USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 607 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 41:sc= 0.0112 USER MOD Single : A 5 SER OG : rot 180:sc= -0.39 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 14:sc= 0.484! USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 61:sc= 0.16 USER MOD Single : A 34 LYS NZ :NH3+ -161:sc= -0.0569 (180deg=-0.364) USER MOD Single : A 38 CYS SG : rot -120:sc= -1.86! USER MOD Single : A 48 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0377) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 30:sc= 0 USER MOD Single : A 60 GLN : amide:sc=-0.00315 X(o=-0.0032,f=-0.12) USER MOD Single : A 61 CYS SG : rot 46:sc= -0.472 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -2.68! X(o=-2.7!,f=-2.3) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.113 -15.324 7.526 1.00 0.00 N ATOM 2 CA GLY A 1 0.778 -16.637 7.306 1.00 0.00 C ATOM 3 C GLY A 1 2.179 -16.684 7.884 1.00 0.00 C ATOM 4 O GLY A 1 2.377 -17.135 9.012 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.841 -15.344 7.112 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.044 -15.137 8.547 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.671 -14.572 7.073 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.176 -17.425 7.757 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.823 -16.843 6.237 1.00 0.00 H new ATOM 10 N SER A 2 3.152 -16.217 7.109 1.00 0.00 N ATOM 11 CA SER A 2 4.542 -16.207 7.551 1.00 0.00 C ATOM 12 C SER A 2 5.204 -14.871 7.232 1.00 0.00 C ATOM 13 O SER A 2 5.394 -14.523 6.067 1.00 0.00 O ATOM 14 CB SER A 2 5.319 -17.345 6.886 1.00 0.00 C ATOM 15 OG SER A 2 6.515 -17.627 7.592 1.00 0.00 O ATOM 0 H SER A 2 3.004 -15.841 6.173 1.00 0.00 H new ATOM 0 HA SER A 2 4.555 -16.350 8.631 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.697 -18.239 6.846 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.556 -17.075 5.857 1.00 0.00 H new ATOM 0 HG SER A 2 6.992 -18.359 7.148 1.00 0.00 H new ATOM 21 N SER A 3 5.554 -14.125 8.276 1.00 0.00 N ATOM 22 CA SER A 3 6.196 -12.827 8.108 1.00 0.00 C ATOM 23 C SER A 3 7.658 -12.883 8.536 1.00 0.00 C ATOM 24 O SER A 3 7.968 -13.206 9.683 1.00 0.00 O ATOM 25 CB SER A 3 5.455 -11.760 8.916 1.00 0.00 C ATOM 26 OG SER A 3 5.099 -12.247 10.198 1.00 0.00 O ATOM 0 H SER A 3 5.403 -14.398 9.247 1.00 0.00 H new ATOM 0 HA SER A 3 6.157 -12.564 7.051 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.085 -10.876 9.021 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.558 -11.450 8.379 1.00 0.00 H new ATOM 0 HG SER A 3 5.836 -12.781 10.562 1.00 0.00 H new ATOM 32 N GLY A 4 8.555 -12.567 7.607 1.00 0.00 N ATOM 33 CA GLY A 4 9.973 -12.587 7.909 1.00 0.00 C ATOM 34 C GLY A 4 10.765 -11.625 7.044 1.00 0.00 C ATOM 35 O GLY A 4 11.114 -10.529 7.483 1.00 0.00 O ATOM 0 H GLY A 4 8.324 -12.298 6.651 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.121 -12.333 8.959 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.357 -13.597 7.768 1.00 0.00 H new ATOM 39 N SER A 5 11.048 -12.035 5.812 1.00 0.00 N ATOM 40 CA SER A 5 11.803 -11.201 4.883 1.00 0.00 C ATOM 41 C SER A 5 11.513 -11.596 3.439 1.00 0.00 C ATOM 42 O SER A 5 12.291 -12.318 2.814 1.00 0.00 O ATOM 43 CB SER A 5 13.303 -11.317 5.164 1.00 0.00 C ATOM 44 OG SER A 5 13.581 -11.112 6.539 1.00 0.00 O ATOM 0 H SER A 5 10.766 -12.939 5.434 1.00 0.00 H new ATOM 0 HA SER A 5 11.492 -10.166 5.028 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.658 -12.302 4.861 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.846 -10.585 4.567 1.00 0.00 H new ATOM 0 HG SER A 5 14.545 -11.193 6.693 1.00 0.00 H new ATOM 50 N SER A 6 10.390 -11.118 2.914 1.00 0.00 N ATOM 51 CA SER A 6 9.997 -11.421 1.543 1.00 0.00 C ATOM 52 C SER A 6 10.586 -10.402 0.571 1.00 0.00 C ATOM 53 O SER A 6 11.210 -10.768 -0.425 1.00 0.00 O ATOM 54 CB SER A 6 8.472 -11.439 1.419 1.00 0.00 C ATOM 55 OG SER A 6 7.925 -12.593 2.033 1.00 0.00 O ATOM 0 H SER A 6 9.736 -10.519 3.417 1.00 0.00 H new ATOM 0 HA SER A 6 10.387 -12.407 1.289 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.056 -10.545 1.882 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.189 -11.414 0.367 1.00 0.00 H new ATOM 0 HG SER A 6 6.949 -12.581 1.942 1.00 0.00 H new ATOM 61 N GLY A 7 10.383 -9.123 0.869 1.00 0.00 N ATOM 62 CA GLY A 7 10.901 -8.072 0.013 1.00 0.00 C ATOM 63 C GLY A 7 10.967 -6.731 0.715 1.00 0.00 C ATOM 64 O GLY A 7 12.053 -6.220 0.991 1.00 0.00 O ATOM 0 H GLY A 7 9.869 -8.796 1.687 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.898 -8.347 -0.332 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.270 -7.985 -0.872 1.00 0.00 H new ATOM 68 N LEU A 8 9.803 -6.160 1.008 1.00 0.00 N ATOM 69 CA LEU A 8 9.734 -4.870 1.684 1.00 0.00 C ATOM 70 C LEU A 8 9.406 -5.048 3.163 1.00 0.00 C ATOM 71 O LEU A 8 8.769 -6.026 3.554 1.00 0.00 O ATOM 72 CB LEU A 8 8.681 -3.979 1.020 1.00 0.00 C ATOM 73 CG LEU A 8 8.711 -3.971 -0.510 1.00 0.00 C ATOM 74 CD1 LEU A 8 7.622 -3.064 -1.060 1.00 0.00 C ATOM 75 CD2 LEU A 8 10.079 -3.533 -1.012 1.00 0.00 C ATOM 0 H LEU A 8 8.895 -6.570 0.788 1.00 0.00 H new ATOM 0 HA LEU A 8 10.710 -4.392 1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.693 -4.304 1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.815 -2.958 1.376 1.00 0.00 H new ATOM 0 HG LEU A 8 8.523 -4.984 -0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.659 -3.071 -2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.648 -3.422 -0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.778 -2.048 -0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.084 -3.533 -2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.296 -2.529 -0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.839 -4.223 -0.646 1.00 0.00 H new ATOM 87 N ARG A 9 9.846 -4.096 3.980 1.00 0.00 N ATOM 88 CA ARG A 9 9.600 -4.149 5.417 1.00 0.00 C ATOM 89 C ARG A 9 8.409 -3.275 5.798 1.00 0.00 C ATOM 90 O ARG A 9 8.007 -2.391 5.041 1.00 0.00 O ATOM 91 CB ARG A 9 10.844 -3.699 6.185 1.00 0.00 C ATOM 92 CG ARG A 9 11.221 -2.248 5.938 1.00 0.00 C ATOM 93 CD ARG A 9 12.626 -1.945 6.430 1.00 0.00 C ATOM 94 NE ARG A 9 12.997 -0.549 6.207 1.00 0.00 N ATOM 95 CZ ARG A 9 14.252 -0.105 6.213 1.00 0.00 C ATOM 96 NH1 ARG A 9 15.258 -0.942 6.431 1.00 0.00 N ATOM 97 NH2 ARG A 9 14.501 1.179 6.001 1.00 0.00 N ATOM 0 H ARG A 9 10.374 -3.280 3.672 1.00 0.00 H new ATOM 0 HA ARG A 9 9.370 -5.181 5.683 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.674 -3.845 7.252 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.683 -4.336 5.906 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.153 -2.030 4.872 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.509 -1.595 6.443 1.00 0.00 H new ATOM 0 HD2 ARG A 9 12.694 -2.172 7.494 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.337 -2.595 5.919 1.00 0.00 H new ATOM 0 HE ARG A 9 12.250 0.125 6.037 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.072 -1.931 6.595 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.218 -0.596 6.434 1.00 0.00 H new ATOM 0 HH21 ARG A 9 13.731 1.827 5.833 1.00 0.00 H new ATOM 0 HH22 ARG A 9 15.462 1.520 6.006 1.00 0.00 H new ATOM 111 N LEU A 10 7.849 -3.529 6.976 1.00 0.00 N ATOM 112 CA LEU A 10 6.704 -2.766 7.458 1.00 0.00 C ATOM 113 C LEU A 10 7.139 -1.397 7.973 1.00 0.00 C ATOM 114 O LEU A 10 7.725 -1.286 9.050 1.00 0.00 O ATOM 115 CB LEU A 10 5.984 -3.535 8.568 1.00 0.00 C ATOM 116 CG LEU A 10 5.702 -5.007 8.258 1.00 0.00 C ATOM 117 CD1 LEU A 10 5.964 -5.873 9.480 1.00 0.00 C ATOM 118 CD2 LEU A 10 4.270 -5.185 7.774 1.00 0.00 C ATOM 0 H LEU A 10 8.170 -4.257 7.614 1.00 0.00 H new ATOM 0 HA LEU A 10 6.019 -2.619 6.623 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.584 -3.479 9.476 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.038 -3.036 8.780 1.00 0.00 H new ATOM 0 HG LEU A 10 6.377 -5.325 7.463 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.757 -6.916 9.238 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.006 -5.770 9.782 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.316 -5.555 10.297 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.087 -6.238 7.558 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.580 -4.848 8.547 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.116 -4.597 6.869 1.00 0.00 H new ATOM 130 N GLY A 11 6.848 -0.359 7.196 1.00 0.00 N ATOM 131 CA GLY A 11 7.217 0.988 7.590 1.00 0.00 C ATOM 132 C GLY A 11 8.241 1.606 6.658 1.00 0.00 C ATOM 133 O GLY A 11 9.118 2.350 7.096 1.00 0.00 O ATOM 0 H GLY A 11 6.363 -0.426 6.301 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.325 1.614 7.611 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.617 0.970 8.604 1.00 0.00 H new ATOM 137 N ASP A 12 8.130 1.295 5.370 1.00 0.00 N ATOM 138 CA ASP A 12 9.054 1.826 4.374 1.00 0.00 C ATOM 139 C ASP A 12 8.318 2.697 3.360 1.00 0.00 C ATOM 140 O ASP A 12 7.184 2.405 2.983 1.00 0.00 O ATOM 141 CB ASP A 12 9.771 0.682 3.654 1.00 0.00 C ATOM 142 CG ASP A 12 10.935 1.169 2.812 1.00 0.00 C ATOM 143 OD1 ASP A 12 10.696 1.604 1.665 1.00 0.00 O ATOM 144 OD2 ASP A 12 12.083 1.114 3.299 1.00 0.00 O ATOM 0 H ASP A 12 7.410 0.679 4.992 1.00 0.00 H new ATOM 0 HA ASP A 12 9.791 2.442 4.889 