USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 728 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 SER OG : rot 180:sc= 0.531 USER MOD Set 1.2: A 113 ASN : amide:sc= 0.835 X(o=1.4,f=0.95) USER MOD Single : A 1 ALA N :NH3+ -111:sc= 0.0517 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 165:sc= -0.268 USER MOD Single : A 11 SER OG : rot 180:sc= -0.0921 USER MOD Single : A 17 THR OG1 : rot 92:sc= 1.29 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.159 K(o=-0.16,f=-0.86) USER MOD Single : A 30 THR OG1 : rot 87:sc= 0.669 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -1.53! C(o=-1.5!,f=-4.1!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.56! C(o=-1.6!,f=-6.8!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.116 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc=-0.00378 X(o=-0.0038,f=-0.28) USER MOD Single : A 62 SER OG : rot 44:sc= -0.119 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 160:sc= -0.0159 USER MOD Single : A 66 SER OG : rot 180:sc=-0.000588 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -64:sc= 1.26 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0256 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 118:sc= -0.402 USER MOD Single : A 90 THR OG1 : rot -46:sc= 0.0861 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0.011) USER MOD Single : A 98 SER OG : rot -4:sc= 0.0603 USER MOD Single : A 103 ASN : amide:sc= -0.16 K(o=-0.16,f=-1.2) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.614 5.059 16.081 1.00 0.00 N ATOM 2 CA ALA A 1 -17.018 4.148 14.991 1.00 0.00 C ATOM 3 C ALA A 1 -16.006 3.019 14.851 1.00 0.00 C ATOM 4 O ALA A 1 -14.821 3.197 15.149 1.00 0.00 O ATOM 5 CB ALA A 1 -17.148 4.915 13.684 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.281 4.969 16.874 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.657 4.811 16.404 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.620 6.039 15.734 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.989 3.716 15.234 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.446 4.231 12.889 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.901 5.695 13.793 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.190 5.369 13.432 1.00 0.00 H new ATOM 11 N ALA A 2 -16.463 1.859 14.407 1.00 0.00 N ATOM 12 CA ALA A 2 -15.585 0.713 14.247 1.00 0.00 C ATOM 13 C ALA A 2 -15.401 0.354 12.780 1.00 0.00 C ATOM 14 O ALA A 2 -16.316 -0.169 12.141 1.00 0.00 O ATOM 15 CB ALA A 2 -16.132 -0.478 15.014 1.00 0.00 C ATOM 0 H ALA A 2 -17.435 1.687 14.152 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.609 0.981 14.651 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -15.465 -1.331 14.886 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -16.202 -0.228 16.073 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -17.122 -0.732 14.635 1.00 0.00 H new ATOM 21 N PRO A 3 -14.218 0.643 12.223 1.00 0.00 N ATOM 22 CA PRO A 3 -13.908 0.336 10.829 1.00 0.00 C ATOM 23 C PRO A 3 -13.546 -1.137 10.643 1.00 0.00 C ATOM 24 O PRO A 3 -13.093 -1.796 11.581 1.00 0.00 O ATOM 25 CB PRO A 3 -12.704 1.229 10.538 1.00 0.00 C ATOM 26 CG PRO A 3 -12.015 1.380 11.851 1.00 0.00 C ATOM 27 CD PRO A 3 -13.086 1.294 12.910 1.00 0.00 C ATOM 0 HA PRO A 3 -14.752 0.511 10.162 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.046 0.776 9.796 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.015 2.195 10.141 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.269 0.598 11.990 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.491 2.334 11.906 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.752 0.711 13.769 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.360 2.281 13.282 1.00 0.00 H new ATOM 35 N THR A 4 -13.741 -1.653 9.445 1.00 0.00 N ATOM 36 CA THR A 4 -13.440 -3.044 9.168 1.00 0.00 C ATOM 37 C THR A 4 -12.448 -3.160 8.017 1.00 0.00 C ATOM 38 O THR A 4 -12.835 -3.189 6.849 1.00 0.00 O ATOM 39 CB THR A 4 -14.720 -3.835 8.831 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.796 -3.406 9.676 1.00 0.00 O ATOM 41 CG2 THR A 4 -14.495 -5.327 9.019 1.00 0.00 C ATOM 0 H THR A 4 -14.106 -1.131 8.649 1.00 0.00 H new ATOM 0 HA THR A 4 -12.995 -3.470 10.068 1.00 0.00 H new ATOM 0 HB THR A 4 -14.975 -3.646 7.788 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.606 -3.911 9.456 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.410 -5.866 8.776 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.692 -5.660 8.361 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.221 -5.526 10.055 1.00 0.00 H new ATOM 49 N ALA A 5 -11.166 -3.192 8.348 1.00 0.00 N ATOM 50 CA ALA A 5 -10.124 -3.310 7.343 1.00 0.00 C ATOM 51 C ALA A 5 -9.800 -4.773 7.084 1.00 0.00 C ATOM 52 O ALA A 5 -8.933 -5.354 7.740 1.00 0.00 O ATOM 53 CB ALA A 5 -8.877 -2.560 7.781 1.00 0.00 C ATOM 0 H ALA A 5 -10.823 -3.138 9.307 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.486 -2.866 6.416 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.106 -2.658 7.017 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.117 -1.506 7.921 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.513 -2.977 8.720 1.00 0.00 H new ATOM 59 N THR A 6 -10.502 -5.365 6.135 1.00 0.00 N ATOM 60 CA THR A 6 -10.300 -6.760 5.800 1.00 0.00 C ATOM 61 C THR A 6 -9.253 -6.902 4.702 1.00 0.00 C ATOM 62 O THR A 6 -9.564 -6.843 3.512 1.00 0.00 O ATOM 63 CB THR A 6 -11.617 -7.416 5.351 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.715 -6.828 6.062 1.00 0.00 O ATOM 65 CG2 THR A 6 -11.592 -8.914 5.614 1.00 0.00 C ATOM 0 H THR A 6 -11.220 -4.898 5.581 1.00 0.00 H new ATOM 0 HA THR A 6 -9.946 -7.269 6.697 1.00 0.00 H new ATOM 0 HB THR A 6 -11.736 -7.251 4.280 1.00 0.00 H new ATOM 0 HG1 THR A 6 -13.553 -7.246 5.773 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.534 -9.356 5.289 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.768 -9.367 5.062 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.456 -9.094 6.680 1.00 0.00 H new ATOM 73 N VAL A 7 -8.007 -7.059 5.111 1.00 0.00 N ATOM 74 CA VAL A 7 -6.909 -7.212 4.172 1.00 0.00 C ATOM 75 C VAL A 7 -6.396 -8.650 4.186 1.00 0.00 C ATOM 76 O VAL A 7 -6.428 -9.319 5.219 1.00 0.00 O ATOM 77 CB VAL A 7 -5.748 -6.237 4.480 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.162 -4.805 4.183 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.284 -6.372 5.923 1.00 0.00 C ATOM 0 H VAL A 7 -7.729 -7.084 6.092 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.293 -6.973 3.180 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.910 -6.498 3.834 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.333 -4.133 4.405 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.430 -4.715 3.130 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.020 -4.539 4.800 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.468 -5.674 6.109 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.113 -6.148 6.594 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.939 -7.390 6.100 1.00 0.00 H new ATOM 89 N THR A 8 -5.949 -9.129 3.039 1.00 0.00 N ATOM 90 CA THR A 8 -5.432 -10.485 2.934 1.00 0.00 C ATOM 91 C THR A 8 -3.931 -10.463 2.657 1.00 0.00 C ATOM 92 O THR A 8 -3.504 -10.297 1.517 1.00 0.00 O ATOM 93 CB THR A 8 -6.158 -11.269 1.822 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.560 -10.973 1.860 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.956 -12.772 1.982 1.00 0.00 C ATOM 0 H THR A 8 -5.933 -8.601 2.167 1.00 0.00 H new ATOM 0 HA THR A 8 -5.612 -10.987 3.885 1.00 0.00 H new ATOM 0 HB THR A 8 -5.737 -10.965 0.864 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.019 -11.471 1.151 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.480 -13.297 1.183 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.892 -13.004 1.931 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.351 -13.092 2.946 1.00 0.00 H new ATOM 103 N PRO A 9 -3.107 -10.608 3.708 1.00 0.00 N ATOM 104 CA PRO A 9 -1.649 -10.601 3.583 1.00 0.00 C ATOM 105 C PRO A 9 -1.127 -11.800 2.797 1.00 0.00 C ATOM 106 O PRO A 9 -1.714 -12.884 2.829 1.00 0.00 O ATOM 107 CB PRO A 9 -1.152 -10.652 5.038 1.00 0.00 C ATOM 108 CG PRO A 9 -2.339 -10.310 5.874 1.00 0.00 C ATOM 109 CD PRO A 9 -3.529 -10.796 5.102 1.00 0.00 C ATOM 0 HA PRO A 9 -1.298 -9.727 3.035 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.768 -11.641 5.287 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.340 -9.944 5.201 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.282 -10.791 6.851 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.398 -9.236 6.050 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.754 -11.840 5.320 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.425 -10.221 5.335 1.00 0.00 H new ATOM 117 N SER A 10 -0.025 -11.600 2.093 1.00 0.00 N ATOM 118 CA SER A 10 0.584 -12.653 1.294 1.00 0.00 C ATOM 119 C SER A 10 1.833 -13.212 1.974 1.00 0.00 C ATOM 120 O SER A 10 2.798 -13.594 1.311 1.00 0.00 O ATOM 121 CB SER A 10 0.933 -12.099 -0.087 1.00 0.00 C ATOM 122 OG SER A 10 0.992 -10.682 -0.061 1.00 0.00 O ATOM 0 H SER A 10 0.471 -10.709 2.058 1.00 0.00 H new ATOM 0 HA SER A 10 -0.129 -13.471 1.191 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.892 -12.501 -0.414 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.187 -12.423 -0.813 1.00 0.00 H new ATOM 0 HG SER A 10 1.444 -10.359 -0.868 1.00 0.00 H new ATOM 128 N SER A 11 1.806 -13.261 3.298 1.00 0.00 N ATOM 129 CA SER A 11 2.930 -13.771 4.073 1.00 0.00 C ATOM 130 C SER A 11 3.195 -15.243 3.753 1.00 0.00 C ATOM 131 O SER A 11 2.349 -16.104 3.998 1.00 0.00 O ATOM 132 CB SER A 11 2.639 -13.597 5.560 1.00 0.00 C ATOM 133 OG SER A 11 1.962 -12.373 5.797 1.00 0.00 O ATOM 0 H SER A 11 1.014 -12.952 3.861 1.00 0.00 H new ATOM 0 HA SER A 11 3.824 -13.206 3.808 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.032 -14.429 5.917 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.572 -13.618 6.123 1.00 0.00 H new ATOM 0 HG SER A 11 1.782 -12.279 6.756 1.00 0.00 H new ATOM 139 N GLY A 12 4.365 -15.519 3.192 1.00 0.00 N ATOM 140 CA GLY A 12 4.720 -16.880 2.839 1.00 0.00 C ATOM 141 C GLY A 12 4.604 -17.132 1.350 1.00 0.00 C ATOM 142 O GLY A 12 4.965 -18.202 0.857 1.00 0.00 O ATOM 0 H GLY A 12 5.077 -14.822 2.974 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.741 -17.083 3.162 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.072 -17.574 3.375 1.00 0.00 H new ATOM 146 N LEU A 13 4.106 -16.142 0.625 1.00 0.00 N ATOM 147 CA LEU A 13 3.941 -16.265 -0.815 1.00 0.00 C ATOM 148 C LEU A 13 5.071 -15.549 -1.542 1.00 0.00 C ATOM 149 O LEU A 13 5.720 -14.671 -0.979 1.00 0.00 O ATOM 150 CB LEU A 13 2.576 -15.721 -1.241 1.00 0.00 C ATOM 151 CG LEU A 13 1.382 -16.454 -0.620 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.077 -15.740 -0.931 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.327 -17.894 -1.104 1.00 0.00 C ATOM 0 H LEU A 13 3.809 -15.245 1.010 1.00 0.00 H new ATOM 0 HA LEU A 13 3.983 -17.320 -1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.519 -14.666 -0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.498 -15.779 -2.327 1.00 0.00 H new ATOM 0 HG LEU A 13 1.517 -16.455 0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.752 -16.283 -0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.111 -14.728 -0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.065 -15.696 -2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.472 -18.397 -0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.225 -17.909 -2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.244 -18.409 -0.819 1.00 0.00 H new ATOM 165 N SER A 14 5.316 -15.943 -2.781 1.00 0.00 N ATOM 166 CA SER A 14 6.380 -15.354 -3.583 1.00 0.00 C ATOM 167 C SER A 14 5.964 -14.001 -4.152 1.00 0.00 C ATOM 168 O SER A 14 4.934 -13.443 -3.766 1.00 0.00 O ATOM 169 CB SER A 14 6.744 -16.307 -4.722 1.00 0.00 C ATOM 170 OG SER A 14 6.746 -17.655 -4.278 1.00 0.00 O ATOM 0 H SER A 14 4.788 -16.674 -3.258 1.00 0.00 H new ATOM 0 HA SER A 14 7.246 -15.195 -2.941 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.032 -16.191 -5.539 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.727 -16.049 -5.116 1.00 0.00 H new ATOM 0 HG SER A 14 6.980 -18.245 -5.025 1.00 0.00 H new ATOM 176 N ASP A 15 6.767 -13.473 -5.067 1.00 0.00 N ATOM 177 CA ASP A 15 6.465 -12.198 -5.696 1.00 0.00 C ATOM 178 C ASP A 15 5.422 -12.407 -6.782 1.00 0.00 C ATOM 179 O ASP A 15 5.201 -13.532 -7.234 1.00 0.00 O ATOM 180 CB ASP A 15 7.724 -11.559 -6.295 1.00 0.00 C ATOM 181 CG ASP A 15 8.141 -12.198 -7.605 1.00 0.00 C ATOM 182 OD1 ASP A 15 8.876 -13.204 -7.569 1.00 0.00 O ATOM 183 OD2 ASP A 15 7.748 -11.685 -8.675 1.00 0.00 O ATOM 0 H ASP A 15 7.631 -13.909 -5.388 1.00 0.00 H new ATOM 0 HA ASP A 15 6.077 -11.521 -4.935 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.545 -10.496 -6.455 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.542 -11.640 -5.580 1.00 0.00 H new ATOM 188 N GLY A 16 4.774 -11.328 -7.188 1.00 0.00 N ATOM 189 CA GLY A 16 3.755 -11.427 -8.208 1.00 0.00 C ATOM 190 C GLY A 16 2.445 -11.923 -7.641 1.00 0.00 C ATOM 191 O GLY A 16 1.539 -12.305 -8.380 1.00 0.00 O ATOM 0 H GLY A 16 4.935 -10.387 -6.830 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.606 -10.451 -8.670 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.091 -12.103 -8.994 1.00 0.00 H new ATOM 195 N THR A 17 2.354 -11.915 -6.322 1.00 0.00 N ATOM 196 CA THR A 17 1.159 -12.356 -5.632 1.00 0.00 C ATOM 197 C THR A 17 0.193 -11.188 -5.446 1.00 0.00 C ATOM 198 O THR A 17 0.617 -10.046 -5.232 1.00 0.00 O ATOM 199 CB THR A 17 1.506 -12.968 -4.260 1.00 0.00 C ATOM 200 OG1 THR A 17 2.483 -14.004 -4.425 1.00 0.00 O ATOM 201 CG2 THR A 17 0.273 -13.549 -3.587 1.00 0.00 C ATOM 0 H THR A 17 3.104 -11.604 -5.704 1.00 0.00 H new ATOM 0 HA THR A 17 0.683 -13.123 -6.243 1.00 0.00 H new ATOM 0 HB THR A 17 1.904 -12.173 -3.629 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.382 -13.624 -4.332 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.551 -13.973 -2.622 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.466 -12.761 -3.438 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.152 -14.330 -4.218 1.00 0.00 H new ATOM 209 N VAL A 18 -1.097 -11.480 -5.536 1.00 0.00 N ATOM 210 CA VAL A 18 -2.126 -10.465 -5.388 1.00 0.00 C ATOM 211 C VAL A 18 -2.521 -10.288 -3.923 1.00 0.00 C ATOM 212 O VAL A 18 -2.822 -11.255 -3.224 1.00 0.00 O ATOM 213 CB VAL A 18 -3.378 -10.822 -6.216 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.437 -9.741 -6.087 1.00 0.00 C ATOM 215 CG2 VAL A 18 -3.010 -11.040 -7.677 1.00 0.00 C ATOM 0 H VAL A 18 -1.456 -12.419 -5.712 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.709 -9.528 -5.757 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.791 -11.751 -5.823 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.310 -10.015 -6.679 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.726 -9.638 -5.041 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.036 -8.794 -6.448 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.906 -11.291 -8.244 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.568 -10.129 -8.081 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.292 -11.856 -7.753 1.00 0.00 H new ATOM 225 N VAL A 19 -2.492 -9.048 -3.468 1.00 0.00 N ATOM 226 CA VAL A 19 -2.861 -8.710 -2.103 1.00 0.00 C ATOM 227 C VAL A 19 -4.218 -8.017 -2.101 1.00 0.00 C ATOM 228 O VAL A 19 -4.363 -6.931 -2.663 1.00 0.00 O ATOM 229 CB VAL A 19 -1.818 -7.776 -1.444 1.00 0.00 C ATOM 230 CG1 VAL A 19 -1.984 -7.761 0.069 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.402 -8.184 -1.828 1.00 0.00 C ATOM 0 H VAL A 19 -2.212 -8.246 -4.033 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.903 -9.636 -1.529 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.990 -6.765 -1.815 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.240 -7.098 0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.983 -7.405 0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.848 -8.769 0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.312 -7.512 -1.352 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.215 -9.206 -1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.288 -8.127 -2.911 1.00 0.00 H new ATOM 241 N LYS A 20 -5.208 -8.650 -1.489 1.00 0.00 N ATOM 242 CA LYS A 20 -6.550 -8.089 -1.442 1.00 0.00 C ATOM 243 C LYS A 20 -6.706 -7.118 -0.276 1.00 0.00 C ATOM 244 O LYS A 20 -6.321 -7.420 0.857 1.00 0.00 O ATOM 245 CB LYS A 20 -7.597 -9.199 -1.336 1.00 0.00 C ATOM 246 CG LYS A 20 -9.019 -8.674 -1.175 1.00 0.00 C ATOM 247 CD LYS A 20 -10.026 -9.793 -0.979 1.00 0.00 C ATOM 248 CE LYS A 20 -10.369 -10.467 -2.294 1.00 0.00 C ATOM 249 NZ LYS A 20 -11.477 -11.441 -2.141 1.00 0.00 N ATOM 0 H LYS A 20 -5.108 -9.550 -1.019 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.707 -7.539 -2.370 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.546 -9.823 -2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.355 -9.838 -0.487 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.060 -7.997 -0.321 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.292 -8.093 -2.056 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.622 -10.530 -0.285 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.933 -9.393 -0.526 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.648 -9.711 -3.028 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.487 -10.977 -2.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.682 -11.881 -3.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.201 -12.177 -1.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.326 -10.950 -1.795 1.00 0.00 H new ATOM 263 N VAL A 21 -7.273 -5.957 -0.568 1.00 0.00 N ATOM 264 CA VAL A 21 -7.517 -4.930 0.430 1.00 0.00 C ATOM 265 C VAL A 21 -8.980 -4.498 0.374 1.00 0.00 C ATOM 266 O VAL A 21 -9.403 -3.856 -0.586 1.00 0.00 O ATOM 267 CB VAL A 21 -6.608 -3.698 0.206 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.973 -2.566 1.160 1.00 0.00 C ATOM 269 CG2 VAL A 21 -5.143 -4.074 0.366 1.00 0.00 C ATOM 0 H VAL A 21 -7.577 -5.701 -1.507 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.288 -5.350 1.410 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.767 -3.347 -0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.318 -1.713 0.980 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.009 -2.270 0.994 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.853 -2.905 2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.522 -3.193 0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.974 -4.458 1.372 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.882 -4.841 -0.364 1.00 0.00 H new ATOM 279 N ALA A 22 -9.753 -4.876 1.383 1.00 0.00 N ATOM 280 CA ALA A 22 -11.161 -4.515 1.439 1.00 0.00 C ATOM 281 C ALA A 22 -11.452 -3.724 2.705 1.00 0.00 C ATOM 282 O ALA A 22 -11.624 -4.294 3.785 1.00 0.00 O ATOM 283 CB ALA A 22 -12.037 -5.759 1.369 1.00 0.00 C ATOM 0 H ALA A 22 -9.428 -5.433 2.173 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.393 -3.888 0.578 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.087 -5.468 1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.845 -6.287 0.435 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.807 -6.414 2.210 1.00 0.00 H new ATOM 289 N GLY A 23 -11.488 -2.409 2.574 1.00 0.00 N ATOM 290 CA GLY A 23 -11.750 -1.561 3.716 1.00 0.00 C ATOM 291 C GLY A 23 -13.198 -1.130 3.786 1.00 0.00 C ATOM 292 O GLY A 23 -13.675 -0.395 2.922 1.00 0.00 O ATOM 0 H GLY A 23 -11.340 -1.912 1.695 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.486 -2.093 4.630 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.112 -0.679 3.666 1.00 0.00 H new ATOM 296 N ALA A 24 -13.901 -1.603 4.802 1.00 0.00 N ATOM 297 CA ALA A 24 -15.298 -1.257 4.992 1.00 0.00 C ATOM 298 C ALA A 24 -15.455 -0.381 6.228 1.00 0.00 C ATOM 299 O ALA A 24 -14.643 -0.451 7.155 1.00 0.00 O ATOM 300 CB ALA A 24 -16.146 -2.513 5.109 1.00 0.00 C ATOM 0 H ALA A 24 -13.523 -2.231 5.511 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.643 -0.696 4.124 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.190 -2.235 5.251 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -16.048 -3.104 4.198 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.808 -3.102 5.962 1.00 0.00 H new ATOM 306 N GLY A 25 -16.486 0.444 6.236 1.00 0.00 N ATOM 307 CA GLY A 25 -16.714 1.323 7.363 1.00 0.00 C ATOM 308 C GLY A 25 -15.889 2.585 7.264 1.00 0.00 C ATOM 309 O GLY A 25 -15.450 3.138 8.273 1.00 0.00 O ATOM 0 H GLY A 25 -17.170 0.522 5.484 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.771 1.583 7.414 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.469 0.800 8.288 1.00 0.00 H new ATOM 313 N LEU A 26 -15.669 3.032 6.038 1.00 0.00 N ATOM 314 CA LEU A 26 -14.893 4.230 5.789 1.00 0.00 C ATOM 315 C LEU A 26 -15.798 5.352 5.299 1.00 0.00 C ATOM 316 O LEU A 26 -17.022 5.206 5.266 1.00 0.00 O ATOM 317 CB LEU A 26 -13.791 3.952 4.761 1.00 0.00 C ATOM 318 CG LEU A 26 -12.769 2.888 5.173 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.817 2.587 4.029 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.993 3.335 6.405 1.00 0.00 C ATOM 0 H LEU A 26 -16.021 2.577 5.196 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.425 4.539 6.724 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.258 3.642 3.826 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.261 4.883 4.559 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.311 1.975 5.420 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.099 1.829 4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.382 2.219 3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.285 3.496 3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.273 2.565 6.681 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.466 4.263 6.186 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.685 3.497 7.232 1.00 0.00 H new ATOM 332 N GLN A 27 -15.197 6.466 4.921 1.00 0.00 N ATOM 333 CA GLN A 27 -15.947 7.610 4.433 1.00 0.00 C ATOM 334 C GLN A 27 -16.259 7.439 2.952 1.00 0.00 C ATOM 335 O GLN A 27 -15.354 7.272 2.131 1.00 0.00 O ATOM 336 CB GLN A 27 -15.151 8.894 4.670 1.00 0.00 C ATOM 337 CG GLN A 27 -15.984 10.159 4.544 1.00 0.00 C ATOM 338 CD GLN A 27 -17.061 10.249 5.604 1.00 0.00 C ATOM 339 OE1 GLN A 27 -16.899 9.752 6.721 1.00 0.00 O ATOM 340 NE2 GLN A 27 -18.164 10.891 5.266 1.00 0.00 N ATOM 0 H GLN A 27 -14.187 6.603 4.943 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.889 7.678 4.978 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.708 8.858 5.665 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.328 8.938 3.956 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -15.332 11.029 4.618 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.446 10.190 3.557 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -18.257 11.287 4.331 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -18.923 10.991 5.940 1.00 0.00 H new ATOM 349 N ALA A 28 -17.540 7.471 2.615 1.00 0.00 N ATOM 350 CA ALA A 28 -17.972 7.316 1.234 1.00 0.00 C ATOM 351 C ALA A 28 -17.473 8.474 0.376 1.00 0.00 C ATOM 352 O ALA A 28 -17.516 9.632 0.795 1.00 0.00 O ATOM 353 CB ALA A 28 -19.489 7.212 1.159 1.00 0.00 C ATOM 0 H ALA A 28 -18.301 7.603 3.282 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.541 6.394 0.844 