USER MOD reduce.3.24.130724 H: found=0, std=0, add=304, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 304 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 123 HIS HE2 : A 123 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 127 HIS HE2 : A 127 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 25:sc= 0.408 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc=-0.00949 K(o=-0.0095,f=-0.87) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 HIS : no HD1:sc= -0.0252 X(o=-0.025,f=-0.023) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0666) USER MOD Single : A 119 ASN : amide:sc= -0.246 K(o=-0.25,f=-0.83) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= -0.832 K(o=-0.83,f=-0.24) USER MOD Single : A 128 THR OG1 : rot -56:sc= 0.813 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 27:sc= 0.0843 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 93 7.358 -8.076 -20.780 1.00 0.00 N ATOM 2 CA GLY A 93 8.400 -8.833 -20.113 1.00 0.00 C ATOM 3 C GLY A 93 8.502 -10.256 -20.626 1.00 0.00 C ATOM 4 O GLY A 93 8.239 -10.520 -21.799 1.00 0.00 O ATOM 0 HA2 GLY A 93 9.357 -8.330 -20.254 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.203 -8.850 -19.041 1.00 0.00 H new ATOM 8 N SER A 94 8.887 -11.175 -19.746 1.00 0.00 N ATOM 9 CA SER A 94 9.029 -12.578 -20.118 1.00 0.00 C ATOM 10 C SER A 94 8.043 -13.447 -19.344 1.00 0.00 C ATOM 11 O SER A 94 7.423 -12.996 -18.381 1.00 0.00 O ATOM 12 CB SER A 94 10.459 -13.054 -19.859 1.00 0.00 C ATOM 13 OG SER A 94 11.345 -12.578 -20.857 1.00 0.00 O ATOM 0 H SER A 94 9.106 -10.973 -18.770 1.00 0.00 H new ATOM 0 HA SER A 94 8.811 -12.670 -21.182 1.00 0.00 H new ATOM 0 HB2 SER A 94 10.789 -12.707 -18.880 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.484 -14.143 -19.836 1.00 0.00 H new ATOM 0 HG SER A 94 12.253 -12.895 -20.667 1.00 0.00 H new ATOM 19 N SER A 95 7.903 -14.698 -19.773 1.00 0.00 N ATOM 20 CA SER A 95 6.990 -15.631 -19.124 1.00 0.00 C ATOM 21 C SER A 95 7.745 -16.564 -18.183 1.00 0.00 C ATOM 22 O SER A 95 8.722 -17.201 -18.574 1.00 0.00 O ATOM 23 CB SER A 95 6.232 -16.448 -20.172 1.00 0.00 C ATOM 24 OG SER A 95 7.109 -17.308 -20.880 1.00 0.00 O ATOM 0 H SER A 95 8.410 -15.088 -20.567 1.00 0.00 H new ATOM 0 HA SER A 95 6.275 -15.053 -18.538 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.454 -17.037 -19.686 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.734 -15.776 -20.871 1.00 0.00 H new ATOM 0 HG SER A 95 7.895 -17.501 -20.327 1.00 0.00 H new ATOM 30 N GLY A 96 7.284 -16.640 -16.938 1.00 0.00 N ATOM 31 CA GLY A 96 7.926 -17.497 -15.960 1.00 0.00 C ATOM 32 C GLY A 96 9.310 -17.007 -15.580 1.00 0.00 C ATOM 33 O GLY A 96 10.288 -17.747 -15.686 1.00 0.00 O ATOM 0 H GLY A 96 6.477 -16.123 -16.590 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.305 -17.552 -15.066 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.999 -18.508 -16.360 1.00 0.00 H new ATOM 37 N SER A 97 9.392 -15.757 -15.137 1.00 0.00 N ATOM 38 CA SER A 97 10.667 -15.167 -14.745 1.00 0.00 C ATOM 39 C SER A 97 11.320 -15.976 -13.628 1.00 0.00 C ATOM 40 O SER A 97 10.669 -16.341 -12.649 1.00 0.00 O ATOM 41 CB SER A 97 10.466 -13.720 -14.292 1.00 0.00 C ATOM 42 OG SER A 97 9.813 -13.666 -13.035 1.00 0.00 O ATOM 0 H SER A 97 8.591 -15.133 -15.040 1.00 0.00 H new ATOM 0 HA SER A 97 11.327 -15.180 -15.612 1.00 0.00 H new ATOM 0 HB2 SER A 97 11.432 -13.219 -14.226 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.878 -13.181 -15.035 1.00 0.00 H new ATOM 0 HG SER A 97 9.698 -12.731 -12.766 1.00 0.00 H new ATOM 48 N SER A 98 12.610 -16.253 -13.783 1.00 0.00 N ATOM 49 CA SER A 98 13.352 -17.022 -12.791 1.00 0.00 C ATOM 50 C SER A 98 13.049 -16.524 -11.381 1.00 0.00 C ATOM 51 O SER A 98 12.724 -17.307 -10.490 1.00 0.00 O ATOM 52 CB SER A 98 14.854 -16.934 -13.064 1.00 0.00 C ATOM 53 OG SER A 98 15.223 -17.755 -14.159 1.00 0.00 O ATOM 0 H SER A 98 13.164 -15.956 -14.587 1.00 0.00 H new ATOM 0 HA SER A 98 13.038 -18.063 -12.866 1.00 0.00 H new ATOM 0 HB2 SER A 98 15.129 -15.900 -13.272 1.00 0.00 H new ATOM 0 HB3 SER A 98 15.407 -17.238 -12.175 1.00 0.00 H new ATOM 0 HG SER A 98 16.188 -17.679 -14.314 1.00 0.00 H new ATOM 59 N GLY A 99 13.160 -15.213 -11.187 1.00 0.00 N ATOM 60 CA GLY A 99 12.895 -14.631 -9.884 1.00 0.00 C ATOM 61 C GLY A 99 14.165 -14.227 -9.161 1.00 0.00 C ATOM 62 O GLY A 99 15.245 -14.743 -9.451 1.00 0.00 O ATOM 0 H GLY A 99 13.429 -14.544 -11.909 1.00 0.00 H new ATOM 0 HA2 GLY A 99 12.255 -13.757 -10.003 1.00 0.00 H new ATOM 0 HA3 GLY A 99 12.346 -15.348 -9.274 1.00 0.00 H new ATOM 66 N THR A 100 14.037 -13.299 -8.218 1.00 0.00 N ATOM 67 