USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 77 CYS SG : rot 180:sc= -0.0916 USER MOD Set 1.2: A 79 SER OG : rot 94:sc= 0.0576 USER MOD Set 2.1: A 50 GLN : amide:sc= 0.635 K(o=1.3,f=-0.52) USER MOD Set 2.2: A 64 GLN : amide:sc= 0.655 K(o=1.3,f=-0.52) USER MOD Set 3.1: A 47 GLN : amide:sc= 0.173 K(o=0.17,f=-9.2!) USER MOD Set 3.2: A 83 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.123) USER MOD Set 4.1: A 42 HIS : no HE2:sc= 0.764 K(o=2.6,f=-6.4!) USER MOD Set 4.2: A 45 ASN : amide:sc= 1.79 K(o=2.6,f=-9.7!) USER MOD Set 5.1: A 21 GLN : amide:sc= -1.22! C(o=1.4!,f=-0.74!) USER MOD Set 5.2: A 72 ASN : amide:sc= 1.67 K(o=1.4,f=-6.8!) USER MOD Set 5.3: A 74 ASN : amide:sc= 0.904 K(o=1.4,f=-0.35) USER MOD Set 6.1: A 18 LYS NZ :NH3+ -177:sc= 0.242! (180deg=-1.14!) USER MOD Set 6.2: A 20 ASN : amide:sc= 1.68 K(o=2.3,f=-7.1!) USER MOD Set 6.3: A 25 LYS NZ :NH3+ 154:sc= 0.387 (180deg=-1.77!) USER MOD Set 7.1: A 13 THR OG1 : rot 78:sc= 1.89 USER MOD Set 7.2: A 69 LYS NZ :NH3+ 154:sc= 2.31 (180deg=0.195) USER MOD Single : A 5 ASN : amide:sc= 0.23 K(o=0.23,f=-3.1!) USER MOD Single : A 19 TYR OH : rot -12:sc= -0.0116 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0715 USER MOD Single : A 26 SER OG : rot 40:sc= 1 USER MOD Single : A 41 GLN : amide:sc= 1.64 K(o=1.6,f=-5.4!) USER MOD Single : A 43 CYS SG : rot 160:sc= -0.356 USER MOD Single : A 46 CYS SG : rot -64:sc= -0.137 USER MOD Single : A 49 MET CE :methyl -164:sc= -0.0426 (180deg=-0.358) USER MOD Single : A 57 THR OG1 : rot 125:sc= 1.2 USER MOD Single : A 61 LYS NZ :NH3+ -164:sc= 2.96 (180deg=2.21) USER MOD Single : A 63 CYS SG : rot -55:sc= 0.419 USER MOD Single : A 81 THR OG1 : rot 84:sc= 0.62 USER MOD ----------------------------------------------------------------- ATOM 14 N ALA A 2 -2.548 7.948 12.503 1.00 0.00 N ATOM 15 CA ALA A 2 -3.226 6.791 11.929 1.00 0.00 C ATOM 16 C ALA A 2 -4.725 7.107 11.846 1.00 0.00 C ATOM 17 O ALA A 2 -5.340 7.307 12.892 1.00 0.00 O ATOM 18 CB ALA A 2 -2.957 5.531 12.759 1.00 0.00 C ATOM 0 HA ALA A 2 -2.843 6.590 10.928 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -3.474 4.683 12.310 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.885 5.333 12.782 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.320 5.681 13.776 1.00 0.00 H new ATOM 24 N PRO A 3 -5.314 7.225 10.645 1.00 0.00 N ATOM 25 CA PRO A 3 -6.726 7.537 10.495 1.00 0.00 C ATOM 26 C PRO A 3 -7.602 6.368 10.924 1.00 0.00 C ATOM 27 O PRO A 3 -7.168 5.218 10.941 1.00 0.00 O ATOM 28 CB PRO A 3 -6.947 7.867 9.014 1.00 0.00 C ATOM 29 CG PRO A 3 -5.737 7.271 8.291 1.00 0.00 C ATOM 30 CD PRO A 3 -4.653 7.121 9.357 1.00 0.00 C ATOM 0 HA PRO A 3 -7.002 8.378 11.132 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.878 7.434 8.648 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.011 8.943 8.855 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.983 6.308 7.844 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.404 7.922 7.482 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.145 6.161 9.260 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -3.894 7.896 9.248 1.00 0.00 H new ATOM 38 N ALA A 4 -8.869 6.669 11.218 1.00 0.00 N ATOM 39 CA ALA A 4 -9.865 5.638 11.456 1.00 0.00 C ATOM 40 C ALA A 4 -9.980 4.758 10.210 1.00 0.00 C ATOM 41 O ALA A 4 -9.917 3.534 10.280 1.00 0.00 O ATOM 42 CB ALA A 4 -11.205 6.288 11.811 1.00 0.00 C ATOM 0 H ALA A 4 -9.224 7.622 11.296 1.00 0.00 H new ATOM 0 HA ALA A 4 -9.567 