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.795 7.097 0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.823 6.348 1.734 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.937 8.117 1.570 1.00 0.00 H new ATOM 359 N GLY A 29 -16.982 8.152 -0.816 1.00 0.00 N ATOM 360 CA GLY A 29 -16.480 9.174 -1.713 1.00 0.00 C ATOM 361 C GLY A 29 -15.065 9.605 -1.379 1.00 0.00 C ATOM 362 O GLY A 29 -14.682 10.747 -1.630 1.00 0.00 O ATOM 0 H GLY A 29 -16.923 7.200 -1.177 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.509 8.799 -2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.138 10.042 -1.673 1.00 0.00 H new ATOM 366 N THR A 30 -14.284 8.692 -0.820 1.00 0.00 N ATOM 367 CA THR A 30 -12.908 8.994 -0.453 1.00 0.00 C ATOM 368 C THR A 30 -11.932 8.053 -1.153 1.00 0.00 C ATOM 369 O THR A 30 -12.124 6.836 -1.155 1.00 0.00 O ATOM 370 CB THR A 30 -12.713 8.888 1.071 1.00 0.00 C ATOM 371 OG1 THR A 30 -13.834 9.472 1.744 1.00 0.00 O ATOM 372 CG2 THR A 30 -11.438 9.587 1.511 1.00 0.00 C ATOM 0 H THR A 30 -14.579 7.738 -0.611 1.00 0.00 H new ATOM 0 HA THR A 30 -12.703 10.016 -0.772 1.00 0.00 H new ATOM 0 HB THR A 30 -12.634 7.832 1.330 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.537 8.798 1.854 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.327 9.495 2.591 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.582 9.126 1.018 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.489 10.641 1.240 1.00 0.00 H new ATOM 380 N ALA A 31 -10.901 8.622 -1.761 1.00 0.00 N ATOM 381 CA ALA A 31 -9.895 7.834 -2.454 1.00 0.00 C ATOM 382 C ALA A 31 -8.780 7.432 -1.495 1.00 0.00 C ATOM 383 O ALA A 31 -8.388 8.212 -0.623 1.00 0.00 O ATOM 384 CB ALA A 31 -9.328 8.612 -3.630 1.00 0.00 C ATOM 0 H ALA A 31 -10.740 9.629 -1.788 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.368 6.928 -2.834 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.576 8.008 -4.138 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.130 8.854 -4.327 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.870 9.533 -3.270 1.00 0.00 H new ATOM 390 N TYR A 32 -8.274 6.221 -1.656 1.00 0.00 N ATOM 391 CA TYR A 32 -7.204 5.717 -0.805 1.00 0.00 C ATOM 392 C TYR A 32 -5.994 5.324 -1.642 1.00 0.00 C ATOM 393 O TYR A 32 -6.134 4.845 -2.771 1.00 0.00 O ATOM 394 CB TYR A 32 -7.690 4.519 0.017 1.00 0.00 C ATOM 395 CG TYR A 32 -8.280 4.906 1.356 1.00 0.00 C ATOM 396 CD1 TYR A 32 -9.610 5.293 1.471 1.00 0.00 C ATOM 397 CD2 TYR A 32 -7.502 4.883 2.504 1.00 0.00 C ATOM 398 CE1 TYR A 32 -10.144 5.647 2.695 1.00 0.00 C ATOM 399 CE2 TYR A 32 -8.027 5.234 3.732 1.00 0.00 C ATOM 400 CZ TYR A 32 -9.349 5.615 3.823 1.00 0.00 C ATOM 401 OH TYR A 32 -9.877 5.965 5.047 1.00 0.00 O ATOM 0 H TYR A 32 -8.587 5.564 -2.371 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.909 6.513 -0.121 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.439 3.974 -0.557 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.855 3.837 0.180 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.235 5.317 0.591 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.466 4.585 2.436 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.179 5.947 2.769 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.406 5.210 4.615 1.00 0.00 H new ATOM 0 HH TYR A 32 -9.185 5.887 5.736 1.00 0.00 H new ATOM 411 N ASP A 33 -4.812 5.550 -1.092 1.00 0.00 N ATOM 412 CA ASP A 33 -3.571 5.216 -1.767 1.00 0.00 C ATOM 413 C ASP A 33 -3.006 3.943 -1.164 1.00 0.00 C ATOM 414 O ASP A 33 -2.488 3.954 -0.046 1.00 0.00 O ATOM 415 CB ASP A 33 -2.562 6.362 -1.630 1.00 0.00 C ATOM 416 CG ASP A 33 -2.037 6.847 -2.969 1.00 0.00 C ATOM 417 OD1 ASP A 33 -2.805 7.502 -3.709 1.00 0.00 O ATOM 418 OD2 ASP A 33 -0.853 6.597 -3.281 1.00 0.00 O ATOM 0 H ASP A 33 -4.687 5.968 -0.170 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.767 5.061 -2.828 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.033 7.194 -1.107 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.725 6.031 -1.015 1.00 0.00 H new ATOM 423 N VAL A 34 -3.148 2.838 -1.880 1.00 0.00 N ATOM 424 CA VAL A 34 -2.658 1.555 -1.395 1.00 0.00 C ATOM 425 C VAL A 34 -1.694 0.919 -2.389 1.00 0.00 C ATOM 426 O VAL A 34 -2.022 0.738 -3.566 1.00 0.00 O ATOM 427 CB VAL A 34 -3.814 0.564 -1.104 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.311 -0.619 -0.291 1.00 0.00 C ATOM 429 CG2 VAL A 34 -4.960 1.257 -0.386 1.00 0.00 C ATOM 0 H VAL A 34 -3.597 2.803 -2.795 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.132 1.761 -0.462 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.189 0.194 -2.058 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.136 -1.304 -0.096 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.532 -1.139 -0.849 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.904 -0.263 0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.757 0.538 -0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.603 1.664 0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.343 2.066 -1.008 1.00 0.00 H new ATOM 439 N GLY A 35 -0.500 0.595 -1.914 1.00 0.00 N ATOM 440 CA GLY A 35 0.497 -0.030 -2.755 1.00 0.00 C ATOM 441 C GLY A 35 1.511 -0.795 -1.936 1.00 0.00 C ATOM 442 O GLY A 35 1.424 -0.822 -0.707 1.00 0.00 O ATOM 0 H GLY A 35 -0.203 0.756 -0.952 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.010 -0.706 -3.457 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.005 0.732 -3.346 1.00 0.00 H new ATOM 446 N GLN A 36 2.464 -1.433 -2.599 1.00 0.00 N ATOM 447 CA GLN A 36 3.493 -2.175 -1.886 1.00 0.00 C ATOM 448 C GLN A 36 4.604 -1.220 -1.473 1.00 0.00 C ATOM 449 O GLN A 36 5.235 -0.584 -2.314 1.00 0.00 O ATOM 450 CB GLN A 36 4.051 -3.320 -2.739 1.00 0.00 C ATOM 451 CG GLN A 36 4.443 -2.907 -4.151 1.00 0.00 C ATOM 452 CD GLN A 36 5.565 -3.757 -4.724 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.587 -4.061 -5.914 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.512 -4.136 -3.882 1.00 0.00 N ATOM 0 H GLN A 36 2.547 -1.453 -3.615 1.00 0.00 H new ATOM 0 HA GLN A 36 3.049 -2.623 -0.997 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.924 -3.740 -2.239 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.305 -4.113 -2.797 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.571 -2.979 -4.801 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.752 -1.862 -4.146 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.460 -3.864 -2.900 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.294 -4.700 -4.214 1.00 0.00 H new ATOM 463 N CYS A 37 4.821 -1.096 -0.177 1.00 0.00 N ATOM 464 CA CYS A 37 5.840 -0.201 0.336 1.00 0.00 C ATOM 465 C CYS A 37 6.829 -0.954 1.214 1.00 0.00 C ATOM 466 O CYS A 37 6.638 -2.136 1.503 1.00 0.00 O ATOM 467 CB CYS A 37 5.187 0.916 1.147 1.00 0.00 C ATOM 468 SG CYS A 37 3.529 1.391 0.560 1.00 0.00 S ATOM 0 H CYS A 37 4.304 -1.605 0.540 1.00 0.00 H new ATOM 0 HA CYS A 37 6.379 0.226 -0.510 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.115 0.600 2.188 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.834 1.793 1.124 1.00 0.00 H new ATOM 473 N ALA A 38 7.887 -0.269 1.619 1.00 0.00 N ATOM 474 CA ALA A 38 8.904 -0.851 2.478 1.00 0.00 C ATOM 475 C ALA A 38 9.737 0.258 3.097 1.00 0.00 C ATOM 476 O ALA A 38 9.557 1.434 2.764 1.00 0.00 O ATOM 477 CB ALA A 38 9.792 -1.814 1.700 1.00 0.00 C ATOM 0 H ALA A 38 8.064 0.702 1.362 1.00 0.00 H new ATOM 0 HA ALA A 38 8.413 -1.419 3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.544 -2.235 2.367 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.183 -2.618 1.287 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.285 -1.279 0.888 1.00 0.00 H new ATOM 483 N TRP A 39 10.629 -0.108 4.002 1.00 0.00 N ATOM 484 CA TRP A 39 11.490 0.862 4.657 1.00 0.00 C ATOM 485 C TRP A 39 12.619 1.278 3.724 1.00 0.00 C ATOM 486 O TRP A 39 13.663 0.627 3.662 1.00 0.00 O ATOM 487 CB TRP A 39 12.065 0.286 5.953 1.00 0.00 C ATOM 488 CG TRP A 39 11.064 0.194 7.063 1.00 0.00 C ATOM 489 CD1 TRP A 39 10.141 -0.791 7.255 1.00 0.00 C ATOM 490 CD2 TRP A 39 10.887 1.121 8.139 1.00 0.00 C ATOM 491 NE1 TRP A 39 9.392 -0.529 8.375 1.00 0.00 N ATOM 492 CE2 TRP A 39 9.833 0.638 8.938 1.00 0.00 C ATOM 493 CE3 TRP A 39 11.513 2.317 8.504 1.00 0.00 C ATOM 494 CZ2 TRP A 39 9.392 1.306 10.076 1.00 0.00 C ATOM 495 CZ3 TRP A 39 11.079 2.975 9.637 1.00 0.00 C ATOM 496 CH2 TRP A 39 10.028 2.471 10.411 1.00 0.00 C ATOM 0 H TRP A 39 10.776 -1.072 4.300 1.00 0.00 H new ATOM 0 HA TRP A 39 10.893 1.740 4.904 1.00 0.00 H new ATOM 0 HB2 TRP A 39 12.466 -0.708 5.753 1.00 0.00 H new ATOM 0 HB3 TRP A 39 12.900 0.907 6.278 1.00 0.00 H new ATOM 0 HD1 TRP A 39 10.017 -1.654 6.617 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.631 -1.109 8.730 1.00 0.00 H new ATOM 0 HE3 TRP A 39 12.321 2.718 7.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 8.579 0.920 10.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 11.560 3.896 9.932 1.00 0.00 H new ATOM 0 HH2 TRP A 39 9.712 3.012 11.291 1.00 0.00 H new ATOM 507 N VAL A 40 12.399 2.359 2.986 1.00 0.00 N ATOM 508 CA VAL A 40 13.397 2.860 2.051 1.00 0.00 C ATOM 509 C VAL A 40 14.476 3.654 2.791 1.00 0.00 C ATOM 510 O VAL A 40 15.597 3.810 2.305 1.00 0.00 O ATOM 511 CB VAL A 40 12.743 3.728 0.944 1.00 0.00 C ATOM 512 CG1 VAL A 40 12.168 5.020 1.511 1.00 0.00 C ATOM 513 CG2 VAL A 40 13.739 4.020 -0.175 1.00 0.00 C ATOM 0 H VAL A 40 11.538 2.905 3.017 1.00 0.00 H new ATOM 0 HA VAL A 40 13.866 2.002 1.570 1.00 0.00 H new ATOM 0 HB VAL A 40 11.914 3.157 0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.718 5.602 0.707 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.409 4.784 2.256 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.965 5.600 1.976 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.258 4.630 -0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.596 4.557 0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 40 14.075 3.082 -0.617 1.00 0.00 H new ATOM 523 N ASP A 41 14.132 4.134 3.978 1.00 0.00 N ATOM 524 CA ASP A 41 15.060 4.894 4.797 1.00 0.00 C ATOM 525 C ASP A 41 14.693 4.756 6.265 1.00 0.00 C ATOM 526 O ASP A 41 13.711 4.096 6.604 1.00 0.00 O ATOM 527 CB ASP A 41 15.049 6.368 4.394 1.00 0.00 C ATOM 528 CG ASP A 41 16.429 6.985 4.441 1.00 0.00 C ATOM 529 OD1 ASP A 41 17.031 7.025 5.537 1.00 0.00 O ATOM 530 OD2 ASP A 41 16.921 7.427 3.382 1.00 0.00 O ATOM 0 H ASP A 41 13.210 4.008 4.396 1.00 0.00 H new ATOM 0 HA ASP A 41 16.063 4.498 4.640 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.644 6.464 3.386 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.384 6.919 5.059 1.00 0.00 H new ATOM 535 N THR A 42 15.467 5.394 7.126 1.00 0.00 N ATOM 536 CA THR A 42 15.231 5.332 8.559 1.00 0.00 C ATOM 537 C THR A 42 14.071 6.242 8.959 1.00 0.00 C ATOM 538 O THR A 42 14.261 7.423 9.243 1.00 0.00 O ATOM 539 CB THR A 42 16.503 5.732 9.330 1.00 0.00 C ATOM 540 OG1 THR A 42 17.653 5.140 8.702 1.00 0.00 O ATOM 541 CG2 THR A 42 16.427 5.287 10.784 1.00 0.00 C ATOM 0 H THR A 42 16.269 5.964 6.856 1.00 0.00 H new ATOM 0 HA THR A 42 14.969 4.305 8.814 1.00 0.00 H new ATOM 0 HB THR A 42 16.589 6.818 9.310 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.462 5.397 9.192 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.339 5.583 11.303 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.568 5.756 11.264 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.320 4.203 10.828 1.00 0.00 H new ATOM 549 N GLY A 43 12.866 5.686 8.949 1.00 0.00 N ATOM 550 CA GLY A 43 11.684 6.450 9.305 1.00 0.00 C ATOM 551 C GLY A 43 10.881 6.846 8.083 1.00 0.00 C ATOM 552 O GLY A 43 9.721 7.247 8.187 1.00 0.00 O ATOM 0 H GLY A 43 12.685 4.714 8.699 