USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 406 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 NoAdj-H: A 20 HIS HD1 : A 20 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 45 HIS HD1 : A 45 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 48 HIS HD1 : A 48 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 13 LYS NZ :NH3+ -131:sc= 0.548 (180deg=0) USER MOD Set 1.2: A 16 HIS : no HD1:sc= -7.1! C(o=-6.6!,f=-6.8!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 25:sc= 0.451 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -56:sc= 0.261 USER MOD Single : A 12 GLN : amide:sc= -3.17! C(o=-3.2!,f=-5.3!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -5.21! C(o=-5.2!,f=-8.1!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -155:sc= 0.239 USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 49 HIS : no HD1:sc= -0.0353 X(o=-0.035,f=-0.00098) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.579 -18.514 -4.376 1.00 0.00 N ATOM 2 CA GLY A 1 0.503 -19.063 -3.035 1.00 0.00 C ATOM 3 C GLY A 1 1.871 -19.317 -2.434 1.00 0.00 C ATOM 4 O GLY A 1 2.218 -18.748 -1.400 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.382 -18.358 -4.742 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.091 -17.609 -4.352 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.082 -19.180 -4.996 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.050 -18.375 -2.395 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.059 -19.997 -3.059 1.00 0.00 H new ATOM 8 N SER A 2 2.649 -20.177 -3.083 1.00 0.00 N ATOM 9 CA SER A 2 3.986 -20.511 -2.604 1.00 0.00 C ATOM 10 C SER A 2 5.031 -19.587 -3.221 1.00 0.00 C ATOM 11 O SER A 2 5.863 -19.015 -2.517 1.00 0.00 O ATOM 12 CB SER A 2 4.319 -21.968 -2.931 1.00 0.00 C ATOM 13 OG SER A 2 5.295 -22.480 -2.041 1.00 0.00 O ATOM 0 H SER A 2 2.377 -20.655 -3.942 1.00 0.00 H new ATOM 0 HA SER A 2 4.002 -20.377 -1.522 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.414 -22.573 -2.871 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.683 -22.040 -3.956 1.00 0.00 H new ATOM 0 HG SER A 2 5.489 -23.413 -2.270 1.00 0.00 H new ATOM 19 N SER A 3 4.981 -19.446 -4.542 1.00 0.00 N ATOM 20 CA SER A 3 5.925 -18.595 -5.256 1.00 0.00 C ATOM 21 C SER A 3 5.935 -17.185 -4.672 1.00 0.00 C ATOM 22 O SER A 3 4.890 -16.549 -4.538 1.00 0.00 O ATOM 23 CB SER A 3 5.571 -18.540 -6.743 1.00 0.00 C ATOM 24 OG SER A 3 4.349 -17.853 -6.952 1.00 0.00 O ATOM 0 H SER A 3 4.297 -19.910 -5.139 1.00 0.00 H new ATOM 0 HA SER A 3 6.920 -19.024 -5.142 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.370 -18.042 -7.292 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.495 -19.552 -7.139 1.00 0.00 H new ATOM 0 HG SER A 3 4.191 -17.233 -6.209 1.00 0.00 H new ATOM 30 N GLY A 4 7.125 -16.703 -4.325 1.00 0.00 N ATOM 31 CA GLY A 4 7.250 -15.373 -3.759 1.00 0.00 C ATOM 32 C GLY A 4 8.222 -15.327 -2.597 1.00 0.00 C ATOM 33 O GLY A 4 9.175 -16.103 -2.545 1.00 0.00 O ATOM 0 H GLY A 4 8.004 -17.210 -4.426 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.581 -14.681 -4.534 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.271 -15.031 -3.424 1.00 0.00 H new ATOM 37 N SER A 5 7.981 -14.412 -1.662 1.00 0.00 N ATOM 38 CA SER A 5 8.845 -14.264 -0.497 1.00 0.00 C ATOM 39 C SER A 5 8.738 -15.481 0.417 1.00 0.00 C ATOM 40 O SER A 5 7.707 -15.707 1.050 1.00 0.00 O ATOM 41 CB SER A 5 8.480 -12.996 0.277 1.00 0.00 C ATOM 42 OG SER A 5 8.497 -11.859 -0.569 1.00 0.00 O ATOM 0 H SER A 5 7.195 -13.763 -1.689 1.00 0.00 H new ATOM 0 HA SER A 5 9.874 -14.184 -0.846 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.490 -13.109 0.720 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.182 -12.853 1.098 1.00 0.00 H new ATOM 0 HG SER A 5 8.259 -11.062 -0.051 1.00 0.00 H new ATOM 48 N SER A 6 9.812 -16.261 0.480 1.00 0.00 N ATOM 49 CA SER A 6 9.839 -17.458 1.314 1.00 0.00 C ATOM 50 C SER A 6 9.461 -17.125 2.754 1.00 0.00 C ATOM 51 O SER A 6 8.702 -17.853 3.392 1.00 0.00 O ATOM 52 CB SER A 6 11.227 -18.101 1.274 1.00 0.00 C ATOM 53 OG SER A 6 11.245 -19.319 1.999 1.00 0.00 O ATOM 0 H SER A 6 10.675 -16.086 -0.036 1.00 0.00 H new ATOM 0 HA SER A 6 9.108 -18.164 0.919 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.516 -18.285 0.239 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.962 -17.414 1.693 1.00 0.00 H new ATOM 0 HG SER A 6 12.142 -19.711 1.957 1.00 0.00 H new ATOM 59 N GLY A 7 9.999 -16.019 3.260 1.00 0.00 N ATOM 60 CA GLY A 7 9.707 -15.608 4.621 1.00 0.00 C ATOM 61 C GLY A 7 10.913 -15.008 5.316 1.00 0.00 C ATOM 62 O GLY A 7 12.049 -15.403 5.055 1.00 0.00 O ATOM 0 H GLY A 7 10.631 -15.401 2.752 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.897 -14.879 4.611 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.355 -16.469 5.190 1.00 0.00 H new ATOM 66 N SER A 8 10.666 -14.049 6.203 1.00 0.00 N ATOM 67 CA SER A 8 11.742 -13.389 6.934 1.00 0.00 C ATOM 68 C SER A 8 12.737 -12.747 5.973 1.00 0.00 C ATOM 69 O SER A 8 13.952 -12.888 6.111 1.00 0.00 O ATOM 70 CB SER A 8 12.462 -14.390 7.839 1.00 0.00 C ATOM 71 OG SER A 8 13.355 -13.731 8.720 1.00 0.00 O ATOM 0 H SER A 8 9.731 -13.712 6.433 1.00 0.00 H new ATOM 0 HA SER A 8 11.302 -12.605 7.550 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.730 -14.956 8.415 1.00 0.00 H new ATOM 0 HB3 SER A 8 13.011 -15.107 7.229 1.00 0.00 H new ATOM 0 HG SER A 8 13.985 -13.188 8.201 1.00 0.00 H new ATOM 77 N PRO A 9 12.211 -12.023 4.974 1.00 0.00 N ATOM 78 CA PRO A 9 13.035 -11.344 3.970 1.00 0.00 C ATOM 79 C PRO A 9 13.803 -10.162 4.552 1.00 0.00 C ATOM 80 O PRO A 9 14.833 -9.755 4.016 1.00 0.00 O ATOM 81 CB PRO A 9 12.012 -10.860 2.939 1.00 0.00 C ATOM 82 CG PRO A 9 10.739 -10.732 3.701 1.00 0.00 C ATOM 83 CD PRO A 9 10.772 -11.811 4.748 1.00 0.00 C ATOM 0 HA PRO A 9 13.798 -12.003 3.557 1.00 0.00 H new ATOM 0 HB2 PRO A 9 12.310 -9.907 2.503 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.912 -11.569 2.117 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.656 -9.746 4.159 1.00 0.00 H new ATOM 0 HG3 PRO A 9 9.877 -10.852 3.044 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.263 -11.501 5.661 1.00 0.00 H new ATOM 0 HD3 PRO A 9 10.281 -12.721 4.403 1.00 0.00 H new ATOM 91 N GLU A 10 13.295 -9.617 5.653 1.00 0.00 N ATOM 92 CA GLU A 10 13.934 -8.482 6.308 1.00 0.00 C ATOM 93 C GLU A 10 14.599 -7.566 5.283 1.00 0.00 C ATOM 94 O GLU A 10 15.625 -6.947 5.561 1.00 0.00 O ATOM 95 CB GLU A 10 14.971 -8.967 7.323 1.00 0.00 C ATOM 