CA THR A 100 15.183 -12.823 -7.454 1.00 0.00 C ATOM 68 C THR A 100 14.991 -13.071 -5.962 1.00 0.00 C ATOM 69 O THR A 100 15.959 -13.171 -5.210 1.00 0.00 O ATOM 70 CB THR A 100 15.428 -11.319 -7.685 1.00 0.00 C ATOM 71 OG1 THR A 100 16.576 -10.890 -6.945 1.00 0.00 O ATOM 72 CG2 THR A 100 14.214 -10.503 -7.267 1.00 0.00 C ATOM 0 H THR A 100 13.151 -12.862 -7.965 1.00 0.00 H new ATOM 0 HA THR A 100 16.050 -13.383 -7.804 1.00 0.00 H new ATOM 0 HB THR A 100 15.603 -11.161 -8.749 1.00 0.00 H new ATOM 0 HG1 THR A 100 16.726 -9.934 -7.099 1.00 0.00 H new ATOM 0 HG21 THR A 100 14.410 -9.445 -7.439 1.00 0.00 H new ATOM 0 HG22 THR A 100 13.349 -10.812 -7.853 1.00 0.00 H new ATOM 0 HG23 THR A 100 14.012 -10.667 -6.208 1.00 0.00 H new ATOM 80 N GLY A 101 13.734 -13.169 -5.540 1.00 0.00 N ATOM 81 CA GLY A 101 13.438 -13.406 -4.139 1.00 0.00 C ATOM 82 C GLY A 101 12.138 -12.758 -3.704 1.00 0.00 C ATOM 83 O GLY A 101 11.077 -13.054 -4.252 1.00 0.00 O ATOM 0 H GLY A 101 12.915 -13.089 -6.143 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.383 -14.480 -3.959 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.255 -13.021 -3.528 1.00 0.00 H new ATOM 87 N GLN A 102 12.221 -11.875 -2.715 1.00 0.00 N ATOM 88 CA GLN A 102 11.042 -11.186 -2.205 1.00 0.00 C ATOM 89 C GLN A 102 11.437 -9.952 -1.401 1.00 0.00 C ATOM 90 O GLN A 102 12.503 -9.912 -0.787 1.00 0.00 O ATOM 91 CB GLN A 102 10.210 -12.130 -1.336 1.00 0.00 C ATOM 92 CG GLN A 102 8.722 -11.816 -1.347 1.00 0.00 C ATOM 93 CD GLN A 102 7.997 -12.380 -0.141 1.00 0.00 C ATOM 94 OE1 GLN A 102 8.530 -13.225 0.579 1.00 0.00 O ATOM 95 NE2 GLN A 102 6.775 -11.914 0.087 1.00 0.00 N ATOM 0 H GLN A 102 13.093 -11.620 -2.251 1.00 0.00 H new ATOM 0 HA GLN A 102 10.443 -10.865 -3.057 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.359 -13.153 -1.680 1.00 0.00 H new ATOM 0 HB3 GLN A 102 10.575 -12.082 -0.310 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.583 -10.735 -1.377 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.276 -12.220 -2.256 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.372 -11.214 -0.536 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.239 -12.256 0.885 1.00 0.00 H new ATOM 104 N LYS A 103 10.570 -8.944 -1.409 1.00 0.00 N ATOM 105 CA LYS A 103 10.827 -7.708 -0.680 1.00 0.00 C ATOM 106 C LYS A 103 9.697 -7.409 0.299 1.00 0.00 C ATOM 107 O LYS A 103 8.592 -7.941 0.191 1.00 0.00 O ATOM 108 CB LYS A 103 10.992 -6.541 -1.656 1.00 0.00 C ATOM 109 CG LYS A 103 12.428 -6.317 -2.100 1.00 0.00 C ATOM 110 CD LYS A 103 12.502 -5.395 -3.305 1.00 0.00 C ATOM 111 CE LYS A 103 13.884 -5.417 -3.939 1.00 0.00 C ATOM 112 NZ LYS A 103 14.037 -6.545 -4.899 1.00 0.00 N ATOM 0 H LYS A 103 9.683 -8.960 -1.913 1.00 0.00 H new ATOM 0 HA LYS A 103 11.750 -7.834 -0.115 1.00 0.00 H new ATOM 0 HB2 LYS A 103 10.373 -6.723 -2.535 1.00 0.00 H new ATOM 0 HB3 LYS A 103 10.619 -5.630 -1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 103 13.001 -5.889 -1.278 1.00 0.00 H new ATOM 0 HG3 LYS A 103 12.888 -7.275 -2.345 1.00 0.00 H new ATOM 0 HD2 LYS A 103 11.758 -5.697 -4.042 1.00 0.00 H new ATOM 0 HD3 LYS A 103 12.256 -4.377 -3.002 1.00 0.00 H new ATOM 0 HE2 LYS A 103 14.061 -4.474 -4.456 1.00 0.00 H new ATOM 0 HE3 LYS A 103 14.640 -5.500 -3.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 14.992 -6.525 -5.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 13.893 -7.447 -4.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 13.332 -6.453 -5.658 1.00 0.00 H new ATOM 126 N PRO A 104 9.976 -6.536 1.279 1.00 0.00 N ATOM 127 CA PRO A 104 8.995 -6.145 2.295 1.00 0.00 C ATOM 128 C PRO A 104 7.873 -5.288 1.718 1.00 0.00 C ATOM 129 O PRO A 104 6.918 -4.947 2.416 1.00 0.00 O ATOM 130 CB PRO A 104 9.824 -5.338 3.297 1.00 0.00 C ATOM 131 CG PRO A 104 10.972 -4.815 2.504 1.00 0.00 C ATOM 132 CD PRO A 104 11.272 -5.864 1.469 1.00 0.00 C ATOM 0 HA PRO A 104 8.495 -7.009 2.733 1.00 0.00 H new ATOM 0 HB2 PRO A 104 9.240 -4.526 3.731 1.00 0.00 H new ATOM 0 HB3 PRO A 104 10.165 -5.963 4.123 1.00 0.00 H new ATOM 0 HG2 PRO A 104 10.721 -3.864 2.034 1.00 0.00 H new ATOM 0 HG3 PRO A 104 11.838 -4.637 3.142 1.00 0.00 H new ATOM 0 HD2 PRO A 104 11.635 -5.421 0.541 1.00 0.00 H new ATOM 0 HD3 PRO A 104 12.039 -6.559 1.812 1.00 0.00 H new ATOM 140 N PHE A 105 7.995 -4.944 0.441 1.00 0.00 N ATOM 141 CA PHE A 105 6.991 -4.126 -0.230 1.00 0.00 C ATOM 142 C PHE A 105 6.838 -4.542 -1.690 1.00 0.00 C ATOM 143 O PHE A 105 7.706 -4.268 -2.518 1.00 0.00 O ATOM 144 CB PHE A 105 7.370 -2.646 -0.147 1.00 0.00 C ATOM 145 CG PHE A 105 7.760 -2.204 1.235 1.00 0.00 C ATOM 146 CD1 PHE A 105 6.794 -1.822 2.152 