 0.00 C ATOM 439 NE1 TRP A 30 4.609 -6.123 -5.430 1.00 0.00 N ATOM 440 CE2 TRP A 30 4.903 -7.440 -5.669 1.00 0.00 C ATOM 441 CE3 TRP A 30 6.431 -8.717 -7.035 1.00 0.00 C ATOM 442 CZ2 TRP A 30 4.343 -8.597 -5.134 1.00 0.00 C ATOM 443 CZ3 TRP A 30 5.875 -9.865 -6.503 1.00 0.00 C ATOM 444 CH2 TRP A 30 4.840 -9.799 -5.561 1.00 0.00 C ATOM 0 H TRP A 30 5.316 -4.318 -8.451 1.00 0.00 H new ATOM 0 HA TRP A 30 7.548 -4.984 -9.936 1.00 0.00 H new ATOM 0 HB2 TRP A 30 8.146 -6.361 -7.900 1.00 0.00 H new ATOM 0 HB3 TRP A 30 7.710 -4.696 -7.569 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.420 -4.256 -6.213 1.00 0.00 H new ATOM 0 HE1 TRP A 30 3.895 -5.782 -4.786 1.00 0.00 H new ATOM 0 HE3 TRP A 30 7.228 -8.778 -7.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.545 -8.548 -4.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 6.245 -10.829 -6.819 1.00 0.00 H new ATOM 0 HH2 TRP A 30 4.426 -10.714 -5.164 1.00 0.00 H new ATOM 455 N ASP A 31 5.415 -7.472 -9.650 1.00 0.00 N ATOM 456 CA ASP A 31 5.069 -8.788 -10.174 1.00 0.00 C ATOM 457 C ASP A 31 5.097 -8.790 -11.699 1.00 0.00 C ATOM 458 O ASP A 31 5.374 -9.814 -12.322 1.00 0.00 O ATOM 459 CB ASP A 31 3.686 -9.212 -9.676 1.00 0.00 C ATOM 460 CG ASP A 31 3.351 -10.643 -10.047 1.00 0.00 C ATOM 461 OD1 ASP A 31 3.889 -11.565 -9.399 1.00 0.00 O ATOM 462 OD2 ASP A 31 2.552 -10.841 -10.986 1.00 0.00 O ATOM 0 H ASP A 31 4.706 -7.060 -9.043 1.00 0.00 H new ATOM 0 HA ASP A 31 5.810 -9.501 -9.814 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.643 -9.101 -8.592 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.932 -8.545 -10.094 1.00 0.00 H new ATOM 467 N GLN A 32 4.807 -7.636 -12.293 1.00 0.00 N ATOM 468 CA GLN A 32 4.797 -7.506 -13.745 1.00 0.00 C ATOM 469 C GLN A 32 6.188 -7.750 -14.323 1.00 0.00 C ATOM 470 O GLN A 32 6.328 -8.262 -15.434 1.00 0.00 O ATOM 471 CB GLN A 32 4.299 -6.118 -14.151 1.00 0.00 C ATOM 472 CG GLN A 32 3.693 -6.072 -15.544 1.00 0.00 C ATOM 473 CD GLN A 32 2.445 -6.924 -15.665 1.00 0.00 C ATOM 474 OE1 GLN A 32 2.390 -7.854 -16.470 1.00 0.00 O ATOM 475 NE2 GLN A 32 1.434 -6.611 -14.863 1.00 0.00 N ATOM 0 H GLN A 32 4.576 -6.779 -11.791 1.00 0.00 H new ATOM 0 HA GLN A 32 4.119 -8.259 -14.147 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.555 -5.783 -13.429 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.130 -5.414 -14.102 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.450 -5.040 -15.797 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.432 -6.412 -16.269 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.523 -5.832 -14.211 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.569 -7.150 -14.899 1.00 0.00 H new ATOM 484 N ILE A 33 7.212 -7.379 -13.562 1.00 0.00 N ATOM 485 CA ILE A 33 8.591 -7.558 -13.999 1.00 0.00 C ATOM 486 C ILE A 33 8.844 -8.993 -14.447 1.00 0.00 C ATOM 487 O ILE A 33 8.474 -9.954 -13.773 1.00 0.00 O ATOM 488 CB ILE A 33 9.587 -7.198 -12.880 1.00 0.00 C ATOM 489 CG1 ILE A 33 9.350 -5.765 -12.398 1.00 0.00 C ATOM 490 CG2 ILE A 