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.133 -0.036 4.389 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.061 0.155 3.017 1.00 0.00 H new ATOM 149 N ARG A 13 8.973 3.769 2.925 1.00 0.00 N ATOM 150 CA ARG A 13 8.381 4.683 1.956 1.00 0.00 C ATOM 151 C ARG A 13 8.496 4.126 0.541 1.00 0.00 C ATOM 152 O ARG A 13 9.589 3.794 0.080 1.00 0.00 O ATOM 153 CB ARG A 13 9.057 6.054 2.036 1.00 0.00 C ATOM 154 CG ARG A 13 8.280 7.068 2.861 1.00 0.00 C ATOM 155 CD ARG A 13 9.075 7.536 4.069 1.00 0.00 C ATOM 156 NE ARG A 13 8.755 8.913 4.435 1.00 0.00 N ATOM 157 CZ ARG A 13 9.511 9.665 5.234 1.00 0.00 C ATOM 158 NH1 ARG A 13 10.632 9.174 5.751 1.00 0.00 N ATOM 159 NH2 ARG A 13 9.146 10.907 5.515 1.00 0.00 N ATOM 0 H ARG A 13 9.913 4.025 3.228 1.00 0.00 H new ATOM 0 HA ARG A 13 7.324 4.794 2.197 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.052 5.935 2.465 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.190 6.444 1.027 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.025 7.926 2.238 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.341 6.625 3.193 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.870 6.879 4.914 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.141 7.456 3.855 1.00 0.00 H new ATOM 0 HE ARG A 13 7.902 9.324 4.056 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.917 8.218 5.537 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.208 9.753 6.362 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.286 11.288 5.120 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.725 11.483 6.127 1.00 0.00 H new ATOM 173 N VAL A 14 7.361 4.024 -0.145 1.00 0.00 N ATOM 174 CA VAL A 14 7.335 3.507 -1.507 1.00 0.00 C ATOM 175 C VAL A 14 6.479 4.388 -2.413 1.00 0.00 C ATOM 176 O VAL A 14 5.574 5.079 -1.946 1.00 0.00 O ATOM 177 CB VAL A 14 6.794 2.066 -1.551 1.00 0.00 C ATOM 178 CG1 VAL A 14 7.816 1.094 -0.983 1.00 0.00 C ATOM 179 CG2 VAL A 14 5.476 1.967 -0.797 1.00 0.00 C ATOM 0 H VAL A 14 6.448 4.293 0.221 1.00 0.00 H new ATOM 0 HA VAL A 14 8.364 3.511 -1.867 1.00 0.00 H new ATOM 0 HB VAL A 14 6.612 1.798 -2.592 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.416 0.081 -1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.733 1.145 -1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.033 1.358 0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.109 0.942 -0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.629 2.255 0.243 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.744 2.633 -1.254 1.00 0.00 H new ATOM 189 N LEU A 15 6.771 4.355 -3.708 1.00 0.00 N ATOM 190 CA LEU A 15 6.027 5.150 -4.679 1.00 0.00 C ATOM 191 C LEU A 15 4.975 4.301 -5.385 1.00 0.00 C ATOM 192 O LEU A 15 5.297 3.296 -6.019 1.00 0.00 O ATOM 193 CB LEU A 15 6.980 5.760 -5.708 1.00 0.00 C ATOM 194 CG LEU A 15 6.426 6.965 -6.469 1.00 0.00 C ATOM 195 CD1 LEU A 15 6.010 8.062 -5.502 1.00 0.00 C ATOM 196 CD2 LEU A 15 7.455 7.488 -7.461 1.00 0.00 C ATOM 0 H LEU A 15 7.517 3.787 -4.110 1.00 0.00 H new ATOM 0 HA LEU A 15 5.521 5.952 -4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.896 6.061 -5.199 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.254 4.989 -6.428 1.00 0.00 H new ATOM 0 HG LEU A 15 5.544 6.646 -7.025 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.618 8.911 -6.062 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.239 7.683 -4.831 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.874 8.380 -4.918 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.044 8.345 -7.994 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.355 7.791 -6.926 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.704 6.703 -8.175 1.00 0.00 H new ATOM 208 N VAL A 16 3.716 4.713 -5.270 1.00 0.00 N ATOM 209 CA VAL A 16 2.616 3.990 -5.897 1.00 0.00 C ATOM 210 C VAL A 16 2.196 4.655 -7.203 1.00 0.00 C ATOM 211 O VAL A 16 1.559 5.708 -7.198 1.00 0.00 O ATOM 212 CB VAL A 16 1.395 3.904 -4.963 1.00 0.00 C ATOM 213 CG1 VAL A 16 0.337 2.982 -5.548 1.00 0.00 C ATOM 214 CG2 VAL A 16 1.814 3.435 -3.577 1.00 0.00 C ATOM 0 H VAL A 16 3.433 5.543 -4.749 1.00 0.00 H new ATOM 0 HA VAL A 16 2.977 2.983 -6.104 1.00 0.00 H new ATOM 0 HB VAL A 16 0.963 4.900 -4.869 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.518 2.935 -4.873 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.014 3.366 -6.516 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.755 1.983 -5.675 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.938 3.380 -2.931 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.273 2.449 -3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.532 4.139 -3.156 1.00 0.00 H new ATOM 224 N GLY A 17 2.556 4.032 -8.321 1.00 0.00 N ATOM 225 CA GLY A 17 2.208 4.579 -9.620 1.00 0.00 C ATOM 226 C GLY A 17 3.339 5.381 -10.233 1.00 0.00 C ATOM 227 O GLY A 17 3.491 5.417 -11.453 1.00 0.00 O ATOM 0 H GLY A 17 3.082 3.159 -8.351 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.937 3.765 -10.293 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.329 5.215 -9.519 1.00 0.00 H new ATOM 231 N GLY A 18 4.132 6.026 -9.385 1.00 0.00 N ATOM 232 CA GLY A 18 5.245 6.822 -9.868 1.00 0.00 C ATOM 233 C GLY A 18 5.051 8.304 -9.612 1.00 0.00 C ATOM 234 O GLY A 18 5.492 9.139 -10.402 1.00 0.00 O ATOM 0 H GLY A 18 4.024 6.012 -8.371 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.163 6.490 -9.383 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.371 6.654 -10.938 1.00 0.00 H new ATOM 238 N THR A 19 4.390 8.630 -8.506 1.00 0.00 N ATOM 239 CA THR A 19 4.139 10.021 -8.149 1.00 0.00 C ATOM 240 C THR A 19 3.617 10.130 -6.720 1.00 0.00 C ATOM 241 O THR A 19 4.110 10.931 -5.926 1.00 0.00 O ATOM 242 CB THR A 19 3.136 10.645 -9.120 1.00 0.00 C ATOM 243 OG1 THR A 19 2.245 9.664 -9.621 1.00 0.00 O ATOM 244 CG2 THR A 19 3.792 11.318 -10.307 1.00 0.00 C ATOM 0 H THR A 19 4.019 7.950 -7.842 1.00 0.00 H new ATOM 0 HA THR A 19 5.082 10.563 -8.214 1.00 0.00 H new ATOM 0 HB THR A 19 2.606 11.401 -8.541 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.611 10.083 -10.239 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.025 11.740 -10.956 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.449 12.114 -9.957 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.376 10.585 -10.864 1.00 0.00 H new ATOM 252 N LYS A 20 2.614 9.317 -6.398 1.00 0.00 N ATOM 253 CA LYS A 20 2.026 9.322 -5.064 1.00 0.00 C ATOM 254 C LYS A 20 2.931 8.605 -4.068 1.00 0.00 C ATOM 255 O LYS A 20 3.080 7.385 -4.115 1.00 0.00 O ATOM 256 CB LYS A 20 0.648 8.658 -5.089 1.00 0.00 C ATOM 257 CG LYS A 20 -0.225 9.114 -6.246 1.00 0.00 C ATOM 258 CD LYS A 20 -0.367 8.031 -7.303 1.00 0.00 C ATOM 259 CE LYS A 20 -1.665 8.175 -8.081 1.00 0.00 C ATOM 260 NZ LYS A 20 -2.821 7.595 -7.343 1.00 0.00 N ATOM 0 H LYS A 20 2.193 8.648 -7.042 1.00 0.00 H new ATOM 0 HA LYS A 20 1.916 10.359 -4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.776 7.577 -5.145 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.134 8.870 -4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.211 9.389 -5.872 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.206 10.008 -6.697 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.477 8.080 -7.991 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.334 7.051 -6.827 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.854 9.230 -8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.566 7.681 -9.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.687 7.713 -7.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.653 6.583 -7.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.932 8.084 -6.432 1.00 0.00 H new ATOM 274 N THR A 21 3.534 9.373 -3.166 1.00 0.00 N ATOM 275 CA THR A 21 4.425 8.813 -2.157 1.00 0.00 C ATOM 276 C THR A 21 3.636 8.315 -0.951 1.00 0.00 C ATOM 277 O THR A 21 2.860 9.061 -0.353 1.00 0.00 O ATOM 278 CB THR A 21 5.449 9.859 -1.715 1.00 0.00 C ATOM 279 OG1 THR A 21 4.835 10.857 -0.918 1.00 0.00 O ATOM 280 CG2 THR A 21 6.134 10.553 -2.872 1.00 0.00 C ATOM 0 H THR A 21 3.421 10.385 -3.114 1.00 0.00 H new ATOM 0 HA THR A 21 4.949 7.966 -2.600 1.00 0.00 H new ATOM 0 HB THR A 21 6.199 9.307 -1.148 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.944 10.555 -0.644 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.847 11.282 -2.488 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.660 9.816 -3.479 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.389 11.062 -3.484 1.00 0.00 H new ATOM 288 N GLY A 22 3.841 7.051 -0.597 1.00 0.00 N ATOM 289 CA GLY A 22 3.141 6.476 0.537 1.00 0.00 C ATOM 290 C GLY A 22 3.992 5.479 1.298 1.00 0.00 C ATOM 291 O GLY A 22 4.864 4.829 0.722 1.00 0.00 O ATOM 0 H GLY A 22 4.479 6.414 -1.075 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.831 7.274 1.212 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.234 5.983 0.188 1.00 0.00 H new ATOM 295 N VAL A 23 3.738 5.358 2.597 1.00 0.00 N ATOM 296 CA VAL A 23 4.487 4.433 3.439 1.00 0.00 C ATOM 297 C VAL A 23 3.844 3.051 3.445 1.00 0.00 C ATOM 298 O VAL A 23 2.626 2.921 3.317 1.00 0.00 O ATOM 299 CB VAL A 23 4.589 4.945 4.888 1.00 0.00 C ATOM 300 CG1 VAL A 23 5.549 4.084 5.694 1.00 0.00 C ATOM 301 CG2 VAL A 23 5.019 6.404 4.910 1.00 0.00 C ATOM 0 H VAL A 23 3.019 