96 CG GLU A 10 16.115 -9.748 6.698 1.00 0.00 C ATOM 97 CD GLU A 10 17.215 -8.849 6.168 1.00 0.00 C ATOM 98 OE1 GLU A 10 17.666 -7.958 6.917 1.00 0.00 O ATOM 99 OE2 GLU A 10 17.625 -9.037 5.003 1.00 0.00 O ATOM 0 H GLU A 10 12.443 -9.943 6.110 1.00 0.00 H new ATOM 0 HA GLU A 10 13.163 -7.916 6.830 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.377 -8.106 7.854 1.00 0.00 H new ATOM 0 HB3 GLU A 10 14.476 -9.594 8.064 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.533 -10.429 7.440 1.00 0.00 H new ATOM 0 HG3 GLU A 10 15.729 -10.362 5.884 1.00 0.00 H new ATOM 106 N GLY A 11 14.005 -7.487 4.096 1.00 0.00 N ATOM 107 CA GLY A 11 14.553 -6.646 3.048 1.00 0.00 C ATOM 108 C GLY A 11 13.698 -5.424 2.779 1.00 0.00 C ATOM 109 O GLY A 11 13.153 -4.825 3.706 1.00 0.00 O ATOM 0 H GLY A 11 13.155 -7.990 3.842 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.557 -6.328 3.329 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.648 -7.228 2.131 1.00 0.00 H new ATOM 113 N GLN A 12 13.583 -5.051 1.509 1.00 0.00 N ATOM 114 CA GLN A 12 12.791 -3.890 1.122 1.00 0.00 C ATOM 115 C GLN A 12 11.320 -4.094 1.469 1.00 0.00 C ATOM 116 O GLN A 12 10.635 -4.914 0.857 1.00 0.00 O ATOM 117 CB GLN A 12 12.941 -3.619 -0.376 1.00 0.00 C ATOM 118 CG GLN A 12 12.631 -4.827 -1.246 1.00 0.00 C ATOM 119 CD GLN A 12 11.171 -4.896 -1.648 1.00 0.00 C ATOM 120 OE1 GLN A 12 10.459 -3.892 -1.622 1.00 0.00 O ATOM 121 NE2 GLN A 12 10.716 -6.086 -2.024 1.00 0.00 N ATOM 0 H GLN A 12 14.028 -5.536 0.730 1.00 0.00 H new ATOM 0 HA GLN A 12 13.161 -3.029 1.678 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.279 -2.800 -0.657 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.960 -3.289 -0.577 1.00 0.00 H new ATOM 0 HG2 GLN A 12 13.250 -4.793 -2.143 1.00 0.00 H new ATOM 0 HG3 GLN A 12 12.899 -5.736 -0.708 1.00 0.00 H new ATOM 0 HE21 GLN A 12 11.341 -6.892 -2.031 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.742 -6.194 -2.306 1.00 0.00 H new ATOM 130 N LYS A 13 10.840 -3.344 2.455 1.00 0.00 N ATOM 131 CA LYS A 13 9.450 -3.442 2.884 1.00 0.00 C ATOM 132 C LYS A 13 8.859 -2.058 3.131 1.00 0.00 C ATOM 133 O LYS A 13 9.155 -1.416 4.139 1.00 0.00 O ATOM 134 CB LYS A 13 9.345 -4.287 4.155 1.00 0.00 C ATOM 135 CG LYS A 13 9.427 -5.782 3.900 1.00 0.00 C ATOM 136 CD LYS A 13 8.269 -6.266 3.044 1.00 0.00 C ATOM 137 CE LYS A 13 7.917 -7.714 3.349 1.00 0.00 C ATOM 138 NZ LYS A 13 7.028 -8.300 2.308 1.00 0.00 N ATOM 0 H LYS A 13 11.394 -2.661 2.972 1.00 0.00 H new ATOM 0 HA LYS A 13 8.883 -3.924 2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.143 -3.999 4.839 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.402 -4.063 4.653 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.369 -6.016 3.405 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.425 -6.315 4.851 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.398 -5.634 3.218 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.529 -6.168 1.990 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.831 -8.303 3.419 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.426 -7.771 4.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.221 -8.770 2.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.680 -7.545 1.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.561 -8.995 1.747 1.00 0.00 H new ATOM 152 N VAL A 14 8.020 -1.604 2.206 1.00 0.00 N ATOM 153 CA VAL A 14 7.385 -0.297 2.325 1.00 0.00 C ATOM 154 C VAL A 14 5.866 -0.415 2.251 1.00 0.00 C ATOM 155 O VAL A 14 5.297 -0.568 1.171 1.00 0.00 O ATOM 156 CB VAL A 14 7.868 0.665 1.222 1.00 0.00 C ATOM 157 CG1 VAL A 14 7.883 -0.036 -0.128 1.00 0.00 C ATOM 158 CG2 VAL A 14 6.991 1.907 1.178 1.00 0.00 C ATOM 0 H VAL A 14 7.764 -2.122 1.366 1.00 0.00 H new ATOM 0 HA VAL A 14 7.669 0.105 3.298 1.00 0.00 H new ATOM 0 HB VAL A 14 8.887 0.976 1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.227 0.658 -0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.556 -0.892 -0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.877 -0.377 -0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.346 2.576 0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.961 1.618 0.970 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.037 2.419 2.139 1.00 0.00 H new ATOM 168 N ASP A 15 5.217 -0.342 3.408 1.00 0.00 N ATOM 169 CA ASP A 15 3.763 -0.439 3.475 1.00 0.00 C ATOM 170 C ASP A 15 3.274 -1.728 2.822 1.00 0.00 C ATOM 171 O ASP A 15 2.347 -1.712 2.011 1.00 0.00 O ATOM 172 CB ASP A 15 3.118 0.769 2.795 1.00 0.00 C ATOM 173 CG ASP A 15 3.283 2.043 3.600 1.00 0.00 C ATOM 174 OD1 ASP A 15 4.369 2.656 3.524 1.00 0.00 O ATOM 175 OD2 ASP A 15 2.327 2.428 4.305 1.00 0.00 O ATOM 0 H ASP A 15 5.674 -0.216 4.311 1.00 0.00 H new ATOM 0 HA ASP A 15 3.472 -0.452 4.525 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.561 0.906 1.808 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.056 0.573 2.644 1.00 0.00 H new ATOM 180 N HIS A 16 3.903 -2.843 3.179 1.00 0.00 N ATOM 181 CA HIS A 16 3.532 -4.141 2.627 1.00 0.00 C ATOM 182 C HIS A 16 2.418 -4.783 3.448 1.00 0.00 C ATOM 183 O HIS A 16 2.513 -4.882 4.672 1.00 0.00 O ATOM 184 CB HIS A 16 4.748 -5.067 2.583 1.00 0.00 C ATOM 185 CG HIS A 16 5.698 -4.756 1.468 1.00 0.00 C ATOM 186 ND1 HIS A 16 6.220 -5.722 0.633 1.00 0.00 N ATOM 187 CD2 HIS A 16 6.218 -3.579 1.050 1.00 0.00 C ATOM 188 CE1 HIS A 16 7.022 -5.152 -0.248 1.00 0.00 C ATOM 189 NE2 HIS A 16 7.038 -3.851 -0.017 1.00 0.00 N ATOM 0 H HIS A 16 4.672 -2.874 3.848 1.00 0.00 H new ATOM 0 HA HIS A 16 3.167 -3.985 1.612 1.00 0.00 H new ATOM 0 HB2 HIS A 16 5.280 -5.000 3.532 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.406 -6.097 2.481 1.00 0.00 H new ATOM 0 HD2 HIS A 16 6.024 -2.606 1.477 1.00 0.00 H new ATOM 0 HE1 HIS A 16 7.571 -5.662 -1.025 1.00 0.00 H new ATOM 0 HE2 HIS A 16 7.572 -3.161 -0.545 1.00 0.00 H new ATOM 198 N CYS A 17 1.362 -5.216 2.768 1.00 0.00 N ATOM 199 CA CYS A 17 0.229 -5.847 3.434 1.00 0.00 C ATOM 200 C CYS A 17 0.686 -7.032 4.280 1.00 0.00 C ATOM 201 O CYS A 17 1.309 -7.965 3.774 1.00 0.00 O ATOM 202 CB CYS A 17 -0.803 -6.309 2.403 1.00 0.00 C ATOM 203 SG CYS A 17 -2.388 -6.841 3.125 1.00 0.00 S ATOM 0 H CYS A 17 1.267 -5.141 1.755 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.230 -5.110 4.092 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.990 -5.495 1.702 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.382 -7.134 1.828 1.00 0.00 H new ATOM 208 N ALA A 18 0.371 -6.987 5.570 1.00 0.00 N ATOM 