USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=14 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 149:sc= 0.0486 (180deg=-0.222) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot -125:sc= 0.892 USER MOD Single : A 9 CYS SG : rot 149:sc= -4.31! USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 62:sc= 0.591 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 91:sc= 0.495 USER MOD Single : A 32 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.33) USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 130:sc= -0.878 USER MOD Single : A 42 CYS SG : rot 13:sc= 1.04 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 147:sc= 0.411 (180deg=0.236) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.928 -0.542 1.442 1.00 0.00 N ATOM 2 CA MET A 1 2.396 -0.841 0.094 1.00 0.00 C ATOM 3 C MET A 1 3.638 -1.726 0.134 1.00 0.00 C ATOM 4 O MET A 1 4.323 -1.807 1.155 1.00 0.00 O ATOM 5 CB MET A 1 2.702 0.453 -0.662 1.00 0.00 C ATOM 6 CG MET A 1 3.489 1.464 0.157 1.00 0.00 C ATOM 7 SD MET A 1 4.434 2.604 -0.871 1.00 0.00 S ATOM 8 CE MET A 1 3.976 4.175 -0.143 1.00 0.00 C ATOM 0 H1 MET A 1 1.480 0.396 1.454 1.00 0.00 H new ATOM 0 H2 MET A 1 1.236 -1.260 1.736 1.00 0.00 H new ATOM 0 H3 MET A 1 2.734 -0.549 2.099 1.00 0.00 H new ATOM 0 HA MET A 1 1.604 -1.379 -0.427 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.264 0.213 -1.565 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.764 0.908 -0.982 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.802 2.031 0.785 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.168 0.935 0.825 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.482 4.983 -0.672 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.897 4.311 -0.220 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.270 4.189 0.907 1.00 0.00 H new ATOM 18 N THR A 2 3.924 -2.388 -0.983 1.00 0.00 N ATOM 19 CA THR A 2 5.083 -3.267 -1.075 1.00 0.00 C ATOM 20 C THR A 2 6.302 -2.517 -1.597 1.00 0.00 C ATOM 21 O THR A 2 6.185 -1.644 -2.457 1.00 0.00 O ATOM 22 CB THR A 2 4.802 -4.471 -1.993 1.00 0.00 C ATOM 23 OG1 THR A 2 3.740 -5.264 -1.451 1.00 0.00 O ATOM 24 CG2 THR A 2 6.049 -5.328 -2.157 1.00 0.00 C ATOM 0 H THR A 2 3.369 -2.332 -1.837 1.00 0.00 H new ATOM 0 HA THR A 2 5.287 -3.628 -0.067 1.00 0.00 H new ATOM 0 HB THR A 2 4.508 -4.093 -2.972 1.00 0.00 H new ATOM 0 HG1 THR A 2 3.567 -6.026 -2.042 1.00 0.00 H new ATOM 0 HG21 THR A 2 5.827 -6.173 -2.809 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.847 -4.729 -2.597 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.368 -5.697 -1.182 1.00 0.00 H new ATOM 32 N ALA A 3 7.474 -2.863 -1.073 1.00 0.00 N ATOM 33 CA ALA A 3 8.716 -2.224 -1.489 1.00 0.00 C ATOM 34 C ALA A 3 9.899 -3.174 -1.342 1.00 0.00 C ATOM 35 O ALA A 3 10.243 -3.586 -0.233 1.00 0.00 O ATOM 36 CB ALA A 3 8.952 -0.955 -0.683 1.00 0.00 C ATOM 0 H ALA A 3 7.589 -3.583 -0.359 1.00 0.00 H new ATOM 0 HA ALA A 3 8.625 -1.961 -2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.883 -0.488 -1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 3 8.125 -0.263 -0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.017 -1.204 0.376 1.00 0.00 H new ATOM 42 N TYR A 4 10.517 -3.520 -2.465 1.00 0.00 N ATOM 43 CA TYR A 4 11.660 -4.426 -2.461 1.00 0.00 C ATOM 44 C TYR A 4 12.939 -3.690 -2.850 1.00 0.00 C ATOM 45 O TYR A 4 13.024 -3.095 -3.924 1.00 0.00 O ATOM 46 CB TYR A 4 11.417 -5.592 -3.421 1.00 0.00 C ATOM 47 CG TYR A 4 10.541 -6.680 -2.843 1.00 0.00 C ATOM 48 CD1 TYR A 4 11.092 -7.739 -2.133 1.00 0.00 C ATOM 49 CD2 TYR A 4 9.162 -6.649 -3.008 1.00 0.00 C ATOM 50 CE1 TYR A 4 10.296 -8.736 -1.603 1.00 0.00 C ATOM 51 CE2 TYR A 4 8.357 -7.641 -2.481 1.00 0.00 C ATOM 52 CZ TYR A 4 8.929 -8.682 -1.780 1.00 0.00 C ATOM 53 OH TYR A 4 8.131 -9.672 -1.254 1.00 0.00 O ATOM 0 H TYR A 4 10.246 -3.187 -3.390 1.00 0.00 H new ATOM 0 HA TYR A 4 11.779 -4.816 -1.450 1.00 0.00 H new ATOM 0 HB2 TYR A 4 10.955 -5.211 -4.332 1.00 0.00 H new ATOM 0 HB3 TYR A 4 12.377 -6.023 -3.706 1.00 0.00 H new ATOM 0 HD1 TYR A 4 12.162 -7.784 -1.993 1.00 0.00 H new ATOM 0 HD2 TYR A 4 8.711 -5.836 -3.558 1.00 0.00 H new ATOM 0 HE1 TYR A 4 10.741 -9.552 -1.054 1.00 0.00 H new ATOM 0 HE2 TYR A 4 7.286 -7.601 -2.617 1.00 0.00 H new ATOM 0 HH TYR A 4 7.193 -9.484 -1.467 1.00 0.00 H new ATOM 63 N ARG A 5 13.932 -3.736 -1.967 1.00 0.00 N ATOM 64 CA ARG A 5 15.207 -3.075 -2.216 1.00 0.00 C ATOM 65 C ARG A 5 16.371 -4.029 -1.971 1.00 0.00 C ATOM 66 O ARG A 5 16.633 -4.426 -0.835 1.00 0.00 O ATOM 67 CB ARG A 5 15.348 -1.841 -1.323 1.00 0.00 C ATOM 68 CG ARG A 5 16.736 -1.222 -1.354 1.00 0.00 C ATOM 69 CD ARG A 5 16.673 0.271 -1.638 1.00 0.00 C ATOM 70 NE ARG A 5 16.689 1.062 -0.411 1.00 0.00 N ATOM 71 CZ ARG A 5 16.450 2.369 -0.375 1.00 0.00 C ATOM 72 NH1 ARG A 5 16.177 3.027 -1.493 1.00 0.00 N ATOM 73 NH2 ARG A 5 16.482 3.019 0.781 1.00 0.00 N ATOM 0 H ARG A 5 13.878 -4.224 -1.073 1.00 0.00 H new ATOM 0 HA ARG A 5 15.229 -2.764 -3.260 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.619 -1.093 -1.634 1.00 0.00 H new ATOM 0 HB3 ARG A 5 15.105 -2.116 -0.297 1.00 0.00 H new ATOM 0 HG2 ARG A 5 17.233 -1.391 -0.399 1.00 0.00 H new ATOM 0 HG3 ARG A 5 17.338 -1.714 -2.118 1.00 0.00 H new ATOM 0 HD2 ARG A 5 17.518 0.557 -2.265 1.00 0.00 H new ATOM 0 HD3 ARG A 5 15.768 0.495 -2.202 1.00 0.00 H new ATOM 0 HE ARG A 5 16.895 0.585 0.467 1.00 0.00 H new ATOM 0 HH11 ARG A 5 16.150 2.530 -2.383 1.00 0.00 H new ATOM 0 HH12 ARG A 5 15.994 4.030 -1.463 1.00 0.00 H new ATOM 0 HH21 ARG A 5 16.690 2.516 1.643 1.00 0.00 H new ATOM 0 HH22 ARG A 5 16.298 4.022 0.807 1.00 0.00 H new ATOM 87 N CYS A 6 17.066 -4.394 -3.043 1.00 0.00 N ATOM 88 CA CYS A 6 18.203 -5.303 -2.945 1.00 0.00 C ATOM 89 C CYS A 6 19.195 -5.056 -4.077 1.00 0.00 C ATOM 90 O CYS A 6 19.134 -5.681 -5.136 1.00 0.00 O ATOM 91 CB CYS A 6 17.725 -6.755 -2.976 1.00 0.00 C ATOM 92 SG CYS A 6 17.959 -7.643 -1.419 1.00 0.00 S ATOM 0 H CYS A 6 16.862 -4.074 -3.990 1.00 0.00 H new ATOM 0 HA CYS A 6 18.707 -5.115 -1.997 1.00 0.00 H new ATOM 0 HB2 CYS A 6 16.667 -6.772 -3.236 1.00 0.00 H new ATOM 0 HB3 CYS A 6 18.256 -7.284 -3.767 1.00 0.00 H new ATOM 0 HG CYS A 6 18.647 -8.724 -1.635 1.00 0.00 H new ATOM 98 N PRO A 7 20.132 -4.124 -3.850 1.00 0.00 N ATOM 99 