5.010 12.295 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -11.950 5.512 11.989 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -11.089 6.893 12.710 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -11.531 6.922 10.987 1.00 0.00 H new ATOM 48 N ASN A 5 -10.072 5.401 9.045 1.00 0.00 N ATOM 49 CA ASN A 5 -10.089 4.760 7.732 1.00 0.00 C ATOM 50 C ASN A 5 -8.665 4.450 7.280 1.00 0.00 C ATOM 51 O ASN A 5 -8.307 4.672 6.129 1.00 0.00 O ATOM 52 CB ASN A 5 -10.831 5.627 6.698 1.00 0.00 C ATOM 53 CG ASN A 5 -10.545 7.119 6.846 1.00 0.00 C ATOM 54 OD1 ASN A 5 -10.875 7.731 7.858 1.00 0.00 O ATOM 55 ND2 ASN A 5 -9.885 7.708 5.862 1.00 0.00 N ATOM 0 H ASN A 5 -10.139 6.417 8.989 1.00 0.00 H new ATOM 0 HA ASN A 5 -10.634 3.820 7.813 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.547 5.307 5.695 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -11.903 5.458 6.795 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.638 8.695 5.933 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.624 7.175 5.033 1.00 0.00 H new ATOM 62 N ALA A 6 -7.850 3.899 8.170 1.00 0.00 N ATOM 63 CA ALA A 6 -6.581 3.303 7.795 1.00 0.00 C ATOM 64 C ALA A 6 -6.826 1.885 7.302 1.00 0.00 C ATOM 65 O ALA A 6 -7.560 1.133 7.939 1.00 0.00 O ATOM 66 CB ALA A 6 -5.668 3.279 9.016 1.00 0.00 C ATOM 0 H ALA A 6 -8.052 3.854 9.169 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.110 3.883 7.002 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.711 2.833 8.746 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.507 4.297 9.370 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.133 2.690 9.806 1.00 0.00 H new ATOM 72 N VAL A 7 -6.189 1.493 6.198 1.00 0.00 N ATOM 73 CA VAL A 7 -6.101 0.077 5.891 1.00 0.00 C ATOM 74 C VAL A 7 -5.180 -0.560 6.927 1.00 0.00 C ATOM 75 O VAL A 7 -3.970 -0.313 6.926 1.00 0.00 O ATOM 76 CB VAL A 7 -5.576 -0.182 4.479 1.00 0.00 C ATOM 77 CG1 VAL A 7 -5.561 -1.685 4.177 1.00 0.00 C ATOM 78 CG2 VAL A 7 -6.437 0.502 3.419 1.00 0.00 C ATOM 0 H VAL A 7 -5.742 2.117 5.526 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.099 -0.360 5.928 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.566 0.227 4.442 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.184 -1.850 3.167 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.915 -2.193 4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.573 -2.082 4.256 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.030 0.293 2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.457 0.123 3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.439 1.578 3.591 1.00 0.00 H new ATOM 88 N ALA A 8 -5.774 -1.376 7.794 1.00 0.00 N ATOM 89 CA ALA A 8 -5.049 -2.149 8.784 1.00 0.00 C ATOM 90 C ALA A 8 -4.086 -3.102 8.086 1.00 0.00 C ATOM 91 O ALA A 8 -4.415 -3.662 7.040 1.00 0.00 O ATOM 92 CB ALA A 8 -6.004 -2.941 9.683 1.00 0.00 C ATOM 0 H ALA A 8 -6.784 -1.517 7.825 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.490 -1.456 9.414 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.429 -3.509 10.414 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.670 -2.252 10.202 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.594 -3.626 9.073 1.00 0.00 H new ATOM 98 N ALA A 9 -2.917 -3.295 8.706 1.00 0.00 N ATOM 99 CA ALA A 9 -1.860 -4.186 8.255 1.00 0.00 C ATOM 100 C ALA A 9 -2.412 -5.435 7.578 1.00 0.00 C ATOM 101 O ALA A 9 -2.085 -5.705 6.427 1.00 0.00 O ATOM 102 CB ALA A 9 -0.976 -4.560 9.448 1.00 0.00 C ATOM 0 H ALA A 9 -2.678 -2.811 9.572 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.266 -3.662 7.506 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.181 -5.228 9.117 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.537 -3.657 9.873 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.579 -5.061 10.205 1.00 0.00 H new ATOM 108 N ASP A 10 -3.272 -6.155 8.299 1.00 0.00 N ATOM 109 CA ASP A 10 -3.803 -7.439 7.872 1.00 0.00 C ATOM 110 C ASP A 10 -5.336 -7.358 7.842 1.00 0.00 C ATOM 111 O ASP A 10 -6.024 -8.272 8.295 1.00 0.00 O ATOM 112 CB ASP A 10 -3.243 -8.545 8.789 1.00 0.00 C ATOM 113 CG ASP A 10 -1.717 -8.541 8.918 1.00 0.00 C ATOM 114 OD1 ASP A 10 -0.989 -8.404 7.904 1.00 0.00 O ATOM 115 OD2 ASP A 10 -1.221 -8.650 10.063 1.00 0.00 O ATOM 0 H ASP A 10 -3.621 -5.853 9.209 1.00 0.00 H new ATOM 0 HA ASP A 10 -3.489 -7.694 6.860 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.681 -8.435 9.781 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.561 -9.515 8.406 1.00 0.00 H new ATOM 120 N ASP A 11 -5.874 -6.251 7.302 1.00 0.00 N ATOM 121 CA ASP A 11 -7.294 -6.126 6.952 1.00 0.00 C ATOM 122 C ASP A 11 -7.710 -7.318 6.068 1.00 0.00 C ATOM 123 O ASP A 11 -6.883 -7.928 5.393 1.00 0.00 O ATOM 124 CB ASP A 11 -7.515 -4.754 6.273 1.00 0.00 C ATOM 125 CG ASP A 11 -8.949 -4.347 5.943 1.00 0.00 C ATOM 126 OD1 ASP A 11 -9.769 -5.212 5.565 1.00 0.00 O ATOM 127 OD2 ASP A 11 -9.213 -3.125 5.954 1.00 0.00 O ATOM 0 H ASP A 11 -5.329 -5.414 7.096 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.929 -6.159 7.838 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.090 -3.987 6.920 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.942 -4.743 5.346 1.00 0.00 H new ATOM 132 N ALA A 12 -8.999 -7.637 6.017 1.00 0.00 N ATOM 133 CA ALA A 12 -9.506 -8.671 5.119 1.00 0.00 C ATOM 134 C ALA A 12 -9.327 -8.188 3.680 1.00 0.00 C ATOM 135 O ALA A 12 -8.860 -8.908 2.797 1.00 0.00 O ATOM 136 CB ALA A 12 -10.979 -8.941 5.437 1.00 0.00 C ATOM 0 H ALA A 12 -9.716 -7.192 6.590 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.958 -9.604 5.250 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -11.360 -9.713 4.768 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.073 -9.277 6.470 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -11.555 -8.025 5.300 1.00 0.00 H new ATOM 142 N THR A 13 -9.656 -6.914 3.483 1.00 0.00 N ATOM 143 CA THR A 13 -9.428 -6.170 2.260 1.00 0.00 C ATOM 144 C THR A 13 -7.944 -6.224 1.913 1.00 0.00 C ATOM 145 O THR A 13 -7.571 -6.432 0.762 1.00 0.00 O ATOM 146 CB THR A 13 -9.844 -4.707 2.477 1.00 0.00 C ATOM 147 OG1 THR A 13 -10.978 -4.590 3.316 1.00 0.00 O ATOM 148 CG2 THR A 13 -10.135 -4.033 1.132 1.00 0.00 C ATOM 0 H THR A 13 -10.108 -6.353 4.206 1.00 0.00 H new ATOM 0 HA THR A 13 -10.012 -6.603 1.448 1.00 0.00 H new ATOM 0 HB THR A 13 -9.010 -4.209 2.971 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.708 -4.716 4.250 1.00 0.00 H new ATOM 0 HG21 THR A 13 -10.429 -2.997 1.300 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.240 -4.060 0.510 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.944 -4.562 0.627 1.00 0.00 H new ATOM 156 N ALA A 14 -7.089 -6.025 2.921 1.00 0.00 N ATOM 157 CA ALA A 14 -5.659 -6.079 2.708 1.00 0.00 C ATOM 158 C ALA A 14 -5.278 -7.459 2.212 1.00 0.00 C ATOM 159 O ALA A 14 -4.627 -7.577 1.187 1.00 0.00 O ATOM 160 CB ALA A 14 -4.875 -5.729 3.971 1.00 0.00 C ATOM 0 H ALA A 14 -7.370 -5.827 3.881 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.400 -5.332 1.958 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.806 -5.783 3.763 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.132 -4.719 4.291 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.126 -6.435 4.763 1.00 0.00 H new ATOM 166 N ILE A 15 -5.715 -8.504 2.909 1.00 0.00 N ATOM 167 CA ILE A 15 -5.444 -9.886 2.565 1.00 0.00 C ATOM 168 C ILE A 15 -5.879 -10.167 1.122 1.00 0.00 C ATOM 169 O ILE A 15 -5.121 -10.769 0.366 1.00 0.00 O ATOM 170 CB ILE A 15 -6.052 -10.795 3.642 1.00 0.00 C ATOM 171 CG1 ILE A 15 -5.134 -10.703 4.873 1.00 0.00 C ATOM 172 CG2 ILE A 15 -6.197 -12.245 3.169 1.00 0.00 C ATOM 173 CD1 ILE A 15 -5.819 -11.130 6.167 1.00 0.00 C ATOM 0 H ILE A 15 -6.282 -8.404 3.751 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.376 -10.105 2.568 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.063 -10.464 3.879 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.256 -11.328 4.711 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.780 -9.677 4.978 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.632 -12.846 3.967 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.847 -12.279 2.294 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.216 -12.642 2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.117 -11.042 6.996 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.681 -10.489 6.351 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.149 -12.165 6.080 1.00 0.00 H new ATOM 185 N ALA A 16 -7.039 -9.661 0.695 1.00 0.00 N ATOM 186 CA ALA A 16 -7.466 -9.756 -0.701 1.00 0.00 C ATOM 187 C ALA A 16 -6.447 -9.159 -1.694 1.00 0.00 C ATOM 188 O ALA A 16 -6.371 -9.600 -2.838 1.00 0.00 O ATOM 189 CB ALA A 16 -8.848 -9.115 -0.866 1.00 0.00 C ATOM 0 H ALA A 16 -7.702 -9.179 1.302 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.527 -10.816 -0.948 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.161 -9.188 -1.907 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.568 -9.634 -0.233 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.799 -8.066 -0.575 1.00 0.00 H new ATOM 195 N LEU A 17 -5.663 -8.167 -1.264 1.00 0.00 N ATOM 196 CA LEU A 17 -4.599 -7.506 -2.028 1.00 0.00 C ATOM 197 C LEU A 17 -3.217 -7.990 -1.577 1.00 0.00 C ATOM 198 O LEU A 17 -2.201 -7.493 -2.051 1.00 0.00 O ATOM 199 CB LEU A 17 -4.781 -5.988 -1.903 1.00 0.00 C ATOM 200 CG LEU A 17 -6.169 -5.512 -2.380 1.00 0.00 C ATOM 201 CD1 LEU A 17 -6.229 -3.989 -2.283 1.00 0.00 C ATOM 202 CD2 LEU A 17 -6.466 -5.923 -3.827 1.00 0.00 C ATOM 0 H LEU A 17 -5.757 -7.782 -0.324 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.667 -7.769 -3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.638 -5.694 -0.863 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.009 -5.485 -2.485 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.915 -5.983 -1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.206 -3.641 -2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.070 -3.684 -1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.453 -3.553 -2.913 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.455 -5.563 -4.112 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.717 -5.489 -4.490 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.438 -7.009 -3.910 1.00 0.00 H new ATOM 214 N LYS A 18 -3.159 -8.950 -0.651 1.00 0.00 N ATOM 215 CA LYS A 18 -2.055 -9.153 0.264 1.00 0.00 C ATOM 216 C LYS A 18 -1.304 -7.876 0.639 1.00 0.00 C ATOM 217 O LYS A 18 -0.091 -7.924 0.844 1.00 