USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=27 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 36 GLN : amide:sc= -18.6! C(o=-23!,f=-24!) USER MOD Set 1.2: A 48 ASN : amide:sc= -4.69! C(o=-23!,f=-38!) USER MOD Set 2.1: A 27 GLN : amide:sc= -0.766 K(o=-2.2,f=-1.1) USER MOD Set 2.2: A 32 TYR OH : rot -30:sc= 0.742 USER MOD Set 2.3: A 103 ASN : amide:sc= -2.14! K(o=-2.2!,f=-1.1) USER MOD Single : A 1 ALA N :NH3+ -98:sc= 0.0759 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.44 USER MOD Single : A 8 THR OG1 : rot 180:sc= -3.12! USER MOD Single : A 10 SER OG : rot -49:sc= -5.46! USER MOD Single : A 11 SER OG : rot 40:sc= 1.04 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 86:sc= -0.356 USER MOD Single : A 20 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.137) USER MOD Single : A 30 THR OG1 : rot -150:sc= -0.566 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0288 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.0272 USER MOD Single : A 65 THR OG1 : rot 54:sc= -0.842 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 140:sc= -0.121 USER MOD Single : A 72 SER OG : rot 170:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0486 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0169 USER MOD Single : A 94 GLN : amide:sc= -0.0468 K(o=-0.047,f=-1.7!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot -170:sc= -3.95! USER MOD Single : A 113 ASN : amide:sc= -0.483 X(o=-0.48,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.359 13.590 -5.976 1.00 0.00 N ATOM 2 CA ALA A 1 1.032 13.856 -5.669 1.00 0.00 C ATOM 3 C ALA A 1 1.590 12.738 -4.799 1.00 0.00 C ATOM 4 O ALA A 1 0.844 12.078 -4.080 1.00 0.00 O ATOM 5 CB ALA A 1 1.148 15.202 -4.961 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.430 13.156 -6.918 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.753 12.941 -5.265 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.894 14.482 -5.965 1.00 0.00 H new ATOM 0 HA ALA A 1 1.611 13.896 -6.591 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.194 15.403 -4.730 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.762 15.989 -5.610 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.570 15.178 -4.037 1.00 0.00 H new ATOM 11 N ALA A 2 2.907 12.528 -4.867 1.00 0.00 N ATOM 12 CA ALA A 2 3.557 11.493 -4.088 1.00 0.00 C ATOM 13 C ALA A 2 4.930 11.972 -3.639 1.00 0.00 C ATOM 14 O ALA A 2 5.782 12.284 -4.467 1.00 0.00 O ATOM 15 CB ALA A 2 3.675 10.224 -4.928 1.00 0.00 C ATOM 0 H ALA A 2 3.539 13.068 -5.459 1.00 0.00 H new ATOM 0 HA ALA A 2 2.963 11.272 -3.201 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.164 9.445 -4.343 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.680 9.888 -5.221 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.265 10.432 -5.820 1.00 0.00 H new ATOM 21 N PRO A 3 5.142 12.029 -2.322 1.00 0.00 N ATOM 22 CA PRO A 3 6.383 12.457 -1.714 1.00 0.00 C ATOM 23 C PRO A 3 7.445 11.385 -1.910 1.00 0.00 C ATOM 24 O PRO A 3 7.210 10.394 -2.597 1.00 0.00 O ATOM 25 CB PRO A 3 6.053 12.636 -0.233 1.00 0.00 C ATOM 26 CG PRO A 3 4.942 11.611 -0.009 1.00 0.00 C ATOM 27 CD PRO A 3 4.162 11.669 -1.320 1.00 0.00 C ATOM 0 HA PRO A 3 6.774 13.376 -2.151 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.918 12.440 0.401 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.719 13.650 -0.012 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.342 10.615 0.180 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.317 11.871 0.846 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.700 10.708 -1.547 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.360 12.405 -1.270 1.00 0.00 H new ATOM 35 N THR A 4 8.618 11.584 -1.304 1.00 0.00 N ATOM 36 CA THR A 4 9.705 10.633 -1.419 1.00 0.00 C ATOM 37 C THR A 4 9.776 9.773 -0.165 1.00 0.00 C ATOM 38 O THR A 4 10.050 10.277 0.922 1.00 0.00 O ATOM 39 CB THR A 4 11.016 11.385 -1.634 1.00 0.00 C ATOM 40 OG1 THR A 4 12.083 10.464 -1.680 1.00 0.00 O ATOM 41 CG2 THR A 4 11.238 12.361 -0.482 1.00 0.00 C ATOM 0 H THR A 4 8.831 12.400 -0.730 1.00 0.00 H new ATOM 0 HA THR A 4 9.531 9.979 -2.273 1.00 0.00 H new ATOM 0 HB THR A 4 10.969 11.936 -2.573 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.925 10.946 -1.820 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.174 12.898 -0.635 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.413 13.073 -0.444 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.285 11.810 0.457 1.00 0.00 H new ATOM 49 N ALA A 5 9.529 8.471 -0.320 1.00 0.00 N ATOM 50 CA ALA A 5 9.565 7.548 0.797 1.00 0.00 C ATOM 51 C ALA A 5 10.435 6.349 0.447 1.00 0.00 C ATOM 52 O ALA A 5 10.758 6.133 -0.719 1.00 0.00 O ATOM 53 CB ALA A 5 8.144 7.105 1.135 1.00 0.00 C ATOM 0 H ALA A 5 9.302 8.038 -1.215 1.00 0.00 H new ATOM 0 HA ALA A 5 9.995 8.042 1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 5 8.169 6.411 1.975 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.545 7.976 1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.701 6.612 0.270 1.00 0.00 H new ATOM 59 N THR A 6 10.815 5.568 1.461 1.00 0.00 N ATOM 60 CA THR A 6 11.643 4.398 1.251 1.00 0.00 C ATOM 61 C THR A 6 10.975 3.173 1.859 1.00 0.00 C ATOM 62 O THR A 6 10.687 3.148 3.053 1.00 0.00 O ATOM 63 CB THR A 6 13.016 4.630 1.875 1.00 0.00 C ATOM 64 OG1 THR A 6 12.868 5.325 3.092 1.00 0.00 O ATOM 65 CG2 THR A 6 13.876 5.454 0.921 1.00 0.00 C ATOM 0 H THR A 6 10.557 5.733 2.434 1.00 0.00 H new ATOM 0 HA THR A 6 11.767 4.224 0.182 1.00 0.00 H new ATOM 0 HB THR A 6 13.497 3.670 2.061 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.750 5.473 3.494 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.857 5.620 1.367 1.00 0.00 H new ATOM 0 HG22 THR A 6 13.991 4.917 -0.021 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.395 6.414 0.735 1.00 0.00 H new ATOM 73 N VAL A 7 10.729 2.154 1.031 1.00 0.00 N ATOM 74 CA VAL A 7 10.098 0.933 1.489 1.00 0.00 C ATOM 75 C VAL A 7 11.039 -0.244 1.277 1.00 0.00 C ATOM 76 O VAL A 7 11.796 -0.270 0.309 1.00 0.00 O ATOM 77 CB VAL A 7 8.790 0.723 0.731 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.155 -0.595 1.166 1.00 0.00 C ATOM 79 CG2 VAL A 7 7.835 1.873 1.036 1.00 0.00 C ATOM 0 H VAL A 7 10.962 2.160 0.038 1.00 0.00 H new ATOM 0 HA VAL A 7 9.878 1.009 2.554 1.00 0.00 H new ATOM 0 HB VAL A 7 8.992 0.693 -0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.221 -0.745 0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.837 -1.417 0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.953 -0.566 2.237 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.901 1.723 0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.633 1.904 2.107 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.288 2.814 0.725 1.00 0.00 H new ATOM 89 N THR A 8 10.992 -1.221 2.186 1.00 0.00 N ATOM 90 CA THR A 8 11.840 -2.391 2.089 1.00 0.00 C ATOM 91 C THR A 8 11.391 -3.263 0.926 1.00 0.00 C ATOM 92 O THR A 8 10.276 -3.115 0.429 1.00 0.00 O ATOM 93 CB THR A 8 11.783 -3.169 3.401 1.00 0.00 C ATOM 94 OG1 THR A 8 13.087 -3.551 3.778 1.00 0.00 O ATOM 95 CG2 THR A 8 10.921 -4.415 3.217 1.00 0.00 C ATOM 0 H THR A 8 10.371 -1.216 2.995 1.00 0.00 H new ATOM 0 HA THR A 8 12.870 -2.083 1.907 1.00 0.00 H new ATOM 0 HB THR A 8 11.350 -2.539 4.178 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.051 -4.049 4.621 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.880 -4.971 4.154 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.913 -4.120 2.926 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.354 -5.045 2.440 1.00 0.00 H new ATOM 103 N PRO A 9 12.263 -4.176 0.492 1.00 0.00 N ATOM 104 CA PRO A 9 12.009 -5.092 -0.600 1.00 0.00 C ATOM 105 C PRO A 9 11.012 -6.153 -0.155 1.00 0.00 C ATOM 106 O PRO A 9 11.276 -6.901 0.783 1.00 0.00 O ATOM 107 CB PRO A 9 13.368 -5.715 -0.912 1.00 0.00 C ATOM 108 CG PRO A 9 14.071 -5.690 0.445 1.00 0.00 C ATOM 109 CD PRO A 9 13.581 -4.378 1.052 1.00 0.00 C ATOM 0 HA PRO A 9 11.583 -4.601 -1.475 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.269 -6.730 -1.298 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.914 -5.141 -1.661 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.797 -6.548 1.059 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.156 -5.707 0.340 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.543 -4.436 2.140 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.248 -3.553 0.800 1.00 0.00 H new ATOM 117 N SER A 10 9.863 -6.214 -0.831 1.00 0.00 N ATOM 118 CA SER A 10 8.835 -7.181 -0.502 1.00 0.00 C ATOM 119 C SER A 10 8.443 -7.964 -1.748 1.00 0.00 C ATOM 120 O SER A 10 7.423 -8.649 -1.758 1.00 0.00 O ATOM 121 CB SER A 10 7.626 -6.457 0.083 1.00 0.00 C ATOM 122 OG SER A 10 6.900 -7.343 0.906 1.00 0.00 O ATOM 0 H SER A 10 9.628 -5.600 -1.611 1.00 0.00 H new ATOM 0 HA SER A 10 9.216 -7.884 0.239 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.951 -5.592 0.660 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.989 -6.084 -0.719 1.00 0.00 H new ATOM 0 HG SER A 10 6.746 -8.184 0.426 1.00 0.00 H new ATOM 128 N SER A 11 9.259 -7.861 -2.799 1.00 0.00 N ATOM 129 CA SER A 11 8.995 -8.560 -4.041 1.00 0.00 C ATOM 130 C SER A 11 9.630 -9.943 -4.000 1.00 0.00 C ATOM 131 O SER A 11 10.846 -10.074 -4.116 1.00 0.00 O ATOM 132 CB SER A 11 9.547 -7.746 -5.209 1.00 0.00 C ATOM 133 OG SER A 11 10.956 -7.757 -5.164 1.00 0.00 O ATOM 0 H SER A 11 10.109 -7.296 -2.806 1.00 0.00 H new ATOM 0 HA SER A 11 7.920 -8.680 -4.174 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.199 -8.164 -6.154 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.179 -6.721 -5.159 1.00 0.00 H new ATOM 0 HG SER A 11 11.268 -8.650 -4.907 1.00 0.00 H new ATOM 139 N GLY A 12 8.802 -10.978 -3.836 1.00 0.00 N ATOM 140 CA GLY A 12 9.290 -12.341 -3.782 1.00 0.00 C ATOM 141 C GLY A 12 9.375 -12.815 -2.338 1.00 0.00 C ATOM 142 O GLY A 12 10.111 -13.750 -2.031 1.00 0.00 O ATOM 0 H GLY A 12 7.791 -10.888 -3.739 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.626 -12.995 -4.348 1.00 0.00 H new ATOM 0 HA3 GLY A 12 10.272 -12.402 -4.250 1.00 0.00 H new ATOM 146 N LEU A 13 8.620 -12.164 -1.450 1.00 0.00 N ATOM 147 CA LEU A 13 8.614 -12.519 -0.045 1.00 0.00 C ATOM 148 C LEU A 13 7.281 -13.157 0.321 1.00 0.00 C ATOM 149 O LEU A 13 6.231 -12.709 -0.134 1.00 0.00 O ATOM 150 CB LEU A 13 8.865 -11.271 0.796 1.00 0.00 C ATOM 151 CG LEU A 13 9.807 -10.334 0.046 1.00 0.00 C ATOM 152 CD1 LEU A 13 10.526 -9.430 1.043 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.833 -11.156 -0.728 1.00 0.00 C ATOM 0 H LEU A 13 8.005 -11.386 -1.689 1.00 0.00 H new ATOM 0 HA LEU A 13 9.406 -13.241 0.154 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.923 -10.765 1.006 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.299 -11.548 1.757 1.00 0.00 H new ATOM 0 HG LEU A 13 9.233 -9.722 -0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.199 -8.761 0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.793 -8.842 1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.100 -10.041 1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.506 -10.487 -1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.408 -11.768 -0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.319 -11.801 -1.441 1.00 0.00 H new ATOM 165 N SER A 14 7.325 -14.205 1.146 1.00 0.00 N ATOM 166 CA SER A 14 6.123 -14.896 1.568 1.00 0.00 C ATOM 167 C SER A 14 5.528 -14.201 2.784 1.00 0.00 C ATOM 168 O SER A 14 6.165 -13.334 3.380 1.00 0.00 O ATOM 169 CB SER A 14 6.458 -16.350 1.886 1.00 0.00 C ATOM 170 OG SER A 14 7.359 -16.847 0.921 1.00 0.00 O ATOM 0 H SER A 14 8.188 -14.589 1.532 1.00 0.00 H new ATOM 0 HA SER A 14 5.386 -14.874 0.765 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.897 -16.424 2.881 