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.059 5.861 9.976 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.981 7.346 9.851 1.00 0.00 H new ATOM 556 N VAL A 44 11.497 6.719 6.917 1.00 0.00 N ATOM 557 CA VAL A 44 10.845 7.071 5.667 1.00 0.00 C ATOM 558 C VAL A 44 10.444 5.819 4.899 1.00 0.00 C ATOM 559 O VAL A 44 11.273 4.949 4.625 1.00 0.00 O ATOM 560 CB VAL A 44 11.756 7.938 4.771 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.961 8.540 3.622 1.00 0.00 C ATOM 562 CG2 VAL A 44 12.439 9.032 5.584 1.00 0.00 C ATOM 0 H VAL A 44 12.451 6.373 6.812 1.00 0.00 H new ATOM 0 HA VAL A 44 9.956 7.648 5.924 1.00 0.00 H new ATOM 0 HB VAL A 44 12.531 7.295 4.353 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.621 9.147 3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.531 7.740 3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.161 9.164 4.021 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.075 9.628 4.930 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.684 9.673 6.039 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.048 8.578 6.366 1.00 0.00 H new ATOM 572 N LEU A 45 9.170 5.727 4.573 1.00 0.00 N ATOM 573 CA LEU A 45 8.648 4.599 3.828 1.00 0.00 C ATOM 574 C LEU A 45 8.262 5.062 2.432 1.00 0.00 C ATOM 575 O LEU A 45 8.024 6.250 2.222 1.00 0.00 O ATOM 576 CB LEU A 45 7.434 4.017 4.544 1.00 0.00 C ATOM 577 CG LEU A 45 7.674 3.597 5.996 1.00 0.00 C ATOM 578 CD1 LEU A 45 6.512 4.031 6.875 1.00 0.00 C ATOM 579 CD2 LEU A 45 7.874 2.094 6.089 1.00 0.00 C ATOM 0 H LEU A 45 8.470 6.429 4.816 1.00 0.00 H new ATOM 0 HA LEU A 45 9.411 3.824 3.755 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.632 4.755 4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.083 3.150 3.985 1.00 0.00 H new ATOM 0 HG LEU A 45 8.579 4.090 6.351 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.700 3.724 7.904 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.409 5.115 6.833 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.593 3.565 6.519 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.043 1.813 7.128 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.985 1.585 5.716 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.737 1.804 5.490 1.00 0.00 H new ATOM 591 N ALA A 46 8.202 4.142 1.480 1.00 0.00 N ATOM 592 CA ALA A 46 7.855 4.512 0.115 1.00 0.00 C ATOM 593 C ALA A 46 7.314 3.330 -0.674 1.00 0.00 C ATOM 594 O ALA A 46 7.667 2.178 -0.409 1.00 0.00 O ATOM 595 CB ALA A 46 9.075 5.099 -0.576 1.00 0.00 C ATOM 0 H ALA A 46 8.386 3.149 1.623 1.00 0.00 H new ATOM 0 HA ALA A 46 7.062 5.259 0.157 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.816 5.376 -1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.410 5.983 -0.034 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.875 4.359 -0.592 1.00 0.00 H new ATOM 601 N CYS A 47 6.446 3.630 -1.634 1.00 0.00 N ATOM 602 CA CYS A 47 5.840 2.615 -2.491 1.00 0.00 C ATOM 603 C CYS A 47 5.986 3.025 -3.949 1.00 0.00 C ATOM 604 O CYS A 47 6.408 4.144 -4.240 1.00 0.00 O ATOM 605 CB CYS A 47 4.355 2.438 -2.164 1.00 0.00 C ATOM 606 SG CYS A 47 3.862 3.066 -0.531 1.00 0.00 S ATOM 0 H CYS A 47 6.142 4.582 -1.841 1.00 0.00 H new ATOM 0 HA CYS A 47 6.352 1.669 -2.315 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.765 2.945 -2.927 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.107 1.378 -2.221 1.00 0.00 H new ATOM 611 N ASN A 48 5.635 2.134 -4.863 1.00 0.00 N ATOM 612 CA ASN A 48 5.735 2.443 -6.280 1.00 0.00 C ATOM 613 C ASN A 48 4.351 2.606 -6.909 1.00 0.00 C ATOM 614 O ASN A 48 3.522 1.697 -6.882 1.00 0.00 O ATOM 615 CB ASN A 48 6.554 1.375 -7.024 1.00 0.00 C ATOM 616 CG ASN A 48 5.919 -0.008 -7.021 1.00 0.00 C ATOM 617 OD1 ASN A 48 5.218 -0.389 -6.086 1.00 0.00 O ATOM 618 ND2 ASN A 48 6.179 -0.774 -8.070 1.00 0.00 N ATOM 0 H ASN A 48 5.282 1.201 -4.652 1.00 0.00 H new ATOM 0 HA ASN A 48 6.259 3.394 -6.374 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.697 1.695 -8.056 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.543 1.310 -6.571 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.793 -1.717 -8.122 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.766 -0.421 -8.826 1.00 0.00 H new ATOM 625 N PRO A 49 4.080 3.786 -7.488 1.00 0.00 N ATOM 626 CA PRO A 49 2.795 4.080 -8.129 1.00 0.00 C ATOM 627 C PRO A 49 2.598 3.307 -9.432 1.00 0.00 C ATOM 628 O PRO A 49 1.505 3.297 -10.000 1.00 0.00 O ATOM 629 CB PRO A 49 2.866 5.580 -8.404 1.00 0.00 C ATOM 630 CG PRO A 49 4.322 5.885 -8.489 1.00 0.00 C ATOM 631 CD PRO A 49 5.003 4.934 -7.546 1.00 0.00 C ATOM 0 HA PRO A 49 1.955 3.788 -7.499 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.354 5.836 -9.331 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.388 6.151 -7.608 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.689 5.754 -9.507 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.520 6.920 -8.210 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.986 4.640 -7.913 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.150 5.381 -6.563 1.00 0.00 H new ATOM 639 N ALA A 50 3.659 2.652 -9.890 1.00 0.00 N ATOM 640 CA ALA A 50 3.612 1.878 -11.126 1.00 0.00 C ATOM 641 C ALA A 50 2.769 0.612 -10.962 1.00 0.00 C ATOM 642 O ALA A 50 2.175 0.122 -11.926 1.00 0.00 O ATOM 643 CB ALA A 50 5.023 1.527 -11.573 1.00 0.00 C ATOM 0 H ALA A 50 4.565 2.641 -9.422 1.00 0.00 H new ATOM 0 HA ALA A 50 3.138 2.491 -11.893 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.979 0.949 -12.496 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.589 2.443 -11.745 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.514 0.937 -10.799 1.00 0.00 H new ATOM 649 N ASP A 51 2.712 0.090 -9.743 1.00 0.00 N ATOM 650 CA ASP A 51 1.933 -1.117 -9.467 1.00 0.00 C ATOM 651 C ASP A 51 0.911 -0.859 -8.372 1.00 0.00 C ATOM 652 O ASP A 51 0.458 -1.779 -7.691 1.00 0.00 O ATOM 653 CB ASP A 51 2.849 -2.273 -9.065 1.00 0.00 C ATOM 654 CG ASP A 51 2.762 -3.439 -10.030 1.00 0.00 C ATOM 655 OD1 ASP A 51 1.657 -3.994 -10.217 1.00 0.00 O ATOM 656 OD2 ASP A 51 3.804 -3.809 -10.608 1.00 0.00 O ATOM 0 H ASP A 51 3.192 0.479 -8.932 1.00 0.00 H new ATOM 0 HA ASP A 51 1.405 -1.391 -10.380 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.879 -1.918 -9.019 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.584 -2.612 -8.064 1.00 0.00 H new ATOM 661 N PHE A 52 0.545 0.401 -8.211 1.00 0.00 N ATOM 662 CA PHE A 52 -0.430 0.786 -7.207 1.00 0.00 C ATOM 663 C PHE A 52 -1.792 0.981 -7.868 1.00 0.00 C ATOM 664 O PHE A 52 -1.875 1.197 -9.077 1.00 0.00 O ATOM 665 CB PHE A 52 0.043 2.054 -6.472 1.00 0.00 C ATOM 666 CG PHE A 52 -0.886 3.237 -6.562 1.00 0.00 C ATOM 667 CD1 PHE A 52 -0.891 4.057 -7.684 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.759 3.528 -5.522 1.00 0.00 C ATOM 669 CE1 PHE A 52 -1.744 5.136 -7.765 1.00 0.00 C ATOM 670 CE2 PHE A 52 -2.615 4.609 -5.601 1.00 0.00 C ATOM 671 CZ PHE A 52 -2.609 5.412 -6.724 1.00 0.00 C ATOM 0 H PHE A 52 0.910 1.176 -8.765 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.530 -0.003 -6.462 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.192 1.810 -5.420 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.014 2.345 -6.872 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.218 3.846 -8.502 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.769 2.902 -4.642 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.736 5.766 -8.642 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.288 4.826 -4.785 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.280 6.256 -6.789 1.00 0.00 H new ATOM 681 N SER A 53 -2.855 0.883 -7.086 1.00 0.00 N ATOM 682 CA SER A 53 -4.197 1.044 -7.615 1.00 0.00 C ATOM 683 C SER A 53 -4.965 2.115 -6.856 1.00 0.00 C ATOM 684 O SER A 53 -5.073 2.075 -5.631 1.00 0.00 O ATOM 685 CB SER A 53 -4.950 -0.280 -7.554 1.00 0.00 C ATOM 686 OG SER A 53 -4.331 -1.250 -8.382 1.00 0.00 O ATOM 0 H SER A 53 -2.813 0.693 -6.085 1.00 0.00 H new ATOM 0 HA SER A 53 -4.111 1.361 -8.654 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.980 -0.639 -6.525 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.983 -0.131 -7.870 1.00 0.00 H new ATOM 0 HG SER A 53 -4.829 -2.092 -8.327 1.00 0.00 H new ATOM 692 N SER A 54 -5.479 3.082 -7.592 1.00 0.00 N ATOM 693 CA SER A 54 -6.248 4.160 -7.012 1.00 0.00 C ATOM 694 C SER A 54 -7.678 3.693 -6.772 1.00 0.00 C ATOM 695 O SER A 54 -8.447 3.507 -7.718 1.00 0.00 O ATOM 696 CB SER A 54 -6.223 5.362 -7.953 1.00 0.00 C ATOM 697 OG SER A 54 -5.744 4.987 -9.235 1.00 0.00 O ATOM 0 H SER A 54 -5.374 3.140 -8.605 1.00 0.00 H new ATOM 0 HA SER A 54 -5.814 4.454 -6.056 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.225 5.781 -8.042 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.587 6.143 -7.536 1.00 0.00 H new ATOM 0 HG SER A 54 -5.737 5.770 -9.824 1.00 0.00 H new ATOM 703 N VAL A 55 -8.026 3.473 -5.517 1.00 0.00 N ATOM 704 CA VAL A 55 -9.359 3.009 -5.182 1.00 0.00 C ATOM 705 C VAL A 55 -10.147 4.088 -4.442 1.00 0.00 C ATOM 706 O VAL A 55 -9.598 4.824 -3.621 1.00 0.00 O ATOM 707 CB VAL A 55 -9.308 1.709 -4.338 1.00 0.00 C ATOM 708 CG1 VAL A 55 -8.724 1.963 -2.955 1.00 0.00 C ATOM 709 CG2 VAL A 55 -10.691 1.075 -4.238 1.00 0.00 C ATOM 0 H VAL A 55 -7.407 3.607 -4.717 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.871 2.788 -6.119 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.647 1.009 -4.849 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.704 1.030 -2.392 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.710 2.349 -3.054 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.340 2.692 -2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.632 0.165 -3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.379 1.775 -3.764 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.053 0.831 -5.237 1.00 0.00 H new ATOM 719 N THR A 56 -11.427 4.193 -4.761 1.00 0.00 N ATOM 720 CA THR A 56 -12.299 5.165 -4.126 1.00 0.00 C ATOM 721 C THR A 56 -13.445 4.445 -3.426 1.00 0.00 C ATOM 722 O THR A 56 -14.029 3.505 -3.972 1.00 0.00 O ATOM 723 CB THR A 56 -12.843 6.202 -5.145 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.689 7.159 -4.488 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.617 5.529 -6.271 1.00 0.00 C ATOM 0 H THR A 56 -11.887 3.612 -5.462 1.00 0.00 H new ATOM 0 HA THR A 56 -11.715 5.716 -3.388 1.00 0.00 H new ATOM 0 HB THR A 56 -11.983 6.713 -5.577 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.022 7.806 -5.144 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.982 6.286 -6.965 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.961 4.838 -6.801 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.462 4.981 -5.855 1.00 0.00 H new ATOM 733 N ALA A 57 -13.728 4.858 -2.197 1.00 0.00 N ATOM 734 CA ALA A 57 -14.798 4.259 -1.418 1.00 0.00 C ATOM 735 C ALA A 57 -16.144 4.478 -2.094 1.00 0.00 C ATOM 736 O ALA A 57 -16.477 5.598 -2.493 1.00 0.00 O ATOM 737 CB ALA A 57 -14.811 4.824 -0.006 1.00 0.00 C ATOM 0 H ALA A 57 -13.228 5.608 -1.719 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.617 3.186 -1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.619 4.364 0.563 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.859 4.612 0.480 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.965 5.902 -0.047 1.00 0.00 H new ATOM 743 N ASP A 58 -16.901 3.401 -2.224 1.00 0.00 N ATOM 744 CA ASP A 58 -18.213 3.449 -2.853 1.00 0.00 C ATOM 745 C ASP A 58 -19.217 4.194 -1.984 1.00 0.00 C ATOM 746 O ASP A 58 -18.860 4.763 -0.950 1.00 0.00 O ATOM 747 CB ASP A 58 -18.721 2.031 -3.152 1.00 0.00 C ATOM 748 CG ASP A 58 -18.715 1.100 -1.946 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.848 1.580 -0.800 