1.00 0.00 C ATOM 147 CD2 PHE A 105 9.091 -2.171 1.616 1.00 0.00 C ATOM 148 CE1 PHE A 105 7.150 -1.414 3.424 1.00 0.00 C ATOM 149 CE2 PHE A 105 9.453 -1.764 2.887 1.00 0.00 C ATOM 150 CZ PHE A 105 8.481 -1.386 3.792 1.00 0.00 C ATOM 0 H PHE A 105 8.779 -5.219 -0.151 1.00 0.00 H new ATOM 0 HA PHE A 105 6.037 -4.279 0.275 1.00 0.00 H new ATOM 0 HB2 PHE A 105 8.198 -2.452 -0.829 1.00 0.00 H new ATOM 0 HB3 PHE A 105 6.528 -2.044 -0.488 1.00 0.00 H new ATOM 0 HD1 PHE A 105 5.752 -1.843 1.870 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.855 -2.467 0.912 1.00 0.00 H new ATOM 0 HE1 PHE A 105 6.388 -1.117 4.129 1.00 0.00 H new ATOM 0 HE2 PHE A 105 10.495 -1.742 3.171 1.00 0.00 H new ATOM 0 HZ PHE A 105 8.761 -1.069 4.786 1.00 0.00 H new ATOM 160 N GLU A 106 5.727 -5.205 -1.997 1.00 0.00 N ATOM 161 CA GLU A 106 5.460 -5.660 -3.356 1.00 0.00 C ATOM 162 C GLU A 106 4.107 -5.151 -3.845 1.00 0.00 C ATOM 163 O GLU A 106 3.140 -5.095 -3.084 1.00 0.00 O ATOM 164 CB GLU A 106 5.496 -7.188 -3.422 1.00 0.00 C ATOM 165 CG GLU A 106 5.623 -7.733 -4.835 1.00 0.00 C ATOM 166 CD GLU A 106 6.093 -9.175 -4.864 1.00 0.00 C ATOM 167 OE1 GLU A 106 7.160 -9.462 -4.282 1.00 0.00 O ATOM 168 OE2 GLU A 106 5.395 -10.015 -5.469 1.00 0.00 O ATOM 0 H GLU A 106 4.998 -5.439 -1.323 1.00 0.00 H new ATOM 0 HA GLU A 106 6.237 -5.257 -4.006 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.334 -7.549 -2.825 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.587 -7.584 -2.969 1.00 0.00 H new ATOM 0 HG2 GLU A 106 4.658 -7.659 -5.337 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.323 -7.115 -5.397 1.00 0.00 H new ATOM 175 N CYS A 107 4.047 -4.779 -5.119 1.00 0.00 N ATOM 176 CA CYS A 107 2.814 -4.273 -5.711 1.00 0.00 C ATOM 177 C CYS A 107 2.001 -5.408 -6.328 1.00 0.00 C ATOM 178 O CYS A 107 1.909 -5.528 -7.550 1.00 0.00 O ATOM 179 CB CYS A 107 3.130 -3.220 -6.775 1.00 0.00 C ATOM 180 SG CYS A 107 1.678 -2.276 -7.340 1.00 0.00 S ATOM 0 H CYS A 107 4.838 -4.818 -5.762 1.00 0.00 H new ATOM 0 HA CYS A 107 2.221 -3.814 -4.920 1.00 0.00 H new ATOM 0 HB2 CYS A 107 3.869 -2.525 -6.375 1.00 0.00 H new ATOM 0 HB3 CYS A 107 3.587 -3.712 -7.634 1.00 0.00 H new ATOM 185 N THR A 108 1.412 -6.239 -5.473 1.00 0.00 N ATOM 186 CA THR A 108 0.607 -7.364 -5.933 1.00 0.00 C ATOM 187 C THR A 108 -0.184 -6.999 -7.184 1.00 0.00 C ATOM 188 O THR A 108 -0.397 -7.836 -8.062 1.00 0.00 O ATOM 189 CB THR A 108 -0.370 -7.839 -4.841 1.00 0.00 C ATOM 190 OG1 THR A 108 -1.164 -8.924 -5.333 1.00 0.00 O ATOM 191 CG2 THR A 108 -1.277 -6.702 -4.395 1.00 0.00 C ATOM 0 H THR A 108 1.477 -6.154 -4.459 1.00 0.00 H new ATOM 0 HA THR A 108 1.299 -8.173 -6.168 1.00 0.00 H new ATOM 0 HB THR A 108 0.213 -8.175 -3.984 1.00 0.00 H new ATOM 0 HG1 THR A 108 -1.781 -9.221 -4.633 1.00 0.00 H new ATOM 0 HG21 THR A 108 -1.958 -7.061 -3.624 1.00 0.00 H new ATOM 0 HG22 THR A 108 -0.671 -5.889 -3.994 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.852 -6.340 -5.247 1.00 0.00 H new ATOM 199 N HIS A 109 -0.618 -5.745 -7.259 1.00 0.00 N ATOM 200 CA HIS A 109 -1.386 -5.269 -8.404 1.00 0.00 C ATOM 201 C HIS A 109 -0.757 -5.739 -9.713 1.00 0.00 C ATOM 202 O HIS A 109 -1.402 -6.412 -10.517 1.00 0.00 O ATOM 203 CB HIS A 109 -1.476 -3.743 -8.387 1.00 0.00 C ATOM 204 CG HIS A 109 -2.195 -3.199 -7.191 1.00 0.00 C ATOM 205 ND1 HIS A 109 -3.563 -3.271 -7.039 1.00 0.00 N ATOM 206 CD2 HIS A 109 -1.727 -2.573 -6.086 1.00 0.00 C ATOM 207 CE1 HIS A 109 -3.907 -2.711 -5.892 1.00 0.00 C ATOM 208 NE2 HIS A 109 -2.811 -2.280 -5.295 1.00 0.00 N ATOM 0 H HIS A 109 -0.451 -5.040 -6.541 1.00 0.00 H new ATOM 0 HA HIS A 109 -2.391 -5.685 -8.334 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -0.469 -3.327 -8.415 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -1.985 -3.407 -9.291 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -0.694 -2.346 -5.867 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -4.913 -2.621 -5.509 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -2.775 -1.806 -4.392 1.00 0.00 H new ATOM 216 N CYS A 110 0.505 -5.378 -9.920 1.00 0.00 N ATOM 217 CA CYS A 110 1.221 -5.761 -11.130 1.00 0.00 C ATOM 218 C CYS A 110 2.381 -6.698 -10.803 1.00 0.00 C ATOM 219 O CYS A 110 2.616 -7.680 -11.505 1.00 0.00 O ATOM 220 CB CYS A 110 1.744 -4.518 -11.853 1.00 0.00 C ATOM 221 SG CYS A 110 2.852 -3.482 -10.844 1.00 0.00 S ATOM 0 H CYS A 110 1.053 -4.820 -9.265 1.00 0.00 H new ATOM 0 HA CYS A 110 0.525 -6.287 -11.783 1.00 0.00 H new ATOM 0 HB2 CYS A 110 2.275 -4.830 -12.752 1.00 0.00 H new ATOM 0 HB3 CYS A 110 0.896 -3.915 -12.177 1.00 0.00 H new ATOM 226 N GLY A 111 3.102 -6.386 -9.731 