33 11.017 -7.367 -13.370 1.00 0.00 C ATOM 491 CD1 ILE A 33 10.282 -5.340 -11.285 1.00 0.00 C ATOM 0 H ILE A 33 7.113 -6.953 -12.641 1.00 0.00 H new ATOM 0 HA ILE A 33 8.745 -6.885 -14.842 1.00 0.00 H new ATOM 0 HB ILE A 33 9.428 -7.875 -12.041 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.468 -5.083 -13.240 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.320 -5.672 -12.054 1.00 0.00 H new ATOM 0 HG21 ILE A 33 11.709 -7.109 -12.568 1.00 0.00 H new ATOM 0 HG22 ILE A 33 11.179 -8.402 -13.670 1.00 0.00 H new ATOM 0 HG23 ILE A 33 11.189 -6.711 -14.223 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.057 -4.314 -10.994 1.00 0.00 H new ATOM 0 HD12 ILE A 33 10.148 -5.999 -10.427 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.314 -5.401 -11.631 1.00 0.00 H new ATOM 503 N PRO A 34 9.492 -9.144 -15.612 1.00 0.00 N ATOM 504 CA PRO A 34 9.812 -10.459 -16.175 1.00 0.00 C ATOM 505 C PRO A 34 10.883 -11.188 -15.373 1.00 0.00 C ATOM 506 O PRO A 34 11.993 -10.684 -15.198 1.00 0.00 O ATOM 507 CB PRO A 34 10.327 -10.128 -17.578 1.00 0.00 C ATOM 508 CG PRO A 34 10.841 -8.734 -17.474 1.00 0.00 C ATOM 509 CD PRO A 34 9.962 -8.042 -16.468 1.00 0.00 C ATOM 0 HA PRO A 34 8.950 -11.126 -16.169 1.00 0.00 H new ATOM 0 HB2 PRO A 34 11.113 -10.818 -17.884 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.531 -10.202 -18.319 1.00 0.00 H new ATOM 0 HG2 PRO A 34 11.883 -8.725 -17.153 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.800 -8.230 -18.440 1.00 0.00 H new ATOM 0 HD2 PRO A 34 10.515 -7.297 -15.896 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.132 -7.524 -16.948 1.00 0.00 H new ATOM 517 N ASP A 35 10.545 -12.378 -14.887 1.00 0.00 N ATOM 518 CA ASP A 35 11.479 -13.178 -14.104 1.00 0.00 C ATOM 519 C ASP A 35 12.634 -13.670 -14.972 1.00 0.00 C ATOM 520 O ASP A 35 13.653 -14.134 -14.461 1.00 0.00 O ATOM 521 CB ASP A 35 10.758 -14.368 -13.470 1.00 0.00 C ATOM 522 CG ASP A 35 9.944 -15.156 -14.478 1.00 0.00 C ATOM 523 OD1 ASP A 35 8.825 -14.714 -14.812 1.00 0.00 O ATOM 524 OD2 ASP A 35 10.427 -16.213 -14.934 1.00 0.00 O ATOM 0 H ASP A 35 9.631 -12.809 -15.022 1.00 0.00 H new ATOM 0 HA ASP A 35 11.885 -12.547 -13.314 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.491 -15.027 -13.004 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.101 -14.011 -12.677 1.00 0.00 H new ATOM 529 N ASP A 36 12.465 -13.567 -16.286 1.00 0.00 N ATOM 530 CA ASP A 36 13.492 -14.001 -17.225 1.00 0.00 C ATOM 531 C ASP A 36 14.604 -12.962 -17.333 1.00 0.00 C ATOM 532 O ASP A 36 15.702 -13.261 -17.802 1.00 0.00 O ATOM 533 CB ASP A 36 12.879 -14.255 -18.603 1.00 0.00 C ATOM 534 CG ASP A 36 13.755 -15.135 -19.473 1.00 0.00 C ATOM 535 OD1 ASP A 36 14.353 -16.091 -18.937 1.00 0.00 O ATOM 536 OD2 ASP A 36 13.843 -14.867 -20.690 1.00 0.00 O ATOM 0 H ASP A 36 11.626 -13.187 -16.725 1.00 0.00 H new ATOM 0 HA ASP A 36 13.922 -14.930 -16.851 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.903 -14.725 -18.482 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.714 -13.302 -19.105 1.00 0.00 H new ATOM 541 N TRP A 37 14.312 -11.743 -16.896 1.00 0.00 N ATOM 542 CA TRP A 37 15.287 -10.659 -16.945 1.00 0.00 C ATOM 543 C TRP A 37 16.604 -11.083 -16.304 1.00 0.00 C ATOM 544 O TRP A 37 16.620 -11.637 -15.204 1.00 0.00 O ATOM 545 CB TRP A 37 14.738 -9.419 -16.237 1.00 0.00 C ATOM 546 CG TRP A 37 15.127 -8.134 -16.904 1.00 0.00 C ATOM 547 CD1 TRP A 37 16.059 -7.236 -16.470 1.00 0.00 C ATOM 548 CD2 TRP A 37 14.592 -7.604 -18.122 1.00 0.00 C ATOM 549 NE1 TRP A 37 16.136 -6.179 -17.345 1.00 0.00 N ATOM 550 CE2 TRP A 37 15.247 -6.382 -18.367 1.00 0.00 C ATOM 551 CE3 TRP A 37 13.626 -8.045 -19.030 1.00 0.00 C ATOM 552 CZ2 TRP A 37 14.964 -5.596 -19.481 1.00 0.00 C ATOM 553 CZ3 TRP A 37 13.346 -7.264 -20.135 1.00 0.00 C ATOM 554 CH2 TRP A 37 14.014 -6.052 -20.354 1.00 0.00 C ATOM 0 H TRP A 37 13.408 -11.480 -16.504 1.00 0.00 H new ATOM 0 HA TRP A 37 15.474 -10.419 -17.992 1.00 0.00 H new ATOM 0 HB2 TRP A 37 13.651 -9.484 -16.196 1.00 0.00 H new ATOM 0 HB3 TRP A 37 15.096 -9.409 -15.207 1.00 0.00 H new ATOM 0 HD1 TRP A 37 16.649 -7.341 -15.571 1.00 0.00 H new ATOM 0 HE1 TRP A 37 16.755 -5.374 -17.249 1.00 0.00 H new ATOM 0 HE3 TRP A 37 13.108 -8.979 -18.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 15.476 -4.660 -19.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 12.599 -7.594 -20.842 1.00 0.00 H new ATOM 0 HH2 TRP A 37 13.774 -5.466 -21.229 1.00 0.00 H new ATOM 565 N CYS A 38 17.706 -10.820 -16.999 1.00 0.00 N ATOM 566 CA CYS A 38 19.028 -11.176 -16.497 1.00 0.00 C ATOM 567 C CYS A 38 19.784 -9.936 -16.030 1.00 0.00 C ATOM 568 O CYS A 38 19.715 -8.881 -16.660 1.00 0.00 O ATOM 569 CB CYS A 38 19.830 -11.899 -17.580 1.00 0.00 C ATOM 570 SG CYS A 38 18.951 -13.276 -18.355 1.00 0.00 S ATOM 0 H CYS A 38 17.710 -10.362 -17.910 1.00 0.00 H new ATOM 0 HA CYS A 38 18.899 -11.843 -15.645 1.00 0.00 H new ATOM 0 HB2 CYS A 38 20.109 -11.181 -18.351 1.00 0.00 H new ATOM 0 HB3 CYS A 38 20.756 -12.273 -17.143 1.00 0.00 H new ATOM 0 HG CYS A 38 17.686 -13.202 -18.065 1.00 0.00 H new ATOM 576 N CYS A 39 20.503 -10.071 -14.921 1.00 0.00 N ATOM 577 CA CYS A 39 21.270 -8.961 -14.367 1.00 0.00 C ATOM 578 C CYS A 39 22.711 -9.378 -14.095 1.00 0.00 C ATOM 579 O CYS A 39 23.037 -10.563 -14.019 1.00 0.00 O ATOM 580 CB CYS A 39 20.619 -8.457 -13.078 1.00 0.00 C ATOM 581 SG CYS A 39 19.674 -6.929 -13.275 1.00 0.00 S ATOM 0 H CYS A 39 20.571 -10.938 -14.388 1.00 0.00 H new ATOM 0 HA CYS A 39 21.277 -8.155 -15.100 1.00 0.00 H new ATOM 0 HB2 CYS A 39 19.958 -9.232 -12.690 1.00 0.00 H new ATOM 0 HB3 CYS A 39 21.396 -8.297 -12.330 1.00 0.00 H new ATOM 0 HG CYS A 39 18.494 -7.078 -12.751 1.00 0.00 H new ATOM 587 N PRO A 40 23.597 -8.382 -13.945 1.00 0.00 N ATOM 588 CA PRO A 40 25.019 -8.621 -13.681 1.00 0.00 C ATOM 589 C PRO A 40 25.263 -9.179 -12.282 1.00 0.00 C ATOM 590 O PRO A 40 25.965 -10.176 -12.115 1.00 0.00 O ATOM 591 CB PRO A 40 25.644 -7.231 -13.818 1.00 0.00 C ATOM 592 CG PRO A 40 24.533 -6.285 -13.520 1.00 0.00 