209 CA ALA A 18 0.747 -8.058 6.486 1.00 0.00 C ATOM 210 C ALA A 18 -0.030 -9.335 6.186 1.00 0.00 C ATOM 211 O ALA A 18 0.236 -10.386 6.769 1.00 0.00 O ATOM 212 CB ALA A 18 0.519 -7.624 7.926 1.00 0.00 C ATOM 0 H ALA A 18 -0.143 -6.221 6.005 1.00 0.00 H new ATOM 0 HA ALA A 18 1.807 -8.268 6.345 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.804 -8.433 8.599 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.124 -6.743 8.141 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.534 -7.385 8.071 1.00 0.00 H new ATOM 218 N ARG A 19 -0.992 -9.236 5.274 1.00 0.00 N ATOM 219 CA ARG A 19 -1.810 -10.383 4.899 1.00 0.00 C ATOM 220 C ARG A 19 -1.291 -11.024 3.616 1.00 0.00 C ATOM 221 O ARG A 19 -1.069 -12.234 3.559 1.00 0.00 O ATOM 222 CB ARG A 19 -3.268 -9.959 4.716 1.00 0.00 C ATOM 223 CG ARG A 19 -4.148 -11.045 4.119 1.00 0.00 C ATOM 224 CD ARG A 19 -5.610 -10.627 4.093 1.00 0.00 C ATOM 225 NE ARG A 19 -6.508 -11.778 4.054 1.00 0.00 N ATOM 226 CZ ARG A 19 -7.766 -11.743 4.481 1.00 0.00 C ATOM 227 NH1 ARG A 19 -8.271 -10.621 4.976 1.00 0.00 N ATOM 228 NH2 ARG A 19 -8.521 -12.832 4.413 1.00 0.00 N ATOM 0 H ARG A 19 -1.224 -8.373 4.781 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.751 -11.118 5.702 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.676 -9.664 5.683 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.304 -9.080 4.073 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.815 -11.269 3.106 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.041 -11.961 4.699 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.831 -10.025 4.974 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.791 -9.996 3.223 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.150 -12.656 3.679 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.694 -9.782 5.030 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.237 -10.597 5.303 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.136 -13.697 4.033 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.486 -12.805 4.741 1.00 0.00 H new ATOM 242 N HIS A 20 -1.099 -10.205 2.587 1.00 0.00 N ATOM 243 CA HIS A 20 -0.605 -10.692 1.303 1.00 0.00 C ATOM 244 C HIS A 20 0.898 -10.462 1.176 1.00 0.00 C ATOM 245 O HIS A 20 1.631 -11.329 0.702 1.00 0.00 O ATOM 246 CB HIS A 20 -1.338 -9.998 0.155 1.00 0.00 C ATOM 247 CG HIS A 20 -2.822 -10.195 0.185 1.00 0.00 C ATOM 248 ND1 HIS A 20 -3.703 -9.212 0.586 1.00 0.00 N ATOM 249 CD2 HIS A 20 -3.580 -11.268 -0.139 1.00 0.00 C ATOM 250 CE1 HIS A 20 -4.939 -9.674 0.508 1.00 0.00 C ATOM 251 NE2 HIS A 20 -4.891 -10.919 0.070 1.00 0.00 N ATOM 0 H HIS A 20 -1.278 -9.201 2.617 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.796 -11.764 1.251 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -1.121 -8.930 0.189 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -0.949 -10.372 -0.792 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -3.220 -12.222 -0.496 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -5.835 -9.127 0.760 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -5.697 -11.523 -0.087 1.00 0.00 H new ATOM 259 N GLY A 21 1.350 -9.287 1.603 1.00 0.00 N ATOM 260 CA GLY A 21 2.763 -8.964 1.528 1.00 0.00 C ATOM 261 C GLY A 21 3.102 -8.128 0.309 1.00 0.00 C ATOM 262 O GLY A 21 4.266 -8.030 -0.079 1.00 0.00 O ATOM 0 H GLY A 21 0.763 -8.553 1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.058 -8.425 2.428 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.343 -9.887 1.505 1.00 0.00 H new ATOM 266 N GLU A 22 2.084 -7.526 -0.296 1.00 0.00 N ATOM 267 CA GLU A 22 2.281 -6.697 -1.479 1.00 0.00 C ATOM 268 C GLU A 22 2.406 -5.225 -1.097 1.00 0.00 C ATOM 269 O GLU A 22 1.841 -4.780 -0.098 1.00 0.00 O ATOM 270 CB GLU A 22 1.121 -6.884 -2.459 1.00 0.00 C ATOM 271 CG GLU A 22 1.271 -8.102 -3.355 1.00 0.00 C ATOM 272 CD GLU A 22 1.885 -9.285 -2.632 1.00 0.00 C ATOM 273 OE1 GLU A 22 1.122 -10.086 -2.051 1.00 0.00 O ATOM 274 OE2 GLU A 22 3.127 -9.411 -2.647 1.00 0.00 O ATOM 0 H GLU A 22 1.115 -7.597 0.013 1.00 0.00 H new ATOM 0 HA GLU A 22 3.208 -7.010 -1.960 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.191 -6.970 -1.896 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.036 -5.994 -3.082 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.293 -8.386 -3.743 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.891 -7.843 -4.213 1.00 0.00 H new ATOM 281 N LYS A 23 3.152 -4.473 -1.900 1.00 0.00 N ATOM 282 CA LYS A 23 3.353 -3.051 -1.649 1.00 0.00 C ATOM 283 C LYS A 23 2.032 -2.293 -1.728 1.00 0.00 C ATOM 284 O LYS A 23 1.327 -2.357 -2.736 1.00 0.00 O ATOM 285 CB LYS A 23 4.348 -2.470 -2.656 1.00 0.00 C ATOM 286 CG LYS A 23 5.603 -3.308 -2.823 1.00 0.00 C ATOM 287 CD LYS A 23 6.404 -2.876 -4.040 1.00 0.00 C ATOM 288 CE LYS A 23 6.981 -1.480 -3.861 1.00 0.00 C ATOM 289 NZ LYS A 23 7.692 -1.012 -5.083 1.00 0.00 N ATOM 0 H LYS A 23 3.628 -4.825 -2.731 1.00 0.00 H new ATOM 0 HA LYS A 23 3.757 -2.938 -0.643 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.856 -2.370 -3.624 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.631 -1.467 -2.337 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.221 -3.221 -1.930 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.330 -4.359 -2.920 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.213 -3.585 -4.215 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.765 -2.896 -4.923 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.178 -0.784 -3.619 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.670 -1.478 -3.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.070 -0.057 -4.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.474 -1.662 -5.