1.00 0.00 O ATOM 750 OD2 ASP A 58 -18.585 -0.128 -2.142 1.00 0.00 O ATOM 0 H ASP A 58 -16.627 2.474 -1.899 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.110 3.992 -3.792 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.737 2.095 -3.542 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -18.105 1.594 -3.938 1.00 0.00 H new ATOM 755 N ALA A 59 -20.476 4.172 -2.398 1.00 0.00 N ATOM 756 CA ALA A 59 -21.546 4.845 -1.668 1.00 0.00 C ATOM 757 C ALA A 59 -21.848 4.152 -0.345 1.00 0.00 C ATOM 758 O ALA A 59 -22.615 4.657 0.471 1.00 0.00 O ATOM 759 CB ALA A 59 -22.803 4.911 -2.522 1.00 0.00 C ATOM 0 H ALA A 59 -20.785 3.691 -3.243 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.208 5.857 -1.444 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.594 5.415 -1.967 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.593 5.465 -3.437 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.124 3.901 -2.775 1.00 0.00 H new ATOM 765 N ASN A 60 -21.239 2.997 -0.136 1.00 0.00 N ATOM 766 CA ASN A 60 -21.444 2.238 1.091 1.00 0.00 C ATOM 767 C ASN A 60 -20.302 2.509 2.064 1.00 0.00 C ATOM 768 O ASN A 60 -20.307 2.032 3.198 1.00 0.00 O ATOM 769 CB ASN A 60 -21.520 0.734 0.799 1.00 0.00 C ATOM 770 CG ASN A 60 -22.339 0.401 -0.435 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.306 1.084 -0.773 1.00 0.00 O ATOM 772 ND2 ASN A 60 -21.962 -0.665 -1.117 1.00 0.00 N ATOM 0 H ASN A 60 -20.598 2.562 -0.799 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.388 2.555 1.534 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.510 0.344 0.672 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.952 0.225 1.661 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.477 -0.945 -1.952 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.156 -1.209 -0.809 1.00 0.00 H new ATOM 779 N GLY A 61 -19.319 3.273 1.602 1.00 0.00 N ATOM 780 CA GLY A 61 -18.171 3.594 2.426 1.00 0.00 C ATOM 781 C GLY A 61 -17.191 2.445 2.483 1.00 0.00 C ATOM 782 O GLY A 61 -16.536 2.225 3.502 1.00 0.00 O ATOM 0 H GLY A 61 -19.298 3.677 0.666 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.673 4.479 2.029 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.503 3.840 3.434 1.00 0.00 H new ATOM 786 N SER A 62 -17.109 1.700 1.394 1.00 0.00 N ATOM 787 CA SER A 62 -16.205 0.566 1.312 1.00 0.00 C ATOM 788 C SER A 62 -15.310 0.668 0.081 1.00 0.00 C ATOM 789 O SER A 62 -15.727 1.181 -0.960 1.00 0.00 O ATOM 790 CB SER A 62 -17.004 -0.738 1.282 1.00 0.00 C ATOM 791 OG SER A 62 -18.367 -0.497 0.954 1.00 0.00 O ATOM 0 H SER A 62 -17.660 1.861 0.551 1.00 0.00 H new ATOM 0 HA SER A 62 -15.566 0.572 2.195 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.566 -1.419 0.552 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.942 -1.228 2.253 1.00 0.00 H new ATOM 0 HG SER A 62 -18.417 0.145 0.215 1.00 0.00 H new ATOM 797 N ALA A 63 -14.080 0.199 0.213 1.00 0.00 N ATOM 798 CA ALA A 63 -13.126 0.226 -0.883 1.00 0.00 C ATOM 799 C ALA A 63 -12.424 -1.122 -1.016 1.00 0.00 C ATOM 800 O ALA A 63 -11.745 -1.573 -0.089 1.00 0.00 O ATOM 801 CB ALA A 63 -12.112 1.340 -0.672 1.00 0.00 C ATOM 0 H ALA A 63 -13.717 -0.208 1.075 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.667 0.421 -1.809 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.403 1.349 -1.500 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.629 2.299 -0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.576 1.172 0.262 1.00 0.00 H new ATOM 807 N SER A 64 -12.598 -1.765 -2.160 1.00 0.00 N ATOM 808 CA SER A 64 -11.983 -3.058 -2.412 1.00 0.00 C ATOM 809 C SER A 64 -10.995 -2.958 -3.568 1.00 0.00 C ATOM 810 O SER A 64 -11.350 -2.532 -4.672 1.00 0.00 O ATOM 811 CB SER A 64 -13.060 -4.104 -2.725 1.00 0.00 C ATOM 812 OG SER A 64 -12.697 -5.385 -2.236 1.00 0.00 O ATOM 0 H SER A 64 -13.163 -1.410 -2.932 1.00 0.00 H new ATOM 0 HA SER A 64 -11.442 -3.367 -1.517 1.00 0.00 H new ATOM 0 HB2 SER A 64 -14.007 -3.798 -2.279 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.217 -4.155 -3.802 1.00 0.00 H new ATOM 0 HG SER A 64 -13.404 -6.029 -2.449 1.00 0.00 H new ATOM 818 N THR A 65 -9.755 -3.331 -3.308 1.00 0.00 N ATOM 819 CA THR A 65 -8.723 -3.292 -4.325 1.00 0.00 C ATOM 820 C THR A 65 -7.775 -4.476 -4.159 1.00 0.00 C ATOM 821 O THR A 65 -7.847 -5.207 -3.167 1.00 0.00 O ATOM 822 CB THR A 65 -7.941 -1.958 -4.286 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.165 -1.804 -5.479 1.00 0.00 O ATOM 824 CG2 THR A 65 -7.031 -1.875 -3.068 1.00 0.00 C ATOM 0 H THR A 65 -9.439 -3.665 -2.398 1.00 0.00 H new ATOM 0 HA THR A 65 -9.207 -3.361 -5.299 1.00 0.00 H new ATOM 0 HB THR A 65 -8.671 -1.152 -4.218 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.938 -0.859 -5.602 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.499 -0.924 -3.076 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.630 -1.948 -2.160 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.312 -2.694 -3.095 1.00 0.00 H new ATOM 832 N SER A 66 -6.910 -4.679 -5.139 1.00 0.00 N ATOM 833 CA SER A 66 -5.956 -5.772 -5.104 1.00 0.00 C ATOM 834 C SER A 66 -4.643 -5.344 -5.748 1.00 0.00 C ATOM 835 O SER A 66 -4.615 -4.927 -6.905 1.00 0.00 O ATOM 836 CB SER A 66 -6.530 -6.996 -5.813 1.00 0.00 C ATOM 837 OG SER A 66 -7.770 -7.375 -5.239 1.00 0.00 O ATOM 0 H SER A 66 -6.850 -4.096 -5.974 1.00 0.00 H new ATOM 0 HA SER A 66 -5.760 -6.037 -4.065 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.666 -6.778 -6.872 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.825 -7.825 -5.746 1.00 0.00 H new ATOM 0 HG SER A 66 -8.122 -8.160 -5.709 1.00 0.00 H new ATOM 843 N LEU A 67 -3.557 -5.446 -4.995 1.00 0.00 N ATOM 844 CA LEU A 67 -2.245 -5.046 -5.492 1.00 0.00 C ATOM 845 C LEU A 67 -1.365 -6.253 -5.774 1.00 0.00 C ATOM 846 O LEU A 67 -1.582 -7.332 -5.235 1.00 0.00 O ATOM 847 CB LEU A 67 -1.541 -4.133 -4.479 1.00 0.00 C ATOM 848 CG LEU A 67 -2.103 -2.714 -4.351 1.00 0.00 C ATOM 849 CD1 LEU A 67 -2.408 -2.129 -5.716 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.343 -2.693 -3.474 1.00 0.00 C ATOM 0 H LEU A 67 -3.557 -5.802 -4.039 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.403 -4.505 -6.425 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.584 -4.609 -3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.488 -4.062 -4.753 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.341 -2.097 -3.875 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.806 -1.121 -5.599 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.494 -2.092 -6.308 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.144 -2.753 -6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.720 -1.673 -3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.109 -3.333 -3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.091 -3.058 -2.479 1.00 0.00 H new ATOM 862 N THR A 68 -0.373 -6.060 -6.624 1.00 0.00 N ATOM 863 CA THR A 68 0.561 -7.118 -6.965 1.00 0.00 C ATOM 864 C THR A 68 1.960 -6.725 -6.500 1.00 0.00 C ATOM 865 O THR A 68 2.600 -5.860 -7.093 1.00 0.00 O ATOM 866 CB THR A 68 0.572 -7.389 -8.482 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.758 -7.283 -9.008 1.00 0.00 O ATOM 868 CG2 THR A 68 1.123 -8.774 -8.773 1.00 0.00 C ATOM 0 H THR A 68 -0.193 -5.173 -7.094 1.00 0.00 H new ATOM 0 HA THR A 68 0.244 -8.032 -6.463 1.00 0.00 H new ATOM 0 HB THR A 68 1.212 -6.647 -8.959 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.743 -7.455 -9.973 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.123 -8.947 -9.849 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.142 -8.847 -8.394 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.500 -9.523 -8.285 1.00 0.00 H new ATOM 876 N VAL A 69 2.419 -7.353 -5.429 1.00 0.00 N ATOM 877 CA VAL A 69 3.730 -7.047 -4.867 1.00 0.00 C ATOM 878 C VAL A 69 4.855 -7.718 -5.658 1.00 0.00 C ATOM 879 O VAL A 69 4.820 -8.921 -5.920 1.00 0.00 O ATOM 880 CB VAL A 69 3.809 -7.455 -3.374 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.458 -8.922 -3.180 1.00 0.00 C ATOM 882 CG2 VAL A 69 5.182 -7.148 -2.800 1.00 0.00 C ATOM 0 H VAL A 69 1.905 -8.078 -4.929 1.00 0.00 H new ATOM 0 HA VAL A 69 3.863 -5.968 -4.939 1.00 0.00 H new ATOM 0 HB VAL A 69 3.072 -6.863 -2.831 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.523 -9.175 -2.122 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.443 -9.103 -3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.156 -9.541 -3.745 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.212 -7.443 -1.751 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.940 -7.701 -3.355 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.380 -6.079 -2.882 1.00 0.00 H new ATOM 892 N ARG A 70 5.841 -6.925 -6.059 1.00 0.00 N ATOM 893 CA ARG A 70 6.982 -7.434 -6.810 1.00 0.00 C ATOM 894 C ARG A 70 8.167 -7.665 -5.870 1.00 0.00 C ATOM 895 O ARG A 70 8.094 -7.340 -4.682 1.00 0.00 O ATOM 896 CB ARG A 70 7.389 -6.444 -7.912 1.00 0.00 C ATOM 897 CG ARG A 70 6.220 -5.878 -8.704 1.00 0.00 C ATOM 898 CD ARG A 70 5.538 -6.945 -9.542 1.00 0.00 C ATOM 899 NE ARG A 70 4.323 -6.440 -10.169 1.00 0.00 N ATOM 900 CZ ARG A 70 3.502 -7.173 -10.913 1.00 0.00 C ATOM 901 NH1 ARG A 70 3.783 -8.447 -11.178 1.00 0.00 N ATOM 902 NH2 ARG A 70 2.401 -6.619 -11.405 1.00 0.00 N ATOM 0 H ARG A 70 5.873 -5.922 -5.876 1.00 0.00 H new ATOM 0 HA ARG A 70 6.694 -8.378 -7.272 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.940 -5.620 -7.459 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.071 -6.943 -8.600 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.496 -5.436 -8.019 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.574 -5.077 -9.353 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.225 -7.299 -10.311 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.295 -7.802 -8.913 1.00 0.00 H new ATOM 0 HE ARG A 70 4.087 -5.458 -10.027 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.635 -8.869 -10.809 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.146 -9.001 -11.750 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.192 -5.640 -11.211 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.764 -7.172 -11.978 1.00 0.00 H new ATOM 916 N ARG A 71 9.250 -8.217 -6.401 1.00 0.00 N ATOM 917 CA ARG A 71 10.445 -8.481 -5.604 1.00 0.00 C ATOM 918 C ARG A 71 11.220 -7.181 -5.385 1.00 0.00 C ATOM 919 O ARG A 71 11.848 -6.981 -4.344 1.00 0.00 O ATOM 920 CB ARG A 71 11.324 -9.522 -6.306 1.00 0.00 C ATOM 921 CG ARG A 71 12.251 -10.279 -5.368 1.00 0.00 C ATOM 922 CD ARG A 71 11.486 -11.237 -4.470 1.00 0.00 C ATOM 923 NE ARG A 71 10.871 -12.333 -5.219 1.00 0.00 N ATOM 924 CZ ARG A 71 10.621 -13.543 -4.712 1.00 0.00 C ATOM 925 NH1 ARG A 71 10.981 -13.846 -3.466 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.016 -14.460 -5.459 1.00 0.00 N ATOM 0 H ARG A 71 9.328 -8.491 -7.380 1.00 0.00 H new ATOM 0 HA ARG A 71 10.149 -8.878 -4.633 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.682 -10.237 -6.822 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.923 -9.023 -7.068 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.984 -10.835 -5.952 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.805 -9.569 -4.754 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.163 -11.648 -3.721 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.712 -10.688 -3.933 1.00 0.00 H new ATOM 0 HE ARG A 71 10.617 -12.162 -6.192 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.453 -13.151 -2.888 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.785 -14.773 -3.090 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.744 -14.239 -6.417 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.824 -15.385 -5.075 1.00 0.00 H new