1.00 0.00 N ATOM 227 CA GLY A 111 4.228 -7.209 -9.329 1.00 0.00 C ATOM 228 C GLY A 111 5.482 -6.394 -9.079 1.00 0.00 C ATOM 229 O GLY A 111 6.570 -6.948 -8.922 1.00 0.00 O ATOM 0 H GLY A 111 2.927 -5.578 -9.134 1.00 0.00 H new ATOM 0 HA2 GLY A 111 3.968 -7.757 -8.424 1.00 0.00 H new ATOM 0 HA3 GLY A 111 4.428 -7.949 -10.104 1.00 0.00 H new ATOM 233 N LYS A 112 5.331 -5.074 -9.043 1.00 0.00 N ATOM 234 CA LYS A 112 6.459 -4.181 -8.811 1.00 0.00 C ATOM 235 C LYS A 112 6.908 -4.238 -7.354 1.00 0.00 C ATOM 236 O LYS A 112 6.156 -3.878 -6.449 1.00 0.00 O ATOM 237 CB LYS A 112 6.084 -2.745 -9.184 1.00 0.00 C ATOM 238 CG LYS A 112 7.283 -1.856 -9.465 1.00 0.00 C ATOM 239 CD LYS A 112 7.769 -2.010 -10.896 1.00 0.00 C ATOM 240 CE LYS A 112 8.768 -0.925 -11.266 1.00 0.00 C ATOM 241 NZ LYS A 112 9.551 -1.283 -12.481 1.00 0.00 N ATOM 0 H LYS A 112 4.437 -4.599 -9.172 1.00 0.00 H new ATOM 0 HA LYS A 112 7.286 -4.510 -9.441 1.00 0.00 H new ATOM 0 HB2 LYS A 112 5.442 -2.763 -10.064 1.00 0.00 H new ATOM 0 HB3 LYS A 112 5.501 -2.308 -8.373 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.016 -0.815 -9.280 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.091 -2.105 -8.777 1.00 0.00 H new ATOM 0 HD2 LYS A 112 8.231 -2.989 -11.021 1.00 0.00 H new ATOM 0 HD3 LYS A 112 6.918 -1.970 -11.576 1.00 0.00 H new ATOM 0 HE2 LYS A 112 8.239 0.012 -11.438 1.00 0.00 H new ATOM 0 HE3 LYS A 112 9.449 -0.758 -10.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 10.221 -0.518 -12.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.076 -2.164 -12.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.904 -1.417 -13.284 1.00 0.00 H new ATOM 255 N SER A 113 8.138 -4.692 -7.136 1.00 0.00 N ATOM 256 CA SER A 113 8.686 -4.798 -5.789 1.00 0.00 C ATOM 257 C SER A 113 9.463 -3.539 -5.417 1.00 0.00 C ATOM 258 O SER A 113 9.887 -2.778 -6.287 1.00 0.00 O ATOM 259 CB SER A 113 9.596 -6.023 -5.681 1.00 0.00 C ATOM 260 OG SER A 113 10.733 -5.889 -6.514 1.00 0.00 O ATOM 0 H SER A 113 8.774 -4.992 -7.875 1.00 0.00 H new ATOM 0 HA SER A 113 7.854 -4.909 -5.093 1.00 0.00 H new ATOM 0 HB2 SER A 113 9.913 -6.154 -4.646 1.00 0.00 H new ATOM 0 HB3 SER A 113 9.040 -6.918 -5.960 1.00 0.00 H new ATOM 0 HG SER A 113 11.299 -6.684 -6.425 1.00 0.00 H new ATOM 266 N PHE A 114 9.646 -3.326 -4.119 1.00 0.00 N ATOM 267 CA PHE A 114 10.371 -2.159 -3.630 1.00 0.00 C ATOM 268 C PHE A 114 11.087 -2.473 -2.320 1.00 0.00 C ATOM 269 O PHE A 114 10.786 -3.466 -1.658 1.00 0.00 O ATOM 270 CB PHE A 114 9.412 -0.983 -3.431 1.00 0.00 C ATOM 271 CG PHE A 114 8.771 -0.510 -4.704 1.00 0.00 C ATOM 272 CD1 PHE A 114 7.659 -1.158 -5.218 1.00 0.00 C ATOM 273 CD2 PHE A 114 9.280 0.583 -5.387 1.00 0.00 C ATOM 274 CE1 PHE A 114 7.068 -0.726 -6.390 1.00 0.00 C ATOM 275 CE2 PHE A 114 8.692 1.020 -6.560 1.00 0.00 C ATOM 276 CZ PHE A 114 7.584 0.365 -7.061 1.00 0.00 C ATOM 0 H PHE A 114 9.302 -3.946 -3.386 1.00 0.00 H new ATOM 0 HA PHE A 114 11.118 -1.888 -4.376 1.00 0.00 H new ATOM 0 HB2 PHE A 114 8.632 -1.276 -2.728 1.00 0.00 H new ATOM 0 HB3 PHE A 114 9.955 -0.154 -2.978 1.00 0.00 H new ATOM 0 HD1 PHE A 114 7.250 -2.011 -4.696 1.00 0.00 H new ATOM 0 HD2 PHE A 114 10.146 1.099 -4.999 1.00 0.00 H new ATOM 0 HE1 PHE A 114 6.203 -1.241 -6.781 1.00 0.00 H new ATOM 0 HE2 PHE A 114 9.099 1.872 -7.084 1.00 0.00 H new ATOM 0 HZ PHE A 114 7.122 0.706 -7.976 1.00 0.00 H new ATOM 286 N ARG A 115 12.037 -1.619 -1.953 1.00 0.00 N ATOM 287 CA ARG A 115 12.798 -1.805 -0.723 1.00 0.00 C ATOM 288 C ARG A 115 12.083 -1.163 0.462 1.00 0.00 C ATOM 289 O ARG A 115 12.011 -1.743 1.544 1.00 0.00 O ATOM 290 CB ARG A 115 14.200 -1.210 -0.871 1.00 0.00 C ATOM 291 CG ARG A 115 15.248 -1.898 -0.011 1.00 0.00 C ATOM 292 CD ARG A 115 16.633 -1.789 -0.628 1.00 0.00 C ATOM 293 NE ARG A 115 17.590 -2.686 0.013 1.00 0.00 N ATOM 294 CZ ARG A 115 18.179 -2.424 1.175 1.00 0.00 C ATOM 295 NH1 ARG A 115 17.910 -1.297 1.819 1.00 0.00 N ATOM 296 NH2 ARG A 115 19.039 -3.290 1.695 1.00 0.00 N ATOM 0 H ARG A 115 12.298 -0.792 -2.490 1.00 0.00 H new ATOM 0 HA ARG A 115 12.883 -2.876 -0.536 1.00 0.00 H new ATOM 0 HB2 ARG A 115 14.503 -1.271 -1.916 1.00 0.00 H new ATOM 0 HB3 ARG A 115 14.166 -0.152 -0.610 1.00 0.00 H new ATOM 0 HG2 ARG A 115 15.255 -1.451 0.983 1.00 0.00 H new ATOM 0 HG3 ARG A 115 14.986 -2.949 0.114 1.00 0.00 H new ATOM 0 HD2 ARG A 115 16.575 -2.021 -1.692 1.00 0.00 H new ATOM 0 HD3 ARG A 115 16.987 -0.762 -0.544 1.00 0.00 H new ATOM 0 HE ARG A 115 17.819 -3.562 -0.457 1.00 0.00 H new ATOM 0 HH11 ARG A 115 17.249 -0.628 1.423 1.00 0.00 H new ATOM 0 HH12 ARG A 115 18.364 -1.098 2.711 1.00 0.00 H new ATOM 0 HH21 ARG