C ATOM 593 CD PRO A 40 23.280 -6.947 -14.023 1.00 0.00 C ATOM 0 HA PRO A 40 25.441 -9.362 -14.360 1.00 0.00 H new ATOM 0 HB2 PRO A 40 26.473 -7.100 -13.123 1.00 0.00 H new ATOM 0 HB3 PRO A 40 26.041 -7.072 -14.821 1.00 0.00 H new ATOM 0 HG2 PRO A 40 24.467 -6.085 -12.450 1.00 0.00 H new ATOM 0 HG3 PRO A 40 24.693 -5.327 -14.014 1.00 0.00 H new ATOM 0 HD2 PRO A 40 22.417 -6.692 -13.408 1.00 0.00 H new ATOM 0 HD3 PRO A 40 23.046 -6.642 -15.043 1.00 0.00 H new ATOM 601 N ASP A 41 24.678 -8.530 -11.282 1.00 0.00 N ATOM 602 CA ASP A 41 24.830 -8.963 -9.897 1.00 0.00 C ATOM 603 C ASP A 41 23.855 -10.090 -9.570 1.00 0.00 C ATOM 604 O ASP A 41 24.253 -11.141 -9.065 1.00 0.00 O ATOM 605 CB ASP A 41 24.607 -7.787 -8.946 1.00 0.00 C ATOM 606 CG ASP A 41 25.059 -6.467 -9.540 1.00 0.00 C ATOM 607 OD1 ASP A 41 26.256 -6.137 -9.408 1.00 0.00 O ATOM 608 OD2 ASP A 41 24.216 -5.765 -10.136 1.00 0.00 O ATOM 0 H ASP A 41 24.094 -7.702 -11.404 1.00 0.00 H new ATOM 0 HA ASP A 41 25.846 -9.337 -9.768 1.00 0.00 H new ATOM 0 HB2 ASP A 41 23.549 -7.724 -8.692 1.00 0.00 H new ATOM 0 HB3 ASP A 41 25.147 -7.968 -8.017 1.00 0.00 H new ATOM 613 N CYS A 42 22.578 -9.863 -9.859 1.00 0.00 N ATOM 614 CA CYS A 42 21.546 -10.859 -9.593 1.00 0.00 C ATOM 615 C CYS A 42 21.886 -12.187 -10.263 1.00 0.00 C ATOM 616 O CYS A 42 21.404 -13.242 -9.852 1.00 0.00 O ATOM 617 CB CYS A 42 20.187 -10.359 -10.085 1.00 0.00 C ATOM 618 SG CYS A 42 18.781 -11.308 -9.460 1.00 0.00 S ATOM 0 H CYS A 42 22.233 -8.999 -10.277 1.00 0.00 H new ATOM 0 HA CYS A 42 21.498 -11.018 -8.516 1.00 0.00 H new ATOM 0 HB2 CYS A 42 20.067 -9.316 -9.791 1.00 0.00 H new ATOM 0 HB3 CYS A 42 20.175 -10.386 -11.175 1.00 0.00 H new ATOM 0 HG CYS A 42 19.208 -12.240 -8.661 1.00 0.00 H new ATOM 624 N SER A 43 22.717 -12.125 -11.299 1.00 0.00 N ATOM 625 CA SER A 43 23.117 -13.322 -12.030 1.00 0.00 C ATOM 626 C SER A 43 23.608 -14.404 -11.073 1.00 0.00 C ATOM 627 O SER A 43 23.446 -15.597 -11.332 1.00 0.00 O ATOM 628 CB SER A 43 24.214 -12.984 -13.042 1.00 0.00 C ATOM 629 OG SER A 43 25.124 -14.061 -13.186 1.00 0.00 O ATOM 0 H SER A 43 23.126 -11.259 -11.651 1.00 0.00 H new ATOM 0 HA SER A 43 22.245 -13.701 -12.563 1.00 0.00 H new ATOM 0 HB2 SER A 43 23.764 -12.753 -14.007 1.00 0.00 H new ATOM 0 HB3 SER A 43 24.750 -12.092 -12.718 1.00 0.00 H new ATOM 0 HG SER A 43 25.814 -13.821 -13.839 1.00 0.00 H new ATOM 635 N VAL A 44 24.208 -13.979 -9.966 1.00 0.00 N ATOM 636 CA VAL A 44 24.722 -14.911 -8.969 1.00 0.00 C ATOM 637 C VAL A 44 24.011 -14.732 -7.633 1.00 0.00 C ATOM 638 O VAL A 44 24.532 -15.116 -6.585 1.00 0.00 O ATOM 639 CB VAL A 44 26.238 -14.730 -8.761 1.00 0.00 C ATOM 640 CG1 VAL A 44 27.011 -15.293 -9.943 1.00 0.00 C ATOM 641 CG2 VAL A 44 26.574 -13.262 -8.545 1.00 0.00 C ATOM 0 H VAL A 44 24.350 -12.995 -9.737 1.00 0.00 H new ATOM 0 HA VAL A 44 24.532 -15.916 -9.346 1.00 0.00 H new ATOM 0 HB VAL A 44 26.533 -15.283 -7.869 1.00 0.00 H new ATOM 0 HG11 VAL A 44 28.080 -15.156 -9.778 1.00 0.00 H new ATOM 0 HG12 VAL A 