CA PRO A 7 21.155 -3.772 -4.839 1.00 0.00 C ATOM 100 C PRO A 7 22.175 -4.888 -5.040 1.00 0.00 C ATOM 101 O PRO A 7 22.914 -4.898 -6.024 1.00 0.00 O ATOM 102 CB PRO A 7 21.826 -2.538 -4.232 1.00 0.00 C ATOM 103 CG PRO A 7 21.600 -2.666 -2.766 1.00 0.00 C ATOM 104 CD PRO A 7 20.265 -3.341 -2.610 1.00 0.00 C ATOM 0 HA PRO A 7 20.725 -3.598 -5.826 1.00 0.00 H new ATOM 0 HB2 PRO A 7 22.890 -2.510 -4.467 1.00 0.00 H new ATOM 0 HB3 PRO A 7 21.389 -1.618 -4.621 1.00 0.00 H new ATOM 0 HG2 PRO A 7 22.391 -3.253 -2.299 1.00 0.00 H new ATOM 0 HG3 PRO A 7 21.602 -1.688 -2.284 1.00 0.00 H new ATOM 0 HD2 PRO A 7 20.238 -3.979 -1.727 1.00 0.00 H new ATOM 0 HD3 PRO A 7 19.458 -2.616 -2.504 1.00 0.00 H new ATOM 112 N VAL A 8 22.209 -5.829 -4.101 1.00 0.00 N ATOM 113 CA VAL A 8 23.137 -6.950 -4.175 1.00 0.00 C ATOM 114 C VAL A 8 22.900 -7.777 -5.434 1.00 0.00 C ATOM 115 O VAL A 8 23.772 -8.530 -5.868 1.00 0.00 O ATOM 116 CB VAL A 8 23.013 -7.865 -2.942 1.00 0.00 C ATOM 117 CG1 VAL A 8 23.584 -7.181 -1.710 1.00 0.00 C ATOM 118 CG2 VAL A 8 21.561 -8.261 -2.718 1.00 0.00 C ATOM 0 H VAL A 8 21.604 -5.836 -3.280 1.00 0.00 H new ATOM 0 HA VAL A 8 24.141 -6.528 -4.204 1.00 0.00 H new ATOM 0 HB VAL A 8 23.590 -8.772 -3.124 1.00 0.00 H new ATOM 0 HG11 VAL A 8 23.488 -7.842 -0.849 1.00 0.00 H new ATOM 0 HG12 VAL A 8 24.637 -6.952 -1.876 1.00 0.00 H new ATOM 0 HG13 VAL A 8 23.038 -6.257 -1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 8 21.491 -8.907 -1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 8 20.960 -7.366 -2.557 1.00 0.00 H new ATOM 0 HG23 VAL A 8 21.190 -8.794 -3.593 1.00 0.00 H new ATOM 128 N CYS A 9 21.714 -7.632 -6.016 1.00 0.00 N ATOM 129 CA CYS A 9 21.361 -8.366 -7.226 1.00 0.00 C ATOM 130 C CYS A 9 21.094 -7.410 -8.383 1.00 0.00 C ATOM 131 O CYS A 9 21.728 -7.499 -9.435 1.00 0.00 O ATOM 132 CB CYS A 9 20.131 -9.240 -6.976 1.00 0.00 C ATOM 133 SG CYS A 9 19.970 -9.818 -5.270 1.00 0.00 S ATOM 0 H CYS A 9 20.981 -7.013 -5.669 1.00 0.00 H new ATOM 0 HA CYS A 9 22.203 -9.004 -7.493 1.00 0.00 H new ATOM 0 HB2 CYS A 9 19.237 -8.676 -7.243 1.00 0.00 H new ATOM 0 HB3 CYS A 9 20.172 -10.104 -7.639 1.00 0.00 H new ATOM 0 HG CYS A 9 18.711 -9.947 -4.973 1.00 0.00 H new ATOM 139 N ASP A 10 20.150 -6.496 -8.183 1.00 0.00 N ATOM 140 CA ASP A 10 19.798 -5.523 -9.211 1.00 0.00 C ATOM 141 C ASP A 10 19.190 -4.270 -8.588 1.00 0.00 C ATOM 142 O ASP A 10 18.741 -4.290 -7.441 1.00 0.00 O ATOM 143 CB ASP A 10 18.818 -6.138 -10.211 1.00 0.00 C ATOM 144 CG ASP A 10 17.454 -6.394 -9.601 1.00 0.00 C ATOM 145 OD1 ASP A 10 16.614 -5.470 -9.616 1.00 0.00 O ATOM 146 OD2 ASP A 10 17.226 -7.519 -9.109 1.00 0.00 O ATOM 0 H ASP A 10 19.615 -6.409 -7.319 1.00 0.00 H new ATOM 0 HA ASP A 10 20.710 -5.240 -9.736 1.00 0.00 H new ATOM 0 HB2 ASP A 10 18.711 -5.472 -11.067 1.00 0.00 H new ATOM 0 HB3 ASP A 10 19.227 -7.076 -10.586 1.00 0.00 H new ATOM 151 N TYR A 11 19.180 -3.182 -9.349 1.00 0.00 N ATOM 152 CA TYR A 11 18.630 -1.919 -8.871 1.00 0.00 C ATOM 153 C TYR A 11 17.277 -2.134 -8.198 1.00 0.00 C ATOM 154 O TYR A 11 16.590 -3.122 -8.459 1.00 0.00 O ATOM 155 CB TYR A 11 18.485 -0.931 -10.029 1.00 0.00 C ATOM 156 CG TYR A 11 19.790 -0.290 -10.444 1.00 0.00 C ATOM 157 CD1 TYR A 11 20.498 0.522 -9.566 1.00 0.00 C ATOM 158 CD2 TYR A 11 20.314 -0.494 -11.715 1.00 0.00 C ATOM 159 CE1 TYR A 11 21.690 1.110 -9.942 1.00 0.00 C ATOM 160 CE2 TYR A 11 21.506 0.089 -12.098 1.00 0.00 C ATOM 161 CZ TYR A 11 22.190 0.890 -11.208 1.00 0.00 C ATOM 162 OH TYR A 11 23.377 1.474 -11.587 1.00 0.00 O ATOM 0 H TYR A 11 19.547 -3.149 -10.300 1.00 0.00 H new ATOM 0 HA TYR A 11 19.320 -1.507 -8.135 1.00 0.00 H new ATOM 0 HB2 TYR A 11 18.056 -1.449 -10.886 1.00 0.00 H new ATOM 0 HB3 TYR A 11 17.781 -0.150 -9.743 1.00 0.00 H new ATOM 0 HD1 TYR A 11 20.110 0.696 -8.573 1.00 0.00 H new ATOM 0 HD2 TYR A 11 19.780 -1.119 -12.415 1.00 0.00 H new ATOM 0 HE1 TYR A 11 22.228 1.739 -9.248 1.00 0.00 H new ATOM 0 HE2 TYR A 11 21.900 -0.081 -13.089 1.00 0.00 H new ATOM 0 HH TYR A 11 23.588 1.217 -12.509 1.00 0.00 H new ATOM 172 N THR A 12 16.900 -1.200 -7.331 1.00 0.00 N ATOM 173 CA THR A 12 15.631 -1.285 -6.620 1.00 0.00 C ATOM 174 C THR A 12 14.633 -0.262 -7.150 1.00 0.00 C ATOM 175 O THR A 12 14.993 0.881 -7.434 1.00 0.00 O ATOM 176 CB THR A 12 15.819 -1.065 -5.107 1.00 0.00 C ATOM 177 OG1 THR A 12 14.544 -0.938 -4.468 1.00 0.00 O ATOM 178 CG2 THR A 12 16.651 0.180 -4.840 1.00 0.00 C ATOM 0 H THR A 12 17.456 -0.375 -7.104 1.00 0.00 H new ATOM 0 HA THR A 12 15.242 -2.289 -6.789 1.00 0.00 H new ATOM 0 HB THR A 12 16.345 -1.929 -4.700 1.00 0.00 H new ATOM 0 HG1 THR A 12 14.036 -1.768 -4.583 1.00 0.00 H new ATOM 0 HG21 THR A 12 16.770 0.314 -3.765 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.632 0.068 -5.303 1.00 0.00 H new ATOM 0 HG23 THR A 12 16.148 1.051 -5.261 1.00 0.00 H new ATOM 186 N TYR A 13 13.379 -0.679 -7.282 1.00 0.00 N ATOM 187 CA TYR A 13 12.329 0.202 -7.780 1.00 0.00 C ATOM 188 C TYR A 13 10.983 -0.146 -7.153 1.00 0.00 C ATOM 189 O TYR A 13 10.367 -1.155 -7.497 1.00 0.00 O ATOM 190 CB TYR A 13 12.234 0.105 -9.304 1.00 0.00 C ATOM 191 CG TYR A 13 13.516 0.475 -10.015 1.00 0.00 C ATOM 192 CD1 TYR A 13 13.876 1.805 -10.195 1.00 0.00 C ATOM 193 CD2 TYR A 13 14.369 -0.507 -10.506 1.00 0.00 C ATOM 194 CE1 TYR A 13 15.046 2.147 -10.845 1.00 0.00 C ATOM 195 CE2 TYR A 13 15.542 -0.174 -11.156 1.00 0.00 C ATOM 196 CZ TYR A 13 15.876 1.154 -11.323 1.00 0.00 C ATOM 197 OH TYR A 13 17.043 1.490 -11.970 1.00 0.00 O ATOM 0 H TYR A 13 13.065 -1.621 -7.051 1.00 0.00 H new ATOM 0 HA TYR A 13 12.585 1.224 -7.502 1.00 0.00 H new ATOM 0 HB2 TYR A 13 11.957 -0.913 -9.578 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.434 0.758 -9.652 1.00 0.00 H new ATOM 0 HD1 TYR A 13 13.230 2.585 -9.820 1.00 0.00 H new ATOM 0 HD2 TYR A 13 14.110 -1.548 -10.377 1.00 0.00 H new ATOM 0 HE1 TYR A 13 15.309 3.186 -10.978 1.00 0.00 H new ATOM 0 HE2 TYR A 13 16.194 -0.949 -11.531 1.00 0.00 H new ATOM 0 HH TYR A 13 17.512 0.674 -12.243 1.00 0.00 H new ATOM 207 N ASP A 14 10.532 0.698 -6.231 1.00 0.00 N ATOM 208 CA ASP A 14 9.258 0.482 -5.555 1.00 0.00 C ATOM 209 C ASP A 14 8.091 0.703 -6.512 1.00 0.00 C ATOM 210 O ASP A 14 8.064 1.682 -7.256 1.00 0.00 O ATOM 211 CB ASP A 14 9.130 1.417 -4.351 1.00 0.00 C ATOM 212 CG ASP A 14 7.723 1.449 -3.789 1.00 0.00 C ATOM 213 OD1 ASP A 14 7.053 0.395 -3.808 1.00 0.00 O ATOM 214 OD2 ASP A 14 7.290 2.528 -3.332 1.00 0.00 O ATOM 0 H ASP A 14 11.030 1.538 -5.935 1.00 0.00 H new ATOM 0 HA ASP A 14 9.230 -0.551 -5.208 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.822 1.098 -3.572 1.00 0.00 H new ATOM 0 HB3 ASP A 14 9.424 2.425 -4.645 1.00 0.00 H new ATOM 219 N GLU A 15 7.130 -0.215 -6.487 1.00 0.00 N ATOM 220 CA GLU A 15 5.961 -0.121 -7.354 1.00 0.00 C ATOM 221 C GLU A 15 5.245 1.212 -7.159 1.00 0.00 C ATOM 222 O GLU A 15 4.672 1.765 -8.097 1.00 0.00 O ATOM 223 CB GLU A 15 4.998 -1.276 -7.077 1.00 0.00 C ATOM 224 CG GLU A 15 4.570 -1.376 -5.622 1.00 0.00 C ATOM 225 CD GLU A 15 3.406 -0.462 -5.292 1.00 0.00 C ATOM 226 OE1 GLU A 15 2.496 -0.333 -6.137 1.00 0.00 O ATOM 227 OE2 GLU A 15 3.405 0.124 -4.189 1.00 0.00 O ATOM 0 H GLU A 15 7.138 -1.032 -5.876 1.00 0.00 H new ATOM 0 HA GLU A 15 6.301 -0.183 -8.388 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.112 -1.157 -7.700 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.472 -2.212 -7.373 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.293 -2.406 -5.399 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.415 -1.127 -4.981 1.00 0.00 H new ATOM 234 N GLY A 16 5.281 1.723 -5.932 1.00 0.00 N ATOM 235 CA GLY A 16 4.631 2.986 -5.634 1.00 0.00 C ATOM 236 C GLY A 16 5.542 4.175 -5.866 1.00 0.00 C ATOM 237 O GLY A 16 5.237 5.292 -5.447 1.00 0.00 O ATOM 0 H GLY A 16 5.749 1.285 -5.139 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.740 3.088 -6.254 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.298 2.984 -4.596 1.00 0.00 H new ATOM 241 N LYS A 17 6.665 3.937 -6.535 1.00 0.00 N ATOM 242 CA LYS A 17 7.624 4.996 -6.822 1.00 0.00 C ATOM 243 C LYS A 17 7.309 5.670 -8.154 1.00 0.00 C ATOM 244 O LYS A 17 7.260 6.896 -8.245 1.00 0.00 O ATOM 245 CB LYS A 17 9.046 4.431 -6.849 1.00 0.00 C ATOM 246 CG LYS A 17 10.085 5.371 -6.262 1.00 0.00 C ATOM 247 CD LYS A 17 10.084 5.325 -4.743 1.00 0.00 C ATOM 248 CE LYS A 17 11.126 4.351 -4.214 1.00 0.00 C ATOM 249 NZ LYS A 17 10.870 3.981 -2.795 1.00 0.00 N ATOM 0 H LYS A 17 6.933 3.019 -6.889 1.00 0.00 H new ATOM 0 HA LYS A 17 7.550 5.742 -6.031 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.065 3.491 -6.297 1.00 0.00 H new ATOM 0 HB3 LYS A 17 9.317 4.201 -7.879 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.073 5.101 -6.634 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.886 6.389 -6.596 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.282 6.321 -4.348 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.096 5.031 -4.387 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.127 3.451 -4.829 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.117 4.797 -4.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.602 3.316 -2.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.894 4.836 -2.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.935 3.532 -2.717 1.00 0.00 H new ATOM 263 N GLY A 18 7.093 4.859 -9.186 1.00 0.00 N ATOM 264 CA GLY A 18 6.783 5.395 -10.498 1.00 0.00 C ATOM 265 C GLY A 18 8.026 5.772 -11.279 1.00 0.00 C ATOM 266 O GLY A 18 8.388 6.947 -11.355 1.00 0.00 O ATOM 0 H GLY A 18 7.127 3.841 -9.136 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.213 4.658 -11.063 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.147 6.273 -10.387 1.00 0.00 H new ATOM 270 N ASP A 19 8.684 4.774 -11.859 1.00 0.00 N ATOM 271 CA ASP A 19 9.895 5.007 -12.637 1.00 0.00 C ATOM 272 C ASP A 19 9.663 4.689 -14.111 1.00 0.00 C ATOM 273 O ASP A 19 10.109 3.665 -14.629 1.00 0.00 O ATOM 274 CB ASP A 19 11.046 4.158 -12.095 1.00 0.00 C ATOM 275 CG ASP A 19 10.625 2.731 -11.801 1.00 0.00 C ATOM 276 OD1 ASP A 19 10.048 2.494 -10.719 1.00 0.00 O ATOM 277 OD2 ASP A 19 10.872 1.853 -12.654 1.00 0.00 O ATOM 0 H ASP A 19 8.399 3.796 -11.805 1.00 0.00 H new ATOM 0 HA ASP A 19 10.158 6.061 -12.548 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.861 4.151 -12.819 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.433 4.615 -11.184 1.00 0.00 H new ATOM 282 N PRO A 20 8.948 5.587 -14.805 1.00 0.00 N ATOM 283 CA PRO A 20 8.640 5.424 -16.229 1.00 0.00 C ATOM 284 C PRO A 20 9.874 5.581 -17.110 1.00 0.00 C ATOM 285 O PRO A 20 9.827 5.319 -18.312 1.00 0.00 O ATOM 286 CB PRO A 20 7.639 6.549 -16.506 1.00 0.00 C ATOM 287 CG PRO A 20 7.935 7.582 -15.475 1.00 0.00 C ATOM 288 CD PRO A 20 8.385 6.831 -14.253 1.00 0.00 C ATOM 0 HA PRO A 20 8.256 4.428 -16.452 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.761 6.948 -17.513 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.612 6.193 -16.426 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.710 8.266 -15.820 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.052 8.183 -15.260 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.129 7.392 -13.688 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.555 6.631 -13.576 1.00 0.00 H new ATOM 296 N ARG A 21 10.977 6.009 -16.505 1.00 0.00 N ATOM 297 CA ARG A 21 12.224 6.201 -17.236 1.00 0.00 C ATOM 298 C ARG A 21 12.920 4.866 -17.485 1.00 0.00 C ATOM 299 O ARG A 21 13.716 4.734 -18.413 1.00 0.00 O ATOM 300 CB ARG A 21 13.154 7.137 -16.463 1.00 0.00 C ATOM 301 CG ARG A 21 12.751 8.600 -16.545 1.00 0.00 C ATOM 302 CD ARG A 21 13.156 9.361 -15.292 1.00 0.00 C ATOM 303 NE ARG A 21 14.496 9.930 -15.406 1.00 0.00 N ATOM 304 CZ ARG A 21 14.795 10.952 -16.201 1.00 0.00 C ATOM 305 NH1 ARG A 21 13.853 11.513 -16.947 1.00 0.00 N ATOM 306 NH2 ARG A 21 16.038 11.415 -16.250 1.00 0.00 N ATOM 0 H ARG A 21 11.033 6.229 -15.511 1.00 0.00 H new ATOM 0 HA ARG A 21 11.985 6.651 -18.199 1.00 0.00 H new ATOM 0 HB2 ARG A 21 13.174 6.833 -15.417 1.00 0.00 H new ATOM 0 HB3 ARG A 21 14.168 7.026 -16.847 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.217 9.059 -17.417 1.00 0.00 H new ATOM 0 HG3 ARG A 21 11.672 8.674 -16.684 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.438 10.159 -15.105 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.119 8.691 -14.433 1.00 0.00 H new ATOM 0 HE ARG A 21 15.243 9.521 -14.845 1.00 0.00 H new ATOM 0 HH11 ARG A 21 12.897 11.160 -16.911 1.00 0.00 H new ATOM 0 HH12 ARG A 21 14.085 12.297 -17.556 1.00 