USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 518 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= 0.662 K(o=0.66,f=-6.1!) USER MOD Single : A 95 HIS : no HE2:sc= 0.27 K(o=0.27,f=-1.8) USER MOD Single : A 102 HIS : no HE2:sc= -3.34 K(o=-3.3,f=-5.6) USER MOD Single : A 105 ASN : amide:sc= -2.95! C(o=-2.9!,f=-12!) USER MOD Single : A 107 HIS : no HD1:sc= 0.187 K(o=0.19,f=-5.2!) USER MOD Single : A 108 LYS NZ :NH3+ 170:sc= 0.718 (180deg=0.692) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 145:sc= 0.621 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc=-0.00533 USER MOD Single : A 124 MET CE :methyl 154:sc= -1.71 (180deg=-3.63!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot -2:sc= 0.77 USER MOD Single : A 131 LYS NZ :NH3+ -151:sc= 0.63 (180deg=0.271) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -0.0393 K(o=-0.039,f=-2.2) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 75 14.319 4.250 4.528 1.00 0.00 N ATOM 2 CA GLY A 75 13.381 4.843 5.503 1.00 0.00 C ATOM 3 C GLY A 75 11.940 4.556 5.139 1.00 0.00 C ATOM 4 O GLY A 75 11.683 3.744 4.252 1.00 0.00 O ATOM 0 HA2 GLY A 75 13.591 4.448 6.497 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.537 5.921 5.549 1.00 0.00 H new ATOM 10 N PRO A 76 10.970 5.211 5.807 1.00 0.00 N ATOM 11 CA PRO A 76 9.547 5.018 5.523 1.00 0.00 C ATOM 12 C PRO A 76 9.190 5.512 4.126 1.00 0.00 C ATOM 13 O PRO A 76 9.029 6.721 3.895 1.00 0.00 O ATOM 14 CB PRO A 76 8.832 5.859 6.593 1.00 0.00 C ATOM 15 CG PRO A 76 9.877 6.157 7.617 1.00 0.00 C ATOM 16 CD PRO A 76 11.181 6.183 6.881 1.00 0.00 C ATOM 0 HA PRO A 76 9.261 3.967 5.551 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.425 6.776 6.167 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.996 5.313 7.030 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.685 7.113 8.104 1.00 0.00 H new ATOM 0 HG3 PRO A 76 9.885 5.397 8.399 1.00 0.00 H new ATOM 0 HD2 PRO A 76 11.404 7.175 6.489 1.00 0.00 H new ATOM 0 HD3 PRO A 76 12.014 5.900 7.525 1.00 0.00 H new ATOM 24 N LEU A 77 9.094 4.584 3.200 1.00 0.00 N ATOM 25 CA LEU A 77 8.806 4.904 1.820 1.00 0.00 C ATOM 26 C LEU A 77 7.309 5.070 1.594 1.00 0.00 C ATOM 27 O LEU A 77 6.495 4.721 2.453 1.00 0.00 O ATOM 28 CB LEU A 77 9.373 3.820 0.897 1.00 0.00 C ATOM 29 CG LEU A 77 10.889 3.599 0.986 1.00 0.00 C ATOM 30 CD1 LEU A 77 11.316 2.435 0.113 1.00 0.00 C ATOM 31 CD2 LEU A 77 11.642 4.862 0.593 1.00 0.00 C ATOM 0 H LEU A 77 9.213 3.588 3.382 1.00 0.00 H new ATOM 0 HA LEU A 77 9.285 5.854 1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.873 2.878 1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.121 4.076 -0.132 1.00 0.00 H new ATOM 0 HG LEU A 77 11.134 3.360 2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.394 2.297 0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.809 1.528 0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.052 2.642 -0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.715 4.683 0.663 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.386 5.135 -0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.365 5.675 1.265 1.00 0.00 H new ATOM 43 N GLY A 78 6.962 5.602 0.444 1.00 0.00 N ATOM 44 CA GLY A 78 5.572 5.825 0.109 1.00 0.00 C ATOM 45 C GLY A 78 5.334 5.754 -1.383 1.00 0.00 C ATOM 46 O GLY A 78 4.259 5.364 -1.830 1.00 0.00 O ATOM 0 H GLY A 78 7.624 5.889 -0.277 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.953 5.081 0.611 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.261 6.801 0.480 1.00 0.00 H new ATOM 50 N SER A 79 6.341 6.142 -2.155 1.00 0.00 N ATOM 51 CA SER A 79 6.248 6.096 -3.599 1.00 0.00 C ATOM 52 C SER A 79 6.363 4.655 -4.088 1.00 0.00 C ATOM 53 O SER A 79 5.713 4.267 -5.056 1.00 0.00 O ATOM 54 CB SER A 79 7.355 6.940 -4.219 1.00 0.00 C ATOM 55 OG SER A 79 7.471 8.197 -3.560 1.00 0.00 O ATOM 0 H SER A 79 7.231 6.492 -1.800 1.00 0.00 H new ATOM 0 HA SER A 79 5.280 6.497 -3.901 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.303 6.405 -4.157 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.147 7.098 -5.277 1.00 0.00 H new ATOM 0 HG SER A 79 8.189 8.719 -3.975 1.00 0.00 H new ATOM 61 N ASP A 80 7.190 3.867 -3.401 1.00 0.00 N ATOM 62 CA ASP A 80 7.419 2.472 -3.761 1.00 0.00 C ATOM 63 C ASP A 80 7.987 1.710 -2.575 1.00 0.00 C ATOM 64 O ASP A 80 9.144 1.895 -2.209 1.00 0.00 O ATOM 65 CB ASP A 80 8.390 2.361 -4.947 1.00 0.00 C ATOM 66 CG ASP A 80 8.726 0.918 -5.300 1.00 0.00 C ATOM 67 OD1 ASP A 80 7.932 0.273 -6.010 1.00 0.00 O ATOM 68 OD2 ASP A 80 9.794 0.425 -4.877 1.00 0.00 O ATOM 0 H ASP A 80 7.716 4.177 -2.584 1.00 0.00 H new ATOM 0 HA ASP A 80 6.461 2.040 -4.049 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.952 2.851 -5.817 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.310 2.896 -4.709 1.00 0.00 H new ATOM 73 N LEU A 81 7.162 0.908 -1.948 1.00 0.00 N ATOM 74 CA LEU A 81 7.618 0.069 -0.850 1.00 0.00 C ATOM 75 C LEU A 81 7.448 -1.390 -1.205 1.00 0.00 C ATOM 76 O LEU A 81 6.405 -1.792 -1.691 1.00 0.00 O ATOM 77 CB LEU A 81 6.859 0.372 0.447 1.00 0.00 C ATOM 78 CG LEU A 81 7.350 -0.406 1.679 1.00 0.00 C ATOM 79 CD1 LEU A 81 8.736 0.056 2.094 1.00 0.00 C ATOM 80 CD2 LEU A 81 6.371 -0.282 2.833 1.00 0.00 C ATOM 0 H LEU A 81 6.172 0.813 -2.173 1.00 0.00 H new ATOM 0 HA LEU A 81 8.673 0.288 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.935 1.439 0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.803 0.152 0.293 1.00 0.00 H new ATOM 0 HG LEU A 81 7.411 -1.459 1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.061 -0.509 2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.435 -0.109 1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.708 1.118 2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.745 -0.843 3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.261 0.768 3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.402 -0.682 2.533 1.00 0.00 H new ATOM 92 N ILE A 82 8.469 -2.180 -0.977 1.00 0.00 N ATOM 93 CA ILE A 82 8.385 -3.590 -1.260 1.00 0.00 C ATOM 94 C ILE A 82 8.085 -4.350 0.020 1.00 0.00 C ATOM 95 O ILE A 82 8.575 -3.984 1.093 1.00 0.00 O ATOM 96 CB ILE A 82 9.684 -4.135 -1.882 1.00 0.00 C ATOM 97 CG1 ILE A 82 10.224 -3.171 -2.928 1.00 0.00 C ATOM 98 CG2 ILE A 82 9.419 -5.483 -2.521 1.00 0.00 C ATOM 99 CD1 ILE A 82 11.537 -3.609 -3.527 1.00 0.00 C ATOM 0 H ILE A 82 9.364 -1.871 -0.598 1.00 0.00 H new ATOM 0 HA ILE A 82 7.583 -3.732 -1.984 1.00 0.00 H new ATOM 0 HB ILE A 82 10.427 -4.245 -1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 82 9.488 -3.062 -3.725 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.350 -2.188 -2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 82 10.341 -5.865 -2.960 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.061 -6.181 -1.764 1.00 0.00 H new ATOM 0 HG23 ILE A 82 8.664 -5.374 -3.300 1.00 0.00 H new ATOM 0 HD11 ILE A 82 11.863 -2.876 -4.264 1.00 0.00 H new ATOM 0 HD12 ILE A 82 12.287 -3.690 -2.740 1.00 0.00 H new ATOM 0 HD13 ILE A 82 11.411 -4.578 -4.010 1.00 0.00 H new ATOM 111 N VAL A 83 7.304 -5.407 -0.088 1.00 0.00 N ATOM 112 CA VAL A 83 6.905 -6.191 1.065 1.00 0.00 C ATOM 113 C VAL A 83 6.996 -7.677 0.750 1.00 0.00 C ATOM 114 O VAL A 83 7.067 -8.072 -0.418 1.00 0.00 O ATOM 115 CB VAL A 83 5.456 -5.858 1.511 1.00 0.00 C ATOM 116 CG1 VAL A 83 5.366 -4.444 2.068 1.00 0.00 C ATOM 117 CG2 VAL A 83 4.483 -6.037 0.349 1.00 0.00 C ATOM 0 H VAL A 83 6.929 -5.746 -0.974 1.00 0.00 H new ATOM 0 HA VAL A 83 7.586 -5.939 1.878 1.00 0.00 H new ATOM 0 HB VAL A 83 5.181 -6.552 2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.340 -4.238 2.373 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.026 -4.350 2.930 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.667 -3.731 1.301 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.472 -5.799 0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.764 -5.370 -0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.517 -7.070 0.002 1.00 0.00 H new ATOM 127 N HIS A 84 7.004 -8.488 1.789 1.00 0.00 N ATOM 128 CA HIS A 84 7.049 -9.932 1.634 1.00 0.00 C ATOM 129 C HIS A 84 5.647 -10.509 1.663 1.00 0.00 C ATOM 130 O HIS A 84 4.952 -10.431 2.677 1.00 0.00 O ATOM 131 CB HIS A 84 7.911 -10.582 2.724 1.00 0.00 C ATOM 132 CG HIS A 84 9.388 -10.447 2.498 1.00 0.00 C ATOM 133 ND1 HIS A 84 10.242 -11.530 2.442 1.00 0.00 N ATOM 134 CD2 HIS A 84 10.166 -9.352 2.318 1.00 0.00 C ATOM 135 CE1 HIS A 84 11.476 -11.106 2.237 1.00 0.00 C ATOM 136 NE2 HIS A 84 11.456 -9.790 2.159 1.00 0.00 N ATOM 0 H HIS A 84 6.980 -8.170 2.758 1.00 0.00 H new ATOM 0 HA HIS A 84 7.504 -10.151 0.668 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.659 -10.135 3.686 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.659 -11.641 2.788 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.832 -8.325 2.303 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.352 -11.731 2.148 1.00 0.00 H new ATOM 0 HE2 HIS A 84 12.269 -9.194 2.005 1.00 0.00 H new ATOM 145 N GLU A 85 5.239 -11.079 0.555 1.00 0.00 N ATOM 146 CA GLU A 85 3.918 -11.654 0.424 1.00 0.00 C ATOM 147 C GLU A 85 4.041 -13.070 -0.106 1.00 0.00 C ATOM 148 O GLU A 85 4.364 -13.277 -1.278 1.00 0.00 O ATOM 149 CB GLU A 85 3.098 -10.800 -0.527 1.00 0.00 C ATOM 150 CG GLU A 85 1.615 -10.922 -0.373 1.00 0.00 C ATOM 151 CD GLU A 85 0.934 -9.731 -0.973 1.00 0.00 C ATOM 152 OE1 GLU A 85 0.827 -8.711 -0.272 1.00 0.00 O ATOM 153 OE2 GLU A 85 0.529 -9.791 -2.161 1.00 0.00 O ATOM 0 H GLU A 85 5.813 -11.158 -0.284 1.00 0.00 H new ATOM 0 HA GLU A 85 3.420 -11.683 1.393 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.377 -9.756 -0.386 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.364 -11.065 -1.550 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.265 -11.833 -0.858 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.357 -11.004 0.683 1.00 0.00 H new ATOM 160 N GLY A 86 3.816 -14.041 0.761 1.00 0.00 N ATOM 161 CA GLY A 86 3.970 -15.423 0.368 1.00 0.00 C ATOM 162 C GLY A 86 5.419 -15.741 0.082 1.00 0.00 C ATOM 163 O GLY A 86 5.734 -16.590 -0.753 1.00 0.00 O ATOM 0 H GLY A 86 3.530 -13.898 1.729 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.599 -16.074 1.160 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.367 -15.623 -0.518 1.00 0.00 H new ATOM 167 N GLY A 87 6.302 -15.034 0.774 1.00 0.00 N ATOM 168 CA GLY A 87 7.721 -15.206 0.579 1.00 0.00 C ATOM 169 C GLY A 87 8.260 -14.369 -0.568 1.00 0.00 C ATOM 170 O GLY A 87 9.443 -14.050 -0.604 1.00 0.00 O ATOM 0 H GLY A 87 6.052 -14.336 1.475 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.245 -14.938 1.497 1.00 0.00 H new ATOM 0 HA3 GLY A 87 7.932 -16.258 0.387 1.00 0.00 H new ATOM 174 N LYS A 88 7.390 -13.997 -1.493 1.00 0.00 N ATOM 175 CA LYS A 88 7.801 -13.236 -2.662 1.00 0.00 C ATOM 176 C LYS A 88 7.680 -11.739 -2.413 1.00 0.00 C ATOM 177 O LYS A 88 6.800 -11.291 -1.681 1.00 0.00 O ATOM 178 CB LYS A 88 6.967 -13.638 -3.880 1.00 0.00 C ATOM 179 CG LYS A 88 7.017 -15.125 -4.204 1.00 0.00 C ATOM 180 CD LYS A 88 8.432 -15.585 -4.511 1.00 0.00 C ATOM 181 CE LYS A 88 8.473 -17.073 -4.810 1.00 0.00 C ATOM 182 NZ LYS A 88 9.846 -17.537 -5.125 1.00 0.00 N ATOM 0 H LYS A 88 6.393 -14.210 -1.457 1.00 0.00 H new ATOM 0 HA LYS A 88 8.848 -13.464 -2.860 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.930 -13.349 -3.708 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.315 -13.076 -4.747 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.624 -15.695 -3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.373 -15.333 -5.058 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.821 -15.029 -5.364 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.081 -15.364 -3.664 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.091 -17.626 -3.952 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.814 -17.293 -5.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.831 -18.558 -5.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.202 -17.028 -5.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.470 -17.351 -4.314 1.00 0.00 H new ATOM 196 N THR A 89 8.574 -10.981 -3.008 1.00 0.00 N ATOM 197 CA THR A 89 8.575 -9.543 -2.868 1.00 0.00 C ATOM 198 C THR A 89 7.583 -8.886 -3.820 1.00 0.00 C ATOM 199 O THR A 89 7.618 -9.125 -5.029 1.00 0.00 O ATOM 200 CB THR A 89 9.974 -8.983 -3.146 1.00 0.00 C ATOM 201 OG1 THR A 89 10.786 -9.993 -3.772 1.00 0.00 O ATOM 202 CG2 THR A 89 10.631 -8.506 -1.863 1.00 0.00 C ATOM 0 H THR A 89 9.320 -11.344 -3.602 1.00 0.00 H new ATOM 0 HA THR A 89 8.279 -9.318 -1.844 1.00 0.00 H new ATOM 0 HB THR A 89 9.879 -8.129 -3.817 1.00 0.00 H new ATOM 0 HG1 THR A 89 11.679 -9.631 -3.950 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.623 -8.113 -2.086 1.00 0.00 H new ATOM 0 HG22 THR A 89 10.023 -7.722 -1.413 1.00 0.00 H new ATOM 0 HG23 THR A 89 10.720 -9.341 -1.168 1.00 0.00 H new ATOM 210 N TYR A 90 6.698 -8.073 -3.277 1.00 0.00 N ATOM 211 CA TYR A 90 5.741 -7.331 -4.076 1.00 0.00 C ATOM 212 C TYR A 90 5.855 -5.854 -3.781 1.00 0.00 C ATOM 213 O TYR A 90 6.106 -5.462 -2.643 1.00 0.00 O ATOM 214 CB TYR A 90 4.317 -7.816 -3.817 1.00 0.00 C ATOM 215 CG TYR A 90 4.019 -9.135 -4.469 1.00 0.00 C ATOM 216 CD1 TYR A 90 4.308 -10.325 -3.829 1.00 0.00 C ATOM 217 CD2 TYR A 90 3.465 -9.188 -5.737 1.00 0.00 C ATOM 218 CE1 TYR A 90 4.057 -11.533 -4.433 1.00 0.00 C ATOM 219 CE2 TYR A 90 3.204 -10.393 -6.349 1.00 0.00 C ATOM 220 CZ TYR A 90 3.504 -11.565 -5.694 1.00 0.00 C ATOM 221 OH TYR A 90 3.263 -12.768 -6.306 1.00 0.00 O ATOM 0 H TYR A 90 6.622 -7.908 -2.273 1.00 0.00 H new ATOM 0 HA TYR A 90 5.968 -7.502 -5.128 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.159 -7.904 -2.742 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.612 -7.069 -4.182 1.00 0.00 H new ATOM 0 HD1 TYR A 90 4.738 -10.305 -2.838 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.234 -8.269 -6.254 1.00 0.00 H new ATOM 0 HE1 TYR A 90 4.292 -12.454 -3.921 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.767 -10.418 -7.336 1.00 0.00 H new ATOM 0 HH TYR A 90 2.870 -12.612 -7.190 1.00 0.00 H new ATOM 231 N HIS A 91 5.687 -5.045 -4.800 1.00 0.00 N ATOM 232 CA HIS A 91 5.801 -3.603 -4.661 1.00 0.00 C ATOM 233 C HIS A 91 4.463 -2.970 -4.317 1.00 0.00 C ATOM 234 O HIS A 91 3.407 -3.450 -4.731 1.00 0.00 O ATOM 235 CB HIS A 91 6.341 -2.969 -5.948 1.00 0.00 C ATOM 236 CG HIS A 91 7.793 -3.219 -6.202 1.00 0.00 C ATOM 237 ND1 HIS A 91 8.722 -2.208 -6.272 1.00 0.00 N ATOM 238 CD2 HIS A 91 8.473 -4.366 -6.433 1.00 0.00 C ATOM 239 CE1 HIS A 91 9.907 -2.713 -6.536 1.00 0.00 C ATOM 240 NE2 HIS A 91 9.785 -4.020 -6.638 1.00 0.00 N ATOM 0 H HIS A 91 5.469 -5.360 -5.745 1.00 0.00 H new ATOM 0 HA HIS A 91 6.499 -3.416 -3.845 1.00 0.00 H new ATOM 0 HB2 HIS A 91 5.767 -3.349 -6.793 1.00 0.00 H new ATOM 0 HB3 HIS A 91 6.173 -1.893 -5.906 1.00 0.00 H new ATOM 0 HD1 HIS A 91 8.522 -1.217 -6.139 1.00 0.00 H new ATOM 0 HD2 HIS A 91 8.061 -5.364 -6.452 1.00 0.00 H new ATOM 0 HE1 HIS A 91 10.823 -2.152 -6.650 1.00 0.00 H new ATOM 249 N VAL A 92 4.521 -1.913 -3.540 1.00 0.00 N ATOM 250 CA VAL A 92 3.359 -1.131 -3.188 1.00 0.00 C ATOM 251 C VAL A 92 3.569 0.292 -3.662 1.00 0.00 C ATOM 252 O VAL A 92 4.518 0.963 -3.240 1.00 0.00 O ATOM 253 CB VAL A 92 3.115 -1.113 -1.666 1.00 0.00 C ATOM 254 CG1 VAL A 92 1.853 -0.334 -1.332 1.00 0.00 C ATOM 255 CG2 VAL A 92 3.043 -2.524 -1.108 1.00 0.00 C ATOM 0 H VAL A 92 5.389 -1.568 -3.129 1.00 0.00 H new ATOM 0 HA VAL A 92 2.490 -1.585 -3.665 1.00 0.00 H new ATOM 0 HB VAL A 92 3.960 -0.610 -1.196 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.700 -0.334 -0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.955 0.693 -1.684 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.997 -0.801 -1.820 