44 26.793 -16.356 -10.047 1.00 0.00 H new ATOM 0 HG13 VAL A 44 26.715 -14.771 -10.853 1.00 0.00 H new ATOM 0 HG21 VAL A 44 27.649 -13.152 -8.400 1.00 0.00 H new ATOM 0 HG22 VAL A 44 26.265 -12.686 -9.417 1.00 0.00 H new ATOM 0 HG23 VAL A 44 26.049 -12.895 -7.663 1.00 0.00 H new ATOM 651 N ARG A 45 22.819 -14.148 -7.676 1.00 0.00 N ATOM 652 CA ARG A 45 22.036 -13.918 -6.468 1.00 0.00 C ATOM 653 C ARG A 45 20.550 -14.139 -6.733 1.00 0.00 C ATOM 654 O ARG A 45 19.955 -13.473 -7.579 1.00 0.00 O ATOM 655 CB ARG A 45 22.266 -12.498 -5.948 1.00 0.00 C ATOM 656 CG ARG A 45 23.354 -12.405 -4.891 1.00 0.00 C ATOM 657 CD ARG A 45 24.718 -12.153 -5.515 1.00 0.00 C ATOM 658 NE ARG A 45 25.576 -11.349 -4.649 1.00 0.00 N ATOM 659 CZ ARG A 45 26.631 -10.670 -5.085 1.00 0.00 C ATOM 660 NH1 ARG A 45 26.955 -10.697 -6.370 1.00 0.00 N ATOM 661 NH2 ARG A 45 27.363 -9.961 -4.235 1.00 0.00 N ATOM 0 H ARG A 45 22.374 -13.825 -8.535 1.00 0.00 H new ATOM 0 HA ARG A 45 22.363 -14.632 -5.712 1.00 0.00 H new ATOM 0 HB2 ARG A 45 22.529 -11.852 -6.785 1.00 0.00 H new ATOM 0 HB3 ARG A 45 21.333 -12.117 -5.532 1.00 0.00 H new ATOM 0 HG2 ARG A 45 23.118 -11.601 -4.194 1.00 0.00 H new ATOM 0 HG3 ARG A 45 23.382 -13.329 -4.314 1.00 0.00 H new ATOM 0 HD2 ARG A 45 25.204 -13.107 -5.722 1.00 0.00 H new ATOM 0 HD3 ARG A 45 24.591 -11.646 -6.471 1.00 0.00 H new ATOM 0 HE ARG A 45 25.353 -11.307 -3.655 1.00 0.00 H new ATOM 0 HH11 ARG A 45 26.394 -11.240 -7.026 1.00 0.00 H new ATOM 0 HH12 ARG A 45 27.766 -10.175 -6.703 1.00 0.00 H new ATOM 0 HH21 ARG A 45 27.116 -9.937 -3.246 1.00 0.00 H new ATOM 0 HH22 ARG A 45 28.173 -9.440 -4.571 1.00 0.00 H new ATOM 675 N GLU A 46 19.957 -15.080 -6.003 1.00 0.00 N ATOM 676 CA GLU A 46 18.541 -15.389 -6.161 1.00 0.00 C ATOM 677 C GLU A 46 17.689 -14.134 -6.001 1.00 0.00 C ATOM 678 O GLU A 46 17.972 -13.279 -5.161 1.00 0.00 O ATOM 679 CB GLU A 46 18.110 -16.445 -5.141 1.00 0.00 C ATOM 680 CG GLU A 46 18.241 -17.871 -5.648 1.00 0.00 C ATOM 681 CD GLU A 46 18.392 -18.878 -4.525 1.00 0.00 C ATOM 682 OE1 GLU A 46 19.460 -18.891 -3.879 1.00 0.00 O ATOM 683 OE2 GLU A 46 17.441 -19.654 -4.293 1.00 0.00 O ATOM 0 H GLU A 46 20.435 -15.640 -5.298 1.00 0.00 H new ATOM 0 HA GLU A 46 18.391 -15.783 -7.166 1.00 0.00 H new ATOM 0 HB2 GLU A 46 18.711 -16.333 -4.239 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.073 -16.263 -4.858 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.362 -18.124 -6.242 1.00 0.00 H new ATOM 0 HG3 GLU A 46 19.104 -17.939 -6.311 1.00 0.00 H new ATOM 690 N LYS A 47 16.643 -14.029 -6.814 1.00 0.00 N ATOM 691 CA LYS A 47 15.747 -12.879 -6.764 1.00 0.00 C ATOM 692 C LYS A 47 15.098 -12.754 -5.389 1.00 0.00 C ATOM 693 O LYS A 47 14.744 -11.657 -4.956 1.00 0.00 O ATOM 694 CB LYS A 47 14.666 -13.002 -7.841 1.00 0.00 C ATOM 695 CG LYS A 47 14.255 -11.670 -8.444 1.00 0.00 C ATOM 696 CD LYS A 47 13.974 -11.795 -9.932 1.00 0.00 C ATOM 697 CE LYS A 47 12.791 -10.935 -10.350 1.00 0.00 C ATOM 698 NZ LYS A 47 11.532 -11.359 -9.677 1.00 0.00 N