ATOM 940 N SER A 72 11.164 -6.304 -6.377 1.00 0.00 N ATOM 941 CA SER A 72 11.824 -5.007 -6.321 1.00 0.00 C ATOM 942 C SER A 72 10.854 -3.942 -6.817 1.00 0.00 C ATOM 943 O SER A 72 9.984 -4.239 -7.638 1.00 0.00 O ATOM 944 CB SER A 72 13.087 -5.009 -7.183 1.00 0.00 C ATOM 945 OG SER A 72 13.843 -6.194 -6.982 1.00 0.00 O ATOM 0 H SER A 72 10.658 -6.472 -7.246 1.00 0.00 H new ATOM 0 HA SER A 72 12.116 -4.793 -5.293 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.813 -4.923 -8.235 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.698 -4.139 -6.940 1.00 0.00 H new ATOM 0 HG SER A 72 14.166 -6.223 -6.057 1.00 0.00 H new ATOM 951 N PHE A 73 10.992 -2.715 -6.335 1.00 0.00 N ATOM 952 CA PHE A 73 10.087 -1.649 -6.740 1.00 0.00 C ATOM 953 C PHE A 73 10.678 -0.272 -6.463 1.00 0.00 C ATOM 954 O PHE A 73 11.690 -0.139 -5.773 1.00 0.00 O ATOM 955 CB PHE A 73 8.739 -1.800 -6.020 1.00 0.00 C ATOM 956 CG PHE A 73 8.825 -1.708 -4.517 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.432 -2.712 -3.775 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.292 -0.620 -3.849 1.00 0.00 C ATOM 959 CE1 PHE A 73 9.505 -2.629 -2.399 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.364 -0.532 -2.474 1.00 0.00 C ATOM 961 CZ PHE A 73 8.969 -1.536 -1.748 1.00 0.00 C ATOM 0 H PHE A 73 11.713 -2.435 -5.670 1.00 0.00 H new ATOM 0 HA PHE A 73 9.934 -1.734 -7.816 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.059 -1.029 -6.381 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.302 -2.762 -6.289 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.852 -3.569 -4.281 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.814 0.169 -4.410 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.980 -3.417 -1.833 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.946 0.324 -1.966 1.00 0.00 H new ATOM 0 HZ PHE A 73 9.023 -1.467 -0.672 1.00 0.00 H new ATOM 971 N GLU A 74 10.042 0.745 -7.023 1.00 0.00 N ATOM 972 CA GLU A 74 10.470 2.124 -6.845 1.00 0.00 C ATOM 973 C GLU A 74 9.955 2.672 -5.518 1.00 0.00 C ATOM 974 O GLU A 74 8.949 2.201 -4.989 1.00 0.00 O ATOM 975 CB GLU A 74 9.952 2.997 -7.994 1.00 0.00 C ATOM 976 CG GLU A 74 10.188 2.402 -9.378 1.00 0.00 C ATOM 977 CD GLU A 74 8.974 1.669 -9.918 1.00 0.00 C ATOM 978 OE1 GLU A 74 8.610 0.614 -9.357 1.00 0.00 O ATOM 979 OE2 GLU A 74 8.384 2.136 -10.914 1.00 0.00 O ATOM 0 H GLU A 74 9.216 0.638 -7.612 1.00 0.00 H new ATOM 0 HA GLU A 74 11.560 2.146 -6.843 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.883 3.162 -7.858 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.435 3.973 -7.942 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.463 3.199 -10.069 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.032 1.714 -9.333 1.00 0.00 H new ATOM 986 N GLY A 75 10.653 3.659 -4.984 1.00 0.00 N ATOM 987 CA GLY A 75 10.251 4.256 -3.733 1.00 0.00 C ATOM 988 C GLY A 75 9.775 5.679 -3.926 1.00 0.00 C ATOM 989 O GLY A 75 10.576 6.575 -4.195 1.00 0.00 O ATOM 0 H GLY A 75 11.495 4.059 -5.398 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.454 3.662 -3.285 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.089 4.243 -3.036 1.00 0.00 H new ATOM 993 N PHE A 76 8.473 5.890 -3.792 1.00 0.00 N ATOM 994 CA PHE A 76 7.884 7.208 -3.963 1.00 0.00 C ATOM 995 C PHE A 76 7.128 7.611 -2.711 1.00 0.00 C ATOM 996 O PHE A 76 6.547 6.765 -2.027 1.00 0.00 O ATOM 997 CB PHE A 76 6.935 7.228 -5.161 1.00 0.00 C ATOM 998 CG PHE A 76 7.626 7.401 -6.485 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.273 6.337 -7.091 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.611 8.626 -7.132 1.00 0.00 C ATOM 1001 CE1 PHE A 76 8.898 6.493 -8.312 1.00 0.00 C ATOM 1002 CE2 PHE A 76 8.231 8.786 -8.357 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.874 7.718 -8.948 1.00 0.00 C ATOM 0 H PHE A 76 7.801 5.158 -3.563 1.00 0.00 H new ATOM 0 HA PHE A 76 8.691 7.918 -4.143 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.368 6.297 -5.178 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.217 8.037 -5.029 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.289 5.374 -6.603 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.109 9.466 -6.674 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.406 5.657 -8.770 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.212 9.746 -8.851 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.357 7.840 -9.906 1.00 0.00 H new ATOM 1013 N LEU A 77 7.151 8.895 -2.407 1.00 0.00 N ATOM 1014 CA LEU A 77 6.457 9.415 -1.245 1.00 0.00 C ATOM 1015 C LEU A 77 4.991 9.661 -1.582 1.00 0.00 C ATOM 1016 O LEU A 77 4.568 9.463 -2.722 1.00 0.00 O ATOM 1017 CB LEU A 77 7.113 10.713 -0.773 1.00 0.00 C ATOM 1018 CG LEU A 77 8.615 10.622 -0.475 1.00 0.00 C ATOM 1019 CD1 LEU A 77 9.162 11.986 -0.087 1.00 0.00 C ATOM 1020 CD2 LEU A 77 8.888 9.612 0.632 1.00 0.00 C ATOM 0 H LEU A 77 7.646 9.600 -2.953 1.00 0.00 H new ATOM 0 HA LEU A 77 6.518 8.681 -0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.957 11.477 -1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.601 11.052 0.128 1.00 0.00 H new ATOM 0 HG LEU A 77 9.120 10.285 -1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.229 11.904 0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.005 12.688 -0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.645 12.346 0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.960 9.565 0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.368 9.918 1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.532 8.629 0.324 1.00 0.00 H new ATOM 1032 N PHE A 78 4.217 10.106 -0.599 1.00 0.00 N ATOM 1033 CA PHE A 78 2.798 10.375 -0.813 1.00 0.00 C ATOM 1034 C PHE A 78 2.605 11.685 -1.564 1.00 0.00 C ATOM 1035 O PHE A 78 1.517 11.976 -2.060 1.00 0.00 O ATOM 1036 CB PHE A 78 2.040 10.423 0.518 1.00 0.00 C ATOM 1037 CG PHE A 78 1.632 9.071 1.037 1.00 0.00 C ATOM 1038 CD1 PHE A 78 1.103 8.112 0.185 1.00 0.00 C ATOM 1039 CD2 PHE A 78 1.776 8.760 2.378 1.00 0.00 C ATOM 1040 CE1 PHE A 78 0.729 6.869 0.662 1.00 0.00 C ATOM 1041 CE2 PHE A 78 1.402 7.519 2.861 1.00 0.00 C ATOM 1042 CZ PHE A 78 0.879 6.574 2.002 1.00 0.00 C ATOM 0 H PHE A 78 4.545 10.288 0.350 1.00 0.00 H new ATOM 0 HA PHE A 78 2.394 9.560 -1.414 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.666 10.914 1.264 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.149 11.038 0.395 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.982 8.339 -0.864 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.185 9.495 3.055 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.321 6.131 -0.012 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.519 7.290 3.910 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.587 5.604 2.378 1.00 0.00 H new ATOM 1052 N ASP A 79 3.663 12.479 -1.633 1.00 0.00 N ATOM 1053 CA ASP A 79 3.610 13.752 -2.332 1.00 0.00 C ATOM 1054 C ASP A 79 3.972 13.567 -3.806 1.00 0.00 C ATOM 1055 O ASP A 79 3.696 14.433 -4.638 1.00 0.00 O ATOM 1056 CB ASP A 79 4.539 14.774 -1.669 1.00 0.00 C ATOM 1057 CG ASP A 79 5.879 14.895 -2.367 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.676 13.939 -2.309 1.00 0.00 O ATOM 1059 OD2 ASP A 79 6.142 15.953 -2.977 1.00 0.00 O ATOM 0 H ASP A 79 4.567 12.264 -1.214 1.00 0.00 H new ATOM 0 HA ASP A 79 2.591 14.134 -2.274 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.051 15.749 -1.660 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.701 14.489 -0.630 1.00 0.00 H new ATOM 1064 N GLY A 80 4.595 12.436 -4.123 1.00 0.00 N ATOM 1065 CA GLY A 80 4.965 12.156 -5.499 1.00 0.00 C ATOM 1066 C GLY A 80 6.464 12.205 -5.749 1.00 0.00 C ATOM 1067 O GLY A 80 6.923 11.886 -6.846 1.00 0.00 O ATOM 0 H GLY A 80 4.850 11.710 -3.454 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.592 11.169 -5.773 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.473 12.876 -6.152 1.00 0.00 H new ATOM 1071 N THR A 81 7.235 12.612 -4.749 1.00 0.00 N ATOM 1072 CA THR A 81 8.678 12.685 -4.894 1.00 0.00 C ATOM 1073 C THR A 81 9.308 11.311 -4.682 1.00 0.00 C ATOM 1074 O THR A 81 8.890 10.556 -3.800 1.00 0.00 O ATOM 1075 CB THR A 81 9.281 13.705 -3.905 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.584 14.955 -4.014 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.759 13.925 -4.173 1.00 0.00 C ATOM 0 H THR A 81 6.885 12.895 -3.834 1.00 0.00 H new ATOM 0 HA THR A 81 8.897 13.019 -5.908 1.00 0.00 H new ATOM 0 HB THR A 81 9.171 13.305 -2.897 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.968 15.600 -3.384 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.154 14.648 -3.460 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.293 12.981 -4.066 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.893 14.304 -5.186 1.00 0.00 H new ATOM 1085 N ARG A 82 10.287 10.976 -5.511 1.00 0.00 N ATOM 1086 CA ARG A 82 10.964 9.690 -5.410 1.00 0.00 C ATOM 1087 C ARG A 82 12.096 9.750 -4.396 1.00 0.00 C ATOM 1088 O ARG A 82 12.829 10.736 -4.323 1.00 0.00 O ATOM 1089 CB ARG A 82 11.521 9.244 -6.766 1.00 0.00 C ATOM 1090 CG ARG A 82 12.433 10.264 -7.428 1.00 0.00 C ATOM 1091 CD ARG A 82 13.535 9.588 -8.228 1.00 0.00 C ATOM 1092 NE ARG A 82 14.638 9.137 -7.375 1.00 0.00 N ATOM 1093 CZ ARG A 82 15.446 8.117 -7.672 1.00 0.00 C ATOM 1094 NH1 ARG A 82 15.274 7.428 -8.793 1.00 0.00 N ATOM 1095 NH2 ARG A 82 16.431 7.785 -6.844 1.00 0.00 N ATOM 0 H ARG A 82 10.630 11.576 -6.261 1.00 0.00 H new ATOM 0 HA ARG A 82 10.223 8.963 -5.079 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.072 8.313 -6.632 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.688 9.028 -7.436 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.846 10.906 -8.085 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.876 10.906 -6.667 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.121 8.735 -8.766 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.917 10.282 -8.977 1.00 0.00 H new ATOM 0 HE ARG A 82 14.798 9.634 -6.499 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.521 7.677 -9.434 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.895 6.650 -9.014 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.570 8.310 -5.981 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.048 7.005 -7.072 1.00 0.00 H new ATOM 1109 N TRP A 83 12.229 8.691 -3.616 1.00 0.00 N ATOM 1110 CA TRP A 83 13.276 8.611 -2.612 1.00 0.00 C ATOM 1111 C TRP A 83 14.382 7.673 -3.088 1.00 0.00 C ATOM 1112 O TRP A 83 15.508 7.714 -2.594 1.00 0.00 O ATOM 1113 CB TRP A 83 12.698 8.118 -1.281 1.00 0.00 C ATOM 1114 CG TRP A 83 13.557 8.448 -0.097 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.488 7.642 0.498 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.566 9.679 0.634 1.00 0.00 C ATOM 1117 NE1 TRP A 83 15.072 8.297 1.553 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.526 9.548 1.660 1.00 0.00 C ATOM 1119 CE3 TRP A 83 12.859 10.879 0.525 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 14.792 10.571 2.563 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 13.125 11.895 1.425 1.00 0.00 C ATOM 1122 CH2 TRP A 83 14.087 11.736 2.431 1.00 0.00 C ATOM 0 H TRP A 83 11.623 7.872 -3.659 1.00 0.00 H new ATOM 0 HA TRP A 83 13.697 9.605 -2.460 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.711 8.558 -1.138 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.562 7.038 -1.331 1.00 0.00 H new ATOM 0 HD1 TRP A 83 14.728 6.637 0.184 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.796 7.913 2.160 1.00 0.00 H new ATOM 0 HE3 TRP A 83 12.117 11.011 -0.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.530 10.450 3.