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.548 -16.951 1.893 1.00 0.00 H new ATOM 0 HG SER A 14 7.576 -17.780 1.126 1.00 0.00 H new ATOM 176 N ASP A 15 4.304 -14.584 3.153 1.00 0.00 N ATOM 177 CA ASP A 15 3.631 -13.997 4.294 1.00 0.00 C ATOM 178 C ASP A 15 4.600 -13.886 5.463 1.00 0.00 C ATOM 179 O ASP A 15 5.542 -14.669 5.566 1.00 0.00 O ATOM 180 CB ASP A 15 2.427 -14.856 4.670 1.00 0.00 C ATOM 181 CG ASP A 15 2.871 -16.189 5.255 1.00 0.00 C ATOM 182 OD1 ASP A 15 3.138 -17.103 4.445 1.00 0.00 O ATOM 183 OD2 ASP A 15 2.935 -16.270 6.501 1.00 0.00 O ATOM 0 H ASP A 15 3.764 -15.302 2.670 1.00 0.00 H new ATOM 0 HA ASP A 15 3.282 -12.996 4.040 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.808 -14.325 5.394 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.809 -15.029 3.789 1.00 0.00 H new ATOM 188 N GLY A 16 4.369 -12.910 6.344 1.00 0.00 N ATOM 189 CA GLY A 16 5.224 -12.707 7.496 1.00 0.00 C ATOM 190 C GLY A 16 6.226 -11.595 7.219 1.00 0.00 C ATOM 191 O GLY A 16 6.752 -10.984 8.147 1.00 0.00 O ATOM 0 H GLY A 16 3.593 -12.251 6.274 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.619 -12.453 8.366 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.752 -13.631 7.733 1.00 0.00 H new ATOM 195 N THR A 17 6.490 -11.333 5.937 1.00 0.00 N ATOM 196 CA THR A 17 7.426 -10.297 5.549 1.00 0.00 C ATOM 197 C THR A 17 6.906 -8.936 5.988 1.00 0.00 C ATOM 198 O THR A 17 5.710 -8.668 5.901 1.00 0.00 O ATOM 199 CB THR A 17 7.628 -10.335 4.037 1.00 0.00 C ATOM 200 OG1 THR A 17 8.292 -11.528 3.682 1.00 0.00 O ATOM 201 CG2 THR A 17 8.469 -9.137 3.605 1.00 0.00 C ATOM 0 H THR A 17 6.064 -11.830 5.155 1.00 0.00 H new ATOM 0 HA THR A 17 8.385 -10.470 6.037 1.00 0.00 H new ATOM 0 HB THR A 17 6.659 -10.296 3.540 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.635 -12.246 3.566 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.613 -9.164 2.525 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.957 -8.215 3.880 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.439 -9.175 4.102 1.00 0.00 H new ATOM 209 N VAL A 18 7.810 -8.076 6.463 1.00 0.00 N ATOM 210 CA VAL A 18 7.440 -6.749 6.913 1.00 0.00 C ATOM 211 C VAL A 18 8.115 -5.702 6.039 1.00 0.00 C ATOM 212 O VAL A 18 9.332 -5.539 6.090 1.00 0.00 O ATOM 213 CB VAL A 18 7.845 -6.577 8.374 1.00 0.00 C ATOM 214 CG1 VAL A 18 6.619 -6.749 9.266 1.00 0.00 C ATOM 215 CG2 VAL A 18 8.891 -7.628 8.738 1.00 0.00 C ATOM 0 H VAL A 18 8.805 -8.284 6.543 1.00 0.00 H new ATOM 0 HA VAL A 18 6.361 -6.620 6.832 1.00 0.00 H new ATOM 0 HB VAL A 18 8.263 -5.581 8.521 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.908 -6.626 10.310 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.872 -5.999 9.006 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.200 -7.745 9.120 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.181 -7.506 9.782 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.473 -8.624 8.592 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.767 -7.505 8.101 1.00 0.00 H new ATOM 225 N VAL A 19 7.321 -4.991 5.235 1.00 0.00 N ATOM 226 CA VAL A 19 7.844 -3.965 4.356 1.00 0.00 C ATOM 227 C VAL A 19 7.780 -2.611 5.049 1.00 0.00 C ATOM 228 O VAL A 19 6.700 -2.139 5.395 1.00 0.00 O ATOM 229 CB VAL A 19 7.038 -3.947 3.060 1.00 0.00 C ATOM 230 CG1 VAL A 19 6.543 -5.357 2.749 1.00 0.00 C ATOM 231 CG2 VAL A 19 5.843 -3.012 3.217 1.00 0.00 C ATOM 0 H VAL A 19 6.310 -5.115 5.181 1.00 0.00 H new ATOM 0 HA VAL A 19 8.886 -4.181 4.118 1.00 0.00 H new ATOM 0 HB VAL A 19 7.670 -3.595 2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.967 -5.345 1.824 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.396 -6.026 2.637 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.911 -5.709 3.565 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.267 -2.999 2.292 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.211 -3.363 4.033 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.196 -2.005 3.439 1.00 0.00 H new ATOM 241 N LYS A 20 8.943 -1.986 5.250 1.00 0.00 N ATOM 242 CA LYS A 20 9.011 -0.693 5.900 1.00 0.00 C ATOM 243 C LYS A 20 8.605 0.400 4.921 1.00 0.00 C ATOM 244 O LYS A 20 8.869 0.295 3.725 1.00 0.00 O ATOM 245 CB LYS A 20 10.428 -0.457 6.415 1.00 0.00 C ATOM 246 CG LYS A 20 10.368 0.262 7.759 1.00 0.00 C ATOM 247 CD LYS A 20 10.280 1.768 7.527 1.00 0.00 C ATOM 248 CE LYS A 20 11.392 2.468 8.302 1.00 0.00 C ATOM 249 NZ LYS A 20 12.497 2.851 7.410 1.00 0.00 N ATOM 0 H LYS A 20 9.848 -2.363 4.968 1.00 0.00 H new ATOM 0 HA LYS A 20 8.322 -0.671 6.745 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.950 -1.408 6.522 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.993 0.138 5.697 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.504 -0.080 8.328 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.253 0.025 8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.369 1.989 6.463 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.308 2.140 7.849 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.994 3.355 8.795 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.765 1.808 9.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.122 3.523 7.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 13.039 2.004 7.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.113 3.297 6.553 1.00 0.00 H new ATOM 263 N VAL A 21 7.961 1.452 5.433 1.00 0.00 N ATOM 264 CA VAL A 21 7.522 2.557 4.605 1.00 0.00 C ATOM 265 C VAL A 21 7.863 3.876 5.284 1.00 0.00 C ATOM 266 O VAL A 21 7.271 4.223 6.303 1.00 0.00 O ATOM 267 CB VAL A 21 6.019 2.445 4.364 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.764 2.085 2.903 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.439 1.358 5.265 1.00 0.00 C ATOM 0 H VAL A 21 7.735 1.553 6.423 1.00 0.00 H new ATOM 0 HA VAL A 21 8.034 2.523 3.643 1.00 0.00 H new ATOM 0 HB VAL A 21 5.542 3.398 4.592 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.691 2.005 2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.178 2.861 2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.241 1.132 2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.366 1.278 5.093 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.915 0.404 5.037 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.621 1.615 6.309 1.00 0.00 H new ATOM 279 N ALA A 22 8.821 4.611 4.715 1.00 0.00 N ATOM 280 CA ALA A 22 9.236 5.885 5.267 1.00 0.00 C ATOM 281 C ALA A 22 9.044 6.983 4.230 1.00 0.00 C ATOM 282 O ALA A 22 9.699 6.980 3.191 1.00 0.00 O ATOM 283 CB ALA A 22 10.697 5.800 5.699 1.00 0.00 C ATOM 0 H ALA A 22 9.321 4.337 3.869 1.00 0.00 H new ATOM 0 HA ALA A 22 8.626 6.124 6.138 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.010 6.758 6.114 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.808 5.023 6.455 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.318 5.558 4.836 1.00 0.00 H new ATOM 289 N GLY A 23 8.141 7.925 4.514 1.00 0.00 N ATOM 290 CA GLY A 23 7.871 9.020 3.604 1.00 0.00 C ATOM 291 C GLY A 23 8.863 10.152 3.831 1.00 0.00 C ATOM 292 O GLY A 23 9.252 10.421 4.965 1.00 0.00 O ATOM 0 H GLY A 23 7.588 7.944 5.371 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.937 8.670 2.574 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.854 9.383 3.753 1.00 0.00 H new ATOM 296 N ALA A 24 9.272 10.815 2.747 1.00 0.00 N ATOM 297 CA ALA A 24 10.216 11.911 2.832 1.00 0.00 C ATOM 298 C ALA A 24 9.763 13.052 1.932 1.00 0.00 C ATOM 299 O ALA A 24 9.801 12.933 0.709 1.00 0.00 O ATOM 300 CB ALA A 24 11.603 11.420 2.426 1.00 0.00 C ATOM 0 H ALA A 24 8.958 10.604 1.800 1.00 0.00 H new ATOM 0 HA ALA A 24 10.261 12.279 3.857 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.314 12.244 2.490 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.916 10.619 3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.572 11.046 1.403 1.00 0.00 H new ATOM 306 N GLY A 25 9.333 14.160 2.539 1.00 0.00 N ATOM 307 CA GLY A 25 8.876 15.311 1.786 1.00 0.00 C ATOM 308 C GLY A 25 7.355 15.340 1.737 1.00 0.00 C ATOM 309 O GLY A 25 6.772 15.927 0.829 1.00 0.00 O ATOM 0 H GLY A 25 9.295 14.277 3.552 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.249 16.226 2.245 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.279 15.275 0.774 1.00 0.00 H new ATOM 313 N LEU A 26 6.713 14.702 2.718 1.00 0.00 N ATOM 314 CA LEU A 26 5.266 14.657 2.783 1.00 0.00 C ATOM 315 C LEU A 26 4.745 15.860 3.556 1.00 0.00 C ATOM 316 O LEU A 26 5.517 16.736 3.939 1.00 0.00 O ATOM 317 CB LEU A 26 4.827 13.355 3.449 1.00 0.00 C ATOM 318 CG LEU A 26 5.816 12.247 3.099 1.00 0.00 C ATOM 319 CD1 LEU A 26 5.071 10.921 2.972 1.00 0.00 C ATOM 320 CD2 LEU A 26 6.500 12.575 1.775 1.00 0.00 C ATOM 0 H LEU A 26 7.183 14.210 3.478 1.00 0.00 H new ATOM 0 HA LEU A 26 4.853 14.692 1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.778 13.485 4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.826 13.083 3.115 1.00 0.00 H new ATOM 0 HG LEU A 26 6.566 12.168 3.886 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.777 10.129 2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.582 10.686 3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.320 10.999 2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.207 11.784 1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.750 12.654 0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.033 13.522 1.865 1.00 0.00 H new ATOM 332 N GLN A 27 3.431 15.900 3.786 1.00 0.00 N ATOM 333 CA GLN A 27 2.815 16.994 4.511 1.00 0.00 C ATOM 334 C GLN A 27 3.131 16.873 5.995 1.00 0.00 C ATOM 335 O GLN A 27 2.855 15.844 6.608 1.00 0.00 O ATOM 336 CB GLN A 27 1.307 16.973 4.275 1.00 0.00 C ATOM 337 CG GLN A 27 0.997 17.576 2.908 1.00 0.00 C ATOM 338 CD GLN A 27 -0.448 17.307 2.512 1.00 0.00 C ATOM 339 OE1 GLN A 27 -1.251 18.233 2.419 1.00 0.00 O ATOM 340 NE2 GLN A 27 -0.777 16.034 2.279 1.00 0.00 N ATOM 0 H GLN A 27 2.778 15.181 3.476 1.00 0.00 H new ATOM 0 HA GLN A 27 3.213 17.943 4.152 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.935 15.950 4.326 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.798 17.537 5.057 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.178 18.651 2.930 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.668 17.155 2.159 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.074 15.301 2.370 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.732 15.795 2.010 1.00 0.00 H new ATOM 349 N ALA A 28 3.710 17.929 6.571 1.00 0.00 N ATOM 350 CA ALA A 28 4.061 17.936 7.977 1.00 0.00 C ATOM 351 C ALA A 28 2.799 18.047 8.822 1.00 0.00 C ATOM 352 O ALA A 28 1.982 18.938 8.606 1.00 0.00 O ATOM 353 CB ALA A 28 5.005 19.101 8.259 1.00 0.00 C ATOM 0 H ALA A 28 3.943 18.790 6.076 1.00 0.00 H new ATOM 0 HA ALA A 28 4.567 17.006 8.235 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.270 19.107 9.316 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.909 18.990 7.659 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.512 20.039 8.003 1.00 0.00 H new ATOM 359 N GLY A 29 2.642 17.138 9.787 1.00 0.00 N ATOM 360 CA GLY A 29 1.481 17.143 10.655 1.00 0.00 C ATOM 361 C GLY A 29 0.276 16.565 9.926 1.00 0.00 C ATOM 362 O GLY A 29 -0.844 16.624 10.429 1.00 0.00 O ATOM 0 H GLY A 29 3.310 16.392 9.981 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.686 16.559 11.552 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.265 18.161 10.979 1.00 0.00 H new ATOM 366 N THR A 30 0.507 16.004 8.737 1.00 0.00 N ATOM 367 CA THR A 30 -0.560 15.420 7.950 1.00 0.00 C ATOM 368 C THR A 30 -0.611 13.916 8.181 1.00 0.00 C ATOM 369 O THR A 30 0.420 13.248 8.167 1.00 0.00 O ATOM 370 CB THR A 30 -0.332 15.733 6.474 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.120 16.842 6.102 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.725 