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.028 -0.990 -5.884 1.00 0.00 H new ATOM 303 N LEU A 24 1.703 -1.574 -0.660 1.00 0.00 N ATOM 304 CA LEU A 24 0.466 -0.801 -0.610 1.00 0.00 C ATOM 305 C LEU A 24 0.669 0.590 -1.202 1.00 0.00 C ATOM 306 O LEU A 24 1.253 1.468 -0.566 1.00 0.00 O ATOM 307 CB LEU A 24 -0.028 -0.686 0.834 1.00 0.00 C ATOM 308 CG LEU A 24 -0.292 -2.006 1.559 1.00 0.00 C ATOM 309 CD1 LEU A 24 -0.312 -1.793 3.065 1.00 0.00 C ATOM 310 CD2 LEU A 24 -1.602 -2.620 1.089 1.00 0.00 C ATOM 0 H LEU A 24 2.275 -1.510 0.182 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.284 -1.323 -1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.709 -0.122 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.949 -0.102 0.837 1.00 0.00 H new ATOM 0 HG LEU A 24 0.517 -2.697 1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.501 -2.743 3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.651 -1.398 3.389 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.100 -1.085 3.322 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.773 -3.559 1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.422 -1.932 1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.551 -2.810 0.017 1.00 0.00 H new ATOM 322 N LEU A 25 0.181 0.784 -2.422 1.00 0.00 N ATOM 323 CA LEU A 25 0.306 2.070 -3.100 1.00 0.00 C ATOM 324 C LEU A 25 -1.066 2.670 -3.387 1.00 0.00 C ATOM 325 O LEU A 25 -1.190 3.626 -4.154 1.00 0.00 O ATOM 326 CB LEU A 25 1.087 1.906 -4.406 1.00 0.00 C ATOM 327 CG LEU A 25 2.465 1.255 -4.287 1.00 0.00 C ATOM 328 CD1 LEU A 25 3.058 1.005 -5.664 1.00 0.00 C ATOM 329 CD2 LEU A 25 3.395 2.125 -3.454 1.00 0.00 C ATOM 0 H LEU A 25 -0.305 0.068 -2.962 1.00 0.00 H new ATOM 0 HA LEU A 25 0.848 2.749 -2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.485 1.312 -5.094 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.210 2.890 -4.858 1.00 0.00 H new ATOM 0 HG LEU A 25 2.350 0.295 -3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.039 0.541 -5.559 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.402 0.342 -6.228 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.159 1.952 -6.194 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.371 1.646 -3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.504 3.100 -3.929 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.977 2.253 -2.456 1.00 0.00 H new ATOM 341 N LEU A 26 -2.095 2.104 -2.765 1.00 0.00 N ATOM 342 CA LEU A 26 -3.460 2.585 -2.951 1.00 0.00 C ATOM 343 C LEU A 26 -4.106 2.921 -1.611 1.00 0.00 C ATOM 344 O LEU A 26 -3.867 2.248 -0.608 1.00 0.00 O ATOM 345 CB LEU A 26 -4.296 1.535 -3.684 1.00 0.00 C ATOM 346 CG LEU A 26 -3.694 0.979 -4.975 1.00 0.00 C ATOM 347 CD1 LEU A 26 -4.276 -0.390 -5.290 1.00 0.00 C ATOM 348 CD2 LEU A 26 -3.930 1.940 -6.131 1.00 0.00 C ATOM 0 H LEU A 26 -2.010 1.312 -2.128 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.420 3.493 -3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.476 0.703 -3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.267 1.971 -3.918 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.619 0.870 -4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.835 -0.769 -6.212 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.054 -1.076 -4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.356 -0.307 -5.411 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.495 1.528 -7.041 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.001 2.082 -6.273 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.463 2.899 -5.908 1.00 0.00 H new ATOM 360 N PHE A 27 -4.928 3.966 -1.602 1.00 0.00 N ATOM 361 CA PHE A 27 -5.611 4.391 -0.385 1.00 0.00 C ATOM 362 C PHE A 27 -7.125 4.316 -0.557 1.00 0.00 C ATOM 363 O PHE A 27 -7.718 5.107 -1.291 1.00 0.00 O ATOM 364 CB PHE A 27 -5.198 5.817 -0.015 1.00 0.00 C ATOM 365 CG PHE A 27 -5.726 6.268 1.316 1.00 0.00 C ATOM 366 CD1 PHE A 27 -7.017 6.757 1.434 1.00 0.00 C ATOM 367 CD2 PHE A 27 -4.932 6.202 2.450 1.00 0.00 C ATOM 368 CE1 PHE A 27 -7.507 7.173 2.658 1.00 0.00 C ATOM 369 CE2 PHE A 27 -5.417 6.615 3.677 1.00 0.00 C ATOM 370 CZ PHE A 27 -6.705 7.102 3.781 1.00 0.00 C ATOM 0 H PHE A 27 -5.137 4.534 -2.423 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.321 3.716 0.420 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.110 5.881 -0.006 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.551 6.501 -0.787 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.648 6.814 0.559 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.923 5.824 2.374 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.515 7.553 2.736 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.789 6.557 4.554 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.085 7.427 4.738 1.00 0.00 H new ATOM 380 N CYS A 28 -7.745 3.359 0.125 1.00 0.00 N ATOM 381 CA CYS A 28 -9.190 3.178 0.049 1.00 0.00 C ATOM 382 C CYS A 28 -9.920 4.354 0.691 1.00 0.00 C ATOM 383 O CYS A 28 -9.476 4.894 1.704 1.00 0.00 O ATOM 384 CB CYS A 28 -9.598 1.874 0.737 1.00 0.00 C ATOM 385 SG CYS A 28 -11.236 1.252 0.238 1.00 0.00 S ATOM 0 H CYS A 28 -7.269 2.696 0.737 1.00 0.00 H new ATOM 0 HA CYS A 28 -9.470 3.130 -1.003 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -8.850 1.112 0.520 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.593 2.028 1.816 1.00 0.00 H new ATOM 390 N GLN A 29 -11.041 4.745 0.093 1.00 0.00 N ATOM 391 CA GLN A 29 -11.831 5.858 0.606 1.00 0.00 C ATOM 392 C GLN A 29 -12.927 5.360 1.543 1.00 0.00 C ATOM 393 O GLN A 29 -13.195 5.970 2.577 1.00 0.00 O ATOM 394 CB GLN A 29 -12.451 6.646 -0.550 1.00 0.00 C ATOM 395 CG GLN A 29 -13.373 5.814 -1.428 1.00 0.00 C ATOM 396 CD GLN A 29 -14.816 5.859 -0.965 1.00 0.00 C ATOM 397 OE1 GLN A 29 -15.114 6.333 0.132 1.00 0.00 O ATOM 398 NE2 GLN A 29 -15.721 5.364 -1.801 1.00 0.00 N ATOM 0 H GLN A 29 -11.422 4.308 -0.746 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.167 6.514 1.169 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.011 7.489 -0.145 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.653 7.060 -1.166 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -13.313 6.174 -2.455 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.029 4.780 -1.433 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.429 4.981 -2.700 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.708 5.367 -1.544 1.00 0.00 H new ATOM 407 N GLU A 30 -13.556 4.249 1.173 1.00 0.00 N ATOM 408 CA GLU A 30 -14.624 3.671 1.981 1.00 0.00 C ATOM 409 C GLU A 30 -14.120 3.322 3.378 1.00 0.00 C ATOM 410 O GLU A 30 -14.808 3.553 4.373 1.00 0.00 O ATOM 411 CB GLU A 30 -15.187 2.420 1.303 1.00 0.00 C ATOM 412 CG GLU A 30 -15.995 2.718 0.051 1.00 0.00 C ATOM 413 CD GLU A 30 -17.450 3.021 0.355 1.00 0.00 C ATOM 414 OE1 GLU A 30 -17.714 4.030 1.042 1.00 0.00 O ATOM 415 OE2 GLU A 30 -18.323 2.250 -0.094 1.00 0.00 O ATOM 0 H GLU A 30 -13.345 3.731 0.320 1.00 0.00 H new ATOM 0 HA GLU A 30 -15.417 4.413 2.074 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.363 1.755 1.044 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -15.817 1.884 2.013 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.552 3.567 -0.470 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.939 1.865 -0.625 1.00 0.00 H new ATOM 422 N ASP A 31 -12.916 2.765 3.445 1.00 0.00 N ATOM 423 