5.889 3.089 1.00 0.00 H new ATOM 0 HA VAL A 23 5.489 4.364 3.016 1.00 0.00 H new ATOM 0 HB VAL A 23 3.604 4.875 5.349 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.607 4.462 6.715 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.190 3.055 5.708 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.538 4.117 5.238 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.086 6.748 5.942 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.993 6.504 4.431 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.287 7.007 4.373 1.00 0.00 H new ATOM 311 N VAL A 24 4.669 2.020 3.595 1.00 0.00 N ATOM 312 CA VAL A 24 4.181 0.647 3.620 1.00 0.00 C ATOM 313 C VAL A 24 3.584 0.301 4.980 1.00 0.00 C ATOM 314 O VAL A 24 4.277 0.329 5.998 1.00 0.00 O ATOM 315 CB VAL A 24 5.305 -0.356 3.294 1.00 0.00 C ATOM 316 CG1 VAL A 24 4.745 -1.766 3.172 1.00 0.00 C ATOM 317 CG2 VAL A 24 6.032 0.048 2.020 1.00 0.00 C ATOM 0 H VAL A 24 5.679 2.110 3.701 1.00 0.00 H new ATOM 0 HA VAL A 24 3.407 0.573 2.857 1.00 0.00 H new ATOM 0 HB VAL A 24 6.024 -0.344 4.113 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.553 -2.460 2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.277 -2.054 4.113 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.003 -1.795 2.374 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.822 -0.673 1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.326 0.069 1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.470 1.038 2.149 1.00 0.00 H new ATOM 327 N ARG A 25 2.296 -0.023 4.989 1.00 0.00 N ATOM 328 CA ARG A 25 1.605 -0.374 6.224 1.00 0.00 C ATOM 329 C ARG A 25 1.429 -1.884 6.340 1.00 0.00 C ATOM 330 O ARG A 25 1.376 -2.430 7.443 1.00 0.00 O ATOM 331 CB ARG A 25 0.241 0.316 6.283 1.00 0.00 C ATOM 332 CG ARG A 25 0.326 1.809 6.553 1.00 0.00 C ATOM 333 CD ARG A 25 0.343 2.107 8.043 1.00 0.00 C ATOM 334 NE ARG A 25 0.257 3.539 8.317 1.00 0.00 N ATOM 335 CZ ARG A 25 1.289 4.375 8.224 1.00 0.00 C ATOM 336 NH1 ARG A 25 2.485 3.927 7.863 1.00 0.00 N ATOM 337 NH2 ARG A 25 1.124 5.662 8.492 1.00 0.00 N ATOM 0 H ARG A 25 1.709 -0.050 4.155 1.00 0.00 H new ATOM 0 HA ARG A 25 2.214 -0.033 7.061 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.279 0.155 5.339 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.360 -0.152 7.062 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.227 2.212 6.090 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.523 2.312 6.090 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.491 1.595 8.524 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.258 1.709 8.482 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.647 3.921 8.596 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.617 2.937 7.655 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.272 4.572 7.794 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.207 6.012 8.769 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.914 6.303 8.421 1.00 0.00 H new ATOM 351 N TYR A 26 1.339 -2.556 5.196 1.00 0.00 N ATOM 352 CA TYR A 26 1.168 -4.003 5.170 1.00 0.00 C ATOM 353 C TYR A 26 2.151 -4.649 4.202 1.00 0.00 C ATOM 354 O TYR A 26 2.548 -4.042 3.206 1.00 0.00 O ATOM 355 CB TYR A 26 -0.266 -4.362 4.776 1.00 0.00 C ATOM 356 CG TYR A 26 -0.645 -5.788 5.100 1.00 0.00 C ATOM 357 CD1 TYR A 26 -1.063 -6.143 6.378 1.00 0.00 C ATOM 358 CD2 TYR A 26 -0.585 -6.783 4.131 1.00 0.00 C ATOM 359 CE1 TYR A 26 -1.410 -7.446 6.679 1.00 0.00 C ATOM 360 CE2 TYR A 26 -0.931 -8.087 4.424 1.00 0.00 C ATOM 361 CZ TYR A 26 -1.343 -8.414 5.699 1.00 0.00 C ATOM 362 OH TYR A 26 -1.687 -9.713 5.996 1.00 0.00 O ATOM 0 H TYR A 26 1.382 -2.120 4.275 1.00 0.00 H new ATOM 0 HA TYR A 26 1.368 -4.385 6.171 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.953 -3.688 5.287 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.392 -4.196 3.706 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.117 -5.388 7.148 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.262 -6.532 3.132 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.732 -7.705 7.677 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.879 -8.847 3.659 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.586 -10.269 5.196 1.00 0.00 H new ATOM 372 N VAL A 27 2.542 -5.884 4.498 1.00 0.00 N ATOM 373 CA VAL A 27 3.479 -6.614 3.654 1.00 0.00 C ATOM 374 C VAL A 27 3.258 -8.118 3.760 1.00 0.00 C ATOM 375 O VAL A 27 3.634 -8.743 4.752 1.00 0.00 O ATOM 376 CB VAL A 27 4.939 -6.290 4.028 1.00 0.00 C ATOM 377 CG1 VAL A 27 5.900 -6.925 3.035 1.00 0.00 C ATOM 378 CG2 VAL A 27 5.151 -4.786 4.099 1.00 0.00 C ATOM 0 H VAL A 27 2.223 -6.401 5.318 1.00 0.00 H new ATOM 0 HA VAL A 27 3.296 -6.296 2.628 1.00 0.00 H new ATOM 0 HB VAL A 27 5.143 -6.709 5.013 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.925 -6.685 3.316 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.766 -8.007 3.040 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.698 -6.539 2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.187 -4.577 4.364 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.928 -4.341 3.129 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.490 -4.361 4.854 1.00 0.00 H new ATOM 388 N GLY A 28 2.643 -8.694 2.731 1.00 0.00 N ATOM 389 CA GLY A 28 2.382 -10.121 2.728 1.00 0.00 C ATOM 390 C GLY A 28 1.245 -10.498 1.798 1.00 0.00 C ATOM 391 O GLY A 28 0.939 -9.770 0.854 1.00 0.00 O ATOM 0 H GLY A 28 2.321 -8.198 1.900 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.285 -10.652 2.428 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.143 -10.446 3.741 1.00 0.00 H new ATOM 395 N GLU A 29 0.617 -11.638 2.066 1.00 0.00 N ATOM 396 CA GLU A 29 -0.493 -12.109 1.247 1.00 0.00 C ATOM 397 C GLU A 29 -1.810 -11.498 1.712 1.00 0.00 C ATOM 398 O GLU A 29 -1.837 -10.689 2.640 1.00 0.00 O ATOM 399 CB GLU A 29 -0.581 -13.636 1.298 1.00 0.00 C ATOM 400 CG GLU A 29 0.656 -14.335 0.759 1.00 0.00 C ATOM 401 CD GLU A 29 0.790 -15.757 1.270 1.00 0.00 C ATOM 402 OE1 GLU A 29 -0.249 -16.377 1.578 1.00 0.00 O ATOM 403 OE2 GLU A 29 1.934 -16.250 1.361 1.00 0.00 O ATOM 0 H GLU A 29 0.858 -12.252 2.844 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.310 -11.796 0.219 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.744 -13.948 2.330 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.450 -13.961 0.726 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.617 -14.346 -0.330 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.542 -13.766 1.041 1.00 0.00 H new ATOM 410 N THR A 30 -2.901 -11.890 1.062 1.00 0.00 N ATOM 411 CA THR A 30 -4.222 -11.381 1.410 1.00 0.00 C ATOM 412 C THR A 30 -5.249 -12.508 1.436 1.00 0.00 C ATOM 413 O THR A 30 -4.916 -13.671 1.205 1.00 0.00 O ATOM 414 CB THR A 30 -4.657 -10.305 0.414 1.00 0.00 C ATOM 415 OG1 THR A 30 -4.215 -10.625 -0.893 1.00 0.00 O ATOM 416 CG2 THR A 30 -4.130 -8.928 0.754 1.00 0.00 C ATOM 0 H THR A 30 -2.896 -12.558 0.292 1.00 0.00 H new ATOM 0 HA THR A 30 -4.163 -10.942 2.406 1.00 0.00 H new ATOM 0 HB THR A 30 -5.745 -10.283 0.468 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.608 -11.478 -1.171 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.475 -8.212 0.008 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.494 -8.632 1.738 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.040 -8.947 0.761 1.00 0.00 H new ATOM 424 N ASP A 31 -6.498 -12.156 1.720 1.00 0.00 N ATOM 425 CA ASP A 31 -7.574 -13.139 1.777 1.00 0.00 C ATOM 426 C ASP A 31 -8.555 -12.938 0.626 1.00 0.00 C ATOM 427 O ASP A 31 -9.749 -13.201 0.762 1.00 0.00 O ATOM 428 CB ASP A 31 -8.312 -13.040 3.113 1.00 0.00 C ATOM 429 CG ASP A 31 -7.592 -13.777 4.226 1.00 0.00 C ATOM 430 OD1 ASP A 31 -6.726 -13.161 4.883 1.00 0.00 O ATOM 431 OD2 ASP A 31 -7.894 -14.970 4.441 1.00 0.00 O ATOM 0 H ASP A 31 -6.790 -11.198 1.914 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.132 -14.131 1.686 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.422 -11.991 3.387 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.317 -13.448 3.001 1.00 0.00 H new ATOM 436 N PHE A 32 -8.041 -12.472 -0.507 1.00 0.00 N ATOM 437 CA PHE A 32 -8.870 -12.237 -1.683 1.00 0.00 C ATOM 438 C PHE A 32 -8.049 -12.367 -2.962 1.00 0.00 C ATOM 439 O PHE A 32 -8.457 -13.040 -3.907 1.00 0.00 O ATOM 440 CB PHE A 32 -9.511 -10.849 -1.613 1.00 0.00 C ATOM 441 CG PHE A 32 -8.514 -9.734 -1.487 1.00 0.00 C ATOM 442 CD1 PHE A 32 -8.087 -9.305 -0.240 1.00 0.00 C ATOM 443 CD2 PHE A 32 -8.003 -9.114 -2.616 1.00 0.00 C ATOM 444 CE1 PHE A 32 -7.169 -8.278 -0.122 1.00 0.00 C ATOM 445 CE2 PHE A 32 -7.085 -8.086 -2.504 1.00 0.00 C ATOM 446 CZ PHE A 32 -6.668 -7.669 -1.256 1.00 0.00 C ATOM 0 H PHE A 32 -7.054 -12.250 -0.636 1.00 0.00 H new ATOM 0 HA PHE A 32 -9.656 -12.992 -1.699 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.111 -10.689 -2.509 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.192 -10.815 -0.763 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.476 -9.778 0.649 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.325 -9.437 -3.595 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.844 -7.952 0.855 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.695 -7.610 -3.392 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.950 -6.867 -1.166 1.00 0.00 H new ATOM 456 N ALA A 33 -6.890 -11.717 -2.982 1.00 0.00 N ATOM 457 CA ALA A 33 -6.010 -11.760 -4.143 1.00 0.00 C ATOM 458 C ALA A 33 -4.744 -12.556 -3.841 1.00 0.00 C ATOM 459 O ALA A 33 -3.904 -12.127 -3.051 1.00 0.00 O ATOM 460 CB ALA A 33 -5.655 -10.350 -4.589 1.00 0.00 C ATOM 0 H ALA A 33 -6.539 -11.154 -2.207 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.540 -12.262 -4.952 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.997 -10.398 -5.457 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.565 -9.812 -4.853 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.147 -9.829 -3.777 1.00 0.00 H new ATOM 466 N LYS A 34 -4.616 -13.717 -4.475 1.00 0.00 N ATOM 467 CA LYS A 34 -3.453 -14.572 -4.273 1.00 0.00 C ATOM 468 C LYS A 34 -2.171 -13.855 -4.687 1.00 0.00 C ATOM 469 O LYS A 34 -2.215 -12.800 -5.318 1.00 0.00 O ATOM 470 CB LYS A 34 -3.604 -15.871 -5.067 1.00 0.00 C ATOM 471 CG LYS A 34 -3.136 -17.104 -4.310 1.00 0.00 C ATOM 472 CD LYS A 34 -3.972 -17.342 -3.063 1.00 0.00 C ATOM 473 CE LYS A 34 -3.701 -18.713 -2.465 1.00 0.00 C ATOM 474 NZ LYS A 34 -4.161 -19.810 -3.360 1.00 0.00 N ATOM 0 H LYS A 34 -5.303 -14.087 -5.132 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.388 -14.809 -3.211 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.651 -15.999 -5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.038 -15.788 -5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.195 -17.976 -4.961 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.089 -16.985 -4.030 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.753 -16.572 -2.324 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.030 -17.254 -3.310 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.633 -18.822 -2.276 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.205 -18.795 -1.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.261 -20.687 -2.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.079 -19.556 -3.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.464 -19.954 -4.119 1.00 0.00 H new ATOM 488 N GLY A 35 -1.032 -14.437 -4.326 1.00 0.00 N ATOM 489 CA GLY A 35 0.245 -13.840 -4.668 1.00 0.00 C ATOM 490 C GLY A 35 0.840 -13.049 -3.520 1.00 0.00 C ATOM 491 O GLY A 35 1.020 -13.575 -2.422 1.00 0.00 O ATOM 0 H GLY A 35 -0.971 -15.311 -3.803 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.942 -14.624 -4.965 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.117 -13.184 -5.529 1.00 0.00 H new ATOM 495 N GLU A 36 1.146 -11.780 -3.773 1.00 0.00 N ATOM 496 CA GLU A 36 1.724 -10.915 -2.752 1.00 0.00 C ATOM 497 C GLU A 36 1.285 -9.468 -2.952 1.00 0.00 C ATOM 498 O GLU A 36 1.329 -8.943 -4.064 1.00 0.00 O ATOM 499 CB GLU A 36 3.251 -11.007 -2.782 1.00 0.00 C ATOM 500 CG GLU A 36 3.887 -11.018 -1.401 1.00 0.00 C ATOM 501 CD GLU A 36 5.010 -12.028 -1.284 1.00 0.00 C ATOM 502 OE1 GLU A 36 5.600 -12.383 -2.326 1.00 0.00 O ATOM 503 OE2 GLU A 36 5.301 -12.465 -0.151 1.00 0.00 O ATOM 0 H GLU A 36 1.003 -11.329 -4.676 1.00 0.00 H new ATOM 0 HA GLU A 36 1.366 -11.252 -1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.542 -11.913 -3.314 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.646 -10.164 -3.348 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.273 -10.024 -1.175 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.124 -11.241 -0.655 1.00 0.00 H new ATOM 510 N TRP A 37 0.864 -8.828 -1.866 1.00 0.00 N ATOM 511 CA TRP A 37 0.419 -7.440 -1.921 1.00 0.00 C ATOM 512 C TRP A 37 1.071 -6.616 -0.816 1.00 0.00 C ATOM 513 O TRP A 37 1.406 -7.139 0.246 1.00 0.00 O ATOM 514 CB TRP A 37 -1.104 -7.365 -1.797 1.00 0.00 C ATOM 515 CG TRP A 37 -1.825 -8.001 -2.947 1.00 0.00 C ATOM 516 CD1 TRP A 37 -2.005 -9.336 -3.165 1.00 0.00 C ATOM 517 CD2 TRP A 37 -2.464 -7.326 -4.037 1.00 0.00 C ATOM 518 NE1 TRP A 37 -2.715 -9.533 -4.324 1.00 0.00 N ATOM 519 CE2 TRP A 37 -3.009 -8.315 -4.877 1.00 0.00 C ATOM 520 CE3 TRP A 37 -2.629 -5.981 -4.384 1.00 0.00 C ATOM 521 CZ2 TRP A 37 -3.707 -8.001 -6.042 1.00 0.00 C ATOM 522 CZ3 TRP A 37 -3.321 -5.672 -5.539 1.00 0.00 C ATOM 523 CH2 TRP A 37 -3.852 -6.677 -6.356 1.00 0.00 C ATOM 0 H TRP A 37 0.822 -9.248 -0.937 1.00 0.00 H new ATOM 0 HA TRP A 37 0.719 -7.027 -2.884 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.411 -7.852 -0.871 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.404 -6.320 -1.722 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.642 -10.123 -2.520 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.980 -10.439 -4.710 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.223 -5.198 -3.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.118 -8.774 -6.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.455 -4.637 -5.817 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.387 -6.402 -7.253 1.00 0.00 H new ATOM 534 N CYS A 38 1.250 -5.325 -1.073 1.00 0.00 N ATOM 535 CA CYS A 38 1.862 -4.429 -0.100 1.00 0.00 C ATOM 536 C CYS A 38 1.034 -3.159 0.065 1.00 0.00 C ATOM 537 O CYS A 38 0.974 -2.323 -0.836 1.00 0.00 O ATOM 538 CB CYS A 38 3.287 -4.074 -0.530 1.00 0.00 C ATOM 539 SG CYS A 38 4.570 -5.044 0.300 1.00 0.00 S ATOM 0 H CYS A 38 0.980 -4.876 -1.948 1.00 0.00 H new ATOM 0 HA CYS A 38 1.898 -4.943 0.860 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.377 -4.218 -1.607 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.462 -3.016 -0.334 1.00 0.00 H new ATOM 0 HG CYS A 38 5.361 -4.247 0.955 1.00 0.00 H new ATOM 545 N GLY A 39 0.397 -3.021 1.223 1.00 0.00 N ATOM 546 CA GLY A 39 -0.419 -1.851 1.487 1.00 0.00 C ATOM 547 C GLY A 39 0.405 -0.586 1.613 1.00 0.00 C ATOM 548 O GLY A 39 1.383 -0.545 2.361 1.00 0.00 O ATOM 0 H GLY A 39 0.432 -3.699 1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.145 -1.729 0.683 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.984 -2.006 2.406 1.00 0.00 H new ATOM 552 N VAL A 40 0.010 0.451 0.880 1.00 0.00 N ATOM 553 CA VAL A 40 0.718 1.724 0.912 1.00 0.00 C ATOM 554 C VAL A 40 -0.218 2.862 1.307 1.00 0.00 C ATOM 555 O VAL A 40 -1.266 3.057 0.691 1.00 0.00 O ATOM 556 CB VAL A 40 1.354 2.048 -0.453 1.00 0.00 C ATOM 557 CG1 VAL A 40 2.247 3.274 -0.348 1.00 0.00 C ATOM 558 CG2 VAL A 40 2.135 0.852 -0.973 1.00 0.00 C ATOM 0 H VAL A 40 -0.797 0.433 0.257 1.00 0.00 H new ATOM 0 HA VAL A 40 1.507 1.629 1.658 1.00 0.00 H new ATOM 0 HB VAL A 40 0.557 2.269 -1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.688 3.488 -1.322 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.654 4.129 -0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.040 3.086 0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.578 1.098 -1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.925 0.598 -0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.463 0.001 -1.088 1.00 0.00 H new ATOM 568 N GLU A 41 0.166 3.608 2.336 1.00 0.00 N ATOM 569 CA GLU A 41 -0.640 4.727 2.811 1.00 0.00 C ATOM 570 C GLU A 41 -0.154 6.042 2.213 1.00 0.00 C ATOM 571 O GLU A 41 0.831 6.618 2.673 1.00 0.00 O ATOM 572 CB GLU A 41 -0.595 4.801 4.338 1.00 0.00 C ATOM 573 CG GLU A 41 -1.679 5.684 4.936 1.00 0.00 C ATOM 574 CD GLU A 41 -1.158 6.579 6.043 1.00 0.00 C ATOM 575 OE1 GLU A 41 0.032 6.956 5.991 1.00 0.00 O ATOM 576 OE2 GLU A 41 -1.940 6.903 6.961 1.00 0.00 O ATOM 0 H GLU A 41 1.030 3.459 2.857 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.669 4.563 2.491 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.692 3.795 4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.380 5.177 4.647 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.114 6.301 4.150 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.479 5.056 5.328 1.00 0.00 H new ATOM 583 N LEU A 42 -0.852 6.511 1.185 1.00 0.00 N ATOM 584 CA LEU A 42 -0.493 7.759 0.522 1.00 0.00 C ATOM 585 C LEU A 42 -0.625 8.940 1.479 1.00 0.00 C ATOM 586 O LEU A 42 -1.311 8.853 2.497 1.00 0.00 O ATOM 587 CB LEU A 42 -1.377 7.981 -0.706 1.00 0.00 C ATOM 588 CG LEU A 42 -1.228 6.930 -1.807 1.00 0.00 C ATOM 589 CD1 LEU A 42 -2.164 7.235 -2.967 1.00 0.00 C ATOM 590 CD2 LEU A 42 0.214 6.865 -2.287 1.00 0.00 C ATOM 0 H LEU A 42 -1.670 6.045 0.792 1.00 0.00 H new ATOM 0 HA LEU A 42 0.547 7.687 0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.419 8.005 -0.386 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.150 8.961 -1.126 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.499 5.958 -1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.044 6.477 -3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.195 7.232 -2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.925 8.215 -3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.303 6.112 -3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.510 7.837 -2.682 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.863 6.599 -1.453 1.00 0.00 H new ATOM 602 N ASP A 43 0.038 10.042 1.144 1.00 0.00 N ATOM 603 CA ASP A 43 -0.005 11.240 1.975 1.00 0.00 C ATOM 604 C ASP A 43 -1.210 12.105 1.622 1.00 0.00 C ATOM 605 O ASP A 43 -1.768 12.790 2.480 1.00 0.00 O ATOM 606 CB ASP A 43 1.284 12.048 1.807 1.00 0.00 C ATOM 607 CG ASP A 43 2.367 11.617 2.776 1.00 0.00 C ATOM 608 OD1 ASP A 43 2.634 10.401 2.865 1.00 0.00 O ATOM 609 OD2 ASP A 43 2.949 12.497 3.445 1.00 0.00 O ATOM 0 H ASP