14.523 5.631 1.00 0.00 C ATOM 0 H THR A 30 1.429 15.946 8.305 1.00 0.00 H new ATOM 0 HA THR A 30 -1.516 15.846 8.255 1.00 0.00 H new ATOM 0 HB THR A 30 0.720 15.964 6.309 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.363 16.768 5.155 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.562 14.746 4.577 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.116 13.666 5.919 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.778 14.292 5.795 1.00 0.00 H new ATOM 380 N ALA A 31 -1.817 13.385 8.393 1.00 0.00 N ATOM 381 CA ALA A 31 -1.998 11.967 8.626 1.00 0.00 C ATOM 382 C ALA A 31 -2.105 11.235 7.295 1.00 0.00 C ATOM 383 O ALA A 31 -2.538 11.813 6.300 1.00 0.00 O ATOM 384 CB ALA A 31 -3.252 11.746 9.466 1.00 0.00 C ATOM 0 H ALA A 31 -2.681 13.926 8.406 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.139 11.571 9.168 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.389 10.679 9.642 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.145 12.260 10.421 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.119 12.141 8.936 1.00 0.00 H new ATOM 390 N TYR A 32 -1.708 9.961 7.278 1.00 0.00 N ATOM 391 CA TYR A 32 -1.761 9.162 6.071 1.00 0.00 C ATOM 392 C TYR A 32 -2.294 7.773 6.393 1.00 0.00 C ATOM 393 O TYR A 32 -2.198 7.318 7.531 1.00 0.00 O ATOM 394 CB TYR A 32 -0.365 9.076 5.458 1.00 0.00 C ATOM 395 CG TYR A 32 0.079 10.355 4.789 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.367 10.660 3.497 1.00 0.00 C ATOM 397 CD2 TYR A 32 0.936 11.235 5.460 1.00 0.00 C ATOM 398 CE1 TYR A 32 0.045 11.845 2.877 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.348 12.420 4.839 1.00 0.00 C ATOM 400 CZ TYR A 32 0.903 12.725 3.548 1.00 0.00 C ATOM 401 OH TYR A 32 1.305 13.880 2.943 1.00 0.00 O ATOM 0 H TYR A 32 -1.346 9.467 8.094 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.433 9.629 5.351 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.350 8.816 6.238 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.347 8.268 4.727 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.029 9.981 2.979 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.279 11.000 6.457 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.299 12.081 1.881 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.010 13.099 5.357 1.00 0.00 H new ATOM 0 HH TYR A 32 1.337 13.747 1.973 1.00 0.00 H new ATOM 411 N ASP A 33 -2.858 7.100 5.387 1.00 0.00 N ATOM 412 CA ASP A 33 -3.403 5.770 5.569 1.00 0.00 C ATOM 413 C ASP A 33 -2.598 4.767 4.755 1.00 0.00 C ATOM 414 O ASP A 33 -2.586 4.829 3.528 1.00 0.00 O ATOM 415 CB ASP A 33 -4.869 5.760 5.144 1.00 0.00 C ATOM 416 CG ASP A 33 -5.287 4.376 4.666 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.740 3.591 5.527 1.00 0.00 O ATOM 418 OD2 ASP A 33 -5.145 4.129 3.449 1.00 0.00 O ATOM 0 H ASP A 33 -2.945 7.464 4.438 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.341 5.487 6.620 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.497 6.065 5.981 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.026 6.487 4.347 1.00 0.00 H new ATOM 423 N VAL A 34 -1.924 3.842 5.442 1.00 0.00 N ATOM 424 CA VAL A 34 -1.120 2.833 4.781 1.00 0.00 C ATOM 425 C VAL A 34 -1.904 1.532 4.686 1.00 0.00 C ATOM 426 O VAL A 34 -2.645 1.184 5.602 1.00 0.00 O ATOM 427 CB VAL A 34 0.177 2.628 5.557 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.276 2.175 4.600 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.588 3.942 6.217 1.00 0.00 C ATOM 0 H VAL A 34 -1.925 3.778 6.460 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.874 3.161 3.771 1.00 0.00 H new ATOM 0 HB VAL A 34 0.026 1.868 6.323 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.203 2.028 5.154 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.983 1.237 4.128 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.428 2.935 3.834 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.515 3.796 6.772 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.739 4.702 5.451 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.197 4.267 6.900 1.00 0.00 H new ATOM 439 N GLY A 35 -1.738 0.811 3.574 1.00 0.00 N ATOM 440 CA GLY A 35 -2.432 -0.445 3.372 1.00 0.00 C ATOM 441 C GLY A 35 -1.854 -1.179 2.169 1.00 0.00 C ATOM 442 O GLY A 35 -1.154 -0.583 1.354 1.00 0.00 O ATOM 0 H GLY A 35 -1.127 1.083 2.804 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.342 -1.066 4.263 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.495 -0.261 3.218 1.00 0.00 H new ATOM 446 N GLN A 36 -2.150 -2.476 2.062 1.00 0.00 N ATOM 447 CA GLN A 36 -1.659 -3.283 0.962 1.00 0.00 C ATOM 448 C GLN A 36 -2.793 -3.577 -0.009 1.00 0.00 C ATOM 449 O GLN A 36 -3.756 -4.254 0.345 1.00 0.00 O ATOM 450 CB GLN A 36 -1.065 -4.578 1.510 1.00 0.00 C ATOM 451 CG GLN A 36 -1.195 -5.680 0.462 1.00 0.00 C ATOM 452 CD GLN A 36 -0.752 -7.021 1.028 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.517 -7.689 1.720 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.490 -7.415 0.733 1.00 0.00 N ATOM 0 H GLN A 36 -2.730 -2.984 2.730 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.881 -2.740 0.425 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.017 -4.429 1.769 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.581 -4.869 2.425 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.229 -5.747 0.125 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.591 -5.431 -0.410 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.088 -6.825 0.154 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.840 -8.305 1.087 1.00 0.00 H new ATOM 463 N CYS A 37 -2.677 -3.067 -1.237 1.00 0.00 N ATOM 464 CA CYS A 37 -3.689 -3.277 -2.252 1.00 0.00 C ATOM 465 C CYS A 37 -3.172 -4.252 -3.300 1.00 0.00 C ATOM 466 O CYS A 37 -1.984 -4.565 -3.327 1.00 0.00 O ATOM 467 CB CYS A 37 -4.054 -1.940 -2.891 1.00 0.00 C ATOM 468 SG CYS A 37 -4.938 -0.813 -1.784 1.00 0.00 S ATOM 0 H CYS A 37 -1.884 -2.504 -1.545 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.583 -3.703 -1.797 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.142 -1.453 -3.236 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.669 -2.125 -3.771 1.00 0.00 H new ATOM 473 N ALA A 38 -4.069 -4.733 -4.165 1.00 0.00 N ATOM 474 CA ALA A 38 -3.700 -5.669 -5.208 1.00 0.00 C ATOM 475 C ALA A 38 -4.668 -5.547 -6.376 1.00 0.00 C ATOM 476 O ALA A 38 -5.880 -5.633 -6.192 1.00 0.00 O ATOM 477 CB ALA A 38 -3.710 -7.087 -4.643 1.00 0.00 C ATOM 0 H ALA A 38 -5.058 -4.483 -4.156 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.697 -5.442 -5.569 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.433 -7.793 -5.426 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.996 -7.157 -3.822 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.708 -7.326 -4.277 1.00 0.00 H new ATOM 483 N TRP A 39 -4.131 -5.345 -7.581 1.00 0.00 N ATOM 484 CA TRP A 39 -4.952 -5.214 -8.768 1.00 0.00 C ATOM 485 C TRP A 39 -5.671 -6.526 -9.048 1.00 0.00 C ATOM 486 O TRP A 39 -5.034 -7.565 -9.204 1.00 0.00 O ATOM 487 CB TRP A 39 -4.074 -4.815 -9.951 1.00 0.00 C ATOM 488 CG TRP A 39 -4.495 -5.385 -11.268 1.00 0.00 C ATOM 489 CD1 TRP A 39 -5.770 -5.628 -11.641 1.00 0.00 C ATOM 490 CD2 TRP A 39 -3.665 -5.791 -12.398 1.00 0.00 C ATOM 491 NE1 TRP A 39 -5.786 -6.153 -12.916 1.00 0.00 N ATOM 492 CE2 TRP A 39 -4.512 -6.276 -13.431 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.282 -5.801 -12.655 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -4.017 -6.743 -14.651 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -1.775 -6.268 -13.877 1.00 0.00 C ATOM 496 CH2 TRP A 39 -2.637 -6.739 -14.874 1.00 0.00 C ATOM 0 H TRP A 39 -3.128 -5.270 -7.752 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.703 -4.439 -8.611 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.066 -3.728 -10.028 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.050 -5.128 -9.747 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.643 -5.440 -11.034 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -6.635 -6.418 -13.416 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.599 -5.443 -11.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -4.693 -7.103 -15.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -0.709 -6.264 -14.050 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.238 -7.098 -15.811 1.00 0.00 H new ATOM 507 N VAL A 40 -7.004 -6.476 -9.112 1.00 0.00 N ATOM 508 CA VAL A 40 -7.802 -7.656 -9.372 1.00 0.00 C ATOM 509 C VAL A 40 -8.298 -7.636 -10.811 1.00 0.00 C ATOM 510 O VAL A 40 -8.262 -8.655 -11.496 1.00 0.00 O ATOM 511 CB VAL A 40 -8.975 -7.701 -8.396 1.00 0.00 C ATOM 512 CG1 VAL A 40 -8.463 -8.047 -7.001 1.00 0.00 C ATOM 513 CG2 VAL A 40 -9.661 -6.339 -8.363 1.00 0.00 C ATOM 0 H VAL A 40 -7.547 -5.622 -8.985 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.194 -8.550 -9.230 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.688 -8.459 -8.719 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.300 -8.079 -6.304 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.973 -9.020 -7.024 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.750 -7.289 -6.677 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.499 -6.370 -7.666 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.948 -5.580 -8.040 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.027 -6.092 -9.360 1.00 0.00 H new ATOM 523 N ASP A 41 -8.761 -6.470 -11.268 1.00 0.00 N ATOM 524 CA ASP A 41 -9.261 -6.324 -12.620 1.00 0.00 C ATOM 525 C ASP A 41 -8.858 -4.965 -13.174 1.00 0.00 C ATOM 526 O ASP A 41 -8.334 -4.126 -12.444 1.00 0.00 O ATOM 527 CB ASP A 41 -10.779 -6.479 -12.620 1.00 0.00 C ATOM 528 CG ASP A 41 -11.209 -7.624 -13.526 1.00 0.00 C ATOM 529 OD1 ASP A 41 -10.736 -8.753 -13.277 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.002 -7.347 -14.452 1.00 0.00 O ATOM 0 H ASP A 41 -8.796 -5.615 -10.712 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.830 -7.097 -13.257 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.130 -6.662 -11.604 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.243 -5.551 -12.955 1.00 0.00 H new ATOM 535 N THR A 42 -9.103 -4.748 -14.468 1.00 0.00 N ATOM 536 CA THR A 42 -8.764 -3.492 -15.107 1.00 0.00 C ATOM 537 C THR A 42 -9.441 -2.340 -14.378 1.00 0.00 C ATOM 538 O THR A 42 -10.663 -2.218 -14.405 1.00 0.00 O ATOM 539 CB THR A 42 -9.195 -3.534 -16.570 1.00 0.00 C ATOM 540 OG1 THR A 42 -8.238 -4.246 -17.322 1.00 0.00 O ATOM 541 CG2 THR A 42 -9.308 -2.110 -17.108 1.00 0.00 C ATOM 0 H THR A 42 -9.536 -5.432 -15.088 1.00 0.00 H new ATOM 0 HA THR A 42 -7.686 -3.338 -15.063 1.00 0.00 H new ATOM 0 HB THR A 42 -10.162 -4.031 -16.650 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.515 -4.275 -18.261 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.616 -2.139 -18.153 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.048 -1.559 -16.527 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.341 -1.613 -17.028 1.00 0.00 H new ATOM 549 N GLY A 43 -8.642 -1.492 -13.726 1.00 0.00 N ATOM 550 CA GLY A 43 -9.170 -0.357 -12.996 1.00 0.00 C ATOM 551 C GLY A 43 -9.897 -0.828 -11.743 1.00 0.00 C ATOM 552 O GLY A 43 -10.498 -0.025 -11.033 1.00 0.00 O ATOM 0 H GLY A 43 -7.626 -1.578 -13.694 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.359 0.318 -12.722 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.853 0.207 -13.631 1.00 0.00 H new ATOM 556 N VAL A 44 -9.839 -2.134 -11.474 1.00 0.00 N ATOM 557 CA VAL A 44 -10.489 -2.705 -10.312 1.00 0.00 C ATOM 558 C VAL A 44 -9.450 -3.345 -9.403 1.00 0.00 C ATOM 559 O VAL A 44 -8.911 -4.402 -9.722 1.00 0.00 O ATOM 560 CB VAL A 44 -11.522 -3.734 -10.762 1.00 0.00 C ATOM 561 CG1 VAL A 44 -12.328 -4.208 -9.556 1.00 0.00 C ATOM 562 CG2 VAL A 44 -12.461 -3.098 -11.784 1.00 0.00 C ATOM 