0.00 H new ATOM 0 HH21 ARG A 21 16.765 10.986 -15.677 1.00 0.00 H new ATOM 0 HH22 ARG A 21 16.266 12.199 -16.861 1.00 0.00 H new ATOM 320 N GLU A 22 12.613 3.880 -16.647 1.00 0.00 N ATOM 321 CA GLU A 22 13.210 2.556 -16.776 1.00 0.00 C ATOM 322 C GLU A 22 12.251 1.591 -17.467 1.00 0.00 C ATOM 323 O GLU A 22 12.370 0.374 -17.329 1.00 0.00 O ATOM 324 CB GLU A 22 13.596 2.010 -15.399 1.00 0.00 C ATOM 325 CG GLU A 22 14.946 2.503 -14.906 1.00 0.00 C ATOM 326 CD GLU A 22 16.070 2.194 -15.875 1.00 0.00 C ATOM 327 OE1 GLU A 22 16.537 1.036 -15.893 1.00 0.00 O ATOM 328 OE2 GLU A 22 16.482 3.111 -16.616 1.00 0.00 O ATOM 0 H GLU A 22 11.955 3.973 -15.873 1.00 0.00 H new ATOM 0 HA GLU A 22 14.108 2.649 -17.387 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.830 2.293 -14.677 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.609 0.921 -15.440 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.898 3.580 -14.743 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.166 2.044 -13.942 1.00 0.00 H new ATOM 335 N GLY A 23 11.299 2.144 -18.212 1.00 0.00 N ATOM 336 CA GLY A 23 10.332 1.319 -18.913 1.00 0.00 C ATOM 337 C GLY A 23 9.269 0.759 -17.989 1.00 0.00 C ATOM 338 O GLY A 23 8.629 -0.244 -18.304 1.00 0.00 O ATOM 0 H GLY A 23 11.180 3.149 -18.343 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.855 1.909 -19.695 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.850 0.497 -19.406 1.00 0.00 H new ATOM 342 N PHE A 24 9.081 1.408 -16.845 1.00 0.00 N ATOM 343 CA PHE A 24 8.089 0.967 -15.870 1.00 0.00 C ATOM 344 C PHE A 24 7.407 2.162 -15.210 1.00 0.00 C ATOM 345 O PHE A 24 7.791 2.609 -14.129 1.00 0.00 O ATOM 346 CB PHE A 24 8.747 0.088 -14.805 1.00 0.00 C ATOM 347 CG PHE A 24 9.578 -1.025 -15.375 1.00 0.00 C ATOM 348 CD1 PHE A 24 8.983 -2.068 -16.067 1.00 0.00 C ATOM 349 CD2 PHE A 24 10.955 -1.029 -15.219 1.00 0.00 C ATOM 350 CE1 PHE A 24 9.746 -3.094 -16.594 1.00 0.00 C ATOM 351 CE2 PHE A 24 11.723 -2.052 -15.744 1.00 0.00 C ATOM 352 CZ PHE A 24 11.117 -3.086 -16.431 1.00 0.00 C ATOM 0 H PHE A 24 9.602 2.241 -16.570 1.00 0.00 H new ATOM 0 HA PHE A 24 7.332 0.384 -16.395 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.376 0.711 -14.169 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.972 -0.338 -14.168 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.911 -2.080 -16.196 1.00 0.00 H new ATOM 0 HD2 PHE A 24 11.434 -0.224 -14.681 1.00 0.00 H new ATOM 0 HE1 PHE A 24 9.270 -3.900 -17.132 1.00 0.00 H new ATOM 0 HE2 PHE A 24 12.795 -2.043 -15.617 1.00 0.00 H new ATOM 0 HZ PHE A 24 11.715 -3.887 -16.840 1.00 0.00 H new ATOM 362 N PRO A 25 6.371 2.693 -15.876 1.00 0.00 N ATOM 363 CA PRO A 25 5.612 3.842 -15.373 1.00 0.00 C ATOM 364 C PRO A 25 4.773 3.493 -14.149 1.00 0.00 C ATOM 365 O PRO A 25 4.777 2.352 -13.687 1.00 0.00 O ATOM 366 CB PRO A 25 4.709 4.214 -16.552 1.00 0.00 C ATOM 367 CG PRO A 25 4.559 2.951 -17.327 1.00 0.00 C ATOM 368 CD PRO A 25 5.859 2.211 -17.170 1.00 0.00 C ATOM 0 HA PRO A 25 6.266 4.651 -15.047 1.00 0.00 H new ATOM 0 HB2 PRO A 25 3.743 4.585 -16.209 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.156 5.001 -17.160 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.725 2.359 -16.950 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.353 3.160 -18.377 1.00 0.00 H new ATOM 0 HD2 PRO A 25 5.709 1.131 -17.166 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.549 2.434 -17.984 1.00 0.00 H new ATOM 376 N ALA A 26 4.055 4.482 -13.628 1.00 0.00 N ATOM 377 CA ALA A 26 3.209 4.278 -12.458 1.00 0.00 C ATOM 378 C ALA A 26 2.282 3.083 -12.653 1.00 0.00 C ATOM 379 O ALA A 26 1.821 2.817 -13.762 1.00 0.00 O ATOM 380 CB ALA A 26 2.401 5.533 -12.166 1.00 0.00 C ATOM 0 H ALA A 26 4.042 5.433 -13.997 1.00 0.00 H new ATOM 0 HA ALA A 26 3.855 4.068 -11.605 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.774 5.366 -11.290 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.078 6.365 -11.975 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.771 5.768 -13.024 1.00 0.00 H new ATOM 386 N GLY A 27 2.014 2.365 -11.567 1.00 0.00 N ATOM 387 CA GLY A 27 1.144 1.206 -11.640 1.00 0.00 C ATOM 388 C GLY A 27 1.913 -0.086 -11.833 1.00 0.00 C ATOM 389 O GLY A 27 1.450 -1.158 -11.443 1.00 0.00 O ATOM 0 H GLY A 27 2.384 2.565 -10.638 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.554 1.141 -10.726 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.442 1.334 -12.464 1.00 0.00 H new ATOM 393 N THR A 28 3.092 0.014 -12.439 1.00 0.00 N ATOM 394 CA THR A 28 3.927 -1.155 -12.686 1.00 0.00 C ATOM 395 C THR A 28 4.420 -1.765 -11.378 1.00 0.00 C ATOM 396 O THR A 28 5.267 -1.190 -10.695 1.00 0.00 O ATOM 397 CB THR A 28 5.141 -0.803 -13.565 1.00 0.00 C ATOM 398 OG1 THR A 28 4.700 -0.303 -14.832 1.00 0.00 O ATOM 399 CG2 THR A 28 6.028 -2.021 -13.776 1.00 0.00 C ATOM 0 H THR A 28 3.490 0.893 -12.768 1.00 0.00 H new ATOM 0 HA THR A 28 3.306 -1.881 -13.211 1.00 0.00 H new ATOM 0 HB THR A 28 5.721 -0.035 -13.054 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.611 0.672 -14.786 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.879 -1.748 -14.400 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.386 -2.382 -12.812 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.455 -2.807 -14.268 1.00 0.00 H new ATOM 407 N ARG A 29 3.885 -2.932 -11.036 1.00 0.00 N ATOM 408 CA ARG A 29 4.270 -3.619 -9.810 1.00 0.00 C ATOM 409 C ARG A 29 5.484 -4.513 -10.047 1.00 0.00 C ATOM 410 O ARG A 29 5.663 -5.058 -11.136 1.00 0.00 O ATOM 411 CB ARG A 29 3.104 -4.455 -9.280 1.00 0.00 C ATOM 412 CG ARG A 29 2.020 -3.630 -8.606 1.00 0.00 C ATOM 413 CD ARG A 29 1.212 -4.465 -7.625 1.00 0.00 C ATOM 414 NE ARG A 29 0.177 -3.679 -6.959 1.00 0.00 N ATOM 415 CZ ARG A 29 -0.863 -4.215 -6.332 1.00 0.00 C ATOM 416 NH1 ARG A 29 -1.007 -5.533 -6.285 1.00 0.00 N ATOM 417 NH2 ARG A 29 -1.763 -3.433 -5.749 1.00 0.00 N ATOM 0 H ARG A 29 3.183 -3.422 -11.591 1.00 0.00 H new ATOM 0 HA ARG A 29 4.534 -2.865 -9.068 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.663 -5.013 -10.106 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.487 -5.187 -8.569 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.474 -2.789 -8.082 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.356 -3.212 -9.363 