A 43 0.611 10.130 0.304 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.098 10.927 3.015 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.649 11.937 0.786 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.068 13.106 1.955 1.00 0.00 H new ATOM 614 N GLU A 44 -1.609 12.068 0.355 1.00 0.00 N ATOM 615 CA GLU A 44 -2.751 12.849 -0.109 1.00 0.00 C ATOM 616 C GLU A 44 -3.967 11.953 -0.337 1.00 0.00 C ATOM 617 O GLU A 44 -3.840 10.843 -0.853 1.00 0.00 O ATOM 618 CB GLU A 44 -2.398 13.587 -1.402 1.00 0.00 C ATOM 619 CG GLU A 44 -1.190 14.500 -1.271 1.00 0.00 C ATOM 620 CD GLU A 44 -0.774 15.111 -2.596 1.00 0.00 C ATOM 621 OE1 GLU A 44 -1.522 15.965 -3.116 1.00 0.00 O ATOM 622 OE2 GLU A 44 0.298 14.733 -3.113 1.00 0.00 O ATOM 0 H GLU A 44 -1.160 11.507 -0.368 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.999 13.578 0.662 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.207 12.856 -2.187 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.257 14.178 -1.719 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.417 15.297 -0.563 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.355 13.934 -0.858 1.00 0.00 H new ATOM 629 N PRO A 45 -5.168 12.424 0.044 1.00 0.00 N ATOM 630 CA PRO A 45 -6.406 11.655 -0.126 1.00 0.00 C ATOM 631 C PRO A 45 -6.607 11.198 -1.566 1.00 0.00 C ATOM 632 O PRO A 45 -7.235 11.893 -2.366 1.00 0.00 O ATOM 633 CB PRO A 45 -7.504 12.642 0.279 1.00 0.00 C ATOM 634 CG PRO A 45 -6.826 13.619 1.175 1.00 0.00 C ATOM 635 CD PRO A 45 -5.417 13.738 0.668 1.00 0.00 C ATOM 0 HA PRO A 45 -6.400 10.741 0.468 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.933 13.136 -0.593 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.321 12.136 0.792 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.331 14.585 1.153 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.841 13.275 2.209 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.316 14.551 -0.051 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.714 13.939 1.477 1.00 0.00 H new ATOM 643 N LEU A 46 -6.071 10.027 -1.893 1.00 0.00 N ATOM 644 CA LEU A 46 -6.194 9.480 -3.239 1.00 0.00 C ATOM 645 C LEU A 46 -6.182 7.955 -3.212 1.00 0.00 C ATOM 646 O LEU A 46 -5.720 7.310 -4.154 1.00 0.00 O ATOM 647 CB LEU A 46 -5.059 9.995 -4.126 1.00 0.00 C ATOM 648 CG LEU A 46 -5.143 11.479 -4.489 1.00 0.00 C ATOM 649 CD1 LEU A 46 -3.831 11.958 -5.089 1.00 0.00 C ATOM 650 CD2 LEU A 46 -6.294 11.725 -5.452 1.00 0.00 C ATOM 0 H LEU A 46 -5.547 9.439 -1.245 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.148 9.809 -3.652 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.111 9.814 -3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.045 9.412 -5.047 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.329 12.047 -3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.911 13.016 -5.341 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.027 11.816 -4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.613 11.386 -5.991 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.340 12.785 -5.700 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.137 11.146 -6.362 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.231 11.421 -4.985 1.00 0.00 H new ATOM 662 N GLY A 47 -6.694 7.382 -2.127 1.00 0.00 N ATOM 663 CA GLY A 47 -6.734 5.938 -1.998 1.00 0.00 C ATOM 664 C GLY A 47 -8.132 5.379 -2.175 1.00 0.00 C ATOM 665 O GLY A 47 -9.096 6.132 -2.310 1.00 0.00 O ATOM 0 H GLY A 47 -7.082 7.893 -1.334 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.071 5.492 -2.739 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.354 5.653 -1.017 1.00 0.00 H new ATOM 669 N LYS A 48 -8.243 4.054 -2.174 1.00 0.00 N ATOM 670 CA LYS A 48 -9.534 3.395 -2.336 1.00 0.00 C ATOM 671 C LYS A 48 -9.994 2.769 -1.024 1.00 0.00 C ATOM 672 O LYS A 48 -11.192 2.680 -0.753 1.00 0.00 O ATOM 673 CB LYS A 48 -9.451 2.324 -3.425 1.00 0.00 C ATOM 674 CG LYS A 48 -9.369 2.893 -4.832 1.00 0.00 C ATOM 675 CD LYS A 48 -10.178 2.063 -5.817 1.00 0.00 C ATOM 676 CE LYS A 48 -11.537 2.688 -6.088 1.00 0.00 C ATOM 677 NZ LYS A 48 -12.332 2.852 -4.840 1.00 0.00 N ATOM 0 H LYS A 48 -7.455 3.416 -2.063 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.263 4.149 -2.633 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.576 1.699 -3.243 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.325 1.677 -3.354 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.736 3.919 -4.832 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.328 2.926 -5.152 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.627 1.968 -6.753 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.312 1.056 -5.422 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.401 3.660 -6.562 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.090 2.065 -6.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.293 3.169 -5.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.383 1.942 -4.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.876 3.559 -4.228 1.00 0.00 H new ATOM 691 N ASN A 49 -9.035 2.338 -0.211 1.00 0.00 N ATOM 692 CA ASN A 49 -9.342 1.720 1.074 1.00 0.00 C ATOM 693 C ASN A 49 -8.299 2.097 2.122 1.00 0.00 C ATOM 694 O ASN A 49 -7.145 2.372 1.794 1.00 0.00 O ATOM 695 CB ASN A 49 -9.408 0.199 0.929 1.00 0.00 C ATOM 696 CG ASN A 49 -10.758 -0.275 0.425 1.00 0.00 C ATOM 697 OD1 ASN A 49 -11.780 -0.088 1.086 1.00 0.00 O ATOM 698 ND2 ASN A 49 -10.768 -0.893 -0.750 1.00 0.00 N ATOM 0 H ASN A 49 -8.039 2.405 -0.419 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.313 2.089 1.404 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.630 -0.132 0.241 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -9.200 -0.265 1.893 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.647 -1.235 -1.139 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.897 -1.026 -1.264 1.00 0.00 H new ATOM 705 N ASP A 50 -8.714 2.105 3.385 1.00 0.00 N ATOM 706 CA ASP A 50 -7.818 2.447 4.483 1.00 0.00 C ATOM 707 C ASP A 50 -7.216 1.190 5.103 1.00 0.00 C ATOM 708 O ASP A 50 -7.157 1.054 6.327 1.00 0.00 O ATOM 709 CB ASP A 50 -8.564 3.252 5.549 1.00 0.00 C ATOM 710 CG ASP A 50 -9.712 2.474 6.163 1.00 0.00 C ATOM 711 OD1 ASP A 50 -10.208 1.533 5.508 1.00 0.00 O ATOM 712 OD2 ASP A 50 -10.114 2.807 7.297 1.00 0.00 O ATOM 0 H ASP A 50 -9.666 1.878 3.673 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.008 3.057 4.082 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -7.866 3.545 6.334 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.948 4.170 5.105 1.00 0.00 H new ATOM 717 N GLY A 51 -6.770 0.272 4.252 1.00 0.00 N ATOM 718 CA GLY A 51 -6.179 -0.963 4.734 1.00 0.00 C ATOM 719 C GLY A 51 -7.220 -2.016 5.062 1.00 0.00 C ATOM 720 O GLY A 51 -6.966 -2.921 5.857 1.00 0.00 O ATOM 0 H GLY A 51 -6.807 0.361 3.237 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.497 -1.354 3.979 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.585 -0.755 5.624 1.00 0.00 H new ATOM 724 N ALA A 52 -8.394 -1.899 4.450 1.00 0.00 N ATOM 725 CA ALA A 52 -9.475 -2.850 4.683 1.00 0.00 C ATOM 726 C ALA A 52 -9.936 -3.486 3.376 1.00 0.00 C ATOM 727 O ALA A 52 -9.737 -2.927 2.297 1.00 0.00 O ATOM 728 CB ALA A 52 -10.640 -2.162 5.381 1.00 0.00 C ATOM 0 H ALA A 52 -8.621 -1.156 3.789 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.098 -3.644 5.328 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.440 -2.883 5.549 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.306 -1.761 6.338 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.009 -1.349 4.756 1.00 0.00 H new ATOM 734 N VAL A 53 -10.550 -4.660 3.480 1.00 0.00 N ATOM 735 CA VAL A 53 -11.040 -5.373 2.308 1.00 0.00 C ATOM 736 C VAL A 53 -12.284 -6.190 2.643 1.00 0.00 C ATOM 737 O VAL A 53 -12.211 -7.181 3.368 1.00 0.00 O ATOM 738 CB VAL A 53 -9.962 -6.312 1.732 1.00 0.00 C ATOM 739 CG1 VAL A 53 -10.414 -6.888 0.398 1.00 0.00 C ATOM 740 CG2 VAL A 53 -8.638 -5.577 1.583 1.00 0.00 C ATOM 0 H VAL A 53 -10.720 -5.137 4.365 1.00 0.00 H new ATOM 0 HA VAL A 53 -11.293 -4.620 1.561 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.816 -7.138 2.428 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.641 -7.549 0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.336 -7.452 0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.590 -6.076 -0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.889 -6.256 1.175 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.766 -4.730 0.909 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.309 -5.218 2.558 1.00 0.00 H new ATOM 750 N ALA A 54 -13.423 -5.766 2.108 1.00 0.00 N ATOM 751 CA ALA A 54 -14.685 -6.457 2.350 1.00 0.00 C ATOM 752 C ALA A 54 -15.049 -6.435 3.830 1.00 0.00 C ATOM 753 O ALA A 54 -15.707 -7.348 4.331 1.00 0.00 O ATOM 754 CB ALA A 54 -14.607 -7.890 1.843 1.00 0.00 C ATOM 0 H ALA A 54 -13.499 -4.948 1.504 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.469 -5.932 1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -15.555 -8.394 2.030 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -14.403 -7.887 0.772 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -13.807 -8.417 2.363 1.00 0.00 H new ATOM 760 N GLY A 55 -14.618 -5.389 4.527 1.00 0.00 N ATOM 761 CA GLY