A 115 19.249 -4.158 1.203 1.00 0.00 H new ATOM 0 HH22 ARG A 115 19.490 -3.087 2.587 1.00 0.00 H new ATOM 310 N ALA A 116 11.557 0.038 0.248 1.00 0.00 N ATOM 311 CA ALA A 116 10.846 0.759 1.297 1.00 0.00 C ATOM 312 C ALA A 116 9.383 0.970 0.924 1.00 0.00 C ATOM 313 O ALA A 116 9.015 0.908 -0.249 1.00 0.00 O ATOM 314 CB ALA A 116 11.521 2.094 1.571 1.00 0.00 C ATOM 0 H ALA A 116 11.610 0.533 -0.642 1.00 0.00 H new ATOM 0 HA ALA A 116 10.879 0.155 2.204 1.00 0.00 H new ATOM 0 HB1 ALA A 116 10.979 2.621 2.356 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.549 1.923 1.891 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.519 2.696 0.662 1.00 0.00 H new ATOM 320 N LYS A 117 8.550 1.218 1.930 1.00 0.00 N ATOM 321 CA LYS A 117 7.126 1.439 1.708 1.00 0.00 C ATOM 322 C LYS A 117 6.899 2.609 0.756 1.00 0.00 C ATOM 323 O LYS A 117 6.338 2.442 -0.326 1.00 0.00 O ATOM 324 CB LYS A 117 6.417 1.705 3.038 1.00 0.00 C ATOM 325 CG LYS A 117 4.912 1.859 2.905 1.00 0.00 C ATOM 326 CD LYS A 117 4.200 0.525 3.052 1.00 0.00 C ATOM 327 CE LYS A 117 2.823 0.555 2.408 1.00 0.00 C ATOM 328 NZ LYS A 117 2.895 0.352 0.934 1.00 0.00 N ATOM 0 H LYS A 117 8.837 1.271 2.907 1.00 0.00 H new ATOM 0 HA LYS A 117 6.710 0.539 1.255 1.00 0.00 H new ATOM 0 HB2 LYS A 117 6.631 0.885 3.724 1.00 0.00 H new ATOM 0 HB3 LYS A 117 6.828 2.610 3.485 1.00 0.00 H new ATOM 0 HG2 LYS A 117 4.548 2.552 3.663 1.00 0.00 H new ATOM 0 HG3 LYS A 117 4.674 2.294 1.934 1.00 0.00 H new ATOM 0 HD2 LYS A 117 4.800 -0.261 2.594 1.00 0.00 H new ATOM 0 HD3 LYS A 117 4.103 0.277 4.109 1.00 0.00 H new ATOM 0 HE2 LYS A 117 2.198 -0.220 2.851 1.00 0.00 H new ATOM 0 HE3 LYS A 117 2.344 1.511 2.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 1.953 0.497 0.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 3.564 1.033 0.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 3.218 -0.616 0.732 1.00 0.00 H new ATOM 342 N GLY A 118 7.341 3.795 1.165 1.00 0.00 N ATOM 343 CA GLY A 118 7.177 4.974 0.336 1.00 0.00 C ATOM 344 C GLY A 118 7.413 4.687 -1.133 1.00 0.00 C ATOM 345 O GLY A 118 6.510 4.840 -1.955 1.00 0.00 O ATOM 0 H GLY A 118 7.810 3.960 2.056 1.00 0.00 H new ATOM 0 HA2 GLY A 118 6.170 5.370 0.468 1.00 0.00 H new ATOM 0 HA3 GLY A 118 7.870 5.747 0.668 1.00 0.00 H new ATOM 349 N ASN A 119 8.630 4.270 -1.466 1.00 0.00 N ATOM 350 CA ASN A 119 8.982 3.963 -2.847 1.00 0.00 C ATOM 351 C ASN A 119 7.833 3.253 -3.557 1.00 0.00 C ATOM 352 O ASN A 119 7.445 3.630 -4.664 1.00 0.00 O ATOM 353 CB ASN A 119 10.240 3.093 -2.894 1.00 0.00 C ATOM 354 CG ASN A 119 11.048 3.313 -4.158 1.00 0.00 C ATOM 355 OD1 ASN A 119 10.496 3.608 -5.218 1.00 0.00 O ATOM 356 ND2 ASN A 119 12.364 3.168 -4.051 1.00 0.00 N ATOM 0 H ASN A 119 9.389 4.137 -0.798 1.00 0.00 H new ATOM 0 HA ASN A 119 9.179 4.903 -3.362 1.00 0.00 H new ATOM 0 HB2 ASN A 119 10.862 3.311 -2.026 1.00 0.00 H new ATOM 0 HB3 ASN A 119 9.955 2.043 -2.826 1.00 0.00 H new ATOM 0 HD21 ASN A 119 12.960 3.302 -4.868 1.00 0.00 H new ATOM 0 HD22 ASN A 119 12.779 2.923 -3.152 1.00 0.00 H new ATOM 363 N LEU A 120 7.292 2.225 -2.912 1.00 0.00 N ATOM 364 CA LEU A 120 6.186 1.462 -3.480 1.00 0.00 C ATOM 365 C LEU A 120 4.917 2.306 -3.541 1.00 0.00 C ATOM 366 O LEU A 120 4.268 2.396 -4.583 1.00 0.00 O ATOM 367 CB LEU A 120 5.934 0.200 -2.654 1.00 0.00 C ATOM 368 CG LEU A 120 4.585 -0.486 -2.871 1.00 0.00 C ATOM 369 CD1 LEU A 120 4.409 -0.866 -4.333 1.00 0.00 C ATOM 370 CD2 LEU A 120 4.462 -1.714 -1.981 1.00 0.00 C ATOM 0 H LEU A 120 7.601 1.901 -1.996 1.00 0.00 H new ATOM 0 HA LEU A 120 6.458 1.175 -4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.724 -0.518 -2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 120 6.023 0.457 -1.598 1.00 0.00 H new ATOM 0 HG LEU A 120 3.795 0.215 -2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 120 3.443 -1.353 -4.469 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.453 0.032 -4.950 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.205 -1.549 -4.630 1.00 0.00 H new ATOM 0 HD21 LEU A 120 3.496 -2.190 -2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.259 -2.418 -2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 120 4.543 -1.415 -0.936 1.00 0.00 H new ATOM 382 N VAL A 121 4.569 2.924 -2.417 1.00 0.00 N ATOM 383 CA VAL A 121 3.379 3.763 -2.343 1.00 0.00 C ATOM 384 C VAL A 121 3.288 4.695 -3.546 1.00 0.00 C ATOM 385 O VAL A 121 2.240 4.804 -4.183 1.00 0.00 O ATOM 386 CB VAL A 121 3.367 4.606 -1.053 1.00 0.00 C ATOM 387 CG1 VAL A 121 2.121 5.478 -0.997 1.00 0.00 C ATOM 388 CG2 VAL A 121 3.454 3.707 0.171 1.00 0.00 C ATOM 0 H VAL A 121 5.094 2.859 -1.545 1.00 0.00 H new ATOM 