0.00 O ATOM 218 CB LYS A 18 -1.185 -10.331 -0.201 1.00 0.00 C ATOM 219 CG LYS A 18 -1.740 -11.619 0.414 1.00 0.00 C ATOM 220 CD LYS A 18 -1.261 -11.971 1.841 1.00 0.00 C ATOM 221 CE LYS A 18 -1.017 -10.857 2.887 1.00 0.00 C ATOM 222 NZ LYS A 18 0.182 -10.026 2.626 1.00 0.00 N ATOM 0 H LYS A 18 -3.911 -9.627 -0.521 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.469 -9.446 1.229 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.189 -10.399 -1.289 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.150 -10.181 0.105 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.828 -11.548 0.428 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.484 -12.448 -0.245 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.995 -12.656 2.266 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.328 -12.526 1.739 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.893 -10.209 2.921 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.920 -11.314 3.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.302 -9.339 3.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.022 -10.636 2.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.064 -9.519 1.726 1.00 0.00 H new ATOM 236 N TYR A 19 -2.037 -6.776 0.845 1.00 0.00 N ATOM 237 CA TYR A 19 -1.467 -5.561 1.384 1.00 0.00 C ATOM 238 C TYR A 19 -0.852 -5.846 2.741 1.00 0.00 C ATOM 239 O TYR A 19 -1.335 -6.699 3.484 1.00 0.00 O ATOM 240 CB TYR A 19 -2.474 -4.401 1.443 1.00 0.00 C ATOM 241 CG TYR A 19 -2.089 -3.214 2.325 1.00 0.00 C ATOM 242 CD1 TYR A 19 -2.413 -3.228 3.695 1.00 0.00 C ATOM 243 CD2 TYR A 19 -1.448 -2.081 1.789 1.00 0.00 C ATOM 244 CE1 TYR A 19 -2.322 -2.056 4.459 1.00 0.00 C ATOM 245 CE2 TYR A 19 -1.251 -0.941 2.596 1.00 0.00 C ATOM 246 CZ TYR A 19 -1.812 -0.886 3.882 1.00 0.00 C ATOM 247 OH TYR A 19 -1.903 0.299 4.554 1.00 0.00 O ATOM 0 H TYR A 19 -3.034 -6.714 0.641 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.684 -5.228 0.703 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.635 -4.036 0.429 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.428 -4.794 1.795 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.734 -4.148 4.161 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.108 -2.085 0.764 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.644 -2.055 5.490 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.669 -0.111 2.225 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.510 0.197 5.317 1.00 0.00 H new ATOM 257 N ASN A 20 0.206 -5.108 3.058 1.00 0.00 N ATOM 258 CA ASN A 20 0.767 -5.031 4.375 1.00 0.00 C ATOM 259 C ASN A 20 1.278 -3.605 4.546 1.00 0.00 C ATOM 260 O ASN A 20 2.158 -3.165 3.806 1.00 0.00 O ATOM 261 CB ASN A 20 1.851 -6.100 4.502 1.00 0.00 C ATOM 262 CG ASN A 20 1.295 -7.344 5.172 1.00 0.00 C ATOM 263 OD1 ASN A 20 1.071 -8.372 4.538 1.00 0.00 O ATOM 264 ND2 ASN A 20 1.040 -7.241 6.465 1.00 0.00 N ATOM 0 H ASN A 20 0.702 -4.535 2.375 1.00 0.00 H new ATOM 0 HA ASN A 20 0.049 -5.231 5.170 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.238 -6.353 3.515 1.00 0.00 H new ATOM 0 HB3 ASN A 20 2.688 -5.711 5.082 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.643 -8.033 6.971 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.240 -6.370 6.956 1.00 0.00 H new ATOM 271 N GLN A 21 0.679 -2.874 5.491 1.00 0.00 N ATOM 272 CA GLN A 21 1.119 -1.554 5.928 1.00 0.00 C ATOM 273 C GLN A 21 2.541 -1.705 6.457 1.00 0.00 C ATOM 274 O GLN A 21 3.440 -0.945 6.098 1.00 0.00 O ATOM 275 CB