A 55 -14.911 -5.268 5.944 1.00 0.00 C ATOM 762 C GLY A 55 -13.727 -5.638 6.816 1.00 0.00 C ATOM 763 O GLY A 55 -13.572 -5.111 7.918 1.00 0.00 O ATOM 0 H GLY A 55 -14.071 -4.622 4.136 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -15.213 -4.244 6.163 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.756 -5.910 6.193 1.00 0.00 H new ATOM 767 N THR A 56 -12.890 -6.544 6.323 1.00 0.00 N ATOM 768 CA THR A 56 -11.715 -6.984 7.066 1.00 0.00 C ATOM 769 C THR A 56 -10.603 -5.941 6.990 1.00 0.00 C ATOM 770 O THR A 56 -10.195 -5.531 5.904 1.00 0.00 O ATOM 771 CB THR A 56 -11.213 -8.323 6.523 1.00 0.00 C ATOM 772 OG1 THR A 56 -12.241 -9.295 6.558 1.00 0.00 O ATOM 773 CG2 THR A 56 -10.032 -8.875 7.291 1.00 0.00 C ATOM 0 H THR A 56 -13.003 -6.988 5.412 1.00 0.00 H new ATOM 0 HA THR A 56 -12.001 -7.109 8.110 1.00 0.00 H new ATOM 0 HB THR A 56 -10.897 -8.120 5.500 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.901 -10.144 6.205 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.726 -9.826 6.854 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.203 -8.169 7.241 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.315 -9.029 8.332 1.00 0.00 H new ATOM 781 N ARG A 57 -10.115 -5.517 8.152 1.00 0.00 N ATOM 782 CA ARG A 57 -9.051 -4.523 8.217 1.00 0.00 C ATOM 783 C ARG A 57 -7.780 -5.122 8.810 1.00 0.00 C ATOM 784 O ARG A 57 -7.767 -5.562 9.959 1.00 0.00 O ATOM 785 CB ARG A 57 -9.497 -3.319 9.047 1.00 0.00 C ATOM 786 CG ARG A 57 -8.638 -2.082 8.836 1.00 0.00 C ATOM 787 CD ARG A 57 -9.384 -0.811 9.209 1.00 0.00 C ATOM 788 NE ARG A 57 -10.711 -0.753 8.598 1.00 0.00 N ATOM 789 CZ ARG A 57 -11.681 0.059 9.010 1.00 0.00 C ATOM 790 NH1 ARG A 57 -11.479 0.880 10.033 1.00 0.00 N ATOM 791 NH2 ARG A 57 -12.857 0.050 8.397 1.00 0.00 N ATOM 0 H ARG A 57 -10.440 -5.847 9.061 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.835 -4.194 7.201 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.531 -3.080 8.798 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.477 -3.589 10.103 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.731 -2.162 9.436 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.326 -2.029 7.793 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.482 -0.753 10.293 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.802 0.056 8.895 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.904 -1.371 7.810 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.576 0.891 10.508 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.226 1.500 10.344 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.017 -0.579 7.610 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.601 0.672 8.712 1.00 0.00 H new ATOM 805 N TYR A 58 -6.713 -5.133 8.018 1.00 0.00 N ATOM 806 CA TYR A 58 -5.435 -5.676 8.465 1.00 0.00 C ATOM 807 C TYR A 58 -4.660 -4.644 9.277 1.00 0.00 C ATOM 808 O TYR A 58 -4.166 -4.939 10.365 1.00 0.00 O ATOM 809 CB TYR A 58 -4.602 -6.128 7.264 1.00 0.00 C ATOM 810 CG TYR A 58 -5.337 -7.070 6.336 1.00 0.00 C ATOM 811 CD1 TYR A 58 -6.222 -6.584 5.382 1.00 0.00 C ATOM 812 CD2 TYR A 58 -5.145 -8.443 6.414 1.00 0.00 C ATOM 813 CE1 TYR A 58 -6.896 -7.440 4.533 1.00 0.00 C ATOM 814 CE2 TYR A 58 -5.814 -9.306 5.568 1.00 0.00 C ATOM 815 CZ TYR A 58 -6.689 -8.800 4.630 1.00 0.00 C ATOM 816 OH TYR A 58 -7.358 -9.656 3.785 1.00 0.00 O ATOM 0 H TYR A 58 -6.708 -4.772 7.064 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.637 -6.536 9.103 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.286 -5.250 6.701 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.698 -6.618 7.624 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.386 -5.519 5.303 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.461 -8.843 7.148 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.581 -7.046 3.797 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.653 -10.371 5.641 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.534 -9.204 2.933 1.00 0.00 H new ATOM 826 N PHE A 59 -4.560 -3.432 8.741 1.00 0.00 N ATOM 827 CA PHE A 59 -3.847 -2.353 9.415 1.00 0.00 C ATOM 828 C PHE A 59 -4.719 -1.108 9.523 1.00 0.00 C ATOM 829 O PHE A 59 -5.360 -0.700 8.554 1.00 0.00 O ATOM 830 CB PHE A 59 -2.554 -2.022 8.666 1.00 0.00 C ATOM 831 CG PHE A 59 -2.781 -1.525 7.268 1.00 0.00 C ATOM 832 CD1 PHE A 59 -2.876 -2.414 6.210 1.00 0.00 C ATOM 833 CD2 PHE A 59 -2.901 -0.169 7.011 1.00 0.00 C ATOM 834 CE1 PHE A 59 -3.085 -1.960 4.921 1.00 0.00 C ATOM 835 CE2 PHE A 59 -3.111 0.291 5.725 1.00 0.00 C ATOM 836 CZ PHE A 59 -3.202 -0.606 4.679 1.00 0.00 C ATOM 0 H PHE A 59 -4.964 -3.172 7.841 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.600 -2.689 10.422 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.002 -1.267 9.226 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.927 -2.913 8.629 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.786 -3.474 6.394 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.830 0.537 7.825 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.157 -2.664 4.105 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.204 1.351 5.538 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.365 -0.249 3.673 1.00 0.00 H new ATOM 846 N GLN A 60 -4.741 -0.508 10.709 1.00 0.00 N ATOM 847 CA GLN A 60 -5.537 0.690 10.946 1.00 0.00 C ATOM 848 C GLN A 60 -5.042 1.854 10.093 1.00 0.00 C ATOM 849 O GLN A 60 -3.836 2.052 9.935 1.00 0.00 O ATOM 850 CB GLN A 60 -5.492 1.073 12.426 1.00 0.00 C ATOM 851 CG GLN A 60 -6.344 2.284 12.768 1.00 0.00 C ATOM 852 CD GLN A 60 -7.829 1.981 12.733 1.00 0.00 C ATOM 853 OE1 GLN A 60 -8.293 1.022 13.352 1.00 0.00 O ATOM 854 NE2 GLN A 60 -8.583 2.796 12.006 1.00 0.00 N ATOM 0 H GLN A 60 -4.216 -0.833 11.521 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.567 0.471 10.664 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.826 0.224 13.023 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.459 1.275 12.709 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.074 2.645 13.760 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.124 3.088 12.066 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.156 3.578 11.510 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.589 2.640 11.944 1.00 0.00 H new ATOM 863 N CYS A 61 -5.979 2.621 9.546 1.00 0.00 N ATOM 864 CA CYS A 61 -5.640 3.766 8.709 1.00 0.00 C ATOM 865 C CYS A 61 -6.872 4.627 8.439 1.00 0.00 C ATOM 866 O CYS A 61 -8.002 4.142 8.496 1.00 0.00 O ATOM 867 CB CYS A 61 -5.030 3.297 7.387 1.00 0.00 C ATOM 868 SG CYS A 61 -3.222 3.308 7.365 1.00 0.00 S ATOM 0 H CYS A 61 -6.980 2.470 9.668 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.907 4.370 9.244 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.379 2.286 7.176 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.397 3.935 6.583 1.00 0.00 H new ATOM 0 HG CYS A 61 -2.771 2.775 8.462 1.00 0.00 H new ATOM 874 N PRO A 62 -6.669 5.922 8.143 1.00 0.00 N ATOM 875 CA PRO A 62 -7.771 6.851 7.865 1.00 0.00 C ATOM 876 C PRO A 62 -8.458 6.555 6.533 1.00 0.00 C ATOM 877 O PRO A 62 -7.827 6.062 5.598 1.00 0.00 O ATOM 878 CB PRO A 62 -7.082 8.216 7.819 1.00 0.00 C ATOM 879 CG PRO A 62 -5.674 7.916 7.439 1.00 0.00 C ATOM 880 CD PRO A 62 -5.354 6.584 8.056 1.00 0.00 C ATOM 0 HA PRO A 62 -8.560 6.782 8.614 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.557 8.875 7.092 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.133 8.718 8.785 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.561 7.881 6.355 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.998 8.688 7.805 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.657 6.014 7.442 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -4.895 6.696 9.038 1.00 0.00 H new ATOM 888 N PRO A 63 -9.766 6.852 6.427 1.00 0.00 N ATOM 889 CA PRO A 63 -10.532 6.614 5.199 1.00 0.00 C ATOM 890 C PRO A 63 -9.947 7.355 4.001 1.00 0.00 C ATOM 891 O PRO A 63 -9.560 8.518 4.107 1.00 0.00 O ATOM 892 CB PRO A 63 -11.928 7.155 5.527 1.00 0.00 C ATOM 893 CG PRO A 63 -11.997 7.172 7.015 1.00 0.00 C ATOM 894 CD PRO A 63 -10.598 7.441 7.490 1.00 0.00 C ATOM 0 HA PRO A 63 -10.527 5.561 4.919 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.071 8.154 5.114 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -12.706 6.520 5.103 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -12.683 7.943 7.365 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -12.364 6.220 7.400 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.409 8.508 7.605 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.404 6.977 8.457 1.00 0.00 H new ATOM 902 N LYS A 64 -9.886 6.673 2.862 1.00 0.00 N ATOM 903 CA LYS A 64 -9.349 7.268 1.644 1.00 0.00 C ATOM 904 C LYS A 64 -7.899 7.698 1.841 1.00 0.00 C ATOM 905 O LYS A 64 -7.571 8.881 1.748 1.00 0.00 O ATOM 906 CB LYS A 64 -10.200 8.468 1.219 1.00 0.00 C ATOM 907 CG LYS A 64 -11.600 8.090 0.764 1.00 0.00 C ATOM 908 CD LYS A 64 -11.612 7.639 -0.688 1.00 0.00 C ATOM 909 CE LYS A 64 -11.706 6.127 -0.801 1.00 0.00 C ATOM 910 NZ LYS A 64 -12.404 5.704 -2.046 1.00 0.00 N ATOM 0 H LYS A 64 -10.202 5.709 2.757 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.380 6.515 0.857 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.274 9.164 2.054 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.693 8.994 0.410 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.986 7.291 1.397 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.266 8.944 0.886 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.455 8.097 -1.205 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.706 7.986 -1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.704 5.699 -0.784 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.237 5.731 0.