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.870 -2.482 -0.033 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.225 -3.063 -1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.982 -3.041 -1.304 1.00 0.00 H new ATOM 265 N VAL A 93 2.707 0.741 -4.536 1.00 0.00 N ATOM 266 CA VAL A 93 2.811 2.069 -5.109 1.00 0.00 C ATOM 267 C VAL A 93 1.472 2.785 -5.008 1.00 0.00 C ATOM 268 O VAL A 93 0.423 2.198 -5.289 1.00 0.00 O ATOM 269 CB VAL A 93 3.245 2.011 -6.604 1.00 0.00 C ATOM 270 CG1 VAL A 93 3.363 3.409 -7.198 1.00 0.00 C ATOM 271 CG2 VAL A 93 4.558 1.252 -6.759 1.00 0.00 C ATOM 0 H VAL A 93 1.911 0.201 -4.875 1.00 0.00 H new ATOM 0 HA VAL A 93 3.570 2.613 -4.547 1.00 0.00 H new ATOM 0 HB VAL A 93 2.471 1.475 -7.153 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.667 3.336 -8.242 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.399 3.913 -7.135 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.107 3.979 -6.642 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.840 1.225 -7.811 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.338 1.754 -6.187 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.435 0.234 -6.390 1.00 0.00 H new ATOM 281 N CYS A 94 1.500 4.042 -4.607 1.00 0.00 N ATOM 282 CA CYS A 94 0.289 4.824 -4.503 1.00 0.00 C ATOM 283 C CYS A 94 0.349 6.029 -5.425 1.00 0.00 C ATOM 284 O CYS A 94 1.165 6.934 -5.236 1.00 0.00 O ATOM 285 CB CYS A 94 0.043 5.265 -3.059 1.00 0.00 C ATOM 286 SG CYS A 94 -0.377 3.903 -1.921 1.00 0.00 S ATOM 0 H CYS A 94 2.351 4.541 -4.348 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.546 4.194 -4.811 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.935 5.771 -2.689 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -0.766 5.996 -3.047 1.00 0.00 H new ATOM 291 N HIS A 95 -0.505 6.029 -6.432 1.00 0.00 N ATOM 292 CA HIS A 95 -0.563 7.123 -7.395 1.00 0.00 C ATOM 293 C HIS A 95 -1.579 8.161 -6.950 1.00 0.00 C ATOM 294 O HIS A 95 -1.500 9.332 -7.329 1.00 0.00 O ATOM 295 CB HIS A 95 -0.935 6.582 -8.785 1.00 0.00 C ATOM 296 CG HIS A 95 -1.067 7.638 -9.852 1.00 0.00 C ATOM 297 ND1 HIS A 95 -2.275 7.997 -10.412 1.00 0.00 N ATOM 298 CD2 HIS A 95 -0.131 8.401 -10.469 1.00 0.00 C ATOM 299 CE1 HIS A 95 -2.077 8.928 -11.321 1.00 0.00 C ATOM 300 NE2 HIS A 95 -0.786 9.194 -11.378 1.00 0.00 N ATOM 0 H HIS A 95 -1.174 5.280 -6.608 1.00 0.00 H new ATOM 0 HA HIS A 95 0.418 7.595 -7.450 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -0.177 5.862 -9.096 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.878 6.040 -8.710 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -3.181 7.602 -10.161 1.00 0.00 H new ATOM 0 HD2 HIS A 95 0.932 8.387 -10.280 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -2.844 9.396 -11.920 1.00 0.00 H new ATOM 309 N GLU A 96 -2.503 7.729 -6.115 1.00 0.00 N ATOM 310 CA GLU A 96 -3.586 8.570 -5.647 1.00 0.00 C ATOM 311 C GLU A 96 -3.950 8.193 -4.223 1.00 0.00 C ATOM 312 O GLU A 96 -3.654 7.078 -3.776 1.00 0.00 O ATOM 313 CB GLU A 96 -4.798 8.445 -6.579 1.00 0.00 C ATOM 314 CG GLU A 96 -4.573 9.086 -7.943 1.00 0.00 C ATOM 315 CD GLU A 96 -5.581 8.663 -8.978 1.00 0.00 C ATOM 316 OE1 GLU A 96 -6.736 9.115 -8.908 1.00 0.00 O ATOM 317 OE2 GLU A 96 -5.211 7.871 -9.879 1.00 0.00 O ATOM 0 H GLU A 96 -2.524 6.780 -5.741 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.263 9.611 -5.656 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.037 7.390 -6.715 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.663 8.909 -6.105 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.607 10.170 -7.836 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.573 8.831 -8.295 1.00 0.00 H new ATOM 324 N GLU A 97 -4.566 9.111 -3.516 1.00 0.00 N ATOM 325 CA GLU A 97 -4.914 8.903 -2.135 1.00 0.00 C ATOM 326 C GLU A 97 -6.173 8.052 -2.012 1.00 0.00 C ATOM 327 O GLU A 97 -7.084 8.139 -2.845 1.00 0.00 O ATOM 328 CB GLU A 97 -5.092 10.251 -1.446 1.00 0.00 C ATOM 329 CG GLU A 97 -5.300 10.167 0.044 1.00 0.00 C ATOM 330 CD GLU A 97 -5.184 11.512 0.714 1.00 0.00 C ATOM 331 OE1 GLU A 97 -6.025 12.389 0.444 1.00 0.00 O ATOM 332 OE2 GLU A 97 -4.250 11.701 1.511 1.00 0.00 O ATOM 0 H GLU A 97 -4.839 10.022 -3.884 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.106 8.361 -1.643 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.213 10.865 -1.644 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -5.945 10.763 -1.891 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.284 9.746 0.248 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.566 9.485 0.473 1.00 0.00 H new ATOM 339 N GLY A 98 -6.217 7.236 -0.980 1.00 0.00 N ATOM 340 CA GLY A 98 -7.338 6.360 -0.777 1.00 0.00 C ATOM 341 C GLY A 98 -6.909 4.916 -0.641 1.00 0.00 C ATOM 342 O GLY A 98 -5.772 4.576 -0.970 1.00 0.00 O ATOM 0 H GLY A 98 -5.486 7.165 -0.272 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.878 6.664 0.119 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.030 6.456 -1.614 1.00 0.00 H new ATOM 346 N PRO A 99 -7.784 4.050 -0.125 1.00 0.00 N ATOM 347 CA PRO A 99 -7.487 2.631 0.037 1.00 0.00 C ATOM 348 C PRO A 99 -7.748 1.813 -1.239 1.00 0.00 C ATOM 349 O PRO A 99 -8.775 1.976 -1.904 1.00 0.00 O ATOM 350 CB PRO A 99 -8.448 2.216 1.145 1.00 0.00 C ATOM 351 CG PRO A 99 -9.640 3.100 0.963 1.00 0.00 C ATOM 352 CD PRO A 99 -9.129 4.394 0.377 1.00 0.00 C ATOM 0 HA PRO A 99 -6.435 2.454 0.261 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -8.719 1.164 1.061 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -8.000 2.352 2.129 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.370 2.635 0.300 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.141 3.276 1.915 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -9.775 4.752 -0.425 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -9.085 5.183 1.128 1.00 0.00 H new ATOM 360 N ILE A 100 -6.807 0.941 -1.566 1.00 0.00 N ATOM 361 CA ILE A 100 -6.913 0.046 -2.723 1.00 0.00 C ATOM 362 C ILE A 100 -6.318 -1.321 -2.375 1.00 0.00 C ATOM 363 O ILE A 100 -5.488 -1.406 -1.491 1.00 0.00 O ATOM 364 CB ILE A 100 -6.214 0.635 -3.993 1.00 0.00 C ATOM 365 CG1 ILE A 100 -4.946 1.438 -3.631 1.00 0.00 C ATOM 366 CG2 ILE A 100 -7.183 1.490 -4.802 1.00 0.00 C ATOM 367 CD1 ILE A 100 -3.751 0.590 -3.243 1.00 0.00 C ATOM 0 H ILE A 100 -5.942 0.829 -1.038 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.971 -0.063 -2.961 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.902 -0.208 -4.610 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.671 2.061 -4.482 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.181 2.110 -2.806 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.672 1.887 -5.679 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -8.029 0.880 -5.120 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.542 2.315 -4.186 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.907 1.238 -3.005 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.001 -0.014 -2.371 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.484 -0.064 -4.073 1.00 0.00 H new ATOM 379 N PRO A 101 -6.742 -2.409 -3.049 1.00 0.00 N ATOM 380 CA PRO A 101 -6.244 -3.761 -2.754 1.00 0.00 C ATOM 381 C PRO A 101 -4.774 -3.932 -3.125 1.00 0.00 C ATOM 382 O PRO A 101 -4.189 -3.086 -3.809 1.00 0.00 O ATOM 383 CB PRO A 101 -7.115 -4.661 -3.626 1.00 0.00 C ATOM 384 CG PRO A 101 -7.541 -3.784 -4.742 1.00 0.00 C ATOM 385 CD PRO A 101 -7.715 -2.418 -4.146 1.00 0.00 C ATOM 0 HA PRO A 101 -6.301 -3.989 -1.690 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.557 -5.525 -3.989 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.972 -5.045 -3.072 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -6.795 -3.772 -5.536 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.472 -4.139 -5.185 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.511 -1.632 -4.873 