GLN A 21 0.163 -1.041 7.023 1.00 0.00 C ATOM 276 CG GLN A 21 -0.060 0.474 7.131 1.00 0.00 C ATOM 277 CD GLN A 21 1.001 1.246 7.904 1.00 0.00 C ATOM 278 OE1 GLN A 21 0.702 1.998 8.824 1.00 0.00 O ATOM 279 NE2 GLN A 21 2.251 1.146 7.487 1.00 0.00 N ATOM 0 H GLN A 21 -0.152 -3.199 5.986 1.00 0.00 H new ATOM 0 HA GLN A 21 1.107 -0.831 5.112 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.808 -1.511 6.866 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.536 -1.393 7.985 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.121 0.886 6.124 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.026 0.647 7.605 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.484 0.515 6.720 1.00 0.00 H new ATOM 0 HE22 GLN A 21 2.983 1.699 7.932 1.00 0.00 H new ATOM 288 N ASP A 22 2.724 -2.701 7.316 1.00 0.00 N ATOM 289 CA ASP A 22 3.996 -3.192 7.787 1.00 0.00 C ATOM 290 C ASP A 22 4.661 -3.945 6.638 1.00 0.00 C ATOM 291 O ASP A 22 4.790 -5.165 6.663 1.00 0.00 O ATOM 292 CB ASP A 22 3.753 -4.077 9.022 1.00 0.00 C ATOM 293 CG ASP A 22 2.726 -5.193 8.823 1.00 0.00 C ATOM 294 OD1 ASP A 22 1.916 -5.116 7.868 1.00 0.00 O ATOM 295 OD2 ASP A 22 2.710 -6.103 9.676 1.00 0.00 O ATOM 0 H ASP A 22 1.938 -3.211 7.720 1.00 0.00 H new ATOM 0 HA ASP A 22 4.664 -2.387 8.093 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.700 -4.524 9.322 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.424 -3.443 9.846 1.00 0.00 H new ATOM 300 N ALA A 23 5.098 -3.204 5.616 1.00 0.00 N ATOM 301 CA ALA A 23 5.679 -3.773 4.407 1.00 0.00 C ATOM 302 C ALA A 23 6.831 -4.740 4.700 1.00 0.00 C ATOM 303 O ALA A 23 7.015 -5.706 3.969 1.00 0.00 O ATOM 304 CB ALA A 23 6.119 -2.660 3.457 1.00 0.00 C ATOM 0 H ALA A 23 5.056 -2.185 5.609 1.00 0.00 H new ATOM 0 HA ALA A 23 4.902 -4.364 3.923 1.00 0.00 H new ATOM 0 HB1 ALA A 23 6.551 -3.099 2.558 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.256 -2.052 3.185 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.864 -2.035 3.949 1.00 0.00 H new ATOM 310 N THR A 24 7.592 -4.533 5.774 1.00 0.00 N ATOM 311 CA THR A 24 8.647 -5.450 6.181 1.00 0.00 C ATOM 312 C THR A 24 8.113 -6.852 6.525 1.00 0.00 C ATOM 313 O THR A 24 8.851 -7.826 6.412 1.00 0.00 O ATOM 314 CB THR A 24 9.400 -4.811 7.353 1.00 0.00 C ATOM 315 OG1 THR A 24 8.474 -4.174 8.218 1.00 0.00 O ATOM 316 CG2 THR A 24 10.367 -3.743 6.831 1.00 0.00 C ATOM 0 H THR A 24 7.491 -3.722 6.385 1.00 0.00 H new ATOM 0 HA THR A 24 9.330 -5.610 5.347 1.00 0.00 H new ATOM 0 HB THR A 24 9.948 -5.590 7.882 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.954 -3.767 8.969 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.899 -3.293 7.669 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.084 -4.203 6.151 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.807 -2.973 6.301 1.00 0.00 H new ATOM 324 N LYS A 25 6.846 -6.971 6.942 1.00 0.00 N ATOM 325 CA LYS A 25 6.183 -8.254 7.151 1.00 0.00 C ATOM 326 C LYS A 25 5.696 -8.852 5.823 1.00 0.00 C ATOM 327 O LYS A 25 5.310 -10.018 5.788 1.00 0.00 O ATOM 328 CB LYS A 25 4.985 -8.085 8.105 1.00 0.00 C ATOM 329 CG LYS A 25 4.678 -9.396 8.857 1.00 0.00 C ATOM 330 CD LYS A 25 3.439 -9.270 9.755 1.00 0.00 C ATOM 331 CE LYS A 25 2.145 -9.265 8.923 1.00 0.00 C ATOM 332 NZ LYS A 25 1.193 -8.231 9.365 1.00 0.00 N ATOM 0 H LYS A 25 6.251 -6.168 7.144 1.00 0.00 H new ATOM 0 HA LYS A 25 6.910 -8.935 7.593 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.198 -7.293 8.823 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.107 -7.774 7.538 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.523 -10.199 8.136 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.539 -9.675 9.465 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.415 -10.098 10.464 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.502 -8.352 10.339 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.392 -9.102 7.874 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.670 -10.244 8.