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.447 4.666 -2.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.369 6.091 -2.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.884 6.060 -2.873 1.00 0.00 H new ATOM 924 N PHE A 65 -7.032 6.727 2.114 1.00 0.00 N ATOM 925 CA PHE A 65 -5.616 7.003 2.323 1.00 0.00 C ATOM 926 C PHE A 65 -4.763 5.809 1.903 1.00 0.00 C ATOM 927 O PHE A 65 -3.765 5.964 1.200 1.00 0.00 O ATOM 928 CB PHE A 65 -5.353 7.342 3.792 1.00 0.00 C ATOM 929 CG PHE A 65 -5.322 8.818 4.068 1.00 0.00 C ATOM 930 CD1 PHE A 65 -4.140 9.533 3.953 1.00 0.00 C ATOM 931 CD2 PHE A 65 -6.474 9.490 4.443 1.00 0.00 C ATOM 932 CE1 PHE A 65 -4.109 10.892 4.207 1.00 0.00 C ATOM 933 CE2 PHE A 65 -6.449 10.848 4.698 1.00 0.00 C ATOM 934 CZ PHE A 65 -5.264 11.550 4.580 1.00 0.00 C ATOM 0 H PHE A 65 -7.286 5.743 2.195 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.342 7.858 1.706 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.126 6.881 4.407 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.402 6.904 4.094 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.233 9.023 3.662 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.402 8.946 4.537 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.182 11.438 4.114 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.354 11.360 4.989 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.242 12.611 4.779 1.00 0.00 H new ATOM 944 N GLY A 66 -5.165 4.619 2.337 1.00 0.00 N ATOM 945 CA GLY A 66 -4.429 3.418 1.995 1.00 0.00 C ATOM 946 C GLY A 66 -4.660 2.986 0.560 1.00 0.00 C ATOM 947 O GLY A 66 -5.701 3.284 -0.025 1.00 0.00 O ATOM 0 H GLY A 66 -5.988 4.466 2.920 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.364 3.591 2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.724 2.611 2.666 1.00 0.00 H new ATOM 951 N LEU A 67 -3.686 2.283 -0.008 1.00 0.00 N ATOM 952 CA LEU A 67 -3.789 1.811 -1.384 1.00 0.00 C ATOM 953 C LEU A 67 -3.043 0.493 -1.566 1.00 0.00 C ATOM 954 O LEU A 67 -1.812 0.460 -1.569 1.00 0.00 O ATOM 955 CB LEU A 67 -3.235 2.861 -2.348 1.00 0.00 C ATOM 956 CG LEU A 67 -3.738 2.750 -3.788 1.00 0.00 C ATOM 957 CD1 LEU A 67 -5.259 2.760 -3.823 1.00 0.00 C ATOM 958 CD2 LEU A 67 -3.176 3.881 -4.636 1.00 0.00 C ATOM 0 H LEU A 67 -2.818 2.028 0.462 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.843 1.644 -1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.487 3.851 -1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.147 2.789 -2.353 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.391 1.804 -4.203 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.600 2.680 -4.855 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.642 1.917 -3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.627 3.690 -3.390 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.544 3.787 -5.658 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.494 4.838 -4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.087 3.829 -4.636 1.00 0.00 H new ATOM 970 N PHE A 68 -3.795 -0.591 -1.721 1.00 0.00 N ATOM 971 CA PHE A 68 -3.204 -1.911 -1.906 1.00 0.00 C ATOM 972 C PHE A 68 -2.704 -2.086 -3.335 1.00 0.00 C ATOM 973 O PHE A 68 -3.431 -1.829 -4.294 1.00 0.00 O ATOM 974 CB PHE A 68 -4.225 -3.002 -1.575 1.00 0.00 C ATOM 975 CG PHE A 68 -4.501 -3.141 -0.105 1.00 0.00 C ATOM 976 CD1 PHE A 68 -3.636 -3.852 0.712 1.00 0.00 C ATOM 977 CD2 PHE A 68 -5.627 -2.563 0.460 1.00 0.00 C ATOM 978 CE1 PHE A 68 -3.888 -3.982 2.064 1.00 0.00 C ATOM 979 CE2 PHE A 68 -5.885 -2.690 1.811 1.00 0.00 C ATOM 980 CZ PHE A 68 -5.014 -3.400 2.615 1.00 0.00 C ATOM 0 H PHE A 68 -4.815 -0.582 -1.722 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.355 -2.000 -1.228 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.159 -2.783 -2.092 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.863 -3.955 -1.960 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.755 -4.310 0.287 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.311 -2.007 -0.164 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.206 -4.538 2.690 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.766 -2.235 2.238 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.213 -3.500 3.672 1.00 0.00 H new ATOM 990 N ALA A 69 -1.457 -2.528 -3.471 1.00 0.00 N ATOM 991 CA ALA A 69 -0.862 -2.738 -4.785 1.00 0.00 C ATOM 992 C ALA A 69 0.146 -3.885 -4.752 1.00 0.00 C ATOM 993 O ALA A 69 0.830 -4.091 -3.751 1.00 0.00 O ATOM 994 CB ALA A 69 -0.194 -1.460 -5.270 1.00 0.00 C ATOM 0 H ALA A 69 -0.841 -2.747 -2.688 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.657 -3.006 -5.481 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.247 -1.630 -6.252 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.936 -0.665 -5.338 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.587 -1.169 -4.568 1.00 0.00 H new ATOM 1000 N PRO A 70 0.251 -4.651 -5.853 1.00 0.00 N ATOM 1001 CA PRO A 70 1.183 -5.780 -5.941 1.00 0.00 C ATOM 1002 C PRO A 70 2.613 -5.374 -5.600 1.00 0.00 C ATOM 1003 O PRO A 70 3.021 -4.239 -5.844 1.00 0.00 O ATOM 1004 CB PRO A 70 1.085 -6.213 -7.406 1.00 0.00 C ATOM 1005 CG PRO A 70 -0.256 -5.744 -7.854 1.00 0.00 C ATOM 1006 CD PRO A 70 -0.527 -4.476 -7.094 1.00 0.00 C ATOM 0 HA PRO A 70 0.933 -6.571 -5.234 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.880 -5.767 -8.004 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.179 -7.294 -7.506 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.267 -5.564 -8.929 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.020 -6.493 -7.648 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.204 -3.596 -7.651 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.590 -4.350 -6.888 1.00 0.00 H new ATOM 1014 N ILE A 71 3.368 -6.310 -5.033 1.00 0.00 N ATOM 1015 CA ILE A 71 4.753 -6.048 -4.655 1.00 0.00 C ATOM 1016 C ILE A 71 5.573 -5.579 -5.854 1.00 0.00 C ATOM 1017 O ILE A 71 6.314 -4.598 -5.765 1.00 0.00 O ATOM 1018 CB ILE A 71 5.415 -7.298 -4.041 1.00 0.00 C ATOM 1019 CG1 ILE A 71 6.836 -6.977 -3.566 1.00 0.00 C ATOM 1020 CG2 ILE A 71 5.430 -8.442 -5.046 1.00 0.00 C ATOM 1021 CD1 ILE A 71 7.054 -7.240 -2.092 1.00 0.00 C ATOM 0 H ILE A 71 3.045 -7.255 -4.825 1.00 0.00 H new ATOM 0 HA ILE A 71 4.733 -5.256 -3.906 1.00 0.00 H new ATOM 0 HB ILE A 71 4.828 -7.609 -3.177 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.546 -7.571 -4.142 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.053 -5.930 -3.776 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.901 -9.316 -4.596 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.408 -8.688 -5.333 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.992 -8.142 -5.930 1.00 0.00 H new ATOM 0 HD11 ILE A 71 8.081 -6.991 -1.826 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.369 -6.626 -1.508 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.869 -8.293 -1.879 1.00 0.00 H new ATOM 1033 N HIS A 72 5.436 -6.280 -6.975 1.00 0.00 N ATOM 1034 CA HIS A 72 6.167 -5.929 -8.188 1.00 0.00 C ATOM 1035 C HIS A 72 5.774 -4.539 -8.678 1.00 0.00 C ATOM 1036 O HIS A 72 6.547 -3.872 -9.366 1.00 0.00 O ATOM 1037 CB HIS A 72 5.905 -6.963 -9.285 1.00 0.00 C ATOM 1038 CG HIS A 72 4.454 -7.265 -9.494 1.00 0.00 C ATOM 1039 ND1 HIS A 72 3.792 -8.311 -8.891 1.00 0.00 N ATOM 1040 CD2 HIS A 72 3.532 -6.632 -10.263 1.00 0.00 C ATOM 1041 CE1 HIS A 72 2.518 -8.284 -9.303 1.00 0.00 C ATOM 1042 NE2 HIS A 72 2.307 -7.284 -10.136 1.00 0.00 N ATOM 0 H HIS A 72 4.827 -7.093 -7.069 1.00 0.00 H new ATOM 0 HA HIS A 72 7.231 -5.923 -7.951 1.00 0.00 H new ATOM 0 HB2 HIS A 72 6.330 -6.602 -10.221 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.427 -7.886 -9.033 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.718 -5.762 -10.875 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.762 -8.990 -8.993 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.429 -7.038 -10.593 1.00 0.00 H new ATOM 1050 N LYS A 73 4.569 -4.106 -8.318 1.00 0.00 N ATOM 1051 CA LYS A 73 4.078 -2.794 -8.721 1.00 0.00 C ATOM 1052 C LYS A 73 4.601 -1.703 -7.789 1.00 0.00 C ATOM 1053 O LYS A 73 4.685 -0.536 -8.172 1.00 0.00 O ATOM 1054 CB LYS A 73 2.548 -2.781 -8.732 1.00 0.00 C ATOM 1055 CG LYS A 73 1.941 -3.631 -9.838 1.00 0.00 C ATOM 1056 CD LYS A 73 1.072 -2.801 -10.770 1.00 0.00 C ATOM 1057 CE LYS A 73 0.240 -3.684 -11.688 1.00 0.00 C ATOM 1058 NZ LYS A 73 0.850 -3.808 -13.041 1.00 0.00 N ATOM 0 H LYS A 73 3.916 -4.645 -7.749 1.00 0.00 H new ATOM 0 HA LYS A 73 4.445 -2.591 -9.727 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.183 -3.138 -7.769 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.202 -1.753 -8.843 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.737 -4.107 -10.410 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.344 -4.429 -9.398 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.413 -2.162 -10.182 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.703 -2.144 -11.369 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.137 -4.674 -11.244 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.764 -3.269 -11.