0 HA VAL A 121 2.519 3.093 -2.340 1.00 0.00 H new ATOM 0 HB VAL A 121 4.239 5.260 -1.058 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.129 6.066 -0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 121 2.106 6.147 -1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 121 1.233 4.846 -1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.444 4.319 1.073 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.602 3.027 0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.378 3.130 0.134 1.00 0.00 H new ATOM 398 N THR A 122 4.394 5.365 -3.854 1.00 0.00 N ATOM 399 CA THR A 122 4.439 6.288 -4.981 1.00 0.00 C ATOM 400 C THR A 122 4.136 5.571 -6.292 1.00 0.00 C ATOM 401 O THR A 122 3.529 6.143 -7.198 1.00 0.00 O ATOM 402 CB THR A 122 5.814 6.973 -5.091 1.00 0.00 C ATOM 403 OG1 THR A 122 5.930 8.001 -4.100 1.00 0.00 O ATOM 404 CG2 THR A 122 6.011 7.573 -6.476 1.00 0.00 C ATOM 0 H THR A 122 5.271 5.286 -3.339 1.00 0.00 H new ATOM 0 HA THR A 122 3.677 7.045 -4.799 1.00 0.00 H new ATOM 0 HB THR A 122 6.584 6.220 -4.925 1.00 0.00 H new ATOM 0 HG1 THR A 122 6.808 8.431 -4.175 1.00 0.00 H new ATOM 0 HG21 THR A 122 6.989 8.051 -6.530 1.00 0.00 H new ATOM 0 HG22 THR A 122 5.951 6.784 -7.226 1.00 0.00 H new ATOM 0 HG23 THR A 122 5.234 8.314 -6.666 1.00 0.00 H new ATOM 412 N HIS A 123 4.561 4.315 -6.386 1.00 0.00 N ATOM 413 CA HIS A 123 4.333 3.519 -7.587 1.00 0.00 C ATOM 414 C HIS A 123 2.856 3.163 -7.730 1.00 0.00 C ATOM 415 O HIS A 123 2.274 3.314 -8.804 1.00 0.00 O ATOM 416 CB HIS A 123 5.175 2.243 -7.546 1.00 0.00 C ATOM 417 CG HIS A 123 4.664 1.159 -8.444 1.00 0.00 C ATOM 418 ND1 HIS A 123 5.011 1.056 -9.774 1.00 0.00 N ATOM 419 CD2 HIS A 123 3.827 0.124 -8.194 1.00 0.00 C ATOM 420 CE1 HIS A 123 4.409 0.007 -10.305 1.00 0.00 C ATOM 421 NE2 HIS A 123 3.684 -0.576 -9.367 1.00 0.00 N ATOM 0 H HIS A 123 5.065 3.827 -5.646 1.00 0.00 H new ATOM 0 HA HIS A 123 4.631 4.115 -8.450 1.00 0.00 H new ATOM 0 HB2 HIS A 123 6.200 2.485 -7.828 1.00 0.00 H new ATOM 0 HB3 HIS A 123 5.206 1.871 -6.522 1.00 0.00 H new ATOM 0 HD1 HIS A 123 5.636 1.691 -10.271 1.00 0.00 H new ATOM 0 HD2 HIS A 123 3.359 -0.108 -7.249 1.00 0.00 H new ATOM 0 HE1 HIS A 123 4.495 -0.319 -11.331 1.00 0.00 H new ATOM 429 N GLN A 124 2.258 2.689 -6.642 1.00 0.00 N ATOM 430 CA GLN A 124 0.850 2.311 -6.648 1.00 0.00 C ATOM 431 C GLN A 124 -0.014 3.435 -7.211 1.00 0.00 C ATOM 432 O GLN A 124 -1.046 3.185 -7.833 1.00 0.00 O ATOM 433 CB GLN A 124 0.389 1.957 -5.233 1.00 0.00 C ATOM 434 CG GLN A 124 1.449 1.245 -4.408 1.00 0.00 C ATOM 435 CD GLN A 124 0.854 0.395 -3.302 1.00 0.00 C ATOM 436 OE1 GLN A 124 -0.049 -0.409 -3.539 1.00 0.00 O ATOM 437 NE2 GLN A 124 1.357 0.569 -2.086 1.00 0.00 N ATOM 0 H GLN A 124 2.726 2.558 -5.745 1.00 0.00 H new ATOM 0 HA GLN A 124 0.738 1.436 -7.289 1.00 0.00 H new ATOM 0 HB2 GLN A 124 0.092 2.870 -4.717 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -0.496 1.324 -5.296 1.00 0.00 H new ATOM 0 HG2 GLN A 124 2.050 0.614 -5.063 1.00 0.00 H new ATOM 0 HG3 GLN A 124 2.121 1.984 -3.972 1.00 0.00 H new ATOM 0 HE21 GLN A 124 2.105 1.246 -1.935 1.00 0.00 H new ATOM 0 HE22 GLN A 124 0.996 0.025 -1.302 1.00 0.00 H new ATOM 446 N ARG A 125 0.416 4.672 -6.988 1.00 0.00 N ATOM 447 CA ARG A 125 -0.319 5.835 -7.472 1.00 0.00 C ATOM 448 C ARG A 125 -0.592 5.721 -8.969 1.00 0.00 C ATOM 449 O ARG A 125 -1.530 6.328 -9.487 1.00 0.00 O ATOM 450 CB ARG A 125 0.464 7.117 -7.182 1.00 0.00 C ATOM 451 CG ARG A 125 0.809 7.300 -5.713 1.00 0.00 C ATOM 452 CD ARG A 125 1.628 8.561 -5.486 1.00 0.00 C ATOM 453 NE ARG A 125 0.821 9.770 -5.625 1.00 0.00 N ATOM 454 CZ ARG A 125 1.272 10.990 -5.352 1.00 0.00 C ATOM 455 NH1 ARG A 125 2.516 11.161 -4.927 1.00 0.00 N ATOM 456 NH2 ARG A 125 0.477 12.041 -5.503 1.00 0.00 N ATOM 0 H ARG A 125 1.269 4.895 -6.476 1.00 0.00 H new ATOM 0 HA ARG A 125 -1.274 5.874 -6.948 1.00 0.00 H new ATOM 0 HB2 ARG A 125 1.385 7.110 -7.765 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.120 7.974 -7.519 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -0.108 7.350 -5.126 1.00 0.00 H new ATOM 0 HG3 ARG A 125 1.367 6.434 -5.359 1.00 0.00 H new ATOM 0 HD2 ARG A 125 2.069 8.532 -4.490 1.00 0.00 H new ATOM 0 HD3 ARG A 125 2.452 8.591 -6.199 1.00 0.00 H new ATOM 0 HE ARG A 125 -0.141 9.673 -5.949 1.00 0.00 H new ATOM 0 HH11 ARG A 125 3.130 10.355 -4.809 1.00 0.00 H new ATOM 0 HH12 ARG A 125 2.859 12.099 -4.718 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -0.481 11.913 -5.829 1.00 0.00 H new ATOM 0 HH22 ARG A 125 0.824 12.977 -5.293 1.00 0.00 H new ATOM 470 N ILE A 126 0.234 4.940 -9.658 1.00 0.00 N ATOM 471 CA ILE A 