ATOM 0 H LYS A 47 16.395 -14.726 -7.516 1.00 0.00 H new ATOM 0 HA LYS A 47 16.337 -11.982 -6.950 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.029 -13.655 -8.635 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.788 -13.483 -7.410 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.366 -11.298 -7.935 1.00 0.00 H new ATOM 0 HG3 LYS A 47 15.045 -10.937 -8.282 1.00 0.00 H new ATOM 0 HD2 LYS A 47 14.858 -11.499 -10.496 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.773 -12.837 -10.179 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.998 -9.892 -10.110 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.663 -10.994 -11.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.721 -11.152 -10.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.568 -12.380 -9.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.426 -10.841 -8.781 1.00 0.00 H new ATOM 712 N VAL A 48 14.946 -13.884 -4.707 1.00 0.00 N ATOM 713 CA VAL A 48 14.342 -13.901 -3.380 1.00 0.00 C ATOM 714 C VAL A 48 15.297 -13.337 -2.334 1.00 0.00 C ATOM 715 O VAL A 48 14.908 -13.086 -1.194 1.00 0.00 O ATOM 716 CB VAL A 48 13.931 -15.327 -2.968 1.00 0.00 C ATOM 717 CG1 VAL A 48 15.160 -16.202 -2.776 1.00 0.00 C ATOM 718 CG2 VAL A 48 13.088 -15.293 -1.702 1.00 0.00 C ATOM 0 H VAL A 48 15.233 -14.800 -5.051 1.00 0.00 H new ATOM 0 HA VAL A 48 13.451 -13.275 -3.430 1.00 0.00 H new ATOM 0 HB VAL A 48 13.328 -15.758 -3.767 1.00 0.00 H new ATOM 0 HG11 VAL A 48 14.850 -17.206 -2.485 1.00 0.00 H new ATOM 0 HG12 VAL A 48 15.721 -16.252 -3.709 1.00 0.00 H new ATOM 0 HG13 VAL A 48 15.791 -15.777 -1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 48 12.806 -16.309 -1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 48 13.664 -14.843 -0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 48 12.189 -14.703 -1.879 1.00 0.00 H new ATOM 728 N ASP A 49 16.550 -13.139 -2.731 1.00 0.00 N ATOM 729 CA ASP A 49 17.562 -12.602 -1.828 1.00 0.00 C ATOM 730 C ASP A 49 17.193 -11.194 -1.374 1.00 0.00 C ATOM 731 O ASP A 49 17.690 -10.708 -0.358 1.00 0.00 O ATOM 732 CB ASP A 49 18.930 -12.589 -2.512 1.00 0.00 C ATOM 733 CG ASP A 49 19.435 -13.984 -2.824 1.00 0.00 C ATOM 734 OD1 ASP A 49 18.776 -14.960 -2.409 1.00 0.00 O ATOM 735 OD2 ASP A 49 20.491 -14.100 -3.481 1.00 0.00 O ATOM 0 H ASP A 49 16.889 -13.342 -3.671 1.00 0.00 H new ATOM 0 HA ASP A 49 17.609 -13.246 -0.950 1.00 0.00 H new ATOM 0 HB2 ASP A 49 18.866 -12.014 -3.436 1.00 0.00 H new ATOM 0 HB3 ASP A 49 19.649 -12.081 -1.870 1.00 0.00 H new ATOM 740 N PHE A 50 16.318 -10.542 -2.134 1.00 0.00 N ATOM 741 CA PHE A 50 15.884 -9.188 -1.810 1.00 0.00 C ATOM 742 C PHE A 50 15.378 -9.108 -0.373 1.00 0.00 C ATOM 743 O PHE A 50 15.215 -10.128 0.296 1.00 0.00 O ATOM 744 CB PHE A 50 14.785 -8.738 -2.775 1.00 0.00 C ATOM 745 CG PHE A 50 15.307 -8.004 -3.977 1.00 0.00 C ATOM 746 CD1 PHE A 50 16.101 -8.651 -4.910 1.00 0.00 C ATOM 747 CD2 PHE A 50 15.005 -6.666 -4.173 1.00 0.00 C ATOM 748 CE1 PHE A 50 16.583 -7.978 -6.017 1.00 0.00 C ATOM 749 