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.732 -2.262 -3.785 1.00 0.00 H new ATOM 393 N HIS A 102 -4.188 -5.034 -2.697 1.00 0.00 N ATOM 394 CA HIS A 102 -2.793 -5.297 -2.965 1.00 0.00 C ATOM 395 C HIS A 102 -2.653 -5.957 -4.333 1.00 0.00 C ATOM 396 O HIS A 102 -3.414 -6.866 -4.664 1.00 0.00 O ATOM 397 CB HIS A 102 -2.192 -6.198 -1.869 1.00 0.00 C ATOM 398 CG HIS A 102 -0.707 -6.044 -1.716 1.00 0.00 C ATOM 399 ND1 HIS A 102 0.214 -6.888 -2.297 1.00 0.00 N ATOM 400 CD2 HIS A 102 0.012 -5.106 -1.062 1.00 0.00 C ATOM 401 CE1 HIS A 102 1.432 -6.464 -2.016 1.00 0.00 C ATOM 402 NE2 HIS A 102 1.335 -5.387 -1.269 1.00 0.00 N ATOM 0 H HIS A 102 -4.661 -5.762 -2.161 1.00 0.00 H new ATOM 0 HA HIS A 102 -2.247 -4.354 -2.965 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -2.673 -5.970 -0.918 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -2.420 -7.239 -2.100 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -0.010 -7.711 -2.856 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -0.384 -4.285 -0.482 1.00 0.00 H new ATOM 0 HE1 HIS A 102 2.352 -6.924 -2.344 1.00 0.00 H new ATOM 411 N PRO A 103 -1.674 -5.507 -5.151 1.00 0.00 N ATOM 412 CA PRO A 103 -1.444 -6.053 -6.504 1.00 0.00 C ATOM 413 C PRO A 103 -1.175 -7.558 -6.477 1.00 0.00 C ATOM 414 O PRO A 103 -1.405 -8.267 -7.460 1.00 0.00 O ATOM 415 CB PRO A 103 -0.199 -5.290 -6.996 1.00 0.00 C ATOM 416 CG PRO A 103 0.421 -4.731 -5.761 1.00 0.00 C ATOM 417 CD PRO A 103 -0.718 -4.432 -4.835 1.00 0.00 C ATOM 0 HA PRO A 103 -2.314 -5.928 -7.149 1.00 0.00 H new ATOM 0 HB2 PRO A 103 0.490 -5.953 -7.519 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -0.471 -4.499 -7.695 1.00 0.00 H new ATOM 0 HG2 PRO A 103 1.113 -5.444 -5.313 1.00 0.00 H new ATOM 0 HG3 PRO A 103 0.992 -3.829 -5.983 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -0.409 -4.457 -3.790 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -1.142 -3.445 -5.018 1.00 0.00 H new ATOM 425 N GLY A 104 -0.680 -8.027 -5.347 1.00 0.00 N ATOM 426 CA GLY A 104 -0.417 -9.434 -5.177 1.00 0.00 C ATOM 427 C GLY A 104 -1.657 -10.189 -4.747 1.00 0.00 C ATOM 428 O GLY A 104 -2.174 -11.025 -5.490 1.00 0.00 O ATOM 0 H GLY A 104 -0.454 -7.450 -4.537 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.044 -9.850 -6.113 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.368 -9.570 -4.433 1.00 0.00 H new ATOM 432 N ASN A 105 -2.139 -9.898 -3.551 1.00 0.00 N ATOM 433 CA ASN A 105 -3.317 -10.563 -3.030 1.00 0.00 C ATOM 434 C ASN A 105 -4.413 -9.556 -2.623 1.00 0.00 C ATOM 435 O ASN A 105 -4.234 -8.748 -1.713 1.00 0.00 O ATOM 436 CB ASN A 105 -2.930 -11.492 -1.852 1.00 0.00 C ATOM 437 CG ASN A 105 -2.462 -10.763 -0.597 1.00 0.00 C ATOM 438 OD1 ASN A 105 -1.997 -9.630 -0.649 1.00 0.00 O ATOM 439 ND2 ASN A 105 -2.555 -11.433 0.537 1.00 0.00 N ATOM 0 H ASN A 105 -1.731 -9.205 -2.923 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.739 -11.176 -3.826 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.790 -12.112 -1.597 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -2.139 -12.165 -2.182 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -2.234 -11.009 1.408 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -2.948 -12.374 0.542 1.00 0.00 H new ATOM 446 N VAL A 106 -5.535 -9.588 -3.337 1.00 0.00 N ATOM 447 CA VAL A 106 -6.689 -8.726 -3.026 1.00 0.00 C ATOM 448 C VAL A 106 -7.230 -8.942 -1.600 1.00 0.00 C ATOM 449 O VAL A 106 -8.066 -8.171 -1.127 1.00 0.00 O ATOM 450 CB VAL A 106 -7.836 -8.891 -4.049 1.00 0.00 C ATOM 451 CG1 VAL A 106 -7.436 -8.308 -5.390 1.00 0.00 C ATOM 452 CG2 VAL A 106 -8.220 -10.353 -4.203 1.00 0.00 C ATOM 0 H VAL A 106 -5.677 -10.202 -4.139 1.00 0.00 H new ATOM 0 HA VAL A 106 -6.309 -7.706 -3.091 1.00 0.00 H new ATOM 0 HB VAL A 106 -8.704 -8.348 -3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.254 -8.432 -6.099 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -7.214 -7.247 -5.274 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -6.552 -8.825 -5.762 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -9.029 -10.442 -4.928 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.357 -10.921 -4.550 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.550 -10.746 -3.241 1.00 0.00 H new ATOM 462 N HIS A 107 -6.756 -9.996 -0.926 1.00 0.00 N ATOM 463 CA HIS A 107 -7.142 -10.258 0.471 1.00 0.00 C ATOM 464 C HIS A 107 -6.560 -9.186 1.394 1.00 0.00 C ATOM 465 O HIS A 107 -6.873 -9.134 2.584 1.00 0.00 O ATOM 466 CB HIS A 107 -6.660 -11.637 0.933 1.00 0.00 C ATOM 467 CG HIS A 107 -7.328 -12.786 0.248 1.00 0.00 C ATOM 468 ND1 HIS A 107 -6.631 -13.811 -0.341 1.00 0.00 N ATOM 469 CD2 HIS A 107 -8.635 -13.080 0.078 1.00 0.00 C ATOM 470 CE1 HIS A 107 -7.474 -14.685 -0.843 1.00 0.00 C ATOM 471 NE2 HIS A 107 -8.695 -14.267 -0.602 1.00 0.00 N ATOM 0 H HIS A 107 -6.109 -10.679 -1.319 1.00 0.00 H new ATOM 0 HA HIS A 107 -8.231 -10.234 0.521 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.585 -11.707 0.768 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -6.824 -11.725 2.007 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -9.475 -12.490 0.415 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -7.208 -15.592 -1.365 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -9.551 -14.749 -0.877 1.00 0.00 H new ATOM 480 N LYS A 108 -5.723 -8.334 0.833 1.00 0.00 N ATOM 481 CA LYS A 108 -5.107 -7.253 1.571 1.00 0.00 C ATOM 482 C LYS A 108 -5.255 -5.974 0.801 1.00 0.00 C ATOM 483 O LYS A 108 -5.433 -5.996 -0.418 1.00 0.00 O ATOM 484 CB LYS A 108 -3.629 -7.509 1.814 1.00 0.00 C ATOM 485 CG LYS A 108 -3.334 -8.686 2.714 1.00 0.00 C ATOM 486 CD LYS A 108 -1.910 -8.629 3.210 1.00 0.00 C ATOM 487 CE LYS A 108 -0.936 -8.599 2.052 1.00 0.00 C ATOM 488 NZ LYS A 108 0.459 -8.834 2.470 1.00 0.00 N ATOM 0 H LYS A 108 -5.452 -8.374 -0.150 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.608 -7.182 2.536 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.139 -7.671 0.854 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -3.186 -6.614 2.251 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.020 -8.685 3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.499 -9.617 2.171 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.772 -7.743 3.830 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -1.705 -9.494 3.840 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.224 -9.356 1.322 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.003 -7.632 1.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 1.055 -8.971 1.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.803 -8.013 3.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.504 -9.684 3.068 1.00 0.00 H new ATOM 502 N TYR A 109 -5.184 -4.866 1.491 1.00 0.00 N ATOM 503 CA TYR A 109 -5.302 -3.584 0.842 1.00 0.00 C ATOM 504 C TYR A 109 -4.361 -2.579 1.468 1.00 0.00 C ATOM 505 O TYR A 109 -3.883 -2.773 2.577 1.00 0.00 O ATOM 506 CB TYR A 109 -6.752 -3.079 0.863 1.00 0.00 C ATOM 507 CG TYR A 109 -7.220 -2.485 2.173 1.00 0.00 C ATOM 508 CD1 TYR A 109 -7.434 -3.275 3.293 1.00 0.00 C ATOM 509 CD2 TYR A 109 -7.466 -1.125 2.274 1.00 0.00 C ATOM 510 CE1 TYR A 109 -7.878 -2.724 4.479 1.00 0.00 C ATOM 511 CE2 TYR A 109 -7.908 -0.562 3.450 1.00 0.00 C ATOM 512 CZ TYR A 109 -8.113 -1.366 4.555 1.00 0.00 C ATOM 513 OH TYR A 109 -8.559 -0.813 5.739 1.00 0.00 O ATOM 0 H TYR A 109 -5.045 -4.824 2.501 1.00 0.00 H new ATOM 0 HA TYR A 109 -5.016 -3.708 -0.203 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -6.867 -2.327 0.082 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -7.410 -3.909 0.606 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -7.250 -4.338 3.237 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -7.308 -0.494 1.412 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -8.040 -3.352 5.342 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -8.093 0.500 3.508 