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 12.582 12.826 1.351 1.00 0.00 H new ATOM 0 HH2 TRP A 83 14.276 12.549 3.116 1.00 0.00 H new ATOM 1133 N GLY A 84 14.056 6.823 -4.051 1.00 0.00 N ATOM 1134 CA GLY A 84 15.032 5.895 -4.577 1.00 0.00 C ATOM 1135 C GLY A 84 14.417 4.566 -4.944 1.00 0.00 C ATOM 1136 O GLY A 84 13.227 4.492 -5.250 1.00 0.00 O ATOM 0 H GLY A 84 13.131 6.761 -4.477 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.506 6.329 -5.457 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.817 5.738 -3.837 1.00 0.00 H new ATOM 1140 N THR A 85 15.218 3.518 -4.909 1.00 0.00 N ATOM 1141 CA THR A 85 14.748 2.189 -5.246 1.00 0.00 C ATOM 1142 C THR A 85 14.747 1.294 -4.016 1.00 0.00 C ATOM 1143 O THR A 85 15.674 1.340 -3.205 1.00 0.00 O ATOM 1144 CB THR A 85 15.636 1.558 -6.335 1.00 0.00 C ATOM 1145 OG1 THR A 85 16.087 2.576 -7.247 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.882 0.484 -7.104 1.00 0.00 C ATOM 0 H THR A 85 16.203 3.563 -4.649 1.00 0.00 H new ATOM 0 HA THR A 85 13.730 2.281 -5.624 1.00 0.00 H new ATOM 0 HB THR A 85 16.493 1.094 -5.847 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.653 2.170 -7.937 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.534 0.057 -7.866 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.564 -0.300 -6.417 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.007 0.925 -7.581 1.00 0.00 H new ATOM 1154 N VAL A 86 13.698 0.502 -3.867 1.00 0.00 N ATOM 1155 CA VAL A 86 13.581 -0.405 -2.736 1.00 0.00 C ATOM 1156 C VAL A 86 13.569 -1.844 -3.232 1.00 0.00 C ATOM 1157 O VAL A 86 13.141 -2.120 -4.355 1.00 0.00 O ATOM 1158 CB VAL A 86 12.304 -0.140 -1.906 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.528 -0.527 -0.451 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.872 1.317 -2.010 1.00 0.00 C ATOM 0 H VAL A 86 12.913 0.469 -4.517 1.00 0.00 H new ATOM 0 HA VAL A 86 14.441 -0.233 -2.089 1.00 0.00 H new ATOM 0 HB VAL A 86 11.503 -0.757 -2.313 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.620 -0.335 0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.777 -1.586 -0.391 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.347 0.063 -0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.971 1.473 -1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.669 1.960 -1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.666 1.562 -3.052 1.00 0.00 H new ATOM 1170 N ASP A 87 14.043 -2.761 -2.408 1.00 0.00 N ATOM 1171 CA ASP A 87 14.086 -4.161 -2.792 1.00 0.00 C ATOM 1172 C ASP A 87 13.645 -5.059 -1.645 1.00 0.00 C ATOM 1173 O ASP A 87 14.014 -4.841 -0.491 1.00 0.00 O ATOM 1174 CB ASP A 87 15.497 -4.534 -3.248 1.00 0.00 C ATOM 1175 CG ASP A 87 15.618 -5.996 -3.624 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.380 -6.337 -4.802 1.00 0.00 O ATOM 1177 OD2 ASP A 87 15.950 -6.814 -2.742 1.00 0.00 O ATOM 0 H ASP A 87 14.402 -2.564 -1.474 1.00 0.00 H new ATOM 0 HA ASP A 87 13.392 -4.310 -3.619 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.773 -3.918 -4.104 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.205 -4.308 -2.451 1.00 0.00 H new ATOM 1182 N CYS A 88 12.851 -6.066 -1.969 1.00 0.00 N ATOM 1183 CA CYS A 88 12.357 -6.996 -0.971 1.00 0.00 C ATOM 1184 C CYS A 88 12.847 -8.412 -1.261 1.00 0.00 C ATOM 1185 O CYS A 88 12.213 -9.391 -0.872 1.00 0.00 O ATOM 1186 CB CYS A 88 10.827 -6.952 -0.914 1.00 0.00 C ATOM 1187 SG CYS A 88 10.158 -5.393 -0.242 1.00 0.00 S ATOM 0 H CYS A 88 12.535 -6.259 -2.919 1.00 0.00 H new ATOM 0 HA CYS A 88 12.747 -6.697 0.002 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.431 -7.103 -1.918 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.472 -7.782 -0.303 1.00 0.00 H new ATOM 1192 N THR A 89 13.979 -8.517 -1.947 1.00 0.00 N ATOM 1193 CA THR A 89 14.557 -9.813 -2.251 1.00 0.00 C ATOM 1194 C THR A 89 15.310 -10.323 -1.028 1.00 0.00 C ATOM 1195 O THR A 89 15.332 -11.520 -0.739 1.00 0.00 O ATOM 1196 CB THR A 89 15.511 -9.748 -3.460 1.00 0.00 C ATOM 1197 OG1 THR A 89 14.931 -8.948 -4.499 1.00 0.00 O ATOM 1198 CG2 THR A 89 15.806 -11.142 -3.996 1.00 0.00 C ATOM 0 H THR A 89 14.510 -7.721 -2.301 1.00 0.00 H new ATOM 0 HA THR A 89 13.746 -10.494 -2.509 1.00 0.00 H new ATOM 0 HB THR A 89 16.447 -9.297 -3.130 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.502 -8.170 -4.670 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.481 -11.069 -4.849 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.273 -11.741 -3.214 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.876 -11.616 -4.310 1.00 0.00 H new ATOM 1206 N THR A 90 15.912 -9.389 -0.302 1.00 0.00 N ATOM 1207 CA THR A 90 16.654 -9.709 0.904 1.00 0.00 C ATOM 1208 C THR A 90 16.039 -8.978 2.098 1.00 0.00 C ATOM 1209 O THR A 90 16.593 -8.963 3.198 1.00 0.00 O ATOM 1210 CB THR A 90 18.145 -9.322 0.760 1.00 0.00 C ATOM 1211 OG1 THR A 90 18.935 -10.028 1.726 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.351 -7.820 0.940 1.00 0.00 C ATOM 0 H THR A 90 15.898 -8.396 -0.533 1.00 0.00 H new ATOM 0 HA THR A 90 16.597 -10.785 1.066 1.00 0.00 H new ATOM 0 HB THR A 90 18.461 -9.596 -0.246 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.503 -9.974 2.604 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.409 -7.582 0.833 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.780 -7.281 0.184 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.011 -7.522 1.932 1.00 0.00 H new ATOM 1220 N ALA A 91 14.882 -8.376 1.869 1.00 0.00 N ATOM 1221 CA ALA A 91 14.188 -7.629 2.902 1.00 0.00 C ATOM 1222 C ALA A 91 12.702 -7.942 2.869 1.00 0.00 C ATOM 1223 O ALA A 91 12.212 -8.564 1.926 1.00 0.00 O ATOM 1224 CB ALA A 91 14.424 -6.135 2.723 1.00 0.00 C ATOM 0 H ALA A 91 14.402 -8.392 0.969 1.00 0.00 H new ATOM 0 HA ALA A 91 14.582 -7.926 3.874 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.898 -5.587 3.505 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.492 -5.925 2.789 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.052 -5.822 1.747 1.00 0.00 H new ATOM 1230 N ALA A 92 11.990 -7.523 3.898 1.00 0.00 N ATOM 1231 CA ALA A 92 10.561 -7.758 3.970 1.00 0.00 C ATOM 1232 C ALA A 92 9.789 -6.595 3.361 1.00 0.00 C ATOM 1233 O ALA A 92 10.184 -5.435 3.493 1.00 0.00 O ATOM 1234 CB ALA A 92 10.133 -7.987 5.410 1.00 0.00 C ATOM 0 H ALA A 92 12.378 -7.018 4.695 1.00 0.00 H new ATOM 0 HA ALA A 92 10.333 -8.655 3.394 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.058 -8.162 5.447 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.656 -8.855 5.811 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.378 -7.108 6.007 1.00 0.00 H new ATOM 1240 N CYS A 93 8.694 -6.918 2.692 1.00 0.00 N ATOM 1241 CA CYS A 93 7.846 -5.917 2.066 1.00 0.00 C ATOM 1242 C CYS A 93 6.618 -5.701 2.934 1.00 0.00 C ATOM 1243 O CYS A 93 6.333 -6.510 3.815 1.00 0.00 O ATOM 1244 CB CYS A 93 7.422 -6.381 0.666 1.00 0.00 C ATOM 1245 SG CYS A 93 8.184 -5.457 -0.710 1.00 0.00 S ATOM 0 H CYS A 93 8.369 -7.877 2.568 1.00 0.00 H new ATOM 0 HA CYS A 93 8.398 -4.982 1.967 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.671 -7.437 0.558 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.338 -6.299 0.584 1.00 0.00 H new ATOM 1250 N GLN A 94 5.899 -4.615 2.718 1.00 0.00 N ATOM 1251 CA GLN A 94 4.698 -4.356 3.497 1.00 0.00 C ATOM 1252 C GLN A 94 3.646 -3.625 2.673 1.00 0.00 C ATOM 1253 O GLN A 94 3.956 -2.970 1.680 1.00 0.00 O ATOM 1254 CB GLN A 94 5.024 -3.572 4.771 1.00 0.00 C ATOM 1255 CG GLN A 94 5.885 -2.341 4.556 1.00 0.00 C ATOM 1256 CD GLN A 94 6.441 -1.813 5.862 1.00 0.00 C ATOM 1257 OE1 GLN A 94 7.510 -2.231 6.305 1.00 0.00 O ATOM 1258 NE2 GLN A 94 5.717 -0.904 6.496 1.00 0.00 N ATOM 0 H GLN A 94 6.120 -3.905 2.020 1.00 0.00 H new ATOM 0 HA GLN A 94 4.285 -5.322 3.787 1.00 0.00 H new ATOM 0 HB2 GLN A 94 4.090 -3.267 5.243 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.532 -4.236 5.470 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.707 -2.584 3.882 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.295 -1.564 4.071 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.836 -0.583 6.095 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.040 -0.524 7.386 1.00 0.00 H new ATOM 1267 N VAL A 95 2.399 -3.753 3.086 1.00 0.00 N ATOM 1268 CA VAL A 95 1.300 -3.112 2.388 1.00 0.00 C ATOM 1269 C VAL A 95 1.072 -1.711 2.938 1.00 0.00 C ATOM 1270 O VAL A 95 0.836 -1.537 4.135 1.00 0.00 O ATOM 1271 CB VAL A 95 -0.005 -3.922 2.505 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -1.032 -3.439 1.491 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.266 -5.413 2.339 1.00 0.00 C ATOM 0 H VAL A 95 2.121 -4.296 3.903 1.00 0.00 H new ATOM 0 HA VAL A 95 1.575 -3.058 1.335 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.415 -3.764 3.502 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.946 -4.025 1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.254 -2.387 1.671 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.633 -3.559 0.484 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.670 -5.965 2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.706 -5.596 1.359 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.956 -5.746 3.114 1.00 0.00 H new ATOM 1283 N GLY A 96 1.159 -0.724 2.065 1.00 0.00 N ATOM 1284 CA GLY A 96 0.966 0.648 2.470 1.00 0.00 C ATOM 1285 C GLY A 96 -0.408 1.153 2.105 1.00 0.00 C ATOM 1286 O GLY A 96 -0.711 1.351 0.931 1.00 0.00 O ATOM 0 H GLY A 96 1.362 -0.851 1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.110 0.732 3.547 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.721 1.276 1.997 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.240 1.345 3.116 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.600 1.822 2.913 1.00 0.00 C ATOM 1292 C LEU A 97 -2.836 3.110 3.693 1.00 0.00 C ATOM 1293 O LEU A 97 -2.745 3.126 4.923 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.618 0.756 3.351 1.00 0.00 C ATOM 1295 CG LEU A 97 -3.027 -0.590 3.795 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -2.598 -0.543 5.256 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -4.031 -1.712 3.571 1.00 0.00 C ATOM 0 H LEU A 97 -0.996 1.177 4.092 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.734 2.022 1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.209 1.161 4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.305 0.575 2.524 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.143 -0.787 3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.183 -1.509 5.545 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.842 0.231 5.388 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.462 -0.318 5.882 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.596 -2.659 3.891 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.933 -1.514 4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.284 -1.768 2.512 1.00 0.00 H new ATOM 1309 N SER A 98 -3.098 4.194 2.978 1.00 0.00 N ATOM 1310 CA SER A 98 -3.355 5.482 3.607 1.00 0.00 C ATOM 1311 C SER A 98 -4.234 6.345 2.709 1.00 0.00 C ATOM 1312 O SER A 98 -4.389 6.062 1.523 1.00 0.00 O ATOM 1313 CB SER A 98 -2.039 6.209 3.903 1.00 0.00 C ATOM 1314 OG SER A 98 -1.216 5.447 4.767 1.00 0.00 O ATOM 0 H SER A 98 -3.138 4.208 1.959 1.00 0.00 H new ATOM 0 HA SER A 98 -3.876 5.305 4.548 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.510 6.403 2.970 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.250 7.177 4.357 1.00 0.00 H new ATOM 0 HG SER A 98 -1.693 4.636 5.042 1.00 0.00 H new ATOM 1320 N ASP A 99 -4.824 7.381 3.283 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.675 8.295 2.532 1.00 0.00 C ATOM 1322 C ASP A 99 -4.879 9.534 2.121 1.00 0.00 C ATOM 1323 O ASP A 99 -3.645 9.520 2.135 1.00 0.00 O ATOM 1324 CB ASP A 99 -6.892 8.703 3.375 1.00 0.00 C ATOM 