CE2 PHE A 50 15.483 -5.988 -5.279 1.00 0.00 C ATOM 750 CZ PHE A 50 16.274 -6.644 -6.201 1.00 0.00 C ATOM 0 H PHE A 50 15.896 -10.930 -2.978 1.00 0.00 H new ATOM 0 HA PHE A 50 16.742 -8.524 -1.912 1.00 0.00 H new ATOM 0 HB2 PHE A 50 14.225 -9.612 -3.108 1.00 0.00 H new ATOM 0 HB3 PHE A 50 14.085 -8.094 -2.242 1.00 0.00 H new ATOM 0 HD1 PHE A 50 16.346 -9.694 -4.771 1.00 0.00 H new ATOM 0 HD2 PHE A 50 14.389 -6.147 -3.454 1.00 0.00 H new ATOM 0 HE1 PHE A 50 17.200 -8.494 -6.737 1.00 0.00 H new ATOM 0 HE2 PHE A 50 15.238 -4.946 -5.422 1.00 0.00 H new ATOM 0 HZ PHE A 50 16.650 -6.115 -7.064 1.00 0.00 H new ATOM 760 N GLU A 51 15.131 -7.888 0.094 1.00 0.00 N ATOM 761 CA GLU A 51 14.645 -7.675 1.452 1.00 0.00 C ATOM 762 C GLU A 51 13.557 -6.606 1.479 1.00 0.00 C ATOM 763 O GLU A 51 13.833 -5.420 1.297 1.00 0.00 O ATOM 764 CB GLU A 51 15.798 -7.268 2.373 1.00 0.00 C ATOM 765 CG GLU A 51 16.982 -8.219 2.322 1.00 0.00 C ATOM 766 CD GLU A 51 17.770 -8.239 3.617 1.00 0.00 C ATOM 767 OE1 GLU A 51 17.426 -9.045 4.507 1.00 0.00 O ATOM 768 OE2 GLU A 51 18.730 -7.450 3.741 1.00 0.00 O ATOM 0 H GLU A 51 15.259 -7.033 -0.448 1.00 0.00 H new ATOM 0 HA GLU A 51 14.218 -8.613 1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 51 16.134 -6.268 2.100 1.00 0.00 H new ATOM 0 HB3 GLU A 51 15.431 -7.213 3.398 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.626 -9.225 2.102 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.642 -7.929 1.504 1.00 0.00 H new ATOM 775 N ARG A 52 12.320 -7.034 1.707 1.00 0.00 N ATOM 776 CA ARG A 52 11.190 -6.115 1.756 1.00 0.00 C ATOM 777 C ARG A 52 11.377 -5.081 2.863 1.00 0.00 C ATOM 778 O ARG A 52 11.745 -5.422 3.987 1.00 0.00 O ATOM 779 CB ARG A 52 9.887 -6.886 1.978 1.00 0.00 C ATOM 780 CG ARG A 52 9.745 -7.449 3.383 1.00 0.00 C ATOM 781 CD ARG A 52 8.511 -8.329 3.508 1.00 0.00 C ATOM 782 NE ARG A 52 8.401 -8.933 4.833 1.00 0.00 N ATOM 783 CZ ARG A 52 7.673 -10.014 5.090 1.00 0.00 C ATOM 784 NH1 ARG A 52 6.994 -10.606 4.117 1.00 0.00 N ATOM 785 NH2 ARG A 52 7.624 -10.505 6.321 1.00 0.00 N ATOM 0 H ARG A 52 12.075 -8.012 1.861 1.00 0.00 H new ATOM 0 HA ARG A 52 11.137 -5.593 0.801 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.044 -6.226 1.773 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.832 -7.705 1.260 1.00 0.00 H new ATOM 0 HG2 ARG A 52 10.633 -8.028 3.636 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.684 -6.630 4.100 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.620 -7.735 3.306 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.548 -9.115 2.753 1.00 0.00 H new ATOM 0 HE ARG A 52 8.911 -8.501 5.603 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.030 -10.231 3.169 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.436 -11.436 4.317 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.146 -10.053 7.072 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.065 -11.335 6.517 1.00 0.00 H new ATOM 799 N MET A 53 11.122 -3.819 2.536 1.00 0.00 N ATOM 800 CA MET A 53 11.262 -2.736 