0 H VAL A 44 -9.344 -2.812 -12.054 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.998 -1.920 -9.752 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.014 -4.585 -11.215 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.066 -4.943 -9.878 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.658 -4.662 -8.826 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.837 -3.358 -9.102 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.199 -3.832 -12.106 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.969 -2.247 -11.331 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.886 -2.760 -12.646 1.00 0.00 H new ATOM 572 N LEU A 45 -9.170 -2.702 -8.267 1.00 0.00 N ATOM 573 CA LEU A 45 -8.200 -3.211 -7.319 1.00 0.00 C ATOM 574 C LEU A 45 -8.886 -3.530 -5.998 1.00 0.00 C ATOM 575 O LEU A 45 -9.996 -3.069 -5.745 1.00 0.00 O ATOM 576 CB LEU A 45 -7.096 -2.177 -7.118 1.00 0.00 C ATOM 577 CG LEU A 45 -7.550 -1.140 -6.094 1.00 0.00 C ATOM 578 CD1 LEU A 45 -7.357 -1.696 -4.686 1.00 0.00 C ATOM 579 CD2 LEU A 45 -6.723 0.132 -6.257 1.00 0.00 C ATOM 0 H LEU A 45 -9.608 -1.824 -7.988 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.756 -4.128 -7.705 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.183 -2.666 -6.777 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.862 -1.690 -8.065 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.604 -0.911 -6.252 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.681 -0.955 -3.955 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.948 -2.604 -4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.303 -1.926 -4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.047 0.873 -5.526 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.669 -0.097 -6.099 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.862 0.530 -7.262 1.00 0.00 H new ATOM 591 N ALA A 46 -8.220 -4.323 -5.155 1.00 0.00 N ATOM 592 CA ALA A 46 -8.767 -4.700 -3.867 1.00 0.00 C ATOM 593 C ALA A 46 -7.783 -4.341 -2.763 1.00 0.00 C ATOM 594 O ALA A 46 -6.572 -4.410 -2.963 1.00 0.00 O ATOM 595 CB ALA A 46 -9.065 -6.197 -3.861 1.00 0.00 C ATOM 0 H ALA A 46 -7.298 -4.713 -5.350 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.695 -4.157 -3.689 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.477 -6.482 -2.893 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.787 -6.427 -4.644 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.144 -6.752 -4.042 1.00 0.00 H new ATOM 601 N CYS A 47 -8.305 -3.958 -1.596 1.00 0.00 N ATOM 602 CA CYS A 47 -7.473 -3.591 -0.468 1.00 0.00 C ATOM 603 C CYS A 47 -7.686 -4.578 0.671 1.00 0.00 C ATOM 604 O CYS A 47 -8.755 -5.171 0.789 1.00 0.00 O ATOM 605 CB CYS A 47 -7.814 -2.171 -0.026 1.00 0.00 C ATOM 606 SG CYS A 47 -7.138 -0.883 -1.102 1.00 0.00 S ATOM 0 H CYS A 47 -9.307 -3.897 -1.415 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.423 -3.623 -0.759 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.898 -2.064 0.014 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.441 -2.017 0.986 1.00 0.00 H new ATOM 611 N ASN A 48 -6.663 -4.752 1.511 1.00 0.00 N ATOM 612 CA ASN A 48 -6.745 -5.664 2.634 1.00 0.00 C ATOM 613 C ASN A 48 -6.717 -4.883 3.940 1.00 0.00 C ATOM 614 O ASN A 48 -5.675 -4.364 4.334 1.00 0.00 O ATOM 615 CB ASN A 48 -5.584 -6.652 2.571 1.00 0.00 C ATOM 616 CG ASN A 48 -5.413 -7.375 3.899 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.379 -7.558 4.637 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.180 -7.788 4.202 1.00 0.00 N ATOM 0 H ASN A 48 -5.769 -4.268 1.427 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.682 -6.219 2.587 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.762 -7.378 1.778 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.665 -6.123 2.319 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.008 -8.279 5.079 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.410 -7.612 3.556 1.00 0.00 H new ATOM 625 N PRO A 49 -7.868 -4.801 4.613 1.00 0.00 N ATOM 626 CA PRO A 49 -8.030 -4.103 5.870 1.00 0.00 C ATOM 627 C PRO A 49 -7.355 -4.893 6.982 1.00 0.00 C ATOM 628 O PRO A 49 -7.367 -4.475 8.138 1.00 0.00 O ATOM 629 CB PRO A 49 -9.540 -4.034 6.087 1.00 0.00 C ATOM 630 CG PRO A 49 -10.041 -5.295 5.385 1.00 0.00 C ATOM 631 CD PRO A 49 -9.112 -5.399 4.178 1.00 0.00 C ATOM 0 HA PRO A 49 -7.580 -3.110 5.866 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.797 -4.032 7.146 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -9.970 -3.131 5.653 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.969 -6.172 6.028 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.085 -5.204 5.086 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.968 -6.437 3.879 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.523 -4.873 3.316 1.00 0.00 H new ATOM 639 N ALA A 50 -6.765 -6.038 6.631 1.00 0.00 N ATOM 640 CA ALA A 50 -6.091 -6.879 7.599 1.00 0.00 C ATOM 641 C ALA A 50 -4.630 -6.469 7.710 1.00 0.00 C ATOM 642 O ALA A 50 -3.930 -6.898 8.625 1.00 0.00 O ATOM 643 CB ALA A 50 -6.212 -8.340 7.173 1.00 0.00 C ATOM 0 H ALA A 50 -6.745 -6.398 5.677 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.556 -6.759 8.577 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.705 -8.974 7.900 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.265 -8.618 7.120 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.752 -8.473 6.194 1.00 0.00 H new ATOM 649 N ASP A 51 -4.169 -5.635 6.775 1.00 0.00 N ATOM 650 CA ASP A 51 -2.795 -5.174 6.772 1.00 0.00 C ATOM 651 C ASP A 51 -2.760 -3.663 6.591 1.00 0.00 C ATOM 652 O ASP A 51 -1.768 -3.116 6.115 1.00 0.00 O ATOM 653 CB ASP A 51 -2.028 -5.871 5.652 1.00 0.00 C ATOM 654 CG ASP A 51 -1.703 -7.309 6.029 1.00 0.00 C ATOM 655 OD1 ASP A 51 -2.105 -7.709 7.143 1.00 0.00 O ATOM 656 OD2 ASP A 51 -1.060 -7.983 5.195 1.00 0.00 O ATOM 0 H ASP A 51 -4.737 -5.269 6.011 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.323 -5.418 7.724 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.620 -5.856 4.737 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.106 -5.328 5.445 1.00 0.00 H new ATOM 661 N PHE A 52 -3.847 -2.988 6.974 1.00 0.00 N ATOM 662 CA PHE A 52 -3.932 -1.547 6.851 1.00 0.00 C ATOM 663 C PHE A 52 -3.539 -0.892 8.168 1.00 0.00 C ATOM 664 O PHE A 52 -4.193 -1.100 9.187 1.00 0.00 O ATOM 665 CB PHE A 52 -5.352 -1.154 6.455 1.00 0.00 C ATOM 666 CG PHE A 52 -6.142 -0.530 7.580 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.715 0.676 8.150 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.302 -1.155 8.052 1.00 0.00 C ATOM 669 CE1 PHE A 52 -6.448 1.256 9.192 1.00 0.00 C ATOM 670 CE2 PHE A 52 -8.035 -0.575 9.094 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.608 0.630 9.664 1.00 0.00 C ATOM 0 H PHE A 52 -4.678 -3.426 7.372 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.245 -1.203 6.078 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.307 -0.453 5.621 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.879 -2.039 6.099 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.820 1.158 7.786 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.632 -2.085 7.612 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.119 2.186 9.632 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.930 -1.057 9.458 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.174 1.077 10.468 1.00 0.00 H new ATOM 681 N SER A 53 -2.465 -0.099 8.145 1.00 0.00 N ATOM 682 CA SER A 53 -1.993 0.581 9.334 1.00 0.00 C ATOM 683 C SER A 53 -2.227 2.079 9.200 1.00 0.00 C ATOM 684 O SER A 53 -2.881 2.526 8.260 1.00 0.00 O ATOM 685 CB SER A 53 -0.510 0.282 9.535 1.00 0.00 C ATOM 686 OG SER A 53 -0.052 0.938 10.696 1.00 0.00 O ATOM 0 H SER A 53 -1.910 0.083 7.309 1.00 0.00 H new ATOM 0 HA SER A 53 -2.544 0.224 10.204 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.354 -0.793 9.626 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.060 0.615 8.667 1.00 0.00 H new ATOM 0 HG SER A 53 0.900 0.745 10.827 1.00 0.00 H new ATOM 692 N SER A 54 -1.690 2.855 10.144 1.00 0.00 N ATOM 693 CA SER A 54 -1.842 4.296 10.125 1.00 0.00 C ATOM 694 C SER A 54 -0.586 4.956 10.676 1.00 0.00 C ATOM 695 O SER A 54 0.161 4.338 11.433 1.00 0.00 O ATOM 696 CB SER A 54 -3.065 4.689 10.949 1.00 0.00 C ATOM 697 OG SER A 54 -2.695 4.825 12.303 1.00 0.00 O ATOM 0 H SER A 54 -1.146 2.500 10.930 1.00 0.00 H new ATOM 0 HA SER A 54 -1.986 4.636 9.099 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.481 5.626 10.579 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.843 3.933 10.848 1.00 0.00 H new ATOM 0 HG SER A 54 -3.480 5.079 12.833 1.00 0.00 H new ATOM 703 N VAL A 55 -0.354 6.214 10.296 1.00 0.00 N ATOM 704 CA VAL A 55 0.807 6.950 10.752 1.00 0.00 C ATOM 705 C VAL A 55 0.635 8.430 10.439 1.00 0.00 C ATOM 706 O VAL A 55 -0.066 8.789 9.495 1.00 0.00 O ATOM 707 CB VAL A 55 2.058 6.396 10.077 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.880 6.440 8.562 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.266 7.241 10.471 1.00 0.00 C ATOM 0 H VAL A 55 -0.964 6.739 9.670 1.00 0.00 H new ATOM 0 HA VAL A 55 0.913 6.837 11.831 1.00 0.00 H new ATOM 0 HB VAL A 55 2.216 5.366 10.395 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.773 6.044 8.079 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.017 5.837 8.279 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.722 7.471 8.244 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.160 6.845 9.989 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.108 8.272 10.153 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.394 7.211 11.553 1.00 0.00 H new ATOM 719 N THR A 56 1.276 9.290 11.234 1.00 0.00 N ATOM 720 CA THR A 56 1.189 10.722 11.033 1.00 0.00 C ATOM 721 C THR A 56 2.586 11.317 10.928 1.00 0.00 C ATOM 722 O THR A 56 3.451 11.026 11.751 1.00 0.00 O ATOM 723 CB THR A 56 0.419 11.351 12.191 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.841 10.729 12.310 1.00 0.00 O ATOM 725 CG2 THR A 56 0.228 12.841 11.925 1.00 0.00 C ATOM 0 H THR A 56 1.860 9.010 12.022 1.00 0.00 H new ATOM 0 HA THR A 56 0.658 10.930 10.104 1.00 0.00 H new ATOM 0 HB THR A 56 0.979 11.216 13.116 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.335 11.131 13.054 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.322 13.291 12.752 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.202 13.322 11.833 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.333 12.977 11.000 1.00 0.00 H new ATOM 733 N ALA A 57 2.803 12.154 9.911 1.00 0.00 N ATOM 734 CA ALA A 57 4.091 12.785 9.702 1.00 0.00 C ATOM 735 C ALA A 57 4.382 13.752 10.841 1.00 0.00 C ATOM 736 O ALA A 57 3.461 14.312 11.432 1.00 0.00 O ATOM 737 CB ALA A 57 4.089 13.513 8.361 1.00 0.00 C ATOM 0 H ALA A 57 2.095 12.406 9.221 1.00 0.00 H new ATOM 0 HA ALA A 57 4.874 12.027 9.687 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.057 13.988 8.203 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.900 12.799 7.560 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.308 14.273 8.361 1.00 0.00 H new ATOM 743 N ASP A 58 5.666 13.948 11.147 1.00 0.00 N ATOM 744 CA ASP A 58 6.070 14.844 12.212 1.00 0.00 C ATOM 745 C ASP A 58 6.293 16.242 11.652 1.00 0.00 C ATOM 746 O ASP A 58 5.938 16.518 10.508 1.00 0.00 O ATOM 747 CB ASP A 58 7.342 14.314 12.867 1.00 0.00 C ATOM 748 CG ASP A 58 8.498 14.299 11.876 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.264 14.728 10.726 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.593 13.859 12.288 1.00 0.00 O ATOM 0 H ASP A 58 6.441 13.492 10.665 1.00 0.00 H new ATOM 0 HA ASP A 58 5.285 14.897 12.966 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.601 14.936 13.724 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.169 13.306 13.245 1.00 0.00 H