CA ASP A 31 -12.319 2.384 4.719 1.00 0.00 C ATOM 424 C ASP A 31 -11.326 3.441 5.191 1.00 0.00 C ATOM 425 O ASP A 31 -11.219 3.718 6.385 1.00 0.00 O ATOM 426 CB ASP A 31 -11.621 1.029 4.595 1.00 0.00 C ATOM 427 CG ASP A 31 -12.587 -0.092 4.265 1.00 0.00 C ATOM 428 OD1 ASP A 31 -12.820 -0.340 3.063 1.00 0.00 O ATOM 429 OD2 ASP A 31 -13.109 -0.722 5.208 1.00 0.00 O ATOM 0 H ASP A 31 -12.334 2.567 2.631 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.117 2.306 5.457 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.857 1.087 3.819 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.109 0.800 5.530 1.00 0.00 H new ATOM 434 N GLY A 32 -10.599 4.027 4.245 1.00 0.00 N ATOM 435 CA GLY A 32 -9.622 5.046 4.584 1.00 0.00 C ATOM 436 C GLY A 32 -8.284 4.456 4.983 1.00 0.00 C ATOM 437 O GLY A 32 -7.570 5.021 5.812 1.00 0.00 O ATOM 0 H GLY A 32 -10.669 3.815 3.250 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.483 5.710 3.731 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.006 5.655 5.403 1.00 0.00 H new ATOM 441 N LYS A 33 -7.942 3.316 4.393 1.00 0.00 N ATOM 442 CA LYS A 33 -6.681 2.647 4.691 1.00 0.00 C ATOM 443 C LYS A 33 -5.934 2.298 3.407 1.00 0.00 C ATOM 444 O LYS A 33 -6.488 2.385 2.311 1.00 0.00 O ATOM 445 CB LYS A 33 -6.933 1.378 5.508 1.00 0.00 C ATOM 446 CG LYS A 33 -7.847 0.381 4.818 1.00 0.00 C ATOM 447 CD LYS A 33 -7.489 -1.049 5.182 1.00 0.00 C ATOM 448 CE LYS A 33 -6.510 -1.650 4.185 1.00 0.00 C ATOM 449 NZ LYS A 33 -5.845 -2.868 4.726 1.00 0.00 N ATOM 0 H LYS A 33 -8.521 2.835 3.705 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.065 3.331 5.275 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.978 0.897 5.719 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.370 1.655 6.468 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.881 0.580 5.098 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.778 0.510 3.738 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.053 -1.073 6.181 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.395 -1.655 5.215 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.037 -1.902 3.265 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.754 -0.908 3.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.186 -3.248 4.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.321 -2.622 5.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.564 -3.586 4.950 1.00 0.00 H new ATOM 463 N VAL A 34 -4.674 1.901 3.551 1.00 0.00 N ATOM 464 CA VAL A 34 -3.852 1.536 2.403 1.00 0.00 C ATOM 465 C VAL A 34 -4.019 0.061 2.055 1.00 0.00 C ATOM 466 O VAL A 34 -3.662 -0.817 2.841 1.00 0.00 O ATOM 467 CB VAL A 34 -2.362 1.824 2.665 1.00 0.00 C ATOM 468 CG1 VAL A 34 -2.014 3.247 2.256 1.00 0.00 C ATOM 469 CG2 VAL A 34 -2.022 1.583 4.128 1.00 0.00 C ATOM 0 H VAL A 34 -4.200 1.824 4.451 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.190 2.145 1.565 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.766 1.141 2.060 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.957 3.433 2.448 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.219 3.381 1.194 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.616 3.949 2.833 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.965 1.791 4.295 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.625 2.240 4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.232 0.545 4.384 1.00 0.00 H new ATOM 479 N ILE A 35 -4.563 -0.204 0.872 1.00 0.00 N ATOM 480 CA ILE A 35 -4.776 -1.573 0.419 1.00 0.00 C ATOM 481 C ILE A 35 -3.822 -1.931 -0.716 1.00 0.00 C ATOM 482 O ILE A 35 -3.296 -1.052 -1.400 1.00 0.00 O ATOM 483 CB ILE A 35 -6.225 -1.790 -0.055 1.00 0.00 C ATOM 484 CG1 ILE A 35 -6.455 -1.094 -1.398 1.00 0.00 C ATOM 485 CG2 ILE A 35 -7.206 -1.278 0.988 1.00 0.00 C ATOM 486 CD1 ILE A 35 -7.765 -1.468 -2.056 1.00 0.00 C ATOM 0 H ILE A 35 -4.864 0.511 0.210 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.581 -2.222 1.273 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.392 -2.859 -0.188 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.428 -0.015 -1.248 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.635 -1.343 -2.072 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.226 -1.439 0.638 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.055 -1.815 1.924 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.042 -0.213 1.150 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.861 -0.937 -3.003 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.787 -2.542 -2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.592 -1.194 -1.401 1.00 0.00 H new ATOM 498 N CYS A 36 -3.605 -3.227 -0.913 1.00 0.00 N ATOM 499 CA CYS A 36 -2.717 -3.703 -1.966 1.00 0.00 C ATOM 500 C CYS A 36 -3.513 -4.314 -3.115 1.00 0.00 C ATOM 501 O CYS A 36 -4.743 -4.365 -3.074 1.00 0.00 O ATOM 502 CB CYS A 36 -1.735 -4.734 -1.407 1.00 0.00 C ATOM 503 SG CYS A 36 -2.530 -6.116 -0.527 1.00 0.00 S ATOM 0 H CYS A 36 -4.033 -3.967 -0.356 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.158 -2.849 -2.348 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.139 -5.134 -2.227 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.046 -4.233 -0.727 1.00 0.00 H new ATOM 508 N TRP A 37 -2.805 -4.776 -4.139 1.00 0.00 N ATOM 509 CA TRP A 37 -3.445 -5.384 -5.299 1.00 0.00 C ATOM 510 C TRP A 37 -4.402 -6.493 -4.875 1.00 0.00 C ATOM 511 O TRP A 37 -5.557 -6.527 -5.300 1.00 0.00 O ATOM 512 CB TRP A 37 -2.390 -5.943 -6.256 1.00 0.00 C ATOM 513 CG TRP A 37 -1.064 -5.253 -6.146 1.00 0.00 C ATOM 514 CD1 TRP A 37 0.155 -5.844 -5.973 1.00 0.00 C ATOM 515 CD2 TRP A 37 -0.825 -3.842 -6.199 1.00 0.00 C ATOM 516 NE1 TRP A 37 1.138 -4.885 -5.915 1.00 0.00 N ATOM 517 CE2 TRP A 37 0.563 -3.649 -6.053 1.00 0.00 C ATOM 518 CE3 TRP A 37 -1.647 -2.724 -6.359 1.00 0.00 C ATOM 519 CZ2 TRP A 37 1.143 -2.384 -6.060 1.00 0.00 C ATOM 520 CZ3 TRP A 37 -1.070 -1.468 -6.366 1.00 0.00 C ATOM 521 CH2 TRP A 37 0.314 -1.306 -6.218 1.00 0.00 C ATOM 0 H TRP A 37 -1.787 -4.741 -4.189 1.00 0.00 H new ATOM 0 HA TRP A 37 -4.018 -4.611 -5.812 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -2.256 -7.006 -6.057 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -2.754 -5.854 -7.279 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.322 -6.908 -5.893 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.134 -5.064 -5.790 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.715 -2.839 -6.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.209 -2.257 -5.