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.253 -4.417 -13.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.925 -2.866 -13.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.798 -4.227 -12.957 1.00 0.00 H new ATOM 1072 N VAL A 74 4.950 -2.088 -6.565 1.00 0.00 N ATOM 1073 CA VAL A 74 5.462 -1.140 -5.584 1.00 0.00 C ATOM 1074 C VAL A 74 6.897 -0.737 -5.906 1.00 0.00 C ATOM 1075 O VAL A 74 7.700 -1.559 -6.349 1.00 0.00 O ATOM 1076 CB VAL A 74 5.413 -1.723 -4.158 1.00 0.00 C ATOM 1077 CG1 VAL A 74 5.791 -0.664 -3.133 1.00 0.00 C ATOM 1078 CG2 VAL A 74 4.035 -2.297 -3.861 1.00 0.00 C ATOM 0 H VAL A 74 4.887 -3.049 -6.230 1.00 0.00 H new ATOM 0 HA VAL A 74 4.820 -0.260 -5.631 1.00 0.00 H new ATOM 0 HB VAL A 74 6.139 -2.533 -4.093 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.750 -1.095 -2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.801 -0.307 -3.334 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.092 0.170 -3.197 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.020 -2.704 -2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.287 -1.509 -3.946 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.810 -3.090 -4.574 1.00 0.00 H new ATOM 1088 N ILE A 75 7.214 0.534 -5.682 1.00 0.00 N ATOM 1089 CA ILE A 75 8.552 1.048 -5.948 1.00 0.00 C ATOM 1090 C ILE A 75 9.112 1.773 -4.729 1.00 0.00 C ATOM 1091 O ILE A 75 8.360 2.296 -3.906 1.00 0.00 O ATOM 1092 CB ILE A 75 8.556 2.010 -7.152 1.00 0.00 C ATOM 1093 CG1 ILE A 75 7.866 1.364 -8.355 1.00 0.00 C ATOM 1094 CG2 ILE A 75 9.981 2.412 -7.506 1.00 0.00 C ATOM 1095 CD1 ILE A 75 7.024 2.330 -9.160 1.00 0.00 C ATOM 0 H ILE A 75 6.561 1.227 -5.316 1.00 0.00 H new ATOM 0 HA ILE A 75 9.182 0.189 -6.179 1.00 0.00 H new ATOM 0 HB ILE A 75 8.002 2.908 -6.879 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.623 0.925 -9.005 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.234 0.548 -8.006 1.00 0.00 H new ATOM 0 HG21 ILE A 75 9.966 3.091 -8.358 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.441 2.910 -6.653 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.557 1.523 -7.761 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.565 1.803 -9.997 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.244 2.750 -8.524 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.655 3.134 -9.540 1.00 0.00 H new ATOM 1107 N ARG A 76 10.436 1.802 -4.620 1.00 0.00 N ATOM 1108 CA ARG A 76 11.095 2.466 -3.502 1.00 0.00 C ATOM 1109 C ARG A 76 11.593 3.850 -3.907 1.00 0.00 C ATOM 1110 O ARG A 76 11.959 4.076 -5.061 1.00 0.00 O ATOM 1111 CB ARG A 76 12.264 1.616 -2.996 1.00 0.00 C ATOM 1112 CG ARG A 76 12.272 1.429 -1.487 1.00 0.00 C ATOM 1113 CD ARG A 76 13.009 0.161 -1.087 1.00 0.00 C ATOM 1114 NE ARG A 76 12.784 -0.182 0.316 1.00 0.00 N ATOM 1115 CZ ARG A 76 13.554 -1.021 1.006 1.00 0.00 C ATOM 1116 NH1 ARG A 76 14.597 -1.604 0.428 1.00 0.00 N ATOM 1117 NH2 ARG A 76 13.280 -1.279 2.278 1.00 0.00 N ATOM 0 H ARG A 76 11.073 1.374 -5.292 1.00 0.00 H new ATOM 0 HA ARG A 76 10.366 2.584 -2.700 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.225 0.638 -3.475 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.201 2.083 -3.301 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.745 2.290 -1.015 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.247 1.387 -1.119 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.681 -0.664 -1.719 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.077 0.292 -1.262 1.00 0.00 H new ATOM 0 HE ARG A 76 11.991 0.246 0.794 1.00 0.00 H new ATOM 0 HH11 ARG A 76 14.812 -1.410 -0.550 1.00 0.00 H new ATOM 0 HH12 ARG A 76 15.183 -2.246 0.962 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.479 -0.835 2.728 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.870 -1.922 2.807 1.00 0.00 H new ATOM 1131 N ILE A 77 11.601 4.774 -2.952 1.00 0.00 N ATOM 1132 CA ILE A 77 12.053 6.135 -3.212 1.00 0.00 C ATOM 1133 C ILE A 77 12.816 6.701 -2.018 1.00 0.00 C ATOM 1134 O ILE A 77 12.884 7.917 -1.834 1.00 0.00 O ATOM 1135 CB ILE A 77 10.868 7.067 -3.535 1.00 0.00 C ATOM 1136 CG1 ILE A 77 9.800 6.965 -2.445 1.00 0.00 C ATOM 1137 CG2 ILE A 77 10.281 6.722 -4.895 1.00 0.00 C ATOM 1138 CD1 ILE A 77 8.978 8.226 -2.286 1.00 0.00 C ATOM 0 H ILE A 77 11.300 4.605 -1.992 1.00 0.00 H new ATOM 0 HA ILE A 77 12.717 6.087 -4.075 1.00 0.00 H new ATOM 0 HB ILE A 77 11.229 8.095 -3.567 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.134 6.133 -2.676 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.282 6.733 -1.495 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.445 7.388 -5.110 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.046 6.841 -5.662 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.930 5.690 -4.889 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.241 8.082 -1.496 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.633 9.057 -2.024 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.467 8.448 -3.223 1.00 0.00 H new ATOM 1150 N GLY A 78 13.390 5.814 -1.209 1.00 0.00 N ATOM 1151 CA GLY A 78 14.140 6.248 -0.045 1.00 0.00 C ATOM 1152 C GLY A 78 13.328 7.142 0.872 1.00 0.00 C ATOM 1153 O GLY A 78 12.213 6.795 1.261 1.00 0.00 O ATOM 0 H GLY A 78 13.349 4.803 -1.340 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.478 5.374 0.512 1.00 0.00 H new ATOM 0 HA3 GLY A 78 15.032 6.783 -0.371 1.00 0.00 H new ATOM 1157 N SER A 79 13.888 8.297 1.216 1.00 0.00 N ATOM 1158 CA SER A 79 13.209 9.245 2.092 1.00 0.00 C ATOM 1159 C SER A 79 13.408 10.676 1.600 1.00 0.00 C ATOM 1160 O SER A 79 14.033 10.904 0.565 1.00 0.00 O ATOM 1161 CB SER A 79 13.724 9.109 3.526 1.00 0.00 C ATOM 1162 OG SER A 79 15.140 9.137 3.563 1.00 0.00 O ATOM 0 H SER A 79 14.810 8.599 0.902 1.00 0.00 H new ATOM 0 HA SER A 79 12.143 9.018 2.076 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.325 9.918 4.138 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.364 8.175 3.958 1.00 0.00 H new ATOM 0 HG SER A 79 15.445 9.050 4.490 1.00 0.00 H new ATOM 1168 N GLY A 80 12.873 11.635 2.348 1.00 0.00 N ATOM 1169 CA GLY A 80 13.004 13.030 1.970 1.00 0.00 C ATOM 1170 C GLY A 80 13.474 13.904 3.119 1.00 0.00 C ATOM 1171 O GLY A 80 14.658 13.901 3.456 1.00 0.00 O ATOM 0 H GLY A 80 12.351 11.471 3.209 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.709 13.114 1.143 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.043 13.397 1.609 1.00 0.00 H new ATOM 1175 N PRO A 81 12.564 14.672 3.745 1.00 0.00 N ATOM 1176 CA PRO A 81 12.912 15.553 4.864 1.00 0.00 C ATOM 1177 C PRO A 81 13.176 14.779 6.152 1.00 0.00 C ATOM 1178 O PRO A 81 13.198 13.549 6.156 1.00 0.00 O ATOM 1179 CB PRO A 81 11.674 16.436 5.015 1.00 0.00 C ATOM 1180 CG PRO A 81 10.552 15.595 4.512 1.00 0.00 C ATOM 1181 CD PRO A 81 11.128 14.745 3.412 1.00 0.00 C ATOM 0 HA PRO A 81 13.830 16.110 4.675 1.00 0.00 H new ATOM 0 HB2 PRO A 81 11.518 16.726 6.054 1.00 0.00 H new ATOM 0 HB3 PRO A 81 11.770 17.356 4.438 1.00 0.00 H new ATOM 0 HG2 PRO A 81 10.142 14.975 5.309 1.00 0.00 H new ATOM 0 HG3 PRO A 81 9.737 16.215 4.139 1.00 0.00 H new ATOM 0 HD2 PRO A 81 10.671 13.756 3.389 1.00 0.00 H new ATOM 0 HD3 PRO A 81 10.966 15.194 2.432 1.00 0.00 H new ATOM 1189 N SER A 82 13.375 15.510 7.245 1.00 0.00 N ATOM 1190 CA SER A 82 13.636 14.895 8.541 1.00 0.00 C ATOM 1191 C SER A 82 12.457 15.099 9.486 1.00 0.00 C ATOM 1192 O SER A 82 11.951 14.145 10.077 1.00 0.00 O ATOM 1193 CB SER A 82 14.907 15.479 9.160 1.00 0.00 C ATOM 1194 OG SER A 82 16.060 15.056 8.453 1.00 0.00 O ATOM 0 H SER A 82 13.360 16.530 7.258 1.00 0.00 H new ATOM 0 HA SER A 82 13.775 13.825 8.386 1.00 0.00 H new ATOM 0 HB2 SER A 82 14.851 16.568 9.153 1.00 0.00 H new ATOM 0 HB3 SER A 82 14.982 15.170 10.203 1.00 0.00 H new ATOM 0 HG SER A 82 16.859 15.444 8.867 1.00 0.00 H new ATOM 1200 N SER A 83 12.025 16.348 9.623 1.00 0.00 N ATOM 1201 CA SER A 83 10.904 16.677 10.496 1.00 0.00 C ATOM 1202 C SER A 83 9.902 17.577 9.779 1.00 0.00 C ATOM 1203 O SER A 83 10.209 18.722 9.446 1.00 0.00 O ATOM 1204 CB SER A 83 11.407 17.364 11.768 1.00 0.00 C ATOM 1205 OG SER A 83 11.568 16.431 12.821 1.00 0.00 O ATOM 0 H SER A 83 12.434 17.149 9.141 1.00 0.00 H new ATOM 0 HA SER A 83 10.401 15.749 10.767 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.358 17.858 11.567 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.703 18.139 12.069 1.00 0.00 H new ATOM 0 HG SER A 83 11.892 16.894 13.622 1.00 0.00 H new ATOM 1211 N GLY A 84 8.705 17.051 9.544 1.00 0.00 N ATOM 1212 CA GLY A 84 7.677 17.821 8.867 1.00 0.00 C ATOM 1213 C GLY A 84 6.954 17.016 7.805 1.00 0.00 C ATOM 1214 O GLY A 84 7.124 17.326 6.607 1.00 0.00 O ATOM 1215 OXT GLY A 84 6.220 16.075 8.170 1.00 0.00 O ATOM 0 H GLY A 84 8.428 16.106 9.810 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.955 18.181 9.600 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.129 18.700 8.407 1.00 0.00 H new TER 1219 GLY A 84