new ATOM 755 N ALA A 59 6.882 17.124 12.462 1.00 0.00 N ATOM 756 CA ALA A 59 7.147 18.486 12.045 1.00 0.00 C ATOM 757 C ALA A 59 8.086 18.485 10.847 1.00 0.00 C ATOM 758 O ALA A 59 8.055 19.403 10.030 1.00 0.00 O ATOM 759 CB ALA A 59 7.756 19.264 13.208 1.00 0.00 C ATOM 0 H ALA A 59 7.182 16.910 13.413 1.00 0.00 H new ATOM 0 HA ALA A 59 6.215 18.968 11.751 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.956 20.289 12.895 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.059 19.270 14.046 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.688 18.790 13.514 1.00 0.00 H new ATOM 765 N ASN A 60 8.923 17.450 10.743 1.00 0.00 N ATOM 766 CA ASN A 60 9.864 17.337 9.647 1.00 0.00 C ATOM 767 C ASN A 60 9.138 16.897 8.383 1.00 0.00 C ATOM 768 O ASN A 60 9.707 16.925 7.295 1.00 0.00 O ATOM 769 CB ASN A 60 10.956 16.338 10.017 1.00 0.00 C ATOM 770 CG ASN A 60 12.324 16.841 9.579 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.996 17.548 10.327 1.00 0.00 O ATOM 772 ND2 ASN A 60 12.736 16.474 8.363 1.00 0.00 N ATOM 0 H ASN A 60 8.961 16.680 11.411 1.00 0.00 H new ATOM 0 HA ASN A 60 10.324 18.307 9.458 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.953 16.172 11.094 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.750 15.377 9.546 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.645 16.782 8.018 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.142 15.886 7.779 1.00 0.00 H new ATOM 779 N GLY A 61 7.875 16.489 8.530 1.00 0.00 N ATOM 780 CA GLY A 61 7.082 16.047 7.400 1.00 0.00 C ATOM 781 C GLY A 61 7.441 14.615 7.031 1.00 0.00 C ATOM 782 O GLY A 61 7.008 14.109 5.998 1.00 0.00 O ATOM 0 H GLY A 61 7.387 16.459 9.425 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.022 16.112 7.644 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.254 16.704 6.547 1.00 0.00 H new ATOM 786 N SER A 62 8.236 13.960 7.881 1.00 0.00 N ATOM 787 CA SER A 62 8.648 12.592 7.641 1.00 0.00 C ATOM 788 C SER A 62 7.803 11.644 8.481 1.00 0.00 C ATOM 789 O SER A 62 7.539 11.914 9.651 1.00 0.00 O ATOM 790 CB SER A 62 10.128 12.440 7.979 1.00 0.00 C ATOM 791 OG SER A 62 10.330 12.726 9.345 1.00 0.00 O ATOM 0 H SER A 62 8.604 14.365 8.742 1.00 0.00 H new ATOM 0 HA SER A 62 8.502 12.343 6.590 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.461 11.426 7.756 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.724 13.114 7.363 1.00 0.00 H new ATOM 0 HG SER A 62 11.280 12.627 9.563 1.00 0.00 H new ATOM 797 N ALA A 63 7.380 10.529 7.881 1.00 0.00 N ATOM 798 CA ALA A 63 6.569 9.548 8.574 1.00 0.00 C ATOM 799 C ALA A 63 7.278 8.201 8.574 1.00 0.00 C ATOM 800 O ALA A 63 8.186 7.975 7.777 1.00 0.00 O ATOM 801 CB ALA A 63 5.208 9.442 7.893 1.00 0.00 C ATOM 0 H ALA A 63 7.591 10.290 6.912 1.00 0.00 H new ATOM 0 HA ALA A 63 6.420 9.858 9.608 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.597 8.704 8.413 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.710 10.411 7.922 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.343 9.135 6.856 1.00 0.00 H new ATOM 807 N SER A 64 6.862 7.306 9.473 1.00 0.00 N ATOM 808 CA SER A 64 7.458 5.989 9.570 1.00 0.00 C ATOM 809 C SER A 64 6.421 4.988 10.062 1.00 0.00 C ATOM 810 O SER A 64 5.743 5.231 11.058 1.00 0.00 O ATOM 811 CB SER A 64 8.652 6.041 10.519 1.00 0.00 C ATOM 812 OG SER A 64 8.287 5.488 11.764 1.00 0.00 O ATOM 0 H SER A 64 6.112 7.479 10.142 1.00 0.00 H new ATOM 0 HA SER A 64 7.805 5.669 8.587 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.491 5.489 10.096 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.982 7.072 10.649 1.00 0.00 H new ATOM 0 HG SER A 64 9.054 5.520 12.374 1.00 0.00 H new ATOM 818 N THR A 65 6.300 3.858 9.361 1.00 0.00 N ATOM 819 CA THR A 65 5.350 2.830 9.733 1.00 0.00 C ATOM 820 C THR A 65 5.732 1.509 9.082 1.00 0.00 C ATOM 821 O THR A 65 6.649 1.459 8.265 1.00 0.00 O ATOM 822 CB THR A 65 3.948 3.257 9.307 1.00 0.00 C ATOM 823 OG1 THR A 65 3.103 3.288 10.436 1.00 0.00 O ATOM 824 CG2 THR A 65 3.400 2.260 8.290 1.00 0.00 C ATOM 0 H THR A 65 6.853 3.640 8.532 1.00 0.00 H new ATOM 0 HA THR A 65 5.363 2.694 10.814 1.00 0.00 H new ATOM 0 HB THR A 65 3.991 4.249 8.857 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.503 3.854 11.129 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.399 2.564 7.985 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.053 2.234 7.417 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.357 1.268 8.740 1.00 0.00 H new ATOM 832 N SER A 66 5.026 0.436 9.445 1.00 0.00 N ATOM 833 CA SER A 66 5.293 -0.877 8.894 1.00 0.00 C ATOM 834 C SER A 66 4.045 -1.414 8.209 1.00 0.00 C ATOM 835 O SER A 66 2.951 -1.350 8.767 1.00 0.00 O ATOM 836 CB SER A 66 5.743 -1.814 10.011 1.00 0.00 C ATOM 837 OG SER A 66 5.553 -1.183 11.258 1.00 0.00 O ATOM 0 H SER A 66 4.263 0.460 10.122 1.00 0.00 H new ATOM 0 HA SER A 66 6.088 -0.809 8.152 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.175 -2.744 9.971 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.793 -2.076 9.880 1.00 0.00 H new ATOM 0 HG SER A 66 5.840 -1.785 11.976 1.00 0.00 H new ATOM 843 N LEU A 67 4.210 -1.946 6.995 1.00 0.00 N ATOM 844 CA LEU A 67 3.099 -2.492 6.241 1.00 0.00 C ATOM 845 C LEU A 67 3.318 -3.979 6.003 1.00 0.00 C ATOM 846 O LEU A 67 4.299 -4.372 5.375 1.00 0.00 O ATOM 847 CB LEU A 67 2.969 -1.746 4.917 1.00 0.00 C ATOM 848 CG LEU A 67 1.497 -1.664 4.522 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.032 -3.023 4.007 1.00 0.00 C ATOM 850 CD2 LEU A 67 0.666 -1.268 5.739 1.00 0.00 C ATOM 0 H LEU A 67 5.110 -2.006 6.519 1.00 0.00 H new ATOM 0 HA LEU A 67 2.175 -2.367 6.806 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.388 -0.744 5.009 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.537 -2.259 4.141 1.00 0.00 H new ATOM 0 HG LEU A 67 1.371 -0.917 3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.019 -2.965 3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.626 -3.305 3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.157 -3.771 4.790 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.386 -1.209 5.458 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.791 -2.015 6.523 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.998 -0.297 6.106 1.00 0.00 H new ATOM 862 N THR A 68 2.400 -4.808 6.506 1.00 0.00 N ATOM 863 CA THR A 68 2.500 -6.244 6.343 1.00 0.00 C ATOM 864 C THR A 68 2.043 -6.640 4.947 1.00 0.00 C ATOM 865 O THR A 68 1.082 -6.081 4.423 1.00 0.00 O ATOM 866 CB THR A 68 1.652 -6.936 7.406 1.00 0.00 C ATOM 867 OG1 THR A 68 1.241 -8.198 6.931 1.00 0.00 O ATOM 868 CG2 THR A 68 0.424 -6.084 7.712 1.00 0.00 C ATOM 0 H THR A 68 1.581 -4.500 7.029 1.00 0.00 H new ATOM 0 HA THR A 68 3.538 -6.555 6.465 1.00 0.00 H new ATOM 0 HB THR A 68 2.241 -7.063 8.314 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.292 -8.853 7.658 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.182 -6.578 8.471 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.741 -5.108 8.079 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.166 -5.956 6.804 1.00 0.00 H new ATOM 876 N VAL A 69 2.735 -7.610 4.344 1.00 0.00 N ATOM 877 CA VAL A 69 2.399 -8.077 3.014 1.00 0.00 C ATOM 878 C VAL A 69 1.911 -9.517 3.082 1.00 0.00 C ATOM 879 O VAL A 69 2.561 -10.366 3.688 1.00 0.00 O ATOM 880 CB VAL A 69 3.624 -7.962 2.111 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.889 -7.982 2.964 1.00 0.00 C ATOM 882 CG2 VAL A 69 3.648 -9.136 1.136 1.00 0.00 C ATOM 0 H VAL A 69 3.534 -8.084 4.766 1.00 0.00 H new ATOM 0 HA VAL A 69 1.600 -7.463 2.599 1.00 0.00 H new ATOM 0 HB VAL A 69 3.578 -7.027 1.553 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.764 -7.900 2.319 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.872 -7.144 3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.936 -8.917 3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.523 -9.055 0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.694 -10.071 1.694 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.744 -9.121 0.526 1.00 0.00 H new ATOM 892 N ARG A 70 0.764 -9.790 2.457 1.00 0.00 N ATOM 893 CA ARG A 70 0.195 -11.123 2.451 1.00 0.00 C ATOM 894 C ARG A 70 0.190 -11.674 1.032 1.00 0.00 C ATOM 895 O ARG A 70 0.176 -10.912 0.068 1.00 0.00 O ATOM 896 CB ARG A 70 -1.221 -11.073 3.016 1.00 0.00 C ATOM 897 CG ARG A 70 -1.193 -11.458 4.492 1.00 0.00 C ATOM 898 CD ARG A 70 0.027 -10.829 5.159 1.00 0.00 C ATOM 899 NE ARG A 70 -0.217 -10.589 6.582 1.00 0.00 N ATOM 900 CZ ARG A 70 -0.092 -11.546 7.511 1.00 0.00 C ATOM 901 NH1 ARG A 70 0.272 -12.785 7.152 1.00 0.00 N ATOM 902 NH2 ARG A 70 -0.331 -11.265 8.799 1.00 0.00 N ATOM 0 H ARG A 70 0.215 -9.097 1.949 1.00 0.00 H new ATOM 0 HA ARG A 70 0.798 -11.783 3.075 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.636 -10.072 2.898 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.869 -11.754 2.464 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.105 -11.120 4.984 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.158 -12.543 4.595 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.889 -11.485 5.040 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.271 -9.889 4.665 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.494 -9.653 6.879 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.454 -12.999 6.171 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.367 -13.514 7.859 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.608 -10.322 9.072 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.236 -11.994 9.506 1.00 0.00 H new ATOM 916 N ARG A 71 0.202 -13.003 0.906 1.00 0.00 N ATOM 917 CA ARG A 71 0.199 -13.648 -0.391 1.00 0.00 C ATOM 918 C ARG A 71 -1.196 -13.587 -0.995 1.00 0.00 C ATOM 919 O ARG A 71 -1.355 -13.694 -2.209 1.00 0.00 O ATOM 920 CB ARG A 71 0.659 -15.095 -0.239 1.00 0.00 C ATOM 921 CG ARG A 71 -0.263 -15.823 0.734 1.00 0.00 C ATOM 922 CD ARG A 71 -0.992 -16.946 0.002 1.00 0.00 C ATOM 923 NE ARG A 71 -1.857 -17.694 0.915 1.00 0.00 N ATOM 924 CZ ARG A 71 -2.873 -18.457 0.491 1.00 0.00 C ATOM 925 NH1 ARG A 71 -3.131 -18.561 -0.820 1.00 0.00 N ATOM 926 NH2 ARG A 71 -3.630 -19.118 1.377 1.00 0.00 N ATOM 0 H ARG A 71 0.214 -13.648 1.696 1.00 0.00 H new ATOM 0 HA ARG A 71 0.886 -13.130 -1.060 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.650 -15.594 -1.208 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.686 -15.125 0.125 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.315 -16.231 1.563 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.983 -15.125 1.160 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.588 -16.529 -0.809 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.266 -17.621 -0.451 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.679 -17.632 1.917 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.554 -18.059 -1.495 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.905 -19.142 -1.143 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.433 -19.040 2.375 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.404 -19.699 1.054 1.00 0.00 H new ATOM 940 N SER A 72 -2.210 -13.415 -0.143 1.00 0.00 N ATOM 941 CA SER A 72 -3.584 -13.339 -0.597 1.00 0.00 C ATOM 942 C SER A 72 -4.449 -12.698 0.479 1.00 0.00 C ATOM 943 O SER A 72 -4.143 -12.797 1.665 1.00 0.00 O ATOM 944 CB SER A 72 -4.086 -14.741 -0.931 1.00 0.00 C ATOM 945 OG SER A 72 -4.177 -15.501 0.253 1.00 0.00 O ATOM 0 H SER A 72 -2.095 -13.326 0.867 1.00 0.00 H new ATOM 0 HA SER A 72 -3.641 -12.723 -1.494 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.061 -14.684 -1.415 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.408 -15.224 -1.635 1.00 0.00 H new ATOM 0 HG SER A 72 -4.648 -16.340 0.068 1.00 0.00 H new ATOM 951 N PHE A 73 -5.533 -12.039 0.062 1.00 0.00 N ATOM 