1.00 0.00 H new ATOM 0 HH TYR A 109 -8.674 0.154 5.626 1.00 0.00 H new ATOM 523 N ILE A 110 -4.098 -1.516 0.763 1.00 0.00 N ATOM 524 CA ILE A 110 -3.212 -0.495 1.243 1.00 0.00 C ATOM 525 C ILE A 110 -3.953 0.816 1.341 1.00 0.00 C ATOM 526 O ILE A 110 -4.740 1.163 0.458 1.00 0.00 O ATOM 527 CB ILE A 110 -1.977 -0.290 0.314 1.00 0.00 C ATOM 528 CG1 ILE A 110 -1.352 -1.625 -0.109 1.00 0.00 C ATOM 529 CG2 ILE A 110 -0.934 0.581 0.996 1.00 0.00 C ATOM 530 CD1 ILE A 110 -1.953 -2.207 -1.371 1.00 0.00 C ATOM 0 H ILE A 110 -4.491 -1.333 -0.160 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.855 -0.821 2.220 1.00 0.00 H new ATOM 0 HB ILE A 110 -2.330 0.213 -0.586 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.282 -1.483 -0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.468 -2.343 0.703 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -0.080 0.713 0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -1.367 1.554 1.227 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -0.606 0.101 1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.460 -3.150 -1.607 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -3.018 -2.382 -1.220 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.814 -1.508 -2.196 1.00 0.00 H new ATOM 542 N ILE A 111 -3.727 1.526 2.413 1.00 0.00 N ATOM 543 CA ILE A 111 -4.298 2.829 2.575 1.00 0.00 C ATOM 544 C ILE A 111 -3.265 3.835 2.153 1.00 0.00 C ATOM 545 O ILE A 111 -2.185 3.903 2.747 1.00 0.00 O ATOM 546 CB ILE A 111 -4.725 3.130 4.045 1.00 0.00 C ATOM 547 CG1 ILE A 111 -5.758 2.116 4.553 1.00 0.00 C ATOM 548 CG2 ILE A 111 -5.282 4.543 4.158 1.00 0.00 C ATOM 549 CD1 ILE A 111 -5.159 0.815 5.040 1.00 0.00 C ATOM 0 H ILE A 111 -3.145 1.217 3.192 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.201 2.882 1.966 1.00 0.00 H new ATOM 0 HB ILE A 111 -3.835 3.044 4.669 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.326 2.569 5.366 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.464 1.901 3.751 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.575 4.737 5.190 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.519 5.260 3.857 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.151 4.644 3.509 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -5.955 0.153 5.382 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.615 0.337 4.225 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.475 1.016 5.864 1.00 0.00 H new ATOM 561 N CYS A 112 -3.556 4.584 1.122 1.00 0.00 N ATOM 562 CA CYS A 112 -2.619 5.571 0.652 1.00 0.00 C ATOM 563 C CYS A 112 -2.967 6.917 1.250 1.00 0.00 C ATOM 564 O CYS A 112 -4.088 7.410 1.082 1.00 0.00 O ATOM 565 CB CYS A 112 -2.647 5.645 -0.877 1.00 0.00 C ATOM 566 SG CYS A 112 -2.392 4.041 -1.713 1.00 0.00 S ATOM 0 H CYS A 112 -4.428 4.531 0.595 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.613 5.289 0.962 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -3.606 6.057 -1.191 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -1.877 6.341 -1.209 1.00 0.00 H new ATOM 571 N SER A 113 -2.027 7.500 1.953 1.00 0.00 N ATOM 572 CA SER A 113 -2.233 8.781 2.580 1.00 0.00 C ATOM 573 C SER A 113 -1.199 9.773 2.099 1.00 0.00 C ATOM 574 O SER A 113 0.001 9.508 2.147 1.00 0.00 O ATOM 575 CB SER A 113 -2.153 8.641 4.100 1.00 0.00 C ATOM 576 OG SER A 113 -3.130 7.726 4.583 1.00 0.00 O ATOM 0 H SER A 113 -1.101 7.101 2.106 1.00 0.00 H new ATOM 0 HA SER A 113 -3.223 9.146 2.308 1.00 0.00 H new ATOM 0 HB2 SER A 113 -1.158 8.299 4.385 1.00 0.00 H new ATOM 0 HB3 SER A 113 -2.301 9.615 4.566 1.00 0.00 H new ATOM 0 HG SER A 113 -3.057 7.653 5.558 1.00 0.00 H new ATOM 582 N LYS A 114 -1.651 10.908 1.634 1.00 0.00 N ATOM 583 CA LYS A 114 -0.748 11.922 1.180 1.00 0.00 C ATOM 584 C LYS A 114 -0.582 12.979 2.247 1.00 0.00 C ATOM 585 O LYS A 114 -1.539 13.651 2.631 1.00 0.00 O ATOM 586 CB LYS A 114 -1.226 12.547 -0.126 1.00 0.00 C ATOM 587 CG LYS A 114 -0.209 13.487 -0.748 1.00 0.00 C ATOM 588 CD LYS A 114 -0.677 13.995 -2.093 1.00 0.00 C ATOM 589 CE LYS A 114 0.411 14.792 -2.786 1.00 0.00 C ATOM 590 NZ LYS A 114 -0.003 15.221 -4.139 1.00 0.00 N ATOM 0 H LYS A 114 -2.639 11.150 1.561 1.00 0.00 H new ATOM 0 HA LYS A 114 0.219 11.457 0.987 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -1.460 11.754 -0.836 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -2.151 13.093 0.058 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -0.034 14.330 -0.080 1.00 0.00 H new ATOM 0 HG3 LYS A 114 0.743 12.970 -0.864 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.971 13.154 -2.720 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -1.561 14.619 -1.962 1.00 0.00 H new ATOM 0 HE2 LYS A 114 0.658 15.668 -2.186 1.00 0.00 H new ATOM 0 HE3 LYS A 114 1.316 14.188 -2.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 0.766 15.763 -4.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -0.215 14.384 -4.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -0.852 15.818 -4.069 1.00 0.00 H new ATOM 604 N SER A 115 0.617 13.097 2.747 1.00 0.00 N ATOM 605 CA SER A 115 0.938 14.067 3.755 1.00 0.00 C ATOM 606 C SER A 115 1.747 15.193 3.138 1.00 0.00 C ATOM 607 O SER A 115 2.982 15.179 3.165 1.00 0.00 O ATOM 608 CB SER A 115 1.717 13.398 4.878 1.00 0.00 C ATOM 609 OG SER A 115 0.943 12.363 5.466 1.00 0.00 O ATOM 0 H SER A 115 1.406 12.516 2.463 1.00 0.00 H new ATOM 0 HA SER A 115 0.020 14.484 4.169 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.649 12.988 4.489 1.00 0.00 H new ATOM 0 HB3 SER A 115 1.984 14.136 5.634 1.00 0.00 H new ATOM 0 HG SER A 115 1.532 11.628 5.737 1.00 0.00 H new ATOM 615 N GLY A 116 1.044 16.139 2.544 1.00 0.00 N ATOM 616 CA GLY A 116 1.697 17.243 1.890 1.00 0.00 C ATOM 617 C GLY A 116 2.453 16.793 0.660 1.00 0.00 C ATOM 618 O GLY A 116 1.863 16.568 -0.395 1.00 0.00 O ATOM 0 H GLY A 116 0.025 16.160 2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 116 0.955 17.990 1.609 1.00 0.00 H new ATOM 0 HA3 GLY A 116 2.385 17.723 2.586 1.00 0.00 H new ATOM 622 N SER A 117 3.754 16.641 0.802 1.00 0.00 N ATOM 623 CA SER A 117 4.598 16.213 -0.294 1.00 0.00 C ATOM 624 C SER A 117 5.143 14.809 -0.032 1.00 0.00 C ATOM 625 O SER A 117 5.955 14.295 -0.799 1.00 0.00 O ATOM 626 CB SER A 117 5.756 17.199 -0.468 1.00 0.00 C ATOM 627 OG SER A 117 5.276 18.532 -0.573 1.00 0.00 O ATOM 0 H SER A 117 4.253 16.810 1.675 1.00 0.00 H new ATOM 0 HA SER A 117 4.004 16.189 -1.207 1.00 0.00 H new ATOM 0 HB2 SER A 117 6.437 17.119 0.379 1.00 0.00 H new ATOM 0 HB3 SER A 117 6.326 16.942 -1.361 1.00 0.00 H new ATOM 0 HG SER A 117 6.033 19.145 -0.682 1.00 0.00 H new ATOM 633 N LEU A 118 4.681 14.188 1.045 1.00 0.00 N ATOM 634 CA LEU A 118 5.164 12.870 1.424 1.00 0.00 C ATOM 635 C LEU A 118 4.040 11.854 1.415 1.00 0.00 C ATOM 636 O LEU A 118 2.957 12.118 1.919 1.00 0.00 O ATOM 637 CB LEU A 118 5.796 12.924 2.813 1.00 0.00 C ATOM 638 CG LEU A 118 6.566 11.675 3.253 1.00 0.00 C ATOM 639 CD1 LEU A 118 7.638 11.310 2.233 1.00 0.00 C ATOM 640 CD2 LEU A 118 7.191 11.898 4.617 1.00 0.00 C ATOM 0 H LEU A 118 3.974 14.576 1.669 1.00 0.00 H new ATOM 0 HA LEU A 118 5.913 12.562 0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 118 6.475 13.776 2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.008 13.115 3.541 1.00 0.00 H new ATOM 0 HG LEU A 118 5.862 10.845 3.319 1.00 0.00 H new ATOM 0 HD11 LEU A 118 8.171 10.420 2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 118 7.170 11.111 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 118 8.341 12.137 2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 118 7.735 11.003 4.918 1.00 0.00 H new ATOM 0 HD22 LEU A 118 7.879 12.742 4.568 1.00 0.00 H new ATOM 0 HD23 LEU A 118 6.408 12.109 5.346 1.00 0.00 H new ATOM 652 N TRP A 119 4.294 10.700 0.839 1.00 0.00 N ATOM 653 CA TRP A 119 3.300 9.645 0.799 1.00 0.00 C ATOM 654 C TRP A 119 3.507 8.624 1.911 1.00 0.00 C ATOM 655 O TRP A 119 4.629 8.166 2.157 1.00 0.00 O ATOM 656 CB TRP A 119 3.311 8.942 -0.557 1.00 0.00 C ATOM 657 CG TRP A 119 2.637 9.723 -1.637 1.00 0.00 C ATOM 658 CD1 TRP A 119 3.210 10.627 -2.482 1.00 0.00 C ATOM 659 CD2 TRP A 119 1.253 9.667 -1.983 1.00 0.00 C ATOM 660 NE1 TRP A 119 2.263 11.136 -3.333 1.00 0.00 N ATOM 661 CE2 TRP A 119 1.054 10.561 -3.048 1.00 0.00 C ATOM 662 CE3 TRP A 119 0.161 8.943 -1.495 1.00 0.00 C ATOM 663 CZ2 TRP A 119 -0.193 10.753 -3.634 1.00 0.00 C ATOM 664 CZ3 TRP A 119 -1.073 9.135 -2.078 1.00 0.00 C ATOM 665 CH2 TRP A 119 -1.241 10.033 -3.137 1.00 0.00 C ATOM 0 H TRP A 119 5.180 10.466 0.391 1.00 0.00 H new ATOM 0 HA TRP A 119 2.329 10.117 0.952 1.00 0.00 H new ATOM 0 HB2 TRP A 119 4.343 8.749 -0.849 1.00 0.00 H new ATOM 0 HB3 TRP A 119 2.821 7.973 -0.460 1.00 0.00 H new ATOM 0 HD1 TRP A 119 4.255 10.901 -2.481 1.00 0.00 H new ATOM 0 HE1 TRP A 119 2.432 11.831 -4.061 1.00 0.00 H new ATOM 0 HE3 TRP A 119 0.282 8.247 -0.