126 0.081 4.747 -11.095 1.00 0.00 C ATOM 472 C ILE A 126 -1.145 3.895 -11.407 1.00 0.00 C ATOM 473 O ILE A 126 -1.775 4.054 -12.454 1.00 0.00 O ATOM 474 CB ILE A 126 1.325 4.079 -11.709 1.00 0.00 C ATOM 475 CG1 ILE A 126 1.287 2.567 -11.477 1.00 0.00 C ATOM 476 CG2 ILE A 126 2.593 4.679 -11.119 1.00 0.00 C ATOM 477 CD1 ILE A 126 2.558 1.860 -11.890 1.00 0.00 C ATOM 0 H ILE A 126 1.015 4.431 -9.245 1.00 0.00 H new ATOM 0 HA ILE A 126 -0.044 5.736 -11.535 1.00 0.00 H new ATOM 0 HB ILE A 126 1.324 4.262 -12.783 1.00 0.00 H new ATOM 0 HG12 ILE A 126 1.101 2.374 -10.420 1.00 0.00 H new ATOM 0 HG13 ILE A 126 0.449 2.144 -12.031 1.00 0.00 H new ATOM 0 HG21 ILE A 126 3.464 4.197 -11.563 1.00 0.00 H new ATOM 0 HG22 ILE A 126 2.623 5.748 -11.331 1.00 0.00 H new ATOM 0 HG23 ILE A 126 2.602 4.523 -10.040 1.00 0.00 H new ATOM 0 HD11 ILE A 126 2.459 0.792 -11.697 1.00 0.00 H new ATOM 0 HD12 ILE A 126 2.735 2.022 -12.953 1.00 0.00 H new ATOM 0 HD13 ILE A 126 3.397 2.256 -11.318 1.00 0.00 H new ATOM 489 N HIS A 127 -1.481 2.992 -10.492 1.00 0.00 N ATOM 490 CA HIS A 127 -2.634 2.116 -10.668 1.00 0.00 C ATOM 491 C HIS A 127 -3.931 2.856 -10.353 1.00 0.00 C ATOM 492 O HIS A 127 -4.865 2.862 -11.155 1.00 0.00 O ATOM 493 CB HIS A 127 -2.506 0.883 -9.773 1.00 0.00 C ATOM 494 CG HIS A 127 -1.437 -0.069 -10.214 1.00 0.00 C ATOM 495 ND1 HIS A 127 -1.540 -0.843 -11.351 1.00 0.00 N ATOM 496 CD2 HIS A 127 -0.236 -0.368 -9.665 1.00 0.00 C ATOM 497 CE1 HIS A 127 -0.451 -1.578 -11.481 1.00 0.00 C ATOM 498 NE2 HIS A 127 0.357 -1.308 -10.471 1.00 0.00 N ATOM 0 H HIS A 127 -0.971 2.847 -9.621 1.00 0.00 H new ATOM 0 HA HIS A 127 -2.662 1.797 -11.710 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -2.296 1.205 -8.753 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -3.462 0.359 -9.752 1.00 0.00 H new ATOM 0 HD1 HIS A 127 -2.334 -0.847 -11.992 1.00 0.00 H new ATOM 0 HD2 HIS A 127 0.178 0.054 -8.761 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -0.254 -2.280 -12.277 1.00 0.00 H new ATOM 506 N THR A 128 -3.981 3.478 -9.179 1.00 0.00 N ATOM 507 CA THR A 128 -5.164 4.219 -8.758 1.00 0.00 C ATOM 508 C THR A 128 -5.833 4.908 -9.942 1.00 0.00 C ATOM 509 O THR A 128 -5.161 5.465 -10.809 1.00 0.00 O ATOM 510 CB THR A 128 -4.814 5.276 -7.694 1.00 0.00 C ATOM 511 OG1 THR A 128 -3.950 6.270 -8.256 1.00 0.00 O ATOM 512 CG2 THR A 128 -4.140 4.632 -6.491 1.00 0.00 C ATOM 0 H THR A 128 -3.217 3.483 -8.503 1.00 0.00 H new ATOM 0 HA THR A 128 -5.854 3.494 -8.327 1.00 0.00 H new ATOM 0 HB THR A 128 -5.740 5.746 -7.363 1.00 0.00 H new ATOM 0 HG1 THR A 128 -3.150 5.839 -8.623 1.00 0.00 H new ATOM 0 HG21 THR A 128 -3.902 5.399 -5.753 1.00 0.00 H new ATOM 0 HG22 THR A 128 -4.812 3.897 -6.047 1.00 0.00 H new ATOM 0 HG23 THR A 128 -3.222 4.138 -6.809 1.00 0.00 H new ATOM 520 N GLY A 129 -7.161 4.866 -9.971 1.00 0.00 N ATOM 521 CA GLY A 129 -7.899 5.491 -11.054 1.00 0.00 C ATOM 522 C GLY A 129 -8.459 6.845 -10.668 1.00 0.00 C ATOM 523 O GLY A 129 -9.662 6.986 -10.448 1.00 0.00 O ATOM 0 H GLY A 129 -7.739 4.411 -9.265 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -7.244 5.605 -11.918 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -8.716 4.837 -11.358 1.00 0.00 H new ATOM 527 N GLU A 130 -7.585 7.843 -10.583 1.00 0.00 N ATOM 528 CA GLU A 130 -8.001 9.193 -10.218 1.00 0.00 C ATOM 529 C GLU A 130 -7.039 10.231 -10.789 1.00 0.00 C ATOM 530 O GLU A 130 -5.821 10.056 -10.747 1.00 0.00 O ATOM 531 CB GLU A 130 -8.076 9.333 -8.696 1.00 0.00 C ATOM 532 CG GLU A 130 -6.717 9.326 -8.017 1.00 0.00 C ATOM 533 CD GLU A 130 -6.789 8.876 -6.571 1.00 0.00 C ATOM 534 OE1 GLU A 130 -7.181 7.716 -6.329 1.00 0.00 O ATOM 535 OE2 GLU A 130 -6.454 9.686 -5.680 1.00 0.00 O ATOM 0 H GLU A 130 -6.586 7.743 -10.762 1.00 0.00 H new ATOM 0 HA GLU A 130 -8.990 9.368 -10.641 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -8.591 10.262 -8.450 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -8.678 8.518 -8.294 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -6.044 8.667 -8.566 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -6.288 10.327 -8.061 1.00 0.00 H new ATOM 542 N LYS A 131 -7.596 11.313 -11.323 1.00 0.00 N ATOM 543 CA LYS A 131 -6.790 12.382 -11.902 1.00 0.00 C ATOM 544 C LYS A 131 -7.088 13.716 -11.226 1.00 0.00 C ATOM 545 O LYS A 131 -7.957 14.467 -11.670 1.00 0.00 O ATOM 546 CB LYS A 131 -7.054 12.489 -13.406 1.00 0.00 C ATOM 547 CG LYS A 131 -5.880 13.049 -14.190 1.00 0.00 C ATOM 548 CD LYS A 131 -6.332 13.673 -15.500 1.00 0.00 C ATOM 549 CE LYS A 131 -5.149 13.998 -16.400 1.00 0.00 C ATOM 550 NZ LYS A 131 -4.603 15.356 -16.130 1.00 0.00 N ATOM 