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.750 -5.299 -8.154 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.880 -4.893 -6.877 1.00 0.00 H new ATOM 0 HE ARG A 29 0.258 -2.662 -6.977 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.317 -6.138 -6.731 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.807 -5.942 -5.802 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.656 -2.419 -5.783 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.562 -3.846 -5.267 1.00 0.00 H new ATOM 431 N TRP A 30 6.315 -4.658 -9.020 1.00 0.00 N ATOM 432 CA TRP A 30 7.512 -5.485 -9.117 1.00 0.00 C ATOM 433 C TRP A 30 7.173 -6.875 -9.645 1.00 0.00 C ATOM 434 O TRP A 30 7.991 -7.514 -10.306 1.00 0.00 O ATOM 435 CB TRP A 30 8.191 -5.597 -7.751 1.00 0.00 C ATOM 436 CG TRP A 30 7.281 -6.109 -6.675 1.00 0.00 C ATOM 437 CD1 TRP A 30 6.383 -5.382 -5.948 1.00 0.00 C ATOM 438 CD2 TRP A 30 7.184 -7.458 -6.206 1.00 0.00 C ATOM 439 NE1 TRP A 30 5.732 -6.198 -5.054 1.00 0.00 N ATOM 440 CE2 TRP A 30 6.205 -7.476 -5.193 1.00 0.00 C ATOM 441 CE3 TRP A 30 7.826 -8.652 -6.543 1.00 0.00 C ATOM 442 CZ2 TRP A 30 5.857 -8.642 -4.516 1.00 0.00 C ATOM 443 CZ3 TRP A 30 7.480 -9.808 -5.870 1.00 0.00 C ATOM 444 CH2 TRP A 30 6.502 -9.797 -4.867 1.00 0.00 C ATOM 0 H TRP A 30 6.182 -4.214 -8.112 1.00 0.00 H new ATOM 0 HA TRP A 30 8.197 -5.008 -9.818 1.00 0.00 H new ATOM 0 HB2 TRP A 30 9.052 -6.260 -7.835 1.00 0.00 H new ATOM 0 HB3 TRP A 30 8.570 -4.617 -7.460 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.210 -4.322 -6.059 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.013 -5.900 -4.394 1.00 0.00 H new ATOM 0 HE3 TRP A 30 8.580 -8.671 -7.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 5.105 -8.635 -3.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.972 -10.736 -6.121 1.00 0.00 H new ATOM 0 HH2 TRP A 30 6.252 -10.718 -4.361 1.00 0.00 H new ATOM 455 N ASP A 31 5.962 -7.335 -9.350 1.00 0.00 N ATOM 456 CA ASP A 31 5.514 -8.649 -9.797 1.00 0.00 C ATOM 457 C ASP A 31 5.511 -8.733 -11.320 1.00 0.00 C ATOM 458 O ASP A 31 5.828 -9.775 -11.894 1.00 0.00 O ATOM 459 CB ASP A 31 4.116 -8.947 -9.254 1.00 0.00 C ATOM 460 CG ASP A 31 3.631 -10.333 -9.632 1.00 0.00 C ATOM 461 OD1 ASP A 31 4.453 -11.273 -9.621 1.00 0.00 O ATOM 462 OD2 ASP A 31 2.429 -10.477 -9.939 1.00 0.00 O ATOM 0 H ASP A 31 5.273 -6.818 -8.804 1.00 0.00 H new ATOM 0 HA ASP A 31 6.211 -9.394 -9.412 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.123 -8.851 -8.168 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.415 -8.204 -9.635 1.00 0.00 H new ATOM 467 N GLN A 32 5.149 -7.630 -11.968 1.00 0.00 N ATOM 468 CA GLN A 32 5.102 -7.581 -13.424 1.00 0.00 C ATOM 469 C GLN A 32 6.491 -7.786 -14.020 1.00 0.00 C ATOM 470 O GLN A 32 6.629 -8.270 -15.144 1.00 0.00 O ATOM 471 CB GLN A 32 4.526 -6.243 -13.892 1.00 0.00 C ATOM 472 CG GLN A 32 4.192 -6.210 -15.374 1.00 0.00 C ATOM 473 CD GLN A 32 3.323 -7.376 -15.804 1.00 0.00 C ATOM 474 OE1 GLN A 32 3.693 -8.147 -16.690 1.00 0.00 O ATOM 475 NE2 GLN A 32 2.161 -7.511 -15.176 1.00 0.00 N ATOM 0 H GLN A 32 4.884 -6.759 -11.508 1.00 0.00 H new ATOM 0 HA GLN A 32 4.455 -8.388 -13.769 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.624 -6.025 -13.320 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.242 -5.452 -13.672 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.681 -5.276 -15.606 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.117 -6.219 -15.951 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.895 -6.848 -14.448 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.534 -8.277 -15.422 1.00 0.00 H new ATOM 484 N ILE A 33 7.516 -7.414 -13.261 1.00 0.00 N ATOM 485 CA ILE A 33 8.894 -7.557 -13.715 1.00 0.00 C ATOM 486 C ILE A 33 9.167 -8.977 -14.201 1.00 0.00 C ATOM 487 O ILE A 33 8.820 -9.961 -13.547 1.00 0.00 O ATOM 488 CB ILE A 33 9.894 -7.208 -12.598 1.00 0.00 C ATOM 489 CG1 ILE A 33 9.637 -5.792 -12.078 1.00 0.00 C ATOM 490 CG2 ILE A 33 11.322 -7.340 -13.105 1.00 0.00 C ATOM 491 CD1 ILE A 33 9.787 -4.723 -13.137 1.00 0.00 C ATOM 0 H ILE A 33 7.418 -7.011 -12.329 1.00 0.00 H new ATOM 0 HA ILE A 33 9.028 -6.860 -14.542 1.00 0.00 H new ATOM 0 HB ILE A 33 9.755 -7.909 -11.775 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.630 -5.743 -11.664 1.00 0.00 H new ATOM 0 HG13 ILE A 33 10.328 -5.583 -11.261 1.00 0.00 H new ATOM 0 HG21 ILE A 33 12.017 -7.090 -12.304 1.00 0.00 H new ATOM 0 HG22 ILE A 33 11.499 -8.365 -13.432 1.00 0.00 H new ATOM 0 HG23 ILE A 33 11.475 -6.660 -13.943 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.590 -3.745 -12.697 1.00 0.00 H new ATOM 0 HD12 ILE A 33 10.802 -4.745 -13.535 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.077 -4.908 -13.943 1.00 0.00 H new ATOM 503 N PRO A 34 9.807 -9.088 -15.375 1.00 0.00 N ATOM 504 CA PRO A 34 10.144 -10.383 -15.973 1.00 0.00 C ATOM 505 C PRO A 34 11.235 -11.113 -15.198 1.00 0.00 C ATOM 506 O PRO A 34 12.374 -10.652 -15.127 1.00 0.00 O ATOM 507 CB PRO A 34 10.640 -10.008 -17.372 1.00 0.00 C ATOM 508 CG PRO A 34 11.132 -8.608 -17.237 1.00 0.00 C ATOM 509 CD PRO A 34 10.250 -7.957 -16.208 1.00 0.00 C ATOM 0 HA PRO A 34 9.294 -11.065 -15.976 1.00 0.00 H new ATOM 0 HB2 PRO A 34 11.435 -10.677 -17.703 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.839 -10.077 -18.108 1.00 0.00 H new ATOM 0 HG2 PRO A 34 12.176 -8.590 -16.924 1.00 0.00 H new ATOM 0 HG3 PRO A 34 11.075 -8.081 -18.189 1.00 0.00 H new ATOM 0 HD2 PRO A 34 10.794 -7.216 -15.623 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.407 -7.443 -16.669 1.00 0.00 H new ATOM 517 N ASP A 35 10.880 -12.255 -14.620 1.00 0.00 N ATOM 518 CA ASP A 35 11.830 -13.050 -13.851 1.00 0.00 C ATOM 519 C ASP A 35 12.912 -13.630 -14.757 1.00 0.00 C ATOM 520 O ASP A 35 13.938 -14.117 -14.282 1.00 0.00 O ATOM 521 CB ASP A 35 11.105 -14.178 -13.115 1.00 0.00 C ATOM 522 CG ASP A 35 9.768 -13.738 -12.553 1.00 0.00 C ATOM 523 OD1 ASP A 35 8.804 -13.622 -13.338 1.00 0.00 O ATOM 524 OD2 ASP A 35 9.685 -13.508 -11.328 1.00 0.00 O ATOM 0 H ASP A 35 9.941 -12.651 -14.669 1.00 0.00 H new ATOM 0 HA ASP A 35 12.306 -12.396 -13.120 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.951 -15.013 -13.798 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.735 -14.542 -12.303 1.00 0.00 H