3.503 1.00 0.00 C ATOM 801 C MET A 53 9.922 -2.415 4.157 1.00 0.00 C ATOM 802 O MET A 53 8.899 -2.314 3.481 1.00 0.00 O ATOM 803 CB MET A 53 11.824 -1.486 2.823 1.00 0.00 C ATOM 804 CG MET A 53 13.196 -1.696 2.204 1.00 0.00 C ATOM 805 SD MET A 53 14.530 -1.567 3.410 1.00 0.00 S ATOM 806 CE MET A 53 15.459 -0.189 2.740 1.00 0.00 C ATOM 0 H MET A 53 10.817 -3.521 1.609 1.00 0.00 H new ATOM 0 HA MET A 53 11.956 -3.062 4.278 1.00 0.00 H new ATOM 0 HB2 MET A 53 11.130 -1.161 2.047 1.00 0.00 H new ATOM 0 HB3 MET A 53 11.884 -0.680 3.555 1.00 0.00 H new ATOM 0 HG2 MET A 53 13.231 -2.678 1.733 1.00 0.00 H new ATOM 0 HG3 MET A 53 13.351 -0.959 1.416 1.00 0.00 H new ATOM 0 HE1 MET A 53 16.319 0.014 3.378 1.00 0.00 H new ATOM 0 HE2 MET A 53 15.802 -0.436 1.735 1.00 0.00 H new ATOM 0 HE3 MET A 53 14.821 0.694 2.699 1.00 0.00 H new ATOM 816 N GLY A 54 9.935 -2.256 5.477 1.00 0.00 N ATOM 817 CA GLY A 54 8.715 -1.948 6.200 1.00 0.00 C ATOM 818 C GLY A 54 7.960 -3.194 6.620 1.00 0.00 C ATOM 819 O GLY A 54 7.686 -4.069 5.800 1.00 0.00 O ATOM 0 H GLY A 54 10.769 -2.335 6.059 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.959 -1.359 7.084 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.071 -1.330 5.574 1.00 0.00 H new ATOM 823 N GLY A 55 7.625 -3.276 7.904 1.00 0.00 N ATOM 824 CA GLY A 55 6.902 -4.428 8.410 1.00 0.00 C ATOM 825 C GLY A 55 5.987 -4.077 9.567 1.00 0.00 C ATOM 826 O GLY A 55 6.414 -4.052 10.721 1.00 0.00 O ATOM 0 H GLY A 55 7.841 -2.565 8.603 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.312 -4.865 7.604 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.615 -5.187 8.732 1.00 0.00 H new ATOM 830 N LYS A 56 4.725 -3.803 9.257 1.00 0.00 N ATOM 831 CA LYS A 56 3.745 -3.450 10.279 1.00 0.00 C ATOM 832 C LYS A 56 2.954 -4.678 10.720 1.00 0.00 C ATOM 833 O LYS A 56 1.766 -4.802 10.423 1.00 0.00 O ATOM 834 CB LYS A 56 2.791 -2.378 9.750 1.00 0.00 C ATOM 835 CG LYS A 56 3.310 -0.961 9.926 1.00 0.00 C ATOM 836 CD LYS A 56 2.423 0.050 9.219 1.00 0.00 C ATOM 837 CE LYS A 56 1.299 0.534 10.123 1.00 0.00 C ATOM 838 NZ LYS A 56 1.781 1.523 11.126 1.00 0.00 N ATOM 0 H LYS A 56 4.356 -3.818 8.306 1.00 0.00 H new ATOM 0 HA LYS A 56 4.281 -3.056 11.142 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.606 -2.559 8.691 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.833 -2.471 10.262 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.362 -0.721 10.988 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.325 -0.893 9.534 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.024 0.900 8.897 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.001 -0.400 8.321 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.514 0.985 9.516 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.854 -0.318 10.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.203 1.454 11.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.775 1.325 11.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.703 2.483 10.733 1.00 0.00 H new TER 852 LYS A 56