0 H LYS A 131 -8.602 11.473 -11.367 1.00 0.00 H new ATOM 0 HA LYS A 131 -5.740 12.140 -11.740 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -7.302 11.501 -13.794 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -7.925 13.123 -13.569 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -5.363 13.797 -13.589 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -5.164 12.253 -14.393 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -7.006 12.990 -16.016 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -6.896 14.583 -15.295 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -4.365 13.255 -16.251 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -5.458 13.932 -17.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -3.799 15.539 -16.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -5.343 16.067 -16.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -4.285 15.412 -15.141 1.00 0.00 H new ATOM 564 N SER A 132 -6.362 14.005 -10.151 1.00 0.00 N ATOM 565 CA SER A 132 -6.551 15.248 -9.412 1.00 0.00 C ATOM 566 C SER A 132 -8.035 15.530 -9.194 1.00 0.00 C ATOM 567 O SER A 132 -8.482 16.672 -9.289 1.00 0.00 O ATOM 568 CB SER A 132 -5.904 16.414 -10.161 1.00 0.00 C ATOM 569 OG SER A 132 -4.499 16.249 -10.246 1.00 0.00 O ATOM 0 H SER A 132 -5.637 13.395 -9.772 1.00 0.00 H new ATOM 0 HA SER A 132 -6.072 15.140 -8.439 1.00 0.00 H new ATOM 0 HB2 SER A 132 -6.326 16.485 -11.163 1.00 0.00 H new ATOM 0 HB3 SER A 132 -6.133 17.350 -9.651 1.00 0.00 H new ATOM 0 HG SER A 132 -4.109 17.006 -10.731 1.00 0.00 H new ATOM 575 N GLY A 133 -8.793 14.478 -8.900 1.00 0.00 N ATOM 576 CA GLY A 133 -10.218 14.632 -8.672 1.00 0.00 C ATOM 577 C GLY A 133 -10.572 14.650 -7.198 1.00 0.00 C ATOM 578 O GLY A 133 -9.736 14.937 -6.341 1.00 0.00 O ATOM 0 H GLY A 133 -8.446 13.523 -8.816 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -10.559 15.558 -9.135 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -10.751 13.816 -9.160 1.00 0.00 H new ATOM 582 N PRO A 134 -11.838 14.339 -6.885 1.00 0.00 N ATOM 583 CA PRO A 134 -12.330 14.315 -5.504 1.00 0.00 C ATOM 584 C PRO A 134 -11.744 13.159 -4.701 1.00 0.00 C ATOM 585 O PRO A 134 -10.961 12.363 -5.220 1.00 0.00 O ATOM 586 CB PRO A 134 -13.841 14.140 -5.669 1.00 0.00 C ATOM 587 CG PRO A 134 -14.004 13.471 -6.989 1.00 0.00 C ATOM 588 CD PRO A 134 -12.888 13.987 -7.855 1.00 0.00 C ATOM 0 HA PRO A 134 -12.049 15.214 -4.955 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -14.259 13.535 -4.865 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -14.355 15.101 -5.646 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -13.949 12.387 -6.887 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -14.976 13.701 -7.426 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -12.545 13.231 -8.561 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -13.201 14.852 -8.440 1.00 0.00 H new ATOM 596 N SER A 135 -12.129 13.071 -3.432 1.00 0.00 N ATOM 597 CA SER A 135 -11.639 12.013 -2.556 1.00 0.00 C ATOM 598 C SER A 135 -12.392 10.710 -2.804 1.00 0.00 C ATOM 599 O SER A 135 -13.610 10.708 -2.984 1.00 0.00 O ATOM 600 CB SER A 135 -11.784 12.428 -1.090 1.00 0.00 C ATOM 601 OG SER A 135 -11.278 11.426 -0.224 1.00 0.00 O ATOM 0 H SER A 135 -12.779 13.720 -2.987 1.00 0.00 H new ATOM 0 HA SER A 135 -10.584 11.851 -2.778 1.00 0.00 H new ATOM 0 HB2 SER A 135 -11.251 13.364 -0.919 1.00 0.00 H new ATOM 0 HB3 SER A 135 -12.834 12.613 -0.863 1.00 0.00 H new ATOM 0 HG SER A 135 -11.381 11.716 0.707 1.00 0.00 H new ATOM 607 N SER A 136 -11.658 9.602 -2.812 1.00 0.00 N ATOM 608 CA SER A 136 -12.255 8.291 -3.042 1.00 0.00 C ATOM 609 C SER A 136 -13.138 7.883 -1.867 1.00 0.00 C ATOM 610 O SER A 136 -12.734 7.979 -0.709 1.00 0.00 O ATOM 611 CB SER A 136 -11.163 7.242 -3.263 1.00 0.00 C ATOM 612 OG SER A 136 -10.353 7.098 -2.109 1.00 0.00 O ATOM 0 H SER A 136 -10.649 9.586 -2.662 1.00 0.00 H new ATOM 0 HA SER A 136 -12.876 8.353 -3.936 1.00 0.00 H new ATOM 0 HB2 SER A 136 -11.620 6.284 -3.512 1.00 0.00 H new ATOM 0 HB3 SER A 136 -10.544 7.531 -4.112 1.00 0.00 H new ATOM 0 HG SER A 136 -10.872 7.339 -1.313 1.00 0.00 H new ATOM 618 N GLY A 137 -14.348 7.425 -2.175 1.00 0.00 N ATOM 619 CA GLY A 137 -15.271 7.009 -1.135 1.00 0.00 C ATOM 620 C GLY A 137 -14.599 6.170 -0.066 1.00 0.00 C ATOM 621 O GLY A 137 -14.039 6.704 0.891 1.00 0.00 O ATOM 0 H GLY A 137 -14.705 7.335 -3.126 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -15.716 7.891 -0.674 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -16.085 6.438 -1.582 1.00 0.00 H new TER 625 GLY A 137 HETATM 626 ZN ZN A 201 2.074 -1.875 -9.575 1.00 0.00 ZN