new ATOM 529 N ASP A 36 12.674 -13.575 -16.063 1.00 0.00 N ATOM 530 CA ASP A 36 13.628 -14.094 -17.036 1.00 0.00 C ATOM 531 C ASP A 36 14.777 -13.113 -17.248 1.00 0.00 C ATOM 532 O ASP A 36 15.850 -13.491 -17.717 1.00 0.00 O ATOM 533 CB ASP A 36 12.929 -14.377 -18.366 1.00 0.00 C ATOM 534 CG ASP A 36 11.629 -15.135 -18.188 1.00 0.00 C ATOM 535 OD1 ASP A 36 11.664 -16.249 -17.624 1.00 0.00 O ATOM 536 OD2 ASP A 36 10.576 -14.614 -18.611 1.00 0.00 O ATOM 0 H ASP A 36 11.829 -13.176 -16.472 1.00 0.00 H new ATOM 0 HA ASP A 36 14.038 -15.025 -16.645 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.729 -13.434 -18.876 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.596 -14.952 -19.008 1.00 0.00 H new ATOM 541 N TRP A 37 14.542 -11.852 -16.902 1.00 0.00 N ATOM 542 CA TRP A 37 15.557 -10.816 -17.057 1.00 0.00 C ATOM 543 C TRP A 37 16.870 -11.240 -16.409 1.00 0.00 C ATOM 544 O TRP A 37 16.886 -11.726 -15.277 1.00 0.00 O ATOM 545 CB TRP A 37 15.071 -9.502 -16.442 1.00 0.00 C ATOM 546 CG TRP A 37 15.400 -8.300 -17.275 1.00 0.00 C ATOM 547 CD1 TRP A 37 16.395 -7.392 -17.046 1.00 0.00 C ATOM 548 CD2 TRP A 37 14.731 -7.874 -18.467 1.00 0.00 C ATOM 549 NE1 TRP A 37 16.384 -6.428 -18.025 1.00 0.00 N ATOM 550 CE2 TRP A 37 15.374 -6.701 -18.909 1.00 0.00 C ATOM 551 CE3 TRP A 37 13.654 -8.371 -19.205 1.00 0.00 C ATOM 552 CZ2 TRP A 37 14.972 -6.019 -20.054 1.00 0.00 C ATOM 553 CZ3 TRP A 37 13.256 -7.693 -20.341 1.00 0.00 C ATOM 554 CH2 TRP A 37 13.914 -6.528 -20.758 1.00 0.00 C ATOM 0 H TRP A 37 13.659 -11.523 -16.513 1.00 0.00 H new ATOM 0 HA TRP A 37 15.731 -10.668 -18.123 1.00 0.00 H new ATOM 0 HB2 TRP A 37 13.991 -9.553 -16.300 1.00 0.00 H new ATOM 0 HB3 TRP A 37 15.517 -9.384 -15.454 1.00 0.00 H new ATOM 0 HD1 TRP A 37 17.088 -7.427 -16.218 1.00 0.00 H new ATOM 0 HE1 TRP A 37 17.025 -5.637 -18.084 1.00 0.00 H new ATOM 0 HE3 TRP A 37 13.142 -9.269 -18.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 15.477 -5.120 -20.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 12.423 -8.067 -20.918 1.00 0.00 H new ATOM 0 HH2 TRP A 37 13.580 -6.022 -21.652 1.00 0.00 H new ATOM 565 N CYS A 38 17.969 -11.053 -17.131 1.00 0.00 N ATOM 566 CA CYS A 38 19.288 -11.417 -16.626 1.00 0.00 C ATOM 567 C CYS A 38 20.050 -10.182 -16.157 1.00 0.00 C ATOM 568 O CYS A 38 20.138 -9.185 -16.875 1.00 0.00 O ATOM 569 CB CYS A 38 20.088 -12.145 -17.707 1.00 0.00 C ATOM 570 SG CYS A 38 19.614 -13.875 -17.937 1.00 0.00 S ATOM 0 H CYS A 38 17.973 -10.651 -18.069 1.00 0.00 H new ATOM 0 HA CYS A 38 19.153 -12.083 -15.774 1.00 0.00 H new ATOM 0 HB2 CYS A 38 19.965 -11.617 -18.653 1.00 0.00 H new ATOM 0 HB3 CYS A 38 21.147 -12.100 -17.452 1.00 0.00 H new ATOM 0 HG CYS A 38 20.345 -14.404 -18.873 1.00 0.00 H new ATOM 576 N CYS A 39 20.599 -10.255 -14.950 1.00 0.00 N ATOM 577 CA CYS A 39 21.352 -9.141 -14.383 1.00 0.00 C ATOM 578 C CYS A 39 22.788 -9.555 -14.081 1.00 0.00 C ATOM 579 O CYS A 39 23.110 -10.738 -13.974 1.00 0.00 O ATOM 580 CB CYS A 39 20.674 -8.636 -13.109 1.00 0.00 C ATOM 581 SG CYS A 39 19.749 -7.097 -13.325 1.00 0.00 S ATOM 0 H CYS A 39 20.537 -11.074 -14.345 1.00 0.00 H new ATOM 0 HA CYS A 39 21.372 -8.336 -15.117 1.00 0.00 H new ATOM 0 HB2 CYS A 39 19.996 -9.406 -12.741 1.00 0.00 H new ATOM 0 HB3 CYS A 39 21.433 -8.486 -12.341 1.00 0.00 H new ATOM 0 HG CYS A 39 18.554 -7.236 -12.832 1.00 0.00 H new ATOM 587 N PRO A 40 23.674 -8.557 -13.940 1.00 0.00 N ATOM 588 CA PRO A 40 25.091 -8.793 -13.649 1.00 0.00 C ATOM 589 C PRO A 40 25.313 -9.321 -12.235 1.00 0.00 C ATOM 590 O PRO A 40 26.013 -10.314 -12.036 1.00 0.00 O ATOM 591 CB PRO A 40 25.721 -7.407 -13.807 1.00 0.00 C ATOM 592 CG PRO A 40 24.607 -6.453 -13.546 1.00 0.00 C ATOM 593 CD PRO A 40 23.360 -7.123 -14.053 1.00 0.00 C ATOM 0 HA PRO A 40 25.521 -9.549 -14.305 1.00 0.00 H new ATOM 0 HB2 PRO A 40 26.540 -7.262 -13.103 1.00 0.00 H new ATOM 0 HB3 PRO A 40 26.133 -7.271 -14.807 1.00 0.00 H new ATOM 0 HG2 PRO A 40 24.525 -6.230 -12.482 1.00 0.00 H new ATOM 0 HG3 PRO A 40 24.777 -5.506 -14.058 1.00 0.00 H new ATOM 0 HD2 PRO A 40 22.488 -6.854 -13.456 1.00 0.00 H new ATOM 0 HD3 PRO A 40 23.141 -6.839 -15.082 1.00 0.00 H new ATOM 601 N ASP A 41 24.713 -8.650 -11.258 1.00 0.00 N ATOM 602 CA ASP A 41 24.844 -9.053 -9.862 1.00 0.00 C ATOM 603 C ASP A 41 23.903 -10.210 -9.540 1.00 0.00 C ATOM 604 O ASP A 41 24.326 -11.238 -9.011 1.00 0.00 O ATOM 605 CB ASP A 41 24.553 -7.870 -8.938 1.00 0.00 C ATOM 606 CG ASP A 41 25.813 -7.283 -8.334 1.00 0.00 C ATOM 607 OD1 ASP A 41 26.582 -6.636 -9.077 1.00 0.00 O ATOM 608 OD2 ASP A 41 26.031 -7.469 -7.119 1.00 0.00 O ATOM 0 H ASP A 41 24.132 -7.825 -11.406 1.00 0.00 H new ATOM 0 HA ASP A 41 25.869 -9.386 -9.700 1.00 0.00 H new ATOM 0 HB2 ASP A 41 24.028 -7.096 -9.498 1.00 0.00 H new ATOM 0 HB3 ASP A 41 23.887 -8.193 -8.138 1.00 0.00 H new ATOM 613 N CYS A 42 22.626 -10.034 -9.862 1.00 0.00 N ATOM 614 CA CYS A 42 21.624 -11.063 -9.605 1.00 0.00 C ATOM 615 C CYS A 42 22.021 -12.383 -10.258 1.00 0.00 C ATOM 616 O CYS A 42 21.576 -13.452 -9.840 1.00 0.00 O ATOM 617 CB CYS A 42 20.258 -10.613 -10.123 1.00 0.00 C ATOM 618 SG CYS A 42 18.904 -11.739 -9.709 1.00 0.00 S ATOM 0 H CYS A 42 22.260 -9.189 -10.301 1.00 0.00 H new ATOM 0 HA CYS A 42 21.563 -11.216 -8.528 1.00 0.00 H new ATOM 0 HB2 CYS A 42 20.034 -9.627 -9.716 1.00 0.00 H new ATOM 0 HB3 CYS A 42 20.309 -10.506 -11.207 1.00 0.00 H new ATOM 0 HG CYS A 42 19.304 -12.585 -8.807 1.00 0.00 H new ATOM 624 N SER A 43 22.858 -12.300 -11.287 1.00 0.00 N ATOM 625 CA SER A 43 23.311 -13.488 -12.001 1.00 0.00 C ATOM 626 C SER A 43 23.834 -14.541 -11.029 1.00 0.00 C ATOM 627 O SER A 43 23.737 -15.741 -11.285 1.00 0.00 O ATOM 628 CB SER A 43 24.403 -13.119 -13.007 1.00 0.00 C ATOM 629 OG SER A 43 25.377 -14.144 -13.100 1.00 0.00 O ATOM 0 H SER A 43 23.236 -11.423 -11.645 1.00 0.00 H new ATOM 0 HA SER A 43 22.459 -13.906 -12.537 1.00 0.00 H new ATOM 0 HB2 SER A 43 23.957 -12.947 -13.986 1.00 0.00 H new ATOM 0 HB3 SER A 43 24.880 -12.186 -12.706 1.00 0.00 H new ATOM 0 HG SER A 43 26.063 -13.885 -13.750 1.00 0.00 H new ATOM 635 N VAL A 44 24.388 -14.082 -9.912 1.00 0.00 N ATOM 636 CA VAL A 44 24.926 -14.983 -8.899 1.00 0.00 C ATOM 637 C VAL A 44 24.047 -14.997 -7.653 1.00 0.00 C ATOM 638 O VAL A 44 