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -0.327 11.446 -4.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -1.925 8.582 -1.711 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -2.222 10.160 -3.571 1.00 0.00 H new ATOM 676 N TYR A 120 2.425 8.297 2.588 1.00 0.00 N ATOM 677 CA TYR A 120 2.416 7.266 3.604 1.00 0.00 C ATOM 678 C TYR A 120 1.516 6.132 3.175 1.00 0.00 C ATOM 679 O TYR A 120 0.374 6.357 2.763 1.00 0.00 O ATOM 680 CB TYR A 120 1.933 7.815 4.942 1.00 0.00 C ATOM 681 CG TYR A 120 2.969 8.597 5.701 1.00 0.00 C ATOM 682 CD1 TYR A 120 3.115 9.961 5.515 1.00 0.00 C ATOM 683 CD2 TYR A 120 3.798 7.965 6.613 1.00 0.00 C ATOM 684 CE1 TYR A 120 4.060 10.676 6.219 1.00 0.00 C ATOM 685 CE2 TYR A 120 4.744 8.668 7.319 1.00 0.00 C ATOM 686 CZ TYR A 120 4.874 10.023 7.121 1.00 0.00 C ATOM 687 OH TYR A 120 5.820 10.728 7.831 1.00 0.00 O ATOM 0 H TYR A 120 1.519 8.744 2.447 1.00 0.00 H new ATOM 0 HA TYR A 120 3.437 6.904 3.726 1.00 0.00 H new ATOM 0 HB2 TYR A 120 1.068 8.455 4.768 1.00 0.00 H new ATOM 0 HB3 TYR A 120 1.596 6.984 5.562 1.00 0.00 H new ATOM 0 HD1 TYR A 120 2.479 10.473 4.808 1.00 0.00 H new ATOM 0 HD2 TYR A 120 3.699 6.901 6.772 1.00 0.00 H new ATOM 0 HE1 TYR A 120 4.162 11.740 6.065 1.00 0.00 H new ATOM 0 HE2 TYR A 120 5.382 8.159 8.026 1.00 0.00 H new ATOM 0 HH TYR A 120 6.307 10.117 8.423 1.00 0.00 H new ATOM 697 N ILE A 121 2.023 4.928 3.253 1.00 0.00 N ATOM 698 CA ILE A 121 1.250 3.766 2.876 1.00 0.00 C ATOM 699 C ILE A 121 1.096 2.816 4.052 1.00 0.00 C ATOM 700 O ILE A 121 1.955 2.751 4.939 1.00 0.00 O ATOM 701 CB ILE A 121 1.870 3.022 1.645 1.00 0.00 C ATOM 702 CG1 ILE A 121 3.218 2.371 1.985 1.00 0.00 C ATOM 703 CG2 ILE A 121 2.027 3.974 0.472 1.00 0.00 C ATOM 704 CD1 ILE A 121 3.101 0.944 2.487 1.00 0.00 C ATOM 0 H ILE A 121 2.969 4.724 3.574 1.00 0.00 H new ATOM 0 HA ILE A 121 0.262 4.119 2.580 1.00 0.00 H new ATOM 0 HB ILE A 121 1.181 2.224 1.368 1.00 0.00 H new ATOM 0 HG12 ILE A 121 3.851 2.383 1.097 1.00 0.00 H new ATOM 0 HG13 ILE A 121 3.720 2.973 2.743 1.00 0.00 H new ATOM 0 HG21 ILE A 121 2.459 3.440 -0.374 1.00 0.00 H new ATOM 0 HG22 ILE A 121 1.051 4.370 0.191 1.00 0.00 H new ATOM 0 HG23 ILE A 121 2.684 4.796 0.756 1.00 0.00 H new ATOM 0 HD11 ILE A 121 4.095 0.553 2.706 1.00 0.00 H new ATOM 0 HD12 ILE A 121 2.496 0.926 3.393 1.00 0.00 H new ATOM 0 HD13 ILE A 121 2.628 0.327 1.723 1.00 0.00 H new ATOM 716 N THR A 122 -0.007 2.117 4.082 1.00 0.00 N ATOM 717 CA THR A 122 -0.261 1.147 5.120 1.00 0.00 C ATOM 718 C THR A 122 -0.989 -0.056 4.532 1.00 0.00 C ATOM 719 O THR A 122 -2.124 0.063 4.088 1.00 0.00 O ATOM 720 CB THR A 122 -1.114 1.766 6.243 1.00 0.00 C ATOM 721 OG1 THR A 122 -0.553 3.032 6.628 1.00 0.00 O ATOM 722 CG2 THR A 122 -1.160 0.849 7.455 1.00 0.00 C ATOM 0 H THR A 122 -0.754 2.201 3.392 1.00 0.00 H new ATOM 0 HA THR A 122 0.694 0.829 5.539 1.00 0.00 H new ATOM 0 HB THR A 122 -2.129 1.904 5.870 1.00 0.00 H new ATOM 0 HG1 THR A 122 -1.096 3.427 7.342 1.00 0.00 H new ATOM 0 HG21 THR A 122 -1.768 1.307 8.235 1.00 0.00 H new ATOM 0 HG22 THR A 122 -1.596 -0.109 7.170 1.00 0.00 H new ATOM 0 HG23 THR A 122 -0.149 0.690 7.830 1.00 0.00 H new ATOM 730 N VAL A 123 -0.342 -1.207 4.524 1.00 0.00 N ATOM 731 CA VAL A 123 -0.938 -2.397 3.943 1.00 0.00 C ATOM 732 C VAL A 123 -1.610 -3.255 5.016 1.00 0.00 C ATOM 733 O VAL A 123 -0.953 -3.941 5.805 1.00 0.00 O ATOM 734 CB VAL A 123 0.091 -3.228 3.117 1.00 0.00 C ATOM 735 CG1 VAL A 123 1.338 -3.539 3.931 1.00 0.00 C ATOM 736 CG2 VAL A 123 -0.548 -4.507 2.585 1.00 0.00 C ATOM 0 H VAL A 123 0.592 -1.344 4.911 1.00 0.00 H new ATOM 0 HA VAL A 123 -1.707 -2.063 3.246 1.00 0.00 H new ATOM 0 HB VAL A 123 0.399 -2.621 2.265 1.00 0.00 H new ATOM 0 HG11 VAL A 123 2.033 -4.119 3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.814 -2.608 4.238 1.00 0.00 H new ATOM 0 HG13 VAL A 123 1.061 -4.113 4.815 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.188 -5.071 2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.899 -5.113 3.420 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -1.391 -4.253 1.942 1.00 0.00 H new ATOM 746 N MET A 124 -2.920 -3.181 5.050 1.00 0.00 N ATOM 747 CA MET A 124 -3.707 -3.902 6.023 1.00 0.00 C ATOM 748 C MET A 124 -4.437 -5.063 5.376 1.00 0.00 C ATOM 749 O MET A 124 -4.963 -4.935 4.273 1.00 0.00 O ATOM 750 CB MET A 124 -4.725 -2.965 6.680 1.00 0.00 C ATOM 751 CG MET A 124 -4.124 -1.716 7.315 1.00 0.00 C ATOM 752 SD MET A 124 -3.497 -1.972 8.999 1.00 0.00 S ATOM 753 CE MET A 124 -2.046 -2.989 8.709 1.00 0.00 C ATOM 0 H MET A 124 -3.471 -2.618 4.402 1.00 0.00 H new ATOM 0 HA MET A 124 -3.028 -4.292 6.781 1.00 0.00 H new ATOM 0 HB2 MET A 124 -5.454 -2.660 5.930 1.00 0.00 H new ATOM 0 HB3 MET A 124 -5.268 -3.520 7.445 1.00 0.00 H new ATOM 0 HG2 MET A 124 -3.309 -1.357 6.686 1.00 0.00 H new ATOM 0 HG3 MET A 124 -4.880 -0.931 7.335 1.00 0.00 H new ATOM 0 HE1 MET A 124 -1.333 -2.845 9.521 1.00 0.00 H new ATOM 0 HE2 MET A 124 -2.340 -4.038 8.665 1.00 0.00 H new ATOM 0 HE3 MET A 124 -1.583 -2.702 7.765 1.00 0.00 H new ATOM 763 N PRO A 125 -4.459 -6.215 6.037 1.00 0.00 N ATOM 764 CA PRO A 125 -5.187 -7.368 5.551 1.00 0.00 C ATOM 765 C PRO A 125 -6.671 -7.266 5.882 1.00 0.00 C ATOM 766 O PRO A 125 -7.051 -6.752 6.939 1.00 0.00 O ATOM 767 CB PRO A 125 -4.543 -8.530 6.307 1.00 0.00 C ATOM 768 CG PRO A 125 -4.087 -7.933 7.596 1.00 0.00 C ATOM 769 CD PRO A 125 -3.757 -6.490 7.309 1.00 0.00 C ATOM 0 HA PRO A 125 -5.136 -7.475 4.467 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -5.256 -9.338 6.474 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -3.708 -8.952 5.748 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -4.866 -8.009 8.355 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -3.214 -8.461 7.980 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -4.104 -5.834 8.107 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -2.682 -6.336 7.214 1.00 0.00 H new ATOM 777 N CYS A 126 -7.510 -7.717 4.979 1.00 0.00 N ATOM 778 CA CYS A 126 -8.927 -7.698 5.228 1.00 0.00 C ATOM 779 C CYS A 126 -9.357 -9.014 5.846 1.00 0.00 C ATOM 780 O CYS A 126 -8.526 -9.889 6.107 1.00 0.00 O ATOM 781 CB CYS A 126 -9.721 -7.430 3.948 1.00 0.00 C ATOM 782 SG CYS A 126 -11.450 -6.931 4.270 1.00 0.00 S ATOM 0 H CYS A 126 -7.236 -8.098 4.073 1.00 0.00 H new ATOM 0 HA CYS A 126 -9.137 -6.884 5.922 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -9.223 -6.647 3.376 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -9.717 -8.328 3.330 1.00 0.00 H new ATOM 787 N SER A 127 -10.640 -9.141 6.091 1.00 0.00 N ATOM 788 CA SER A 127 -11.193 -10.335 6.662 1.00 0.00 C ATOM 789 C SER A 127 -10.939 -11.526 5.734 1.00 0.00 C ATOM 790 O SER A 127 -11.042 -11.406 4.506 1.00 0.00 O ATOM 791 CB SER A 127 -12.697 -10.143 6.893 1.00 0.00 C ATOM 792 OG SER A 127 -13.223 -11.121 7.773 1.00 0.00 O ATOM 0 H SER