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.696 -0.597 -6.488 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.735 -0.311 -6.229 1.00 0.00 H new ATOM 532 N LEU A 38 -3.914 -7.399 -4.033 1.00 0.00 N ATOM 533 CA LEU A 38 -4.727 -8.510 -3.550 1.00 0.00 C ATOM 534 C LEU A 38 -5.984 -8.001 -2.852 1.00 0.00 C ATOM 535 O LEU A 38 -7.089 -8.476 -3.117 1.00 0.00 O ATOM 536 CB LEU A 38 -3.915 -9.382 -2.592 1.00 0.00 C ATOM 537 CG LEU A 38 -2.923 -10.348 -3.241 1.00 0.00 C ATOM 538 CD1 LEU A 38 -3.659 -11.414 -4.037 1.00 0.00 C ATOM 539 CD2 LEU A 38 -1.948 -9.593 -4.132 1.00 0.00 C ATOM 0 H LEU A 38 -2.960 -7.386 -3.671 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.028 -9.109 -4.409 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.365 -8.728 -1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.609 -9.961 -1.982 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.356 -10.840 -2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.937 -12.092 -4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.316 -11.976 -3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.253 -10.940 -4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.250 -10.297 -4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.499 -9.073 -4.916 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.396 -8.868 -3.534 1.00 0.00 H new ATOM 551 N CYS A 39 -5.809 -7.032 -1.961 1.00 0.00 N ATOM 552 CA CYS A 39 -6.929 -6.457 -1.225 1.00 0.00 C ATOM 553 C CYS A 39 -7.923 -5.798 -2.176 1.00 0.00 C ATOM 554 O CYS A 39 -9.134 -5.973 -2.043 1.00 0.00 O ATOM 555 CB CYS A 39 -6.425 -5.432 -0.207 1.00 0.00 C ATOM 556 SG CYS A 39 -5.688 -6.170 1.288 1.00 0.00 S ATOM 0 H CYS A 39 -4.901 -6.628 -1.731 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.437 -7.264 -0.697 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.684 -4.793 -0.687 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.255 -4.791 0.089 1.00 0.00 H new ATOM 561 N GLU A 40 -7.402 -5.039 -3.136 1.00 0.00 N ATOM 562 CA GLU A 40 -8.245 -4.353 -4.108 1.00 0.00 C ATOM 563 C GLU A 40 -9.085 -5.352 -4.901 1.00 0.00 C ATOM 564 O GLU A 40 -10.261 -5.112 -5.171 1.00 0.00 O ATOM 565 CB GLU A 40 -7.387 -3.521 -5.063 1.00 0.00 C ATOM 566 CG GLU A 40 -8.162 -2.951 -6.239 1.00 0.00 C ATOM 567 CD GLU A 40 -7.304 -2.083 -7.139 1.00 0.00 C ATOM 568 OE1 GLU A 40 -6.516 -2.644 -7.929 1.00 0.00 O ATOM 569 OE2 GLU A 40 -7.420 -0.843 -7.052 1.00 0.00 O ATOM 0 H GLU A 40 -6.402 -4.884 -3.261 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.917 -3.690 -3.564 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.931 -2.701 -4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.574 -4.141 -5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.582 -3.770 -6.823 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.000 -2.363 -5.866 1.00 0.00 H new ATOM 576 N ARG A 41 -8.470 -6.471 -5.270 1.00 0.00 N ATOM 577 CA ARG A 41 -9.159 -7.505 -6.032 1.00 0.00 C ATOM 578 C ARG A 41 -9.827 -8.513 -5.101 1.00 0.00 C ATOM 579 O ARG A 41 -10.194 -9.611 -5.519 1.00 0.00 O ATOM 580 CB ARG A 41 -8.178 -8.223 -6.960 1.00 0.00 C ATOM 581 CG ARG A 41 -7.445 -7.291 -7.910 1.00 0.00 C ATOM 582 CD ARG A 41 -6.308 -8.005 -8.624 1.00 0.00 C ATOM 583 NE ARG A 41 -5.643 -7.141 -9.596 1.00 0.00 N ATOM 584 CZ ARG A 41 -6.054 -6.992 -10.850 1.00 0.00 C ATOM 585 NH1 ARG A 41 -7.123 -7.647 -11.282 1.00 0.00 N ATOM 586 NH2 ARG A 41 -5.396 -6.188 -11.674 1.00 0.00 N ATOM 0 H ARG A 41 -7.496 -6.684 -5.054 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.931 -7.025 -6.633 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -7.447 -8.761 -6.356 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.721 -8.968 -7.542 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.145 -6.894 -8.645 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.050 -6.440 -7.354 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.581 -8.352 -7.890 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.696 -8.889 -9.131 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.817 -6.623 -9.295 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.631 -8.267 -10.651 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.437 -7.531 -12.245 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.573 -5.683 -11.345 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.713 -6.074 -12.637 1.00 0.00 H new ATOM 600 N SER A 42 -9.980 -8.132 -3.837 1.00 0.00 N ATOM 601 CA SER A 42 -10.599 -9.004 -2.845 1.00 0.00 C ATOM 602 C SER A 42 -11.964 -8.466 -2.425 1.00 0.00 C ATOM 603 O SER A 42 -12.150 -7.257 -2.289 1.00 0.00 O ATOM 604 CB SER A 42 -9.693 -9.142 -1.620 1.00 0.00 C ATOM 605 OG SER A 42 -10.177 -10.140 -0.738 1.00 0.00 O ATOM 0 H SER A 42 -9.684 -7.225 -3.475 1.00 0.00 H new ATOM 0 HA SER A 42 -10.738 -9.986 -3.297 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.681 -9.393 -1.938 1.00 0.00 H new ATOM 0 HB3 SER A 42 -9.635 -8.187 -1.097 1.00 0.00 H new ATOM 0 HG SER A 42 -9.858 -9.957 0.170 1.00 0.00 H new ATOM 611 N GLN A 43 -12.913 -9.373 -2.221 1.00 0.00 N ATOM 612 CA GLN A 43 -14.261 -8.990 -1.817 1.00 0.00 C ATOM 613 C GLN A 43 -14.220 -7.969 -0.685 1.00 0.00 C ATOM 614 O GLN A 43 -15.107 -7.125 -0.566 1.00 0.00 O ATOM 615 CB GLN A 43 -15.055 -10.222 -1.380 1.00 0.00 C ATOM 616 CG GLN A 43 -15.357 -11.186 -2.517 1.00 0.00 C ATOM 617 CD GLN A 43 -16.014 -12.465 -2.039 1.00 0.00 C ATOM 618 OE1 GLN A 43 -15.989 -12.783 -0.849 1.00 0.00 O ATOM 619 NE2 GLN A 43 -16.609 -13.208 -2.965 1.00 0.00 N ATOM 0 H GLN A 43 -12.774 -10.378 -2.329 1.00 0.00 H new ATOM 0 HA GLN A 43 -14.755 -8.534 -2.675 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -14.496 -10.749 -0.607 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -15.994 -9.898 -0.930 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -16.009 -10.696 -3.240 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -14.431 -11.430 -3.037 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -16.606 -12.907 -3.940 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.069 -14.079 -2.702 1.00 0.00 H new ATOM 628 N GLU A 44 -13.185 -8.054 0.145 1.00 0.00 N ATOM 629 CA GLU A 44 -13.031 -7.138 1.269 1.00 0.00 C ATOM 630 C GLU A 44 -13.091 -5.687 0.800 1.00 0.00 C ATOM 631 O GLU A 44 -13.815 -4.869 1.368 1.00 0.00 O ATOM 632 CB GLU A 44 -11.706 -7.398 1.990 1.00 0.00 C ATOM 633 CG GLU A 44 -11.550 -8.828 2.479 1.00 0.00 C ATOM 634 CD GLU A 44 -10.139 -9.135 2.942 1.00 0.00 C ATOM 635 OE1 GLU A 44 -9.722 -8.581 3.981 1.00 0.00 O ATOM 636 OE2 GLU A 44 -9.452 -9.930 2.267 1.00 0.00 O ATOM 0 H GLU A 44 -12.441 -8.747 0.060 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.854 -7.312 1.962 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.883 -7.162 1.316 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.626 -6.721 2.841 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.245 -9.005 3.300 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.823 -9.514 1.677 1.00 0.00 H new ATOM 643 N HIS A 45 -12.324 -5.375 -0.240 1.00 0.00 N ATOM 644 CA HIS A 45 -12.290 -4.023 -0.786 1.00 0.00 C ATOM 645 C HIS A 45 -12.776 -4.008 -2.232 1.00 0.00 C ATOM 646 O HIS A 45 -12.592 -3.024 -2.949 1.00 0.00 O ATOM 647 CB HIS A 45 -10.873 -3.454 -0.706 1.00 0.00 C ATOM 648 CG HIS A 45 -10.390 -3.243 0.696 1.00 0.00 C ATOM 649 ND1 HIS A 45 -10.827 -2.209 1.495 1.00 0.00 N ATOM 650 CD2 HIS A 45 -9.503 -3.943 1.441 1.00 0.00 C ATOM 651 CE1 HIS A 45 -10.229 -2.280 2.671 1.00 0.00 C ATOM 652 NE2 HIS A 45 -9.420 -3.324 2.664 1.00 0.00 N ATOM 0 H HIS A 45 -11.718 -6.040 -0.721 1.00 0.00 H new ATOM 0 HA HIS A 45 -12.958 -3.400 -0.191 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -10.189 -4.130 -1.219 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -10.841 -2.504 -1.239 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -8.961 -4.824 1.131 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -10.377 -1.600 3.497 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.830 -3.622 3.441 1.00 0.00 H new ATOM 660 N ARG A 46 -13.395 -5.106 -2.654 1.00 0.00 N ATOM 661 CA ARG A 46 -13.906 -5.220 -4.015 1.00 0.00 C ATOM 662 C ARG A 46 -14.966 -4.157 -4.288 1.00 0.00 C ATOM 663 O ARG A 46 -15.954 -4.050 -3.562 1.00 0.00 O ATOM 664 CB ARG A 46 -14.493 -6.613 -4.247 1.00 0.00 C ATOM 665 CG ARG A 46 -14.788 -6.914 -5.707 1.00 0.00 C ATOM 666 CD ARG A 46 -15.362 -8.311 -5.883 1.00 0.00 C ATOM 667 NE ARG A 46 -14.327 -9.339 -5.830 1.00 0.00 N ATOM 668 CZ ARG A 46 -13.369 -9.466 -6.743 1.00 0.00 C ATOM 669 NH1 ARG A 46 -13.316 -8.633 -7.773 1.00 0.00 N ATOM 670 NH2 ARG A 46 -12.462 -10.427 -6.625 1.00 0.00 N ATOM 0 H ARG A 46 -13.555 -5.929 -2.073 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.075 -5.065 -4.703 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.797 -7.360 -3.864 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -15.414 -6.711 -3.671 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -15.492 -6.179 -6.096 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.873 -6.819 -6.291 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -16.101 -8.500 -5.104 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.884 -8.371 -6.838 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.339 -9.996 -5.050 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -14.011 -7.893 -7.866 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.580 -8.733 -8.472 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.499 -11.069 -5.833 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.727 -10.524 -7.326 1.00 0.00 H new ATOM 684 N GLY A 47 -14.754 -3.373 -5.341 1.00 0.00 N ATOM 685 CA GLY A 47 -15.699 -2.329 -5.691 1.00 0.00 C ATOM 686 C GLY A 47 -15.483 -1.059 -4.892 1.00 0.00 C ATOM 687 O GLY A 47 -16.346 -0.181 -4.862 1.00 0.00 O ATOM 0 H GLY A 47 -13.945 -3.443 -5.958 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -15.611 -2.105 -6.754 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -16.714 -2.691 -5.525 1.00 0.00 H new ATOM 691 N HIS A 48 -14.328 -0.961 -4.241 1.00 0.00 N ATOM 692 CA HIS A 48 -14.001 0.211 -3.437 1.00 0.00 C ATOM 693 C HIS A 48 -13.147 1.194 -4.231 1.00 0.00 C ATOM 694 O HIS A 48 -12.244 0.795 -4.966 1.00 0.00 O ATOM 695 CB HIS A 48 -13.267 -0.207 -2.163 1.00 0.00 C ATOM 696 CG HIS A 48 -14.107 -1.018 -1.225 1.00 0.00 C ATOM 697 ND1 HIS A 48 -13.750 -1.266 0.083 1.00 0.00 N ATOM 698 CD2 HIS A 48 -15.296 -1.638 -1.413 1.00 0.00 C ATOM 699 CE1 HIS A 48 -14.681 -2.004 0.659 1.00 0.00 C ATOM 700 NE2 HIS A 48 -15.631 -2.244 -0.227 1.00 0.00 N ATOM 0 H HIS A 48 -13.603 -1.679 -4.255 1.00 0.00 H new ATOM 0 HA HIS A 48 -14.933 0.705 -3.164 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -12.383 -0.783 -2.436 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.918 0.686 -1.645 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -15.873 -1.653 -2.326 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.668 -2.352 1.681 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -16.476 -2.790 -0.058 1.00 0.00 H new ATOM 708 N HIS A 49 -13.440 2.482 -4.079 1.00 0.00 N ATOM 709 CA HIS A 49 -12.698 3.523 -4.783 1.00 0.00 C ATOM 710 C HIS A 49 -11.371 3.809 -4.087 1.00 0.00 C ATOM 711 O HIS A 49 -11.341 4.345 -2.979 1.00 0.00 O ATOM 712 CB HIS A 49 -13.530 4.803 -4.866 1.00 0.00 C ATOM 713 CG HIS A 49 -14.642 4.731 -5.867 1.00 0.00 C ATOM 714 ND1 HIS A 49 -15.899 5.248 -5.635 1.00 0.00 N ATOM 715 CD2 HIS A 49 -14.679 4.200 -7.112 1.00 0.00 C ATOM 716 CE1 HIS A 49 -16.662 5.036 -6.692 1.00 0.00 C ATOM 717 NE2 HIS A 49 -15.945 4.403 -7.603 1.00 0.00 N ATOM 0 H HIS A 49 -14.185 2.830 -3.475 1.00 0.00 H new ATOM 0 HA HIS A 49 -12.489 3.168 -5.792 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -13.950 5.018 -3.883 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -12.875 5.636 -5.122 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -13.865 3.708 -7.623 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -17.696 5.330 -6.794 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -16.278 4.112 -8.522 1.00 0.00 H new ATOM 726 N THR A 50 -10.274 3.447 -4.745 1.00 0.00 N ATOM 727 CA THR A 50 -8.943 3.663 -4.190 1.00 0.00 C ATOM 728 C THR A 50 -8.148 4.651 -5.035 1.00 0.00 C ATOM 729 O THR A 50 -8.384 4.787 -6.236 1.00 0.00 O ATOM 730 CB THR A 50 -8.156 2.343 -4.088 1.00 0.00 C ATOM 731 OG1 THR A 50 -7.995 1.767 -5.389 1.00 0.00 O ATOM 732 CG2 THR A 50 -8.870 1.356 -3.176 1.00 0.00 C ATOM 0 H THR A 50 -10.281 3.003 -5.663 1.00 0.00 H new ATOM 0 HA THR A 50 -9.081 4.074 -3.190 1.00 0.00 H new ATOM 0 HB THR A 50 -7.176 2.562 -3.664 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.492 0.929 -5.316 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.295 0.431 -3.120 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.965 1.785 -2.179 1.00 0.00 H new ATOM 0 HG23 THR A 50 -9.862 1.143 -3.576 1.00 0.00 H new ATOM 740 N PHE A 51 -7.205 5.340 -4.401 1.00 0.00 N ATOM 741 CA PHE A 51 -6.375 6.317 -5.095 