24.116 -15.921 -6.843 1.00 0.00 O ATOM 639 CB VAL A 44 26.359 -14.585 -8.499 1.00 0.00 C ATOM 640 CG1 VAL A 44 26.970 -15.637 -7.585 1.00 0.00 C ATOM 641 CG2 VAL A 44 27.220 -14.378 -9.736 1.00 0.00 C ATOM 0 H VAL A 44 24.476 -13.091 -9.685 1.00 0.00 H new ATOM 0 HA VAL A 44 24.943 -15.980 -9.339 1.00 0.00 H new ATOM 0 HB VAL A 44 26.316 -13.643 -7.952 1.00 0.00 H new ATOM 0 HG11 VAL A 44 27.982 -15.339 -7.313 1.00 0.00 H new ATOM 0 HG12 VAL A 44 26.365 -15.731 -6.683 1.00 0.00 H new ATOM 0 HG13 VAL A 44 27.001 -16.595 -8.103 1.00 0.00 H new ATOM 0 HG21 VAL A 44 28.229 -14.097 -9.434 1.00 0.00 H new ATOM 0 HG22 VAL A 44 27.258 -15.303 -10.312 1.00 0.00 H new ATOM 0 HG23 VAL A 44 26.791 -13.586 -10.349 1.00 0.00 H new ATOM 651 N ARG A 45 23.222 -13.966 -7.507 1.00 0.00 N ATOM 652 CA ARG A 45 22.329 -13.859 -6.359 1.00 0.00 C ATOM 653 C ARG A 45 20.894 -14.195 -6.753 1.00 0.00 C ATOM 654 O ARG A 45 20.292 -13.513 -7.582 1.00 0.00 O ATOM 655 CB ARG A 45 22.390 -12.449 -5.768 1.00 0.00 C ATOM 656 CG ARG A 45 22.103 -12.401 -4.276 1.00 0.00 C ATOM 657 CD ARG A 45 23.191 -13.102 -3.477 1.00 0.00 C ATOM 658 NE ARG A 45 24.527 -12.648 -3.856 1.00 0.00 N ATOM 659 CZ ARG A 45 25.641 -13.299 -3.540 1.00 0.00 C ATOM 660 NH1 ARG A 45 25.579 -14.427 -2.845 1.00 0.00 N ATOM 661 NH2 ARG A 45 26.819 -12.823 -3.921 1.00 0.00 N ATOM 0 H ARG A 45 23.153 -13.193 -8.169 1.00 0.00 H new ATOM 0 HA ARG A 45 22.658 -14.576 -5.607 1.00 0.00 H new ATOM 0 HB2 ARG A 45 23.379 -12.029 -5.953 1.00 0.00 H new ATOM 0 HB3 ARG A 45 21.672 -11.815 -6.288 1.00 0.00 H new ATOM 0 HG2 ARG A 45 22.024 -11.363 -3.953 1.00 0.00 H new ATOM 0 HG3 ARG A 45 21.141 -12.872 -4.074 1.00 0.00 H new ATOM 0 HD2 ARG A 45 23.034 -12.920 -2.414 1.00 0.00 H new ATOM 0 HD3 ARG A 45 23.117 -14.179 -3.630 1.00 0.00 H new ATOM 0 HE ARG A 45 24.609 -11.784 -4.392 1.00 0.00 H new ATOM 0 HH11 ARG A 45 24.675 -14.796 -2.552 1.00 0.00 H new ATOM 0 HH12 ARG A 45 26.436 -14.925 -2.604 1.00 0.00 H new ATOM 0 HH21 ARG A 45 26.870 -11.957 -4.457 1.00 0.00 H new ATOM 0 HH22 ARG A 45 27.674 -13.323 -3.678 1.00 0.00 H new ATOM 675 N GLU A 46 20.353 -15.251 -6.154 1.00 0.00 N ATOM 676 CA GLU A 46 18.989 -15.678 -6.444 1.00 0.00 C ATOM 677 C GLU A 46 18.008 -14.521 -6.269 1.00 0.00 C ATOM 678 O GLU A 46 18.146 -13.708 -5.355 1.00 0.00 O ATOM 679 CB GLU A 46 18.590 -16.841 -5.533 1.00 0.00 C ATOM 680 CG GLU A 46 19.080 -18.193 -6.023 1.00 0.00 C ATOM 681 CD GLU A 46 18.375 -18.646 -7.286 1.00 0.00 C ATOM 682 OE1 GLU A 46 17.500 -17.901 -7.777 1.00 0.00 O ATOM 683 OE2 GLU A 46 18.696 -19.745 -7.784 1.00 0.00 O ATOM 0 H GLU A 46 20.838 -15.826 -5.465 1.00 0.00 H new ATOM 0 HA GLU A 46 18.952 -16.010 -7.482 1.00 0.00 H new ATOM 0 HB2 GLU A 46 18.986 -16.661 -4.533 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.504 -16.867 -5.446 1.00 0.00 H new ATOM 0 HG2 GLU A 46 20.153 -18.141 -6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.928 -18.936 -5.240 1.00 0.00 H new ATOM 690 N LYS A 47 17.018 -14.454 -7.153 1.00 0.00 N ATOM 691 CA LYS A 47 16.013 -13.400 -7.098 1.00 0.00 C ATOM 692 C LYS A 47 15.299 -13.399 -5.750 1.00 0.00 C ATOM 693 O LYS A 47 14.748 -12.381 -5.329 1.00 0.00 O ATOM 694 CB LYS A 47 14.996 -13.577 -8.227 1.00 0.00 C ATOM 695 CG LYS A 47 14.325 -12.282 -8.650 1.00 0.00 C ATOM 696 CD LYS A 47 14.084 -12.244 -10.150 1.00 0.00 C ATOM 697 CE LYS A 47 12.983 -11.258 -10.513 1.00 0.00 C ATOM 698 NZ LYS A 47 11.635 -11.772 -10.144 1.00 0.00 N ATOM 0 H LYS A 47 16.891 -15.118 -7.917 1.00 0.00 H new ATOM 0 HA LYS A 47 16.519 -12.443 -7.221 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.497 -14.016 -9.090 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.231 -14.285 -7.908 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.376 -12.174 -8.125 1.00 0.00 H new ATOM 0 HG3 LYS A 47 14.948 -11.436 -8.359 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.006 -11.966 -10.661 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.813 -13.240 -10.501 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.162 -10.310 -10.005 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.014 -11.056 -11.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.023 -10.977 -9.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.217 -12.266 -10.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.722 -12.433 -9.346 1.00 0.00 H new ATOM 712 N VAL A 48 15.312 -14.545 -5.077 1.00 0.00 N ATOM 713 CA VAL A 48 14.668 -14.675 -3.776 1.00 0.00 C ATOM 714 C VAL A 48 15.373 -13.824 -2.726 1.00 0.00 C ATOM 715 O VAL A 48 14.842 -13.596 -1.638 1.00 0.00 O ATOM 716 CB VAL A 48 14.648 -16.141 -3.304 1.00 0.00 C ATOM 717 CG1 VAL A 48 16.061 -16.632 -3.027 1.00 0.00 C ATOM 718 CG2 VAL A 48 13.772 -16.291 -2.069 1.00 0.00 C ATOM 0 H VAL A 48 15.762 -15.397 -5.412 1.00 0.00 H new ATOM 0 HA VAL A 48 13.643 -14.325 -3.894 1.00 0.00 H new ATOM 0 HB VAL A 48 14.225 -16.755 -4.099 1.00 0.00 H new ATOM 0 HG11 VAL A 48 16.027 -17.670 -2.695 1.00 0.00 H new ATOM 0 HG12 VAL A 48 16.656 -16.562 -3.938 1.00 0.00 H new ATOM 0 HG13 VAL A 48 16.514 -16.017 -2.250 1.00 0.00 H new ATOM 0 HG21 VAL A 48 13.769 -17.333 -1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 48 14.164 -15.666 -1.267 1.00 0.00 H new ATOM 0 HG23 VAL A 48 12.754 -15.981 -2.305 1.00 0.00 H new ATOM 728 N ASP A 49 16.570 -13.355 -3.059 1.00 0.00 N ATOM 729 CA ASP A 49 17.348 -12.527 -2.145 1.00 0.00 C ATOM 730 C ASP A 49 16.620 -11.222 -1.841 1.00 0.00 C ATOM 731 O ASP A 49 16.906 -10.556 -0.845 1.00 0.00 O ATOM 732 CB ASP A 49 18.726 -12.230 -2.740 1.00 0.00 C ATOM 733 CG ASP A 49 19.641 -11.525 -1.758 1.00 0.00 C ATOM 734 OD1 ASP A 49 19.593 -10.278 -1.692 1.00 0.00 O ATOM 735 OD2 ASP A 49 20.403 -12.219 -1.054 1.00 0.00 O ATOM 0 H ASP A 49 17.023 -13.534 -3.955 1.00 0.00 H new ATOM 0 HA ASP A 49 17.474 -13.078 -1.213 1.00 0.00 H new ATOM 0 HB2 ASP A 49 19.190 -13.164 -3.058 1.00 0.00 H new ATOM 0 HB3 ASP A 49 18.609 -11.612 -3.630 1.00 0.00 H new ATOM 740 N PHE A 50 15.677 -10.861 -2.705 1.00 0.00 N ATOM 741 CA PHE A 50 14.908 -9.634 -2.530 1.00 0.00 C ATOM 742 C PHE A 50 14.142 -9.656 -1.211 1.00 0.00 C ATOM 743 O PHE A 50 13.400 -10.597 -0.928 1.00 0.00 O ATOM 744 CB PHE A 50 13.935 -9.446 -3.695 1.00 0.00 C ATOM 745 CG