A 127 -11.328 -8.413 5.897 1.00 0.00 H new ATOM 0 HA SER A 127 -10.712 -10.536 7.619 1.00 0.00 H new ATOM 0 HB2 SER A 127 -12.878 -9.150 7.304 1.00 0.00 H new ATOM 0 HB3 SER A 127 -13.221 -10.194 5.938 1.00 0.00 H new ATOM 0 HG SER A 127 -14.183 -10.966 7.898 1.00 0.00 H new ATOM 798 N ILE A 128 -10.583 -12.655 6.313 1.00 0.00 N ATOM 799 CA ILE A 128 -10.352 -13.851 5.536 1.00 0.00 C ATOM 800 C ILE A 128 -11.663 -14.273 4.876 1.00 0.00 C ATOM 801 O ILE A 128 -12.727 -14.210 5.498 1.00 0.00 O ATOM 802 CB ILE A 128 -9.769 -15.020 6.399 1.00 0.00 C ATOM 803 CG1 ILE A 128 -8.325 -14.714 6.859 1.00 0.00 C ATOM 804 CG2 ILE A 128 -9.795 -16.333 5.628 1.00 0.00 C ATOM 805 CD1 ILE A 128 -8.208 -13.632 7.916 1.00 0.00 C ATOM 0 H ILE A 128 -10.448 -12.767 7.318 1.00 0.00 H new ATOM 0 HA ILE A 128 -9.604 -13.625 4.776 1.00 0.00 H new ATOM 0 HB ILE A 128 -10.401 -15.116 7.282 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -7.881 -15.631 7.247 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -7.737 -14.418 5.990 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -9.385 -17.128 6.250 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -10.823 -16.577 5.359 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -9.196 -16.235 4.722 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -7.159 -13.488 8.175 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -8.618 -12.699 7.529 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -8.763 -13.930 8.805 1.00 0.00 H new ATOM 817 N GLY A 129 -11.581 -14.690 3.630 1.00 0.00 N ATOM 818 CA GLY A 129 -12.775 -15.024 2.891 1.00 0.00 C ATOM 819 C GLY A 129 -13.310 -13.854 2.088 1.00 0.00 C ATOM 820 O GLY A 129 -14.174 -14.029 1.234 1.00 0.00 O ATOM 0 H GLY A 129 -10.709 -14.804 3.114 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -12.561 -15.854 2.218 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -13.543 -15.366 3.584 1.00 0.00 H new ATOM 824 N THR A 130 -12.805 -12.656 2.357 1.00 0.00 N ATOM 825 CA THR A 130 -13.229 -11.480 1.618 1.00 0.00 C ATOM 826 C THR A 130 -12.041 -10.827 0.915 1.00 0.00 C ATOM 827 O THR A 130 -10.884 -11.085 1.263 1.00 0.00 O ATOM 828 CB THR A 130 -13.932 -10.438 2.530 1.00 0.00 C ATOM 829 OG1 THR A 130 -13.076 -10.051 3.609 1.00 0.00 O ATOM 830 CG2 THR A 130 -15.230 -10.995 3.093 1.00 0.00 C ATOM 0 H THR A 130 -12.106 -12.477 3.078 1.00 0.00 H new ATOM 0 HA THR A 130 -13.951 -11.818 0.874 1.00 0.00 H new ATOM 0 HB THR A 130 -14.157 -9.564 1.918 1.00 0.00 H new ATOM 0 HG1 THR A 130 -12.236 -10.554 3.557 1.00 0.00 H new ATOM 0 HG21 THR A 130 -15.702 -10.246 3.728 1.00 0.00 H new ATOM 0 HG22 THR A 130 -15.901 -11.252 2.274 1.00 0.00 H new ATOM 0 HG23 THR A 130 -15.018 -11.888 3.681 1.00 0.00 H new ATOM 838 N LYS A 131 -12.327 -10.002 -0.072 1.00 0.00 N ATOM 839 CA LYS A 131 -11.297 -9.306 -0.817 1.00 0.00 C ATOM 840 C LYS A 131 -11.665 -7.840 -0.966 1.00 0.00 C ATOM 841 O LYS A 131 -12.847 -7.496 -1.060 1.00 0.00 O ATOM 842 CB LYS A 131 -11.092 -9.956 -2.192 1.00 0.00 C ATOM 843 CG LYS A 131 -12.347 -10.015 -3.051 1.00 0.00 C ATOM 844 CD LYS A 131 -12.103 -10.795 -4.335 1.00 0.00 C ATOM 845 CE LYS A 131 -13.378 -10.929 -5.148 1.00 0.00 C ATOM 846 NZ LYS A 131 -13.181 -11.747 -6.379 1.00 0.00 N ATOM 0 H LYS A 131 -13.277 -9.795 -0.380 1.00 0.00 H new ATOM 0 HA LYS A 131 -10.358 -9.376 -0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -10.323 -9.403 -2.731 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -10.716 -10.969 -2.049 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -13.154 -10.482 -2.487 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -12.672 -9.003 -3.294 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -11.341 -10.292 -4.930 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -11.717 -11.785 -4.094 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -14.153 -11.385 -4.532 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -13.735 -9.937 -5.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -13.846 -11.434 -7.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -12.206 -11.630 -6.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -13.353 -12.749 -6.161 1.00 0.00 H new ATOM 860 N PHE A 132 -10.665 -6.984 -0.973 1.00 0.00 N ATOM 861 CA PHE A 132 -10.886 -5.555 -1.074 1.00 0.00 C ATOM 862 C PHE A 132 -11.002 -5.129 -2.536 1.00 0.00 C ATOM 863 O PHE A 132 -10.236 -5.584 -3.389 1.00 0.00 O ATOM 864 CB PHE A 132 -9.746 -4.806 -0.383 1.00 0.00 C ATOM 865 CG PHE A 132 -10.046 -3.363 -0.080 1.00 0.00 C ATOM 866 CD1 PHE A 132 -10.715 -3.013 1.080 1.00 0.00 C ATOM 867 CD2 PHE A 132 -9.648 -2.361 -0.946 1.00 0.00 C ATOM 868 CE1 PHE A 132 -10.981 -1.692 1.371 1.00 0.00 C ATOM 869 CE2 PHE A 132 -9.912 -1.037 -0.661 1.00 0.00 C ATOM 870 CZ PHE A 132 -10.579 -0.702 0.499 1.00 0.00 C ATOM 0 H PHE A 132 -9.684 -7.255 -0.909 1.00 0.00 H new ATOM 0 HA PHE A 132 -11.824 -5.307 -0.577 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -9.503 -5.318 0.548 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -8.859 -4.856 -1.015 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -11.033 -3.784 1.766 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -9.125 -2.618 -1.855 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -11.503 -1.433 2.280 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -9.597 -0.264 -1.346 1.00 0.00 H new ATOM 0 HZ PHE A 132 -10.786 0.334 0.724 1.00 0.00 H new ATOM 880 N ASP A 133 -11.965 -4.273 -2.818 1.00 0.00 N ATOM 881 CA ASP A 133 -12.195 -3.781 -4.173 1.00 0.00 C ATOM 882 C ASP A 133 -11.538 -2.417 -4.367 1.00 0.00 C ATOM 883 O ASP A 133 -11.633 -1.552 -3.501 1.00 0.00 O ATOM 884 CB ASP A 133 -13.697 -3.679 -4.450 1.00 0.00 C ATOM 885 CG ASP A 133 -13.998 -3.391 -5.904 1.00 0.00 C ATOM 886 OD1 ASP A 133 -14.048 -2.203 -6.289 1.00 0.00 O ATOM 887 OD2 ASP A 133 -14.181 -4.357 -6.673 1.00 0.00 O ATOM 0 H ASP A 133 -12.610 -3.897 -2.122 1.00 0.00 H new ATOM 0 HA ASP A 133 -11.750 -4.486 -4.875 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -14.181 -4.611 -4.160 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -14.125 -2.891 -3.830 1.00 0.00 H new ATOM 892 N PRO A 134 -10.857 -2.210 -5.510 1.00 0.00 N ATOM 893 CA PRO A 134 -10.158 -0.951 -5.800 1.00 0.00 C ATOM 894 C PRO A 134 -11.100 0.235 -6.026 1.00 0.00 C ATOM 895 O PRO A 134 -10.879 1.322 -5.488 1.00 0.00 O ATOM 896 CB PRO A 134 -9.369 -1.261 -7.080 1.00 0.00 C ATOM 897 CG PRO A 134 -10.093 -2.400 -7.717 1.00 0.00 C ATOM 898 CD PRO A 134 -10.704 -3.196 -6.601 1.00 0.00 C ATOM 0 HA PRO A 134 -9.538 -0.645 -4.957 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -9.336 -0.396 -7.742 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -8.337 -1.528 -6.852 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -10.861 -2.038 -8.400 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -9.410 -3.015 -8.303 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -11.664 -3.623 -6.892 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -10.063 -4.026 -6.304 1.00 0.00 H new ATOM 906 N ILE A 135 -12.132 0.030 -6.825 1.00 0.00 N ATOM 907 CA ILE A 135 -13.067 1.097 -7.151 1.00 0.00 C ATOM 908 C ILE A 135 -14.047 1.357 -6.010 1.00 0.00 C ATOM 909 O ILE A 135 -14.161 2.487 -5.530 1.00 0.00 O ATOM 910 CB ILE A 135 -13.846 0.807 -8.476 1.00 0.00 C ATOM 911 CG1 ILE A 135 -12.936 0.987 -9.707 1.00 0.00 C ATOM 912 CG2 ILE A 135 -15.073 1.708 -8.602 1.00 0.00 C ATOM 913 CD1 ILE A 135 -11.801 -0.012 -9.814 1.00 0.00 C ATOM 0 H ILE A 135 -12.346 -0.867 -7.262 1.00 0.00 H new ATOM 0 HA ILE A 135 -12.469 1.996 -7.300 1.00 0.00 H new ATOM 0 HB ILE A 135 -14.178 -0.231 -8.436 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -13.548 0.917 -10.606 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -12.515 1.992 -9.685 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -15.595 