1.00 0.00 C ATOM 742 C PHE A 51 -4.910 6.167 -4.697 1.00 0.00 C ATOM 743 O PHE A 51 -4.582 5.745 -3.587 1.00 0.00 O ATOM 744 CB PHE A 51 -6.856 7.737 -4.788 1.00 0.00 C ATOM 745 CG PHE A 51 -8.348 7.892 -4.857 1.00 0.00 C ATOM 746 CD1 PHE A 51 -9.154 7.429 -3.830 1.00 0.00 C ATOM 747 CD2 PHE A 51 -8.945 8.501 -5.949 1.00 0.00 C ATOM 748 CE1 PHE A 51 -10.528 7.570 -3.889 1.00 0.00 C ATOM 749 CE2 PHE A 51 -10.318 8.646 -6.014 1.00 0.00 C ATOM 750 CZ PHE A 51 -11.111 8.179 -4.983 1.00 0.00 C ATOM 0 H PHE A 51 -6.997 5.240 -3.408 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.463 6.135 -6.166 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -6.515 8.020 -3.792 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -6.394 8.429 -5.492 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -8.703 6.952 -2.972 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -8.331 8.867 -6.759 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -11.144 7.205 -3.081 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -10.771 9.124 -6.870 1.00 0.00 H new ATOM 0 HZ PHE A 51 -12.184 8.290 -5.033 1.00 0.00 H new ATOM 760 N PRO A 52 -4.006 6.520 -5.623 1.00 0.00 N ATOM 761 CA PRO A 52 -2.561 6.434 -5.392 1.00 0.00 C ATOM 762 C PRO A 52 -2.073 7.466 -4.381 1.00 0.00 C ATOM 763 O PRO A 52 -1.850 8.628 -4.722 1.00 0.00 O ATOM 764 CB PRO A 52 -1.964 6.714 -6.773 1.00 0.00 C ATOM 765 CG PRO A 52 -2.999 7.523 -7.476 1.00 0.00 C ATOM 766 CD PRO A 52 -4.325 7.031 -6.966 1.00 0.00 C ATOM 0 HA PRO A 52 -2.272 5.469 -4.975 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.022 7.258 -6.694 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.754 5.788 -7.309 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.871 8.585 -7.269 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.925 7.398 -8.556 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.063 7.833 -6.926 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -4.737 6.250 -7.606 1.00 0.00 H new ATOM 774 N THR A 53 -1.907 7.034 -3.134 1.00 0.00 N ATOM 775 CA THR A 53 -1.446 7.921 -2.074 1.00 0.00 C ATOM 776 C THR A 53 0.075 8.027 -2.068 1.00 0.00 C ATOM 777 O THR A 53 0.633 9.075 -1.743 1.00 0.00 O ATOM 778 CB THR A 53 -1.920 7.436 -0.691 1.00 0.00 C ATOM 779 OG1 THR A 53 -1.499 8.357 0.322 1.00 0.00 O ATOM 780 CG2 THR A 53 -1.370 6.051 -0.384 1.00 0.00 C ATOM 0 H THR A 53 -2.085 6.075 -2.834 1.00 0.00 H new ATOM 0 HA THR A 53 -1.875 8.903 -2.274 1.00 0.00 H new ATOM 0 HB THR A 53 -3.009 7.382 -0.704 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.806 8.042 1.198 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.719 5.730 0.598 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.716 5.346 -1.140 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.280 6.083 -0.390 1.00 0.00 H new ATOM 788 N SER A 54 0.741 6.935 -2.430 1.00 0.00 N ATOM 789 CA SER A 54 2.199 6.904 -2.464 1.00 0.00 C ATOM 790 C SER A 54 2.723 7.460 -3.785 1.00 0.00 C ATOM 791 O SER A 54 3.684 8.229 -3.810 1.00 0.00 O ATOM 792 CB SER A 54 2.705 5.475 -2.262 1.00 0.00 C ATOM 793 OG SER A 54 2.428 5.016 -0.950 1.00 0.00 O ATOM 0 H SER A 54 0.294 6.060 -2.704 1.00 0.00 H new ATOM 0 HA SER A 54 2.570 7.531 -1.653 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.234 4.813 -2.989 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.779 5.437 -2.445 1.00 0.00 H new ATOM 0 HG SER A 54 2.760 4.100 -0.847 1.00 0.00 H new ATOM 799 N GLY A 55 2.084 7.065 -4.882 1.00 0.00 N ATOM 800 CA GLY A 55 2.500 7.532 -6.191 1.00 0.00 C ATOM 801 C GLY A 55 3.010 8.959 -6.163 1.00 0.00 C ATOM 802 O GLY A 55 2.238 9.916 -6.116 1.00 0.00 O ATOM 0 H GLY A 55 1.286 6.430 -4.887 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.282 6.877 -6.575 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.660 7.463 -6.882 1.00 0.00 H new ATOM 806 N PRO A 56 4.342 9.115 -6.189 1.00 0.00 N ATOM 807 CA PRO A 56 4.985 10.432 -6.166 1.00 0.00 C ATOM 808 C PRO A 56 4.770 11.206 -7.462 1.00 0.00 C ATOM 809 O PRO A 56 5.044 12.404 -7.534 1.00 0.00 O ATOM 810 CB PRO A 56 6.468 10.100 -5.981 1.00 0.00 C ATOM 811 CG PRO A 56 6.619 8.724 -6.533 1.00 0.00 C ATOM 812 CD PRO A 56 5.323 8.018 -6.245 1.00 0.00 C ATOM 0 HA PRO A 56 4.576 11.071 -5.383 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.102 10.811 -6.511 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.754 10.139 -4.930 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.818 8.753 -7.604 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.457 8.206 -6.067 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.076 7.297 -7.025 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.365 7.468 -5.305 1.00 0.00 H new ATOM 820 N SER A 57 4.277 10.513 -8.484 1.00 0.00 N ATOM 821 CA SER A 57 4.028 11.135 -9.780 1.00 0.00 C ATOM 822 C SER A 57 3.347 12.490 -9.610 1.00 0.00 C ATOM 823 O SER A 57 3.830 13.507 -10.107 1.00 0.00 O ATOM 824 CB SER A 57 3.163 10.221 -10.650 1.00 0.00 C ATOM 825 OG SER A 57 3.957 9.268 -11.335 1.00 0.00 O ATOM 0 H SER A 57 4.042 9.521 -8.440 1.00 0.00 H new ATOM 0 HA SER A 57 4.988 11.290 -10.272 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.430 9.708 -10.027 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.606 10.820 -11.370 1.00 0.00 H new ATOM 0 HG SER A 57 3.381 8.695 -11.883 1.00 0.00 H new ATOM 831 N SER A 58 2.221 12.494 -8.904 1.00 0.00 N ATOM 832 CA SER A 58 1.469 13.722 -8.671 1.00 0.00 C ATOM 833 C SER A 58 2.085 14.528 -7.532 1.00 0.00 C ATOM 834 O SER A 58 2.386 15.711 -7.685 1.00 0.00 O ATOM 835 CB SER A 58 0.009 13.398 -8.351 1.00 0.00 C ATOM 836 OG SER A 58 -0.737 14.581 -8.121 1.00 0.00 O ATOM 0 H SER A 58 1.809 11.661 -8.483 1.00 0.00 H new ATOM 0 HA SER A 58 1.509 14.322 -9.580 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.433 12.841 -9.177 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.040 12.756 -7.471 1.00 0.00 H new ATOM 0 HG SER A 58 -1.667 14.347 -7.920 1.00 0.00 H new ATOM 842 N GLY A 59 2.269 13.877 -6.387 1.00 0.00 N ATOM 843 CA GLY A 59 2.848 14.548 -5.237 1.00 0.00 C ATOM 844 C GLY A 59 1.806 14.938 -4.208 1.00 0.00 C ATOM 845 O GLY A 59 2.174 15.353 -3.111 1.00 0.00 O ATOM 0 H GLY A 59 2.028 12.898 -6.235 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.586 13.894 -4.772 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.378 15.441 -5.570 1.00 0.00 H new TER 849 GLY A 59 HETATM 850 ZN ZN A 201 -3.636 -7.266 1.194 1.00 0.00 ZN HETATM 851 ZN ZN A 401 -12.108 -0.604 1.142 1.00 0.00 ZN