952 CA PHE A 73 -6.435 -11.389 0.991 1.00 0.00 C ATOM 953 C PHE A 73 -7.611 -10.788 0.235 1.00 0.00 C ATOM 954 O PHE A 73 -7.531 -10.573 -0.972 1.00 0.00 O ATOM 955 CB PHE A 73 -5.678 -10.309 1.760 1.00 0.00 C ATOM 956 CG PHE A 73 -4.704 -9.532 0.907 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.177 -8.572 0.005 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.330 -9.773 1.017 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.275 -7.852 -0.788 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.427 -9.053 0.225 1.00 0.00 C ATOM 961 CZ PHE A 73 -2.900 -8.093 -0.678 1.00 0.00 C ATOM 0 H PHE A 73 -5.800 -11.946 -0.918 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.822 -12.120 1.701 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.396 -9.617 2.200 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.137 -10.773 2.584 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.238 -8.387 -0.079 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.966 -10.514 1.713 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.640 -7.111 -1.484 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.366 -9.238 0.311 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.204 -7.538 -1.290 1.00 0.00 H new ATOM 971 N GLU A 74 -8.707 -10.518 0.948 1.00 0.00 N ATOM 972 CA GLU A 74 -9.890 -9.944 0.339 1.00 0.00 C ATOM 973 C GLU A 74 -9.562 -8.579 -0.249 1.00 0.00 C ATOM 974 O GLU A 74 -9.266 -7.639 0.486 1.00 0.00 O ATOM 975 CB GLU A 74 -10.995 -9.831 1.386 1.00 0.00 C ATOM 976 CG GLU A 74 -10.471 -9.064 2.597 1.00 0.00 C ATOM 977 CD GLU A 74 -10.914 -9.728 3.893 1.00 0.00 C ATOM 978 OE1 GLU A 74 -12.048 -9.427 4.326 1.00 0.00 O ATOM 979 OE2 GLU A 74 -10.111 -10.523 4.427 1.00 0.00 O ATOM 0 H GLU A 74 -8.791 -10.691 1.950 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.236 -10.589 -0.469 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.860 -9.319 0.964 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.328 -10.824 1.687 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.383 -9.018 2.561 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.834 -8.037 2.567 1.00 0.00 H new ATOM 986 N GLY A 75 -9.615 -8.471 -1.578 1.00 0.00 N ATOM 987 CA GLY A 75 -9.324 -7.222 -2.252 1.00 0.00 C ATOM 988 C GLY A 75 -10.481 -6.248 -2.082 1.00 0.00 C ATOM 989 O GLY A 75 -11.452 -6.296 -2.833 1.00 0.00 O ATOM 0 H GLY A 75 -9.858 -9.240 -2.202 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.411 -6.787 -1.847 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.147 -7.405 -3.312 1.00 0.00 H new ATOM 993 N PHE A 76 -10.375 -5.361 -1.089 1.00 0.00 N ATOM 994 CA PHE A 76 -11.411 -4.383 -0.826 1.00 0.00 C ATOM 995 C PHE A 76 -11.231 -3.181 -1.742 1.00 0.00 C ATOM 996 O PHE A 76 -10.401 -2.314 -1.476 1.00 0.00 O ATOM 997 CB PHE A 76 -11.351 -3.961 0.639 1.00 0.00 C ATOM 998 CG PHE A 76 -12.515 -4.465 1.460 1.00 0.00 C ATOM 999 CD1 PHE A 76 -13.770 -3.856 1.340 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.338 -5.537 2.342 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -14.848 -4.321 2.102 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.416 -6.002 3.104 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.672 -5.394 2.984 1.00 0.00 C ATOM 0 H PHE A 76 -9.576 -5.308 -0.457 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.389 -4.822 -1.024 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.422 -4.327 1.077 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.322 -2.873 0.694 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.906 -3.028 0.660 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.369 -6.006 2.435 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -15.816 -3.852 2.010 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.279 -6.830 3.784 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.504 -5.753 3.571 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.011 -3.129 -2.824 1.00 0.00 N ATOM 1014 CA LEU A 77 -11.935 -2.036 -3.772 1.00 0.00 C ATOM 1015 C LEU A 77 -12.090 -0.709 -3.043 1.00 0.00 C ATOM 1016 O LEU A 77 -12.842 -0.613 -2.076 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.022 -2.203 -4.829 1.00 0.00 C ATOM 1018 CG LEU A 77 -13.447 -0.830 -5.342 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -12.270 -0.165 -6.051 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -14.607 -0.989 -6.321 1.00 0.00 C ATOM 0 H LEU A 77 -12.704 -3.840 -3.059 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.963 -2.045 -4.266 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.652 -2.813 -5.653 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -13.879 -2.726 -4.405 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.763 -0.210 -4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.573 0.816 -6.418 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.441 -0.051 -5.352 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.954 -0.784 -6.890 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -14.911 -0.008 -6.688 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.292 -1.609 -7.161 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -15.448 -1.464 -5.815 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.375 0.318 -3.509 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.439 1.631 -2.900 1.00 0.00 C ATOM 1034 C PHE A 78 -12.891 2.029 -2.681 1.00 0.00 C ATOM 1035 O PHE A 78 -13.242 2.547 -1.624 1.00 0.00 O ATOM 1036 CB PHE A 78 -10.730 2.641 -3.798 1.00 0.00 C ATOM 1037 CG PHE A 78 -9.341 2.999 -3.324 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -8.359 2.007 -3.224 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -9.036 4.323 -2.987 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -7.071 2.339 -2.786 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -7.748 4.655 -2.550 1.00 0.00 C ATOM 1042 CZ PHE A 78 -6.766 3.663 -2.449 1.00 0.00 C ATOM 0 H PHE A 78 -10.746 0.256 -4.309 1.00 0.00 H new ATOM 0 HA PHE A 78 -10.940 1.612 -1.931 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.667 2.236 -4.808 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.331 3.549 -3.855 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -8.594 0.986 -3.485 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.794 5.088 -3.064 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.313 1.574 -2.708 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.512 5.677 -2.291 1.00 0.00 H new ATOM 0 HZ PHE A 78 -5.773 3.919 -2.111 1.00 0.00 H new ATOM 1052 N ASP A 79 -13.736 1.786 -3.686 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.144 2.120 -3.598 1.00 0.00 C ATOM 1054 C ASP A 79 -15.769 1.409 -2.407 1.00 0.00 C ATOM 1055 O ASP A 79 -16.856 1.773 -1.965 1.00 0.00 O ATOM 1056 CB ASP A 79 -15.842 1.720 -4.895 1.00 0.00 C ATOM 1057 CG ASP A 79 -15.105 2.278 -6.104 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -15.318 3.475 -6.395 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -14.343 1.497 -6.714 1.00 0.00 O ATOM 0 H ASP A 79 -13.460 1.357 -4.570 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.259 3.194 -3.455 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.893 0.633 -4.965 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.868 2.087 -4.888 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.079 0.391 -1.886 1.00 0.00 N ATOM 1065 CA GLY A 80 -15.574 -0.362 -0.751 1.00 0.00 C ATOM 1066 C GLY A 80 -16.344 -1.586 -1.225 1.00 0.00 C ATOM 1067 O GLY A 80 -17.239 -2.067 -0.532 1.00 0.00 O ATOM 0 H GLY A 80 -14.175 0.076 -2.239 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -14.741 -0.670 -0.119 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.220 0.269 -0.141 1.00 0.00 H new ATOM 1071 N THR A 81 -15.995 -2.092 -2.410 1.00 0.00 N ATOM 1072 CA THR A 81 -16.655 -3.256 -2.965 1.00 0.00 C ATOM 1073 C THR A 81 -15.749 -4.473 -2.845 1.00 0.00 C ATOM 1074 O THR A 81 -14.605 -4.445 -3.293 1.00 0.00 O ATOM 1075 CB THR A 81 -17.011 -2.989 -4.425 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.280 -2.380 -4.495 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.037 -4.308 -5.192 1.00 0.00 C ATOM 0 H THR A 81 -15.256 -1.706 -2.998 1.00 0.00 H new ATOM 0 HA THR A 81 -17.572 -3.456 -2.410 1.00 0.00 H new ATOM 0 HB THR A 81 -16.265 -2.327 -4.866 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.508 -2.207 -5.432 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.291 -4.118 -6.235 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.056 -4.780 -5.138 1.00 0.00 H new ATOM 0 HG23 THR A 81 -17.783 -4.970 -4.752 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.265 -5.544 -2.238 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.503 -6.764 -2.061 1.00 0.00 C ATOM 1087 C ARG A 82 -15.184 -7.374 -3.418 1.00 0.00 C ATOM 1088 O ARG A 82 -15.968 -8.157 -3.949 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.302 -7.741 -1.204 1.00 0.00 C ATOM 1090 CG ARG A 82 -15.515 -8.070 0.061 1.00 0.00 C ATOM 1091 CD ARG A 82 -16.226 -9.181 0.829 1.00 0.00 C ATOM 1092 NE ARG A 82 -16.342 -10.390 0.015 1.00 0.00 N ATOM 1093 CZ ARG A 82 -17.372 -10.611 -0.814 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -18.351 -9.703 -0.923 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -17.424 -11.740 -1.533 1.00 0.00 N ATOM 0 H ARG A 82 -17.212 -5.582 -1.862 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.564 -6.541 -1.555 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -17.267 -7.307 -0.942 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.505 -8.653 -1.766 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.503 -8.383 -0.198 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -15.424 -7.182 0.686 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -15.676 -9.405 1.743 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -17.218 -8.843 1.128 1.00 0.00 H new ATOM 0 HE ARG A 82 -15.608 -11.095 0.081 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -18.313 -8.843 -0.375 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -19.135 -9.871 -1.554 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -16.680 -12.432 -1.450 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -18.208 -11.907 -2.164 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.027 -7.014 -3.981 1.00 0.00 N ATOM 1110 CA TRP A 83 -13.614 -7.531 -5.270 1.00 0.00 C ATOM 1111 C TRP A 83 -13.452 -9.042 -5.195 1.00 0.00 C ATOM 1112 O TRP A 83 -13.811 -9.755 -6.129 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.306 -6.866 -5.687 1.00 0.00 C ATOM 1114 CG TRP A 83 -11.825 -7.228 -7.056 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -12.209 -6.625 -8.203 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -10.876 -8.265 -7.450 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -11.567 -7.215 -9.271 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -10.732 -8.235 -8.863 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -10.123 -9.230 -6.757 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -9.888 -9.110 -9.552 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -9.273 -10.114 -7.438 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -9.154 -10.057 -8.832 1.00 0.00 C ATOM 0 H TRP A 83 -13.365 -6.365 -3.556 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.376 -7.306 -6.017 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.433 -5.785 -5.636 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.534 -7.131 -4.964 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -12.911 -5.807 -8.272 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -11.694 -6.932 -10.243 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -10.201 -9.291 -5.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -9.804 -9.055 -10.