1.484 -9.532 1.00 0.00 H new ATOM 0 HG22 ILE A 135 -15.742 1.532 -7.759 1.00 0.00 H new ATOM 0 HG23 ILE A 135 -14.759 2.752 -8.604 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -11.217 0.195 -10.711 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -11.160 0.071 -8.936 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -12.209 -1.021 -9.872 1.00 0.00 H new ATOM 925 N SER A 136 -14.735 0.319 -5.564 1.00 0.00 N ATOM 926 CA SER A 136 -15.714 0.462 -4.503 1.00 0.00 C ATOM 927 C SER A 136 -15.035 0.802 -3.176 1.00 0.00 C ATOM 928 O SER A 136 -15.607 1.504 -2.339 1.00 0.00 O ATOM 929 CB SER A 136 -16.540 -0.814 -4.377 1.00 0.00 C ATOM 930 OG SER A 136 -17.133 -1.163 -5.624 1.00 0.00 O ATOM 0 H SER A 136 -14.633 -0.631 -5.921 1.00 0.00 H new ATOM 0 HA SER A 136 -16.381 1.286 -4.756 1.00 0.00 H new ATOM 0 HB2 SER A 136 -15.905 -1.630 -4.031 1.00 0.00 H new ATOM 0 HB3 SER A 136 -17.318 -0.675 -3.626 1.00 0.00 H new ATOM 0 HG SER A 136 -17.656 -1.985 -5.519 1.00 0.00 H new ATOM 936 N ARG A 137 -13.819 0.285 -2.996 1.00 0.00 N ATOM 937 CA ARG A 137 -13.008 0.552 -1.805 1.00 0.00 C ATOM 938 C ARG A 137 -13.639 -0.050 -0.562 1.00 0.00 C ATOM 939 O ARG A 137 -13.771 0.605 0.472 1.00 0.00 O ATOM 940 CB ARG A 137 -12.746 2.055 -1.619 1.00 0.00 C ATOM 941 CG ARG A 137 -11.905 2.665 -2.726 1.00 0.00 C ATOM 942 CD ARG A 137 -11.693 4.153 -2.518 1.00 0.00 C ATOM 943 NE ARG A 137 -10.763 4.708 -3.505 1.00 0.00 N ATOM 944 CZ ARG A 137 -10.270 5.947 -3.474 1.00 0.00 C ATOM 945 NH1 ARG A 137 -10.607 6.779 -2.496 1.00 0.00 N ATOM 946 NH2 ARG A 137 -9.429 6.348 -4.421 1.00 0.00 N ATOM 0 H ARG A 137 -13.367 -0.331 -3.672 1.00 0.00 H new ATOM 0 HA ARG A 137 -12.043 0.069 -1.958 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -13.701 2.579 -1.568 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -12.245 2.213 -0.664 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -10.939 2.162 -2.767 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -12.392 2.498 -3.687 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -12.650 4.671 -2.587 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -11.307 4.329 -1.514 1.00 0.00 H new ATOM 0 HE ARG A 137 -10.471 4.102 -4.272 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -11.246 6.472 -1.763 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -10.227 7.725 -2.478 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -9.162 5.709 -5.170 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -9.051 7.295 -4.399 1.00 0.00 H new ATOM 960 N ASN A 138 -14.017 -1.307 -0.676 1.00 0.00 N ATOM 961 CA ASN A 138 -14.594 -2.057 0.424 1.00 0.00 C ATOM 962 C ASN A 138 -14.268 -3.525 0.237 1.00 0.00 C ATOM 963 O ASN A 138 -13.728 -3.907 -0.795 1.00 0.00 O ATOM 964 CB ASN A 138 -16.123 -1.870 0.496 1.00 0.00 C ATOM 965 CG ASN A 138 -16.880 -2.550 -0.645 1.00 0.00 C ATOM 966 OD1 ASN A 138 -16.414 -2.601 -1.785 1.00 0.00 O ATOM 967 ND2 ASN A 138 -18.046 -3.090 -0.336 1.00 0.00 N ATOM 0 H ASN A 138 -13.932 -1.842 -1.540 1.00 0.00 H new ATOM 0 HA ASN A 138 -14.170 -1.687 1.358 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -16.484 -2.265 1.446 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -16.351 -0.804 0.487 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -18.592 -3.569 -1.052 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -18.400 -3.028 0.619 1.00 0.00 H new ATOM 974 N CYS A 139 -14.587 -4.338 1.211 1.00 0.00 N ATOM 975 CA CYS A 139 -14.330 -5.758 1.106 1.00 0.00 C ATOM 976 C CYS A 139 -15.597 -6.520 0.766 1.00 0.00 C ATOM 977 O CYS A 139 -16.631 -6.367 1.422 1.00 0.00 O ATOM 978 CB CYS A 139 -13.710 -6.304 2.392 1.00 0.00 C ATOM 979 SG CYS A 139 -11.979 -5.810 2.672 1.00 0.00 S ATOM 0 H CYS A 139 -15.024 -4.046 2.085 1.00 0.00 H new ATOM 0 HA CYS A 139 -13.616 -5.901 0.295 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -14.310 -5.971 3.239 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -13.764 -7.392 2.372 1.00 0.00 H new ATOM 984 N VAL A 140 -15.515 -7.316 -0.282 1.00 0.00 N ATOM 985 CA VAL A 140 -16.618 -8.146 -0.719 1.00 0.00 C ATOM 986 C VAL A 140 -16.218 -9.603 -0.592 1.00 0.00 C ATOM 987 O VAL A 140 -15.027 -9.898 -0.481 1.00 0.00 O ATOM 988 CB VAL A 140 -17.005 -7.846 -2.194 1.00 0.00 C ATOM 989 CG1 VAL A 140 -17.466 -6.403 -2.348 1.00 0.00 C ATOM 990 CG2 VAL A 140 -15.833 -8.132 -3.130 1.00 0.00 C ATOM 0 H VAL A 140 -14.677 -7.405 -0.856 1.00 0.00 H new ATOM 0 HA VAL A 140 -17.483 -7.929 -0.092 1.00 0.00 H new ATOM 0 HB VAL A 140 -17.831 -8.503 -2.466 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -17.732 -6.215 -3.388 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -18.336 -6.229 -1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -16.661 -5.730 -2.052 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -16.126 -7.915 -4.157 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -14.986 -7.504 -2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -15.549 -9.181 -3.048 1.00 0.00 H new ATOM 1000 N LEU A 141 -17.191 -10.508 -0.577 1.00 0.00 N ATOM 1001 CA LEU A 141 -16.889 -11.936 -0.488 1.00 0.00 C ATOM 1002 C LEU A 141 -15.918 -12.336 -1.592 1.00 0.00 C ATOM 1003 O LEU A 141 -16.156 -12.076 -2.773 1.00 0.00 O ATOM 1004 CB LEU A 141 -18.167 -12.774 -0.568 1.00 0.00 C ATOM 1005 CG LEU A 141 -17.990 -14.280 -0.357 1.00 0.00 C ATOM 1006 CD1 LEU A 141 -17.436 -14.569 1.030 1.00 0.00 C ATOM 1007 CD2 LEU A 141 -19.309 -15.002 -0.561 1.00 0.00 C ATOM 0 H LEU A 141 -18.185 -10.284 -0.625 1.00 0.00 H new ATOM 0 HA LEU A 141 -16.423 -12.128 0.478 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -18.870 -12.402 0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -18.623 -12.614 -1.545 1.00 0.00 H new ATOM 0 HG LEU A 141 -17.275 -14.646 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -17.318 -15.645 1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -16.467 -14.082 1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -18.125 -14.187 1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -19.166 -16.072 -0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -20.043 -14.628 0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -19.667 -14.826 -1.575 1.00 0.00 H new ATOM 1019 N ASP A 142 -14.820 -12.948 -1.201 1.00 0.00 N ATOM 1020 CA ASP A 142 -13.770 -13.307 -2.132 1.00 0.00 C ATOM 1021 C ASP A 142 -14.110 -14.544 -2.930 1.00 0.00 C ATOM 1022 O ASP A 142 -13.873 -15.666 -2.488 1.00 0.00 O ATOM 1023 CB ASP A 142 -12.442 -13.498 -1.395 1.00 0.00 C ATOM 1024 CG ASP A 142 -11.371 -14.144 -2.251 1.00 0.00 C ATOM 1025 OD1 ASP A 142 -11.037 -13.597 -3.315 1.00 0.00 O ATOM 1026 OD2 ASP A 142 -10.836 -15.198 -1.840 1.00 0.00 O ATOM 0 H ASP A 142 -14.630 -13.210 -0.234 1.00 0.00 H new ATOM 0 HA ASP A 142 -13.672 -12.483 -2.838 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -12.084 -12.529 -1.047 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -12.610 -14.112 -0.510 1.00 0.00 H new ATOM 1031 N ASN A 143 -14.721 -14.340 -4.075 1.00 0.00 N ATOM 1032 CA ASN A 143 -14.963 -15.416 -5.001 1.00 0.00 C ATOM 1033 C ASN A 143 -13.761 -15.559 -5.910 1.00 0.00 C ATOM 1034 O ASN A 143 -13.509 -14.631 -6.704 1.00 0.00 O ATOM 1035 CB ASN A 143 -16.213 -15.132 -5.831 1.00 0.00 C ATOM 1036 CG ASN A 143 -16.568 -16.272 -6.764 1.00 0.00 C ATOM 1037 OD1 ASN A 143 -16.119 -16.317 -7.913 1.00 0.00 O ATOM 1038 ND2 ASN A 143 -17.387 -17.186 -6.284 1.00 0.00 N ATOM 1039 OXT ASN A 143 -13.059 -16.585 -5.817 1.00 0.00 O ATOM 0 H ASN A 143 -15.061 -13.430 -4.386 1.00 0.00 H new ATOM 0 HA ASN A 143 -15.121 -16.342 -4.448 1.00 0.00 H new ATOM 0 HB2 ASN A 143 -17.052 -14.941 -5.162 1.00 0.00 H new ATOM 0 HB3 ASN A 143 -16.058 -14.225 -6.415 1.00 0.00 H new ATOM 0 HD21 ASN A 143 -17.674 -17.971 -6.869 1.00 0.00 H new ATOM 0 HD22 ASN A 143 -17.734 -17.109 -5.328 1.00 0.00 H new TER 1046 ASN A 143