PHE A 50 14.481 -8.586 -4.799 1.00 0.00 C ATOM 746 CD1 PHE A 50 14.562 -7.211 -4.648 1.00 0.00 C ATOM 747 CD2 PHE A 50 14.912 -9.152 -5.988 1.00 0.00 C ATOM 748 CE1 PHE A 50 15.064 -6.417 -5.662 1.00 0.00 C ATOM 749 CE2 PHE A 50 15.415 -8.363 -7.005 1.00 0.00 C ATOM 750 CZ PHE A 50 15.490 -6.994 -6.842 1.00 0.00 C ATOM 0 H PHE A 50 15.427 -11.401 -3.534 1.00 0.00 H new ATOM 0 HA PHE A 50 15.606 -8.797 -2.511 1.00 0.00 H new ATOM 0 HB2 PHE A 50 13.674 -10.423 -4.102 1.00 0.00 H new ATOM 0 HB3 PHE A 50 13.014 -9.001 -3.320 1.00 0.00 H new ATOM 0 HD1 PHE A 50 14.229 -6.754 -3.728 1.00 0.00 H new ATOM 0 HD2 PHE A 50 14.854 -10.222 -6.122 1.00 0.00 H new ATOM 0 HE1 PHE A 50 15.123 -5.347 -5.532 1.00 0.00 H new ATOM 0 HE2 PHE A 50 15.749 -8.817 -7.926 1.00 0.00 H new ATOM 0 HZ PHE A 50 15.881 -6.375 -7.636 1.00 0.00 H new ATOM 760 N GLU A 51 14.327 -8.613 -0.408 1.00 0.00 N ATOM 761 CA GLU A 51 13.654 -8.514 0.882 1.00 0.00 C ATOM 762 C GLU A 51 12.905 -7.190 1.004 1.00 0.00 C ATOM 763 O GLU A 51 13.418 -6.137 0.625 1.00 0.00 O ATOM 764 CB GLU A 51 14.666 -8.648 2.022 1.00 0.00 C ATOM 765 CG GLU A 51 15.918 -7.810 1.825 1.00 0.00 C ATOM 766 CD GLU A 51 16.531 -7.361 3.137 1.00 0.00 C ATOM 767 OE1 GLU A 51 16.330 -8.057 4.155 1.00 0.00 O ATOM 768 OE2 GLU A 51 17.212 -6.314 3.147 1.00 0.00 O ATOM 0 H GLU A 51 14.937 -7.825 -0.628 1.00 0.00 H new ATOM 0 HA GLU A 51 12.932 -9.328 0.950 1.00 0.00 H new ATOM 0 HB2 GLU A 51 14.188 -8.357 2.957 1.00 0.00 H new ATOM 0 HB3 GLU A 51 14.952 -9.695 2.122 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.653 -8.387 1.264 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.674 -6.934 1.224 1.00 0.00 H new ATOM 775 N ARG A 52 11.689 -7.252 1.536 1.00 0.00 N ATOM 776 CA ARG A 52 10.868 -6.059 1.707 1.00 0.00 C ATOM 777 C ARG A 52 11.563 -5.046 2.611 1.00 0.00 C ATOM 778 O ARG A 52 12.255 -5.417 3.559 1.00 0.00 O ATOM 779 CB ARG A 52 9.505 -6.432 2.294 1.00 0.00 C ATOM 780 CG ARG A 52 9.525 -6.628 3.801 1.00 0.00 C ATOM 781 CD ARG A 52 10.424 -7.787 4.201 1.00 0.00 C ATOM 782 NE ARG A 52 10.330 -8.086 5.627 1.00 0.00 N ATOM 783 CZ ARG A 52 11.033 -9.041 6.226 1.00 0.00 C ATOM 784 NH1 ARG A 52 11.878 -9.785 5.525 1.00 0.00 N ATOM 785 NH2 ARG A 52 10.892 -9.254 7.528 1.00 0.00 N ATOM 0 H ARG A 52 11.250 -8.115 1.856 1.00 0.00 H new ATOM 0 HA ARG A 52 10.722 -5.605 0.727 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.786 -5.651 2.047 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.154 -7.349 1.821 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.872 -5.714 4.283 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.512 -6.812 4.158 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.151 -8.672 3.626 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.457 -7.548 3.948 1.00 0.00 H new ATOM 0 HE ARG A 52 9.689 -7.531 6.195 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.989 -9.625 4.524 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.417 -10.518 5.987 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.243 -8.684 8.071 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.433 -9.988 7.986 1.00 0.00 H new ATOM 799 N MET A 53 11.375 -3.765 2.310 1.00 0.00 N ATOM 800 CA MET A 53 11.984 -2.698 3.096 1.00 0.00 C ATOM 801 C MET A 53 10.940 -1.668 3.515 1.00 0.00 C ATOM 802 O MET A 53 10.379 -0.962 2.678 1.00 0.00 O ATOM 803 CB MET A 53 13.096 -2.017 2.296 1.00 0.00 C ATOM 804 CG MET A 53 14.473 -2.611 2.543 1.00 0.00 C ATOM 805 SD MET A 53 15.105 -2.238 4.190 1.00 0.00 S ATOM 806 CE MET A 53 16.860 -2.500 3.947 1.00 0.00 C ATOM 0 H MET A 53 10.806 -3.441 1.528 1.00 0.00 H new ATOM 0 HA MET A 53 12.412 -3.142 3.995 1.00 0.00 H new ATOM 0 HB2 MET A 53 12.864 -2.088 1.233 1.00 0.00 H new ATOM 0 HB3 MET A 53 13.116 -0.957 2.547 1.00 0.00 H new ATOM 0 HG2 MET A 53 14.427 -3.692 2.412 1.00 0.00 H new ATOM 0 HG3 MET A 53 15.169 -2.229 1.796 1.00 0.00 H new ATOM 0 HE1 MET A 53 17.389 -2.308 4.880 1.00 0.00 H new ATOM 0 HE2 MET A 53 17.035 -3.530 3.636 1.00 0.00 H new ATOM 0 HE3 MET A 53 17.226 -1.822 3.176 1.00 0.00 H new ATOM 816 N GLY A 54 10.683 -1.588 4.817 1.00 0.00 N ATOM 817 CA GLY A 54 9.706 -0.642 5.324 1.00 0.00 C ATOM 818 C GLY A 54 8.287 -1.010 4.938 1.00 0.00 C ATOM 819 O GLY A 54 7.792 -0.589 3.894 1.00 0.00 O ATOM 0 H GLY A 54 11.134 -2.161 5.530 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.782 -0.593 6.410 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.936 0.353 4.943 1.00 0.00 H new ATOM 823 N GLY A 55 7.632 -1.801 5.782 1.00 0.00 N ATOM 824 CA GLY A 55 6.269 -2.214 5.504 1.00 0.00 C ATOM 825 C GLY A 55 5.244 -1.272 6.103 1.00 0.00 C ATOM 826 O GLY A 55 4.663 -0.446 5.400 1.00 0.00 O ATOM 0 H GLY A 55 8.021 -2.163 6.653 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.122 -2.268 4.425 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.109 -3.218 5.898 1.00 0.00 H new ATOM 830 N LYS A 56 5.020 -1.395 7.407 1.00 0.00 N ATOM 831 CA LYS A 56 4.058 -0.548 8.102 1.00 0.00 C ATOM 832 C LYS A 56 4.537 0.900 8.143 1.00 0.00 C ATOM 833 O LYS A 56 4.034 1.709 8.922 1.00 0.00 O ATOM 834 CB LYS A 56 3.831 -1.061 9.526 1.00 0.00 C ATOM 835 CG LYS A 56 5.087 -1.065 10.379 1.00 0.00 C ATOM 836 CD LYS A 56 4.759 -0.943 11.857 1.00 0.00 C ATOM 837 CE LYS A 56 5.882 -0.261 12.623 1.00 0.00 C ATOM 838 NZ LYS A 56 5.958 -0.734 14.033 1.00 0.00 N ATOM 0 H LYS A 56 5.492 -2.074 8.004 1.00 0.00 H new ATOM 0 HA LYS A 56 3.117 -0.586 7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.075 -0.442 10.010 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.431 -2.074 9.479 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.644 -1.986 10.204 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.733 -0.240 10.080 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.836 -0.376 11.980 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.582 -1.934 12.274 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.832 -0.454 12.124 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.728 0.818 12.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.736 -0.246 14.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.061 -0.528 14.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.131 -1.760 14.046 1.00 0.00 H new TER 852 LYS A 56