1325 CG ASP A 99 -6.546 9.721 4.445 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.684 9.429 5.297 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.120 10.828 4.421 1.00 0.00 O ATOM 0 H ASP A 99 -4.729 7.612 4.272 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.027 7.788 1.634 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.660 9.116 2.721 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.317 7.816 3.846 1.00 0.00 H new ATOM 1332 N ALA A 100 -5.586 10.598 1.759 1.00 0.00 N ATOM 1333 CA ALA A 100 -4.943 11.841 1.359 1.00 0.00 C ATOM 1334 C ALA A 100 -4.193 12.463 2.534 1.00 0.00 C ATOM 1335 O ALA A 100 -3.122 13.045 2.358 1.00 0.00 O ATOM 1336 CB ALA A 100 -5.974 12.816 0.809 1.00 0.00 C ATOM 0 H ALA A 100 -6.605 10.624 1.735 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.221 11.618 0.573 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.479 13.741 0.514 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -6.466 12.375 -0.058 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.717 13.031 1.577 1.00 0.00 H new ATOM 1342 N ALA A 101 -4.751 12.322 3.733 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.130 12.868 4.931 1.00 0.00 C ATOM 1344 C ALA A 101 -2.991 11.976 5.406 1.00 0.00 C ATOM 1345 O ALA A 101 -1.901 12.459 5.714 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.165 13.044 6.031 1.00 0.00 C ATOM 0 H ALA A 101 -5.631 11.834 3.899 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.715 13.845 4.685 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.685 13.453 6.920 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.944 13.727 5.692 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.609 12.078 6.271 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.246 10.676 5.472 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.220 9.747 5.902 1.00 0.00 C ATOM 1354 C GLY A 102 -2.660 8.901 7.081 1.00 0.00 C ATOM 1355 O GLY A 102 -1.843 8.522 7.924 1.00 0.00 O ATOM 0 H GLY A 102 -4.142 10.249 5.236 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -1.953 9.095 5.070 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.322 10.302 6.172 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.951 8.608 7.140 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.513 7.809 8.221 1.00 0.00 C ATOM 1361 C ASN A 103 -5.196 6.565 7.667 1.00 0.00 C ATOM 1362 O ASN A 103 -5.104 6.280 6.471 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.510 8.641 9.029 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.877 9.289 10.244 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -4.000 8.714 10.887 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -5.308 10.499 10.558 1.00 0.00 N ATOM 0 H ASN A 103 -4.634 8.914 6.447 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.701 7.496 8.877 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.935 9.414 8.389 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -6.334 8.004 9.349 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.911 10.990 11.359 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.037 10.942 9.999 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.876 5.827 8.535 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.567 4.626 8.114 1.00 0.00 C ATOM 1375 C GLY A 104 -6.087 3.401 8.867 1.00 0.00 C ATOM 1376 O GLY A 104 -5.671 3.509 10.023 1.00 0.00 O ATOM 0 H GLY A 104 -5.961 6.041 9.529 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.639 4.751 8.270 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.416 4.477 7.045 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.132 2.219 8.234 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.691 0.974 8.862 1.00 0.00 C ATOM 1382 C PRO A 105 -4.172 0.915 9.003 1.00 0.00 C ATOM 1383 O PRO A 105 -3.444 1.582 8.265 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.180 -0.109 7.897 1.00 0.00 C ATOM 1385 CG PRO A 105 -6.280 0.571 6.574 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.621 2.010 6.858 1.00 0.00 C ATOM 0 HA PRO A 105 -6.082 0.864 9.873 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.484 -0.947 7.859 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.145 -0.510 8.209 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -5.340 0.496 6.027 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.047 0.105 5.955 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.134 2.684 6.153 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.693 2.190 6.782 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.695 0.122 9.952 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.262 -0.016 10.177 1.00 0.00 C ATOM 1396 C GLU A 106 -1.623 -0.870 9.081 1.00 0.00 C ATOM 1397 O GLU A 106 -2.284 -1.722 8.480 1.00 0.00 O ATOM 1398 CB GLU A 106 -2.002 -0.620 11.557 1.00 0.00 C ATOM 1399 CG GLU A 106 -2.467 0.279 12.696 1.00 0.00 C ATOM 1400 CD GLU A 106 -2.133 -0.273 14.064 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -0.960 -0.625 14.300 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -3.043 -0.347 14.916 1.00 0.00 O ATOM 0 H GLU A 106 -4.277 -0.435 10.578 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.806 0.973 10.141 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.511 -1.581 11.629 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -0.935 -0.815 11.667 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.008 1.261 12.586 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.545 0.421 12.622 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.339 -0.636 8.829 1.00 0.00 N ATOM 1410 CA GLY A 107 0.369 -1.368 7.795 1.00 0.00 C ATOM 1411 C GLY A 107 0.638 -2.808 8.173 1.00 0.00 C ATOM 1412 O GLY A 107 0.792 -3.134 9.352 1.00 0.00 O ATOM 0 H GLY A 107 0.227 0.052 9.326 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.214 -1.342 6.874 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.316 -0.869 7.587 1.00 0.00 H new ATOM 1416 N VAL A 108 0.691 -3.676 7.171 1.00 0.00 N ATOM 1417 CA VAL A 108 0.948 -5.089 7.399 1.00 0.00 C ATOM 1418 C VAL A 108 2.220 -5.517 6.683 1.00 0.00 C ATOM 1419 O VAL A 108 2.346 -5.342 5.470 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.221 -5.969 6.907 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.003 -7.424 7.298 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.548 -5.464 7.450 1.00 0.00 C ATOM 0 H VAL A 108 0.559 -3.424 6.191 1.00 0.00 H new ATOM 0 HA VAL A 108 1.059 -5.226 8.475 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.253 -5.907 5.819 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.839 -8.026 6.941 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.922 -7.786 6.850 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.064 -7.503 8.383 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.355 -6.101 7.089 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.528 -5.487 8.540 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.714 -4.441 7.112 1.00 0.00 H new ATOM 1432 N ALA A 109 3.163 -6.067 7.435 1.00 0.00 N ATOM 1433 CA ALA A 109 4.419 -6.526 6.867 1.00 0.00 C ATOM 1434 C ALA A 109 4.298 -7.969 6.399 1.00 0.00 C ATOM 1435 O ALA A 109 3.739 -8.815 7.103 1.00 0.00 O ATOM 1436 CB ALA A 109 5.545 -6.385 7.875 1.00 0.00 C ATOM 0 H ALA A 109 3.080 -6.206 8.442 1.00 0.00 H new ATOM 0 HA ALA A 109 4.652 -5.903 6.004 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.477 -6.734 7.431 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.649 -5.338 8.161 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.319 -6.981 8.759 1.00 0.00 H new ATOM 1442 N ILE A 110 4.824 -8.244 5.215 1.00 0.00 N ATOM 1443 CA ILE A 110 4.770 -9.577 4.634 1.00 0.00 C ATOM 1444 C ILE A 110 6.159 -10.021 4.184 1.00 0.00 C ATOM 1445 O ILE A 110 7.011 -9.195 3.847 1.00 0.00 O ATOM 1446 CB ILE A 110 3.802 -9.635 3.428 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.179 -8.564 2.391 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.359 -9.460 3.889 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.368 -8.635 1.117 1.00 0.00 C ATOM 0 H ILE A 110 5.298 -7.554 4.633 1.00 0.00 H new ATOM 0 HA ILE A 110 4.401 -10.251 5.408 1.00 0.00 H new ATOM 0 HB ILE A 110 3.889 -10.615 2.958 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.051 -7.578 2.838 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.236 -8.667 2.144 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.694 -9.504 3.027 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.101 -10.256 4.587 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.249 -8.495 4.383 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.692 -7.848 0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.515 -9.607 0.646 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.312 -8.501 1.350 1.00 0.00 H new ATOM 1461 N SER A 111 6.393 -11.320 4.191 1.00 0.00 N ATOM 1462 CA SER A 111 7.674 -11.860 3.776 1.00 0.00 C ATOM 1463 C SER A 111 7.473 -12.967 2.751 1.00 0.00 C ATOM 1464 O SER A 111 6.532 -13.759 2.855 1.00 0.00 O ATOM 1465 CB SER A 111 8.448 -12.382 4.989 1.00 0.00 C ATOM 1466 OG SER A 111 8.707 -11.336 5.916 1.00 0.00 O ATOM 0 H SER A 111 5.711 -12.022 4.480 1.00 0.00 H new ATOM 0 HA SER A 111 8.257 -11.064 3.313 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.877 -13.172 5.477 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.389 -12.824 4.662 1.00 0.00 H new ATOM 0 HG SER A 111 9.201 -11.694 6.683 1.00 0.00 H new ATOM 1472 N PHE A 112 8.343 -13.007 1.754 1.00 0.00 N ATOM 1473 CA PHE A 112 8.257 -14.022 0.716 1.00 0.00 C ATOM 1474 C PHE A 112 8.895 -15.322 1.191 1.00 0.00 C ATOM 1475 O PHE A 112 9.603 -15.341 2.199 1.00 0.00 O ATOM 1476 CB PHE A 112 8.951 -13.555 -0.567 1.00 0.00 C ATOM 1477 CG PHE A 112 8.492 -12.213 -1.069 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.145 -11.944 -1.256 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.412 -11.219 -1.355 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.727 -10.711 -1.721 1.00 0.00 C ATOM 1481 CE2 PHE A 112 9.001 -9.986 -1.821 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.658 -9.732 -2.003 1.00 0.00 C ATOM 0 H PHE A 112 9.115 -12.350 1.642 1.00 0.00 H new ATOM 0 HA PHE A 112 7.202 -14.192 0.503 1.00 0.00 H new ATOM 0 HB2 PHE A 112 10.026 -13.515 -0.390 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.784 -14.298 -1.347 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.413 -12.707 -1.036 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.465 -11.410 -1.212 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.675 -10.514 -1.863 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.731 -9.221 -2.043 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.335 -8.768 -2.366 1.00 0.00 H new ATOM 1492 N ASN A 113 8.647 -16.405 0.465 1.00 0.00 N ATOM 1493 CA ASN A 113 9.211 -17.705 0.821 1.00 0.00 C ATOM 1494 C ASN A 113 10.565 -17.896 0.155 1.00 0.00 C ATOM 1495 O ASN A 113 11.440 -18.542 0.767 1.00 0.00 O ATOM 1496 CB ASN A 113 8.264 -18.850 0.438 1.00 0.00 C ATOM 1497 CG ASN A 113 7.951 -18.896 -1.049 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.696 -19.477 -1.840 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.833 -18.305 -1.439 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.759 -17.378 -0.967 1.00 0.00 O ATOM 0 H ASN A 113 8.062 -16.411 -0.371 1.00 0.00 H new ATOM 0 HA ASN A 113 9.342 -17.726 1.903 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.710 -19.798 0.738 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.333 -18.745 0.996 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.564 -18.321 -2.423 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.240 -17.833 -0.756 1.00 0.00 H new