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -8.705 -10.845 -6.882 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -8.498 -10.742 -9.349 1.00 0.00 H new ATOM 1133 N GLY A 84 -12.908 -9.531 -4.077 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.703 -10.953 -3.891 1.00 0.00 C ATOM 1135 C GLY A 84 -11.291 -11.221 -3.390 1.00 0.00 C ATOM 1136 O GLY A 84 -10.479 -10.304 -3.292 1.00 0.00 O ATOM 0 H GLY A 84 -12.604 -8.955 -3.292 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.429 -11.342 -3.178 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.868 -11.478 -4.832 1.00 0.00 H new ATOM 1140 N THR A 85 -10.998 -12.484 -3.071 1.00 0.00 N ATOM 1141 CA THR A 85 -9.687 -12.862 -2.584 1.00 0.00 C ATOM 1142 C THR A 85 -8.650 -12.667 -3.680 1.00 0.00 C ATOM 1143 O THR A 85 -8.579 -13.457 -4.620 1.00 0.00 O ATOM 1144 CB THR A 85 -9.717 -14.316 -2.121 1.00 0.00 C ATOM 1145 OG1 THR A 85 -11.016 -14.642 -1.680 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.728 -14.506 -0.974 1.00 0.00 C ATOM 0 H THR A 85 -11.659 -13.257 -3.145 1.00 0.00 H new ATOM 0 HA THR A 85 -9.414 -12.230 -1.739 1.00 0.00 H new ATOM 0 HB THR A 85 -9.440 -14.967 -2.950 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.036 -15.576 -1.384 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.749 -15.544 -0.643 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.724 -14.254 -1.314 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.004 -13.855 -0.144 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.843 -11.610 -3.558 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.815 -11.316 -4.536 1.00 0.00 C ATOM 1156 C VAL A 86 -5.592 -12.184 -4.275 1.00 0.00 C ATOM 1157 O VAL A 86 -5.285 -12.497 -3.127 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.453 -9.835 -4.462 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -5.172 -9.585 -5.253 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -7.587 -9.004 -5.055 1.00 0.00 C ATOM 0 H VAL A 86 -7.889 -10.946 -2.785 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.185 -11.537 -5.537 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.299 -9.550 -3.421 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.913 -8.528 -5.201 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.362 -10.179 -4.830 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.326 -9.870 -6.294 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.329 -7.946 -5.002 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.741 -9.289 -6.096 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.502 -9.183 -4.491 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.894 -12.573 -5.345 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.712 -13.402 -5.226 1.00 0.00 C ATOM 1172 C ASP A 87 -2.466 -12.558 -5.454 1.00 0.00 C ATOM 1173 O ASP A 87 -2.034 -12.381 -6.591 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.787 -14.541 -6.238 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.310 -15.814 -5.588 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -4.675 -15.732 -4.395 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -4.334 -16.844 -6.295 1.00 0.00 O ATOM 0 H ASP A 87 -5.136 -12.321 -6.303 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.660 -13.827 -4.224 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.438 -14.256 -7.064 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.799 -14.723 -6.660 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.890 -12.036 -4.369 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.699 -11.214 -4.455 1.00 0.00 C ATOM 1184 C CYS A 88 0.382 -11.955 -5.229 1.00 0.00 C ATOM 1185 O CYS A 88 1.305 -11.337 -5.755 1.00 0.00 O ATOM 1186 CB CYS A 88 -0.217 -10.868 -3.049 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.408 -9.121 -2.616 1.00 0.00 S ATOM 0 H CYS A 88 -2.237 -12.174 -3.420 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.928 -10.288 -4.983 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.767 -11.473 -2.328 1.00 0.00 H new ATOM 0 HB3 CYS A 88 0.834 -11.142 -2.959 1.00 0.00 H new ATOM 1192 N THR A 89 0.267 -13.283 -5.298 1.00 0.00 N ATOM 1193 CA THR A 89 1.235 -14.095 -6.007 1.00 0.00 C ATOM 1194 C THR A 89 0.822 -14.240 -7.465 1.00 0.00 C ATOM 1195 O THR A 89 1.479 -14.940 -8.233 1.00 0.00 O ATOM 1196 CB THR A 89 1.339 -15.462 -5.337 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.162 -16.198 -5.585 1.00 0.00 O ATOM 1198 CG2 THR A 89 1.517 -15.280 -3.832 1.00 0.00 C ATOM 0 H THR A 89 -0.492 -13.812 -4.868 1.00 0.00 H new ATOM 0 HA THR A 89 2.212 -13.612 -5.974 1.00 0.00 H new ATOM 0 HB THR A 89 2.196 -16.000 -5.742 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.229 -17.077 -5.156 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.591 -16.257 -3.354 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.427 -14.711 -3.639 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.660 -14.742 -3.427 1.00 0.00 H new ATOM 1206 N THR A 90 -0.270 -13.574 -7.846 1.00 0.00 N ATOM 1207 CA THR A 90 -0.760 -13.632 -9.208 1.00 0.00 C ATOM 1208 C THR A 90 -0.611 -12.271 -9.872 1.00 0.00 C ATOM 1209 O THR A 90 -0.472 -12.183 -11.091 1.00 0.00 O ATOM 1210 CB THR A 90 -2.221 -14.074 -9.204 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.289 -15.469 -9.006 1.00 0.00 O ATOM 1212 CG2 THR A 90 -2.865 -13.717 -10.540 1.00 0.00 C ATOM 0 H THR A 90 -0.827 -12.989 -7.223 1.00 0.00 H new ATOM 0 HA THR A 90 -0.175 -14.356 -9.776 1.00 0.00 H new ATOM 0 HB THR A 90 -2.752 -13.566 -8.399 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.227 -15.753 -9.002 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.908 -14.033 -10.537 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.813 -12.639 -10.693 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.335 -14.224 -11.346 1.00 0.00 H new ATOM 1220 N ALA A 91 -0.640 -11.207 -9.067 1.00 0.00 N ATOM 1221 CA ALA A 91 -0.509 -9.857 -9.578 1.00 0.00 C ATOM 1222 C ALA A 91 0.444 -9.063 -8.696 1.00 0.00 C ATOM 1223 O ALA A 91 0.894 -9.555 -7.664 1.00 0.00 O ATOM 1224 CB ALA A 91 -1.883 -9.196 -9.622 1.00 0.00 C ATOM 0 H ALA A 91 -0.754 -11.264 -8.055 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.101 -9.883 -10.588 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.786 -8.181 -10.006 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.542 -9.769 -10.274 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.304 -9.165 -8.617 1.00 0.00 H new ATOM 1230 N ALA A 92 0.751 -7.830 -9.106 1.00 0.00 N ATOM 1231 CA ALA A 92 1.649 -6.976 -8.355 1.00 0.00 C ATOM 1232 C ALA A 92 0.852 -6.126 -7.376 1.00 0.00 C ATOM 1233 O ALA A 92 -0.103 -5.457 -7.765 1.00 0.00 O ATOM 1234 CB ALA A 92 2.437 -6.094 -9.319 1.00 0.00 C ATOM 0 H ALA A 92 0.385 -7.407 -9.959 1.00 0.00 H new ATOM 0 HA ALA A 92 2.350 -7.588 -7.788 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.113 -5.451 -8.755 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.015 -6.722 -9.997 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.747 -5.478 -9.895 1.00 0.00 H new ATOM 1240 N CYS A 93 1.246 -6.154 -6.100 1.00 0.00 N ATOM 1241 CA CYS A 93 0.569 -5.389 -5.073 1.00 0.00 C ATOM 1242 C CYS A 93 1.416 -4.185 -4.685 1.00 0.00 C ATOM 1243 O CYS A 93 2.588 -4.107 -5.045 1.00 0.00 O ATOM 1244 CB CYS A 93 0.310 -6.281 -3.862 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.484 -7.857 -4.267 1.00 0.00 S ATOM 0 H CYS A 93 2.035 -6.704 -5.762 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.387 -5.029 -5.453 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.257 -6.481 -3.361 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.318 -5.741 -3.153 1.00 0.00 H new ATOM 1250 N GLN A 94 0.819 -3.245 -3.948 1.00 0.00 N ATOM 1251 CA GLN A 94 1.521 -2.053 -3.518 1.00 0.00 C ATOM 1252 C GLN A 94 0.869 -1.496 -2.260 1.00 0.00 C ATOM 1253 O GLN A 94 -0.354 -1.498 -2.138 1.00 0.00 O ATOM 1254 CB GLN A 94 1.499 -1.019 -4.640 1.00 0.00 C ATOM 1255 CG GLN A 94 0.674 0.189 -4.205 1.00 0.00 C ATOM 1256 CD GLN A 94 0.376 1.097 -5.389 1.00 0.00 C ATOM 1257 OE1 GLN A 94 0.399 0.654 -6.535 1.00 0.00 O ATOM 1258 NE2 GLN A 94 0.096 2.372 -5.109 1.00 0.00 N ATOM 0 H GLN A 94 -0.152 -3.295 -3.640 1.00 0.00 H new ATOM 0 HA GLN A 94 2.558 -2.300 -3.288 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.515 -0.710 -4.883 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.074 -1.456 -5.543 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.260 -0.147 -3.755 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.214 0.747 -3.440 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.089 2.692 -4.140 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -0.111 3.026 -5.864 1.00 0.00 H new ATOM 1267 N VAL A 95 1.691 -1.017 -1.322 1.00 0.00 N ATOM 1268 CA VAL A 95 1.193 -0.461 -0.081 1.00 0.00 C ATOM 1269 C VAL A 95 1.016 1.044 -0.226 1.00 0.00 C ATOM 1270 O VAL A 95 1.534 1.644 -1.165 1.00 0.00 O ATOM 1271 CB VAL A 95 2.168 -0.784 1.048 1.00 0.00 C ATOM 1272 CG1 VAL A 95 2.010 0.242 2.167 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.871 -2.179 1.592 1.00 0.00 C ATOM 0 H VAL A 95 2.707 -1.008 -1.408 1.00 0.00 H new ATOM 0 HA VAL A 95 0.224 -0.901 0.157 1.00 0.00 H new ATOM 0 HB VAL A 95 3.189 -0.751 0.667 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.706 0.011 2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.221 1.239 1.779 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.990 0.210 2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.567 -2.411 2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.850 -2.211 1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.984 -2.912 0.794 1.00 0.00 H new ATOM 1283 N GLY A 96 0.282 1.655 0.708 1.00 0.00 N ATOM 1284 CA GLY A 96 0.044 3.084 0.674 1.00 0.00 C ATOM 1285 C GLY A 96 -0.788 3.508 1.876 1.00 0.00 C ATOM 1286 O GLY A 96 -1.444 2.680 2.504 1.00 0.00 O ATOM 0 H GLY A 96 -0.154 1.174 1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.994 3.618 0.674 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.473 3.352 -0.248 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.758 4.804 2.196 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.507 5.332 3.319 1.00 0.00 C ATOM 1292 C LEU A 97 -2.350 6.516 2.867 1.00 0.00 C ATOM 1293 O LEU A 97 -1.834 7.455 2.266 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.540 5.749 4.424 1.00 0.00 C ATOM 1295 CG LEU A 97 0.333 6.898 3.929 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.461 7.949 5.028 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.717 6.367 3.568 1.00 0.00 C ATOM 0 H LEU A 97 -0.218 5.503 1.686 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.175 4.563 3.708 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.095 6.056 5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.083 4.903 4.715 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.124 7.348 3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.085 8.770 4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.528 8.329 5.285 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.918 7.500 5.910 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.341 7.188 3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.175 5.917 4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.625 5.617 2.783 1.00 0.00 H new ATOM 1309 N SER A 98 -3.653 6.468 3.157 1.00 0.00 N ATOM 1310 CA SER A 98 -4.558 7.535 2.781 1.00 0.00 C ATOM 1311 C SER A 98 -4.946 8.342 4.012 1.00 0.00 C ATOM 1312 O SER A 98 -4.976 7.812 5.120 1.00 0.00 O ATOM 1313 CB SER A 98 -5.794 6.940 2.112 1.00 0.00 C ATOM 1314 OG SER A 98 -5.463 6.510 0.811 1.00 0.00 O ATOM 0 H SER A 98 -4.097 5.695 3.653 1.00 0.00 H new ATOM 0 HA SER A 98 -4.065 8.203 2.075 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.170 6.102 2.699 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.591 7.683 2.069 1.00 0.00 H new ATOM 0 HG SER A 98 -6.256 6.126 0.382 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.245 9.628 3.814 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.629 10.500 4.906 1.00 0.00 C ATOM 1322 C ASP A 99 -7.103 10.861 4.783 1.00 0.00 C ATOM 1323 O ASP A 99 -7.853 10.184 4.084 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.761 11.754 4.884 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.392 12.838 4.022 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.558 12.574 2.811 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.697 13.909 4.589 1.00 0.00 O ATOM 0 H ASP A 99 -5.226 10.082 2.901 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.479 9.988 5.856 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.626 12.125 5.900 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.771 11.509 4.500 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.515 11.933 5.464 1.00 0.00 N ATOM 1333 CA ALA A 100 -8.894 12.377 5.428 1.00 0.00 C ATOM 1334 C ALA A 100 -9.232 12.897 4.038 1.00 0.00 C ATOM 1335 O ALA A 100 -10.252 12.522 3.463 1.00 0.00 O ATOM 1336 CB ALA A 100 -9.105 13.463 6.478 1.00 0.00 C ATOM 0 H ALA A 100 -6.904 12.506 6.047 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.556 11.540 5.652 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.142 13.798 6.452 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.878 13.063 7.466 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.446 14.306 6.267 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.372 13.764 3.498 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.584 14.331 2.181 1.00 0.00 C ATOM 1344 C ALA A 101 -8.459 13.243 1.125 1.00 0.00 C ATOM 1345 O ALA A 101 -9.012 13.367 0.035 1.00 0.00 O ATOM 1346 CB ALA A 101 -7.566 15.441 1.937 1.00 0.00 C ATOM 0 H ALA A 101 -7.522 14.084 3.961 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.586 14.755 2.120 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.724 15.868 0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.687 16.218 2.691 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.558 15.030 1.998 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.730 12.172 1.449 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.540 11.073 0.525 1.00 0.00 C ATOM 1354 C GLY A 102 -6.249 11.260 -0.259 1.00 0.00 C ATOM 1355 O GLY A 102 -6.257 11.235 -1.488 1.00 0.00 O ATOM 0 H GLY A 102 -7.264 12.051 2.349 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.508 10.131 1.072 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.385 11.015 -0.161 1.00 0.00 H new ATOM 1359 N ASN A 103 -5.137 11.449 0.455 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.847 11.639 -0.177 1.00 0.00 C ATOM 1361 C ASN A 103 -2.794 10.798 0.529 1.00 0.00 C ATOM 1362 O ASN A 103 -3.065 10.207 1.572 1.00 0.00 O ATOM 1363 CB ASN A 103 -3.475 13.119 -0.135 1.00 0.00 C ATOM 1364 CG ASN A 103 -2.551 13.413 1.038 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -1.485 13.999 0.859 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -2.962 13.006 2.241 1.00 0.00 N ATOM 0 H ASN A 103 -5.113 11.473 1.474 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.898 11.319 -1.218 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.987 13.402 -1.068 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.378 13.723 -0.052 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -2.383 13.178 3.063 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.855 12.523 2.338 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.588 10.745 -0.041 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.505 9.977 0.539 1.00 0.00 C ATOM 1375 C GLY A 104 0.790 10.234 -0.220 1.00 0.00 C ATOM 1376 O GLY A 104 0.803 10.982 -1.195 1.00 0.00 O ATOM 0 H GLY A 104 -1.345 11.229 -0.905 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.380 10.247 1.588 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.747 8.915 0.510 1.00 0.00 H new ATOM 1380 N PRO A 105 1.881 9.610 0.232 1.00 0.00 N ATOM 1381 CA PRO A 105 3.195 9.733 -0.362 1.00 0.00 C ATOM 1382 C PRO A 105 3.228 8.984 -1.687 1.00 0.00 C ATOM 1383 O PRO A 105 2.352 8.168 -1.963 1.00 0.00 O ATOM 1384 CB PRO A 105 4.143 9.096 0.651 1.00 0.00 C ATOM 1385 CG PRO A 105 3.264 8.039 1.319 1.00 0.00 C ATOM 1386 CD PRO A 105 1.901 8.724 1.375 1.00 0.00 C ATOM 0 HA PRO A 105 3.471 10.766 -0.574 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.013 8.652 0.167 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.516 9.825 1.370 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.230 7.116 0.740 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.628 7.779 2.313 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.091 7.996 1.325 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.775 9.277 2.306 1.00 0.00 H new ATOM 1394 N GLU A 106 4.242 9.266 -2.508 1.00 0.00 N ATOM 1395 CA GLU A 106 4.381 8.618 -3.797 1.00 0.00 C ATOM 1396 C GLU A 106 3.973 7.155 -3.690 1.00 0.00 C ATOM 1397 O GLU A 106 4.515 6.415 -2.872 1.00 0.00 O ATOM 1398 CB GLU A 106 5.825 8.742 -4.275 1.00 0.00 C ATOM 1399 CG GLU A 106 6.759 8.126 -3.237 1.00 0.00 C ATOM 1400 CD GLU A 106 8.214 8.417 -3.575 1.00 0.00 C ATOM 1401 OE1 GLU A 106 8.697 7.823 -4.564 1.00 0.00 O ATOM 1402 OE2 GLU A 106 8.817 9.228 -2.839 1.00 0.00 O ATOM 0 H GLU A 106 4.976 9.941 -2.295 1.00 0.00 H new ATOM 0 HA GLU A 106 3.728 9.103 -4.522 1.00 0.00 H new ATOM 0 HB2 GLU A 106 5.946 8.238 -5.234 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.079 9.790 -4.432 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.524 8.523 -2.250 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.600 7.049 -3.193 1.00 0.00 H new ATOM 1409 N GLY A 107 3.014 6.739 -4.520 1.00 0.00 N ATOM 1410 CA GLY A 107 2.542 5.368 -4.512 1.00 0.00 C ATOM 1411 C GLY A 107 3.697 4.415 -4.238 1.00 0.00 C ATOM 1412 O GLY A 107 4.845 4.722 -4.549 1.00 0.00 O ATOM 0 H GLY A 107 2.553 7.339 -5.204 1.00 0.00 H new ATOM 0 HA2 GLY A 107 1.772 5.246 -3.751 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.083 5.128 -5.471 1.00 0.00 H new ATOM 1416 N VAL A 108 3.388 3.254 -3.655 1.00 0.00 N ATOM 1417 CA VAL A 108 4.397 2.263 -3.342 1.00 0.00 C ATOM 1418 C VAL A 108 4.207 1.038 -4.225 1.00 0.00 C ATOM 1419 O VAL A 108 3.312 0.231 -3.985 1.00 0.00 O ATOM 1420 CB VAL A 108 4.300 1.887 -1.867 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.244 0.724 -1.574 1.00 0.00 C ATOM 1422 CG2 VAL A 108 4.691 3.087 -1.009 1.00 0.00 C ATOM 0 H VAL A 108 2.440 2.985 -3.393 1.00 0.00 H new ATOM 0 HA VAL A 108 5.388 2.674 -3.533 1.00 0.00 H new ATOM 0 HB VAL A 108 3.277 1.592 -1.635 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.174 0.456 -0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.965 -0.134 -2.186 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.267 1.019 -1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.622 2.819 0.045 1.00 0.00 H new ATOM 0 HG22 VAL A 108 5.714 3.383 -1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.017 3.918 -1.217 1.00 0.00 H new ATOM 1432 N ALA A 109 5.052 0.902 -5.250 1.00 0.00 N ATOM 1433 CA ALA A 109 4.972 -0.221 -6.162 1.00 0.00 C ATOM 1434 C ALA A 109 5.616 -1.446 -5.529 1.00 0.00 C ATOM 1435 O ALA A 109 6.734 -1.371 -5.024 1.00 0.00 O ATOM 1436 CB ALA A 109 5.667 0.139 -7.472 1.00 0.00 C ATOM 0 H ALA A 109 5.799 1.563 -5.462 1.00 0.00 H new ATOM 0 HA ALA A 109 3.927 -0.451 -6.371 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.608 -0.705 -8.159 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.177 1.005 -7.918 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.713 0.375 -7.276 1.00 0.00 H new ATOM 1442 N ILE A 110 4.907 -2.577 -5.557 1.00 0.00 N ATOM 1443 CA ILE A 110 5.410 -3.812 -4.989 1.00 0.00 C ATOM 1444 C ILE A 110 4.963 -4.991 -5.842 1.00 0.00 C ATOM 1445 O ILE A 110 4.237 -4.813 -6.818 1.00 0.00 O ATOM 1446 CB ILE A 110 4.903 -3.956 -3.557 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.384 -4.105 -3.567 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.287 -2.716 -2.754 1.00 0.00 C ATOM 1449 CD1 ILE A 110 2.966 -5.125 -2.512 1.00 0.00 C ATOM 0 H ILE A 110 3.978 -2.654 -5.972 1.00 0.00 H new ATOM 0 HA ILE A 110 6.500 -3.793 -4.974 1.00 0.00 H new ATOM 0 HB ILE A 110 5.352 -4.838 -3.100 1.00 0.00 H new ATOM 0 HG12 ILE A 110 2.912 -3.143 -3.365 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.046 -4.426 -4.552 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.925 -2.818 -1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 110 6.372 -2.609 -2.746 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.839 -1.834 -3.211 1.00 0.00 H new ATOM 0 HD11 ILE A 110 1.881 -5.232 -2.519 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.427 -6.088 -2.734 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.291 -4.785 -1.529 1.00 0.00 H new ATOM 1461 N SER A 111 5.399 -6.197 -5.472 1.00 0.00 N ATOM 1462 CA SER A 111 5.041 -7.396 -6.203 1.00 0.00 C ATOM 1463 C SER A 111 5.547 -8.625 -5.461 1.00 0.00 C ATOM 1464 O SER A 111 6.219 -8.503 -4.440 1.00 0.00 O ATOM 1465 CB SER A 111 5.633 -7.329 -7.608 1.00 0.00 C ATOM 1466 OG SER A 111 4.590 -7.254 -8.554 1.00 0.00 O ATOM 0 H SER A 111 6.002 -6.361 -4.666 1.00 0.00 H new ATOM 0 HA SER A 111 3.956 -7.468 -6.283 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.284 -6.460 -7.699 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.248 -8.209 -7.798 1.00 0.00 H new ATOM 0 HG SER A 111 4.957 -7.370 -9.455 1.00 0.00 H new ATOM 1472 N PHE A 112 5.224 -9.812 -5.979 1.00 0.00 N ATOM 1473 CA PHE A 112 5.649 -11.053 -5.364 1.00 0.00 C ATOM 1474 C PHE A 112 6.330 -11.937 -6.400 1.00 0.00 C ATOM 1475 O PHE A 112 5.720 -12.306 -7.401 1.00 0.00 O ATOM 1476 CB PHE A 112 4.438 -11.761 -4.761 1.00 0.00 C ATOM 1477 CG PHE A 112 3.602 -10.872 -3.872 1.00 0.00 C ATOM 1478 CD1 PHE A 112 2.945 -9.760 -4.413 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.481 -11.162 -2.508 1.00 0.00 C ATOM 1480 CE1 PHE A 112 2.168 -8.937 -3.589 1.00 0.00 C ATOM 1481 CE2 PHE A 112 2.703 -10.339 -1.684 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.047 -9.227 -2.224 1.00 0.00 C ATOM 0 H PHE A 112 4.668 -9.931 -6.826 1.00 0.00 H new ATOM 0 HA PHE A 112 6.365 -10.843 -4.569 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.813 -12.146 -5.567 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.779 -12.620 -4.184 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.038 -9.537 -5.466 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.987 -12.020 -2.091 1.00 0.00 H new ATOM 0 HE1 PHE A 112 1.662 -8.079 -4.006 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.609 -10.563 -0.632 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.447 -8.592 -1.588 1.00 0.00 H new ATOM 1492 N ASN A 113 7.598 -12.275 -6.158 1.00 0.00 N ATOM 1493 CA ASN A 113 8.352 -13.112 -7.069 1.00 0.00 C ATOM 1494 C ASN A 113 8.515 -12.406 -8.408 1.00 0.00 C ATOM 1495 O ASN A 113 9.406 -12.742 -9.185 1.00 0.00 O ATOM 1496 CB ASN A 113 7.631 -14.446 -7.246 1.00 0.00 C ATOM 1497 CG ASN A 113 7.367 -15.104 -5.899 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.212 -15.834 -5.387 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.191 -14.841 -5.325 1.00 0.00 N ATOM 0 H ASN A 113 8.118 -11.976 -5.333 1.00 0.00 H new ATOM 0 HA ASN A 113 9.344 -13.300 -6.658 1.00 0.00 H new ATOM 0 HB2 ASN A 113 6.688 -14.288 -7.769 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.232 -15.109 -7.868 1.00 0.00 H new ATOM 0 HD21 ASN A 113 5.961 -15.253 -4.421 1.00 0.00 H new ATOM 0 HD22 ASN A 113 5.522 -14.228 -5.791 1.00 0.00 H new TER 1506 ASN A 113