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.580 -7.961 8.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.610 -8.605 10.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.717 -7.396 9.697 1.00 0.00 H new ATOM 346 N SER A 26 5.640 -8.054 4.751 1.00 0.00 N ATOM 347 CA SER A 26 5.061 -8.497 3.495 1.00 0.00 C ATOM 348 C SER A 26 5.919 -9.587 2.851 1.00 0.00 C ATOM 349 O SER A 26 7.104 -9.754 3.134 1.00 0.00 O ATOM 350 CB SER A 26 4.910 -7.316 2.524 1.00 0.00 C ATOM 351 OG SER A 26 4.352 -7.703 1.280 1.00 0.00 O ATOM 0 H SER A 26 5.992 -7.097 4.737 1.00 0.00 H new ATOM 0 HA SER A 26 4.076 -8.910 3.710 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.279 -6.554 2.980 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.886 -6.862 2.355 1.00 0.00 H new ATOM 0 HG SER A 26 3.635 -8.354 1.431 1.00 0.00 H new ATOM 357 N GLU A 27 5.298 -10.256 1.889 1.00 0.00 N ATOM 358 CA GLU A 27 5.873 -11.191 0.950 1.00 0.00 C ATOM 359 C GLU A 27 6.468 -10.464 -0.261 1.00 0.00 C ATOM 360 O GLU A 27 6.870 -11.124 -1.218 1.00 0.00 O ATOM 361 CB GLU A 27 4.794 -12.200 0.525 1.00 0.00 C ATOM 362 CG GLU A 27 3.534 -11.549 -0.069 1.00 0.00 C ATOM 363 CD GLU A 27 2.613 -10.988 0.998 1.00 0.00 C ATOM 364 OE1 GLU A 27 1.854 -11.776 1.593 1.00 0.00 O ATOM 365 OE2 GLU A 27 2.699 -9.774 1.293 1.00 0.00 O ATOM 0 H GLU A 27 4.295 -10.144 1.739 1.00 0.00 H new ATOM 0 HA GLU A 27 6.692 -11.727 1.430 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.219 -12.884 -0.210 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.509 -12.799 1.390 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.828 -10.749 -0.748 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.992 -12.287 -0.661 1.00 0.00 H new ATOM 372 N ARG A 28 6.550 -9.127 -0.255 1.00 0.00 N ATOM 373 CA ARG A 28 7.068 -8.369 -1.386 1.00 0.00 C ATOM 374 C ARG A 28 8.433 -8.884 -1.851 1.00 0.00 C ATOM 375 O ARG A 28 8.678 -8.995 -3.047 1.00 0.00 O ATOM 376 CB ARG A 28 7.075 -6.873 -1.058 1.00 0.00 C ATOM 377 CG ARG A 28 7.951 -6.489 0.131 1.00 0.00 C ATOM 378 CD ARG A 28 7.976 -4.969 0.298 1.00 0.00 C ATOM 379 NE ARG A 28 8.877 -4.599 1.403 1.00 0.00 N ATOM 380 CZ ARG A 28 9.253 -3.351 1.718 1.00 0.00 C ATOM 381 NH1 ARG A 28 8.868 -2.304 0.989 1.00 0.00 N ATOM 382 NH2 ARG A 28 10.097 -3.131 2.727 1.00 0.00 N ATOM 0 H ARG A 28 6.259 -8.549 0.533 1.00 0.00 H new ATOM 0 HA ARG A 28 6.400 -8.517 -2.235 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.415 -6.323 -1.936 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.052 -6.553 -0.858 1.00 0.00 H new ATOM 0 HG2 ARG A 28 7.570 -6.956 1.039 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.964 -6.863 -0.018 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.309 -4.499 -0.627 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.970 -4.600 0.499 1.00 0.00 H new ATOM 0 HE ARG A 28 9.246 -5.357 1.977 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.274 -2.443 0.171 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.167 -1.364 1.249 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.462 -3.916 3.267 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.377 -2.178 2.959 1.00 0.00 H new ATOM 396 N VAL A 29 9.298 -9.242 -0.902 1.00 0.00 N ATOM 397 CA VAL A 29 10.577 -9.910 -1.134 1.00 0.00 C ATOM 398 C VAL A 29 10.409 -11.179 -1.973 1.00 0.00 C ATOM 399 O VAL A 29 11.177 -11.417 -2.899 1.00 0.00 O ATOM 400 CB VAL A 29 11.249 -10.151 0.232 1.00 0.00 C ATOM 401 CG1 VAL A 29 11.851 -11.546 0.426 1.00 0.00 C ATOM 402 CG2 VAL A 29 12.330 -9.097 0.493 1.00 0.00 C ATOM 0 H VAL A 29 9.119 -9.068 0.087 1.00 0.00 H new ATOM 0 HA VAL A 29 11.235 -9.277 -1.729 1.00 0.00 H new ATOM 0 HB VAL A 29 10.437 -10.069 0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 29 12.299 -11.614 1.417 1.00 0.00 H new ATOM 0 HG12 VAL A 29 11.067 -12.297 0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 29 12.616 -11.721 -0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 29 12.793 -9.283 1.462 1.00 0.00 H new ATOM 0 HG22 VAL A 29 13.088 -9.152 -0.288 1.00 0.00 H new ATOM 0 HG23 VAL A 29 11.879 -8.105 0.491 1.00 0.00 H new ATOM 412 N ALA A 30 9.410 -11.997 -1.641 1.00 0.00 N ATOM 413 CA ALA A 30 9.132 -13.238 -2.349 1.00 0.00 C ATOM 414 C ALA A 30 8.579 -12.937 -3.742 1.00 0.00 C ATOM 415 O ALA A 30 9.008 -13.526 -4.729 1.00 0.00 O ATOM 416 CB ALA A 30 8.153 -14.101 -1.542 1.00 0.00 C ATOM 0 H ALA A 30 8.770 -11.813 -0.869 1.00 0.00 H new ATOM 0 HA ALA A 30 10.060 -13.797 -2.465 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.953 -15.026 -2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.589 -14.335 -0.571 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.220 -13.556 -1.399 1.00 0.00 H new ATOM 422 N ALA A 31 7.610 -12.019 -3.813 1.00 0.00 N ATOM 423 CA ALA A 31 6.972 -11.634 -5.063 1.00 0.00 C ATOM 424 C ALA A 31 7.976 -11.010 -6.036 1.00 0.00 C ATOM 425 O ALA A 31 7.902 -11.257 -7.237 1.00 0.00 O ATOM 426 CB ALA A 31 5.822 -10.667 -4.768 1.00 0.00 C ATOM 0 H ALA A 31 7.249 -11.523 -2.998 1.00 0.00 H new ATOM 0 HA ALA A 31 6.576 -12.528 -5.544 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.342 -10.377 -5.703 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.093 -11.155 -4.122 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.212 -9.780 -4.269 1.00 0.00 H new ATOM 432 N ALA A 32 8.877 -10.173 -5.509 1.00 0.00 N ATOM 433 CA ALA A 32 9.905 -9.431 -6.231 1.00 0.00 C ATOM 434 C ALA A 32 9.392 -8.896 -7.570 1.00 0.00 C ATOM 435 O ALA A 32 9.979 -9.151 -8.621 1.00 0.00 O ATOM 436 CB ALA A 32 11.164 -10.291 -6.382 1.00 0.00 C ATOM 0 H ALA A 32 8.906 -9.988 -4.506 1.00 0.00 H new ATOM 0 HA ALA A 32 10.172 -8.551 -5.646 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.926 -9.729 -6.922 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.542 -10.559 -5.395 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.921 -11.198 -6.936 1.00 0.00 H new ATOM 442 N ARG A 33 8.285 -8.145 -7.533 1.00 0.00 N ATOM 443 CA ARG A 33 7.676 -7.628 -8.752 1.00 0.00 C ATOM 444 C ARG A 33 8.679 -6.740 -9.497 1.00 0.00 C ATOM 445 O ARG A 33 9.404 -5.991 -8.847 1.00 0.00 O ATOM 446 CB ARG A 33 6.367 -6.905 -8.438 1.00 0.00 C ATOM 447 CG ARG A 33 5.342 -8.021 -8.260 1.00 0.00 C ATOM 448 CD ARG A 33 3.984 -7.523 -7.801 1.00 0.00 C ATOM 449 NE ARG A 33 3.303 -6.606 -8.733 1.00 0.00 N ATOM 450 CZ ARG A 33 2.773 -6.932 -9.921 1.00 0.00 C ATOM 451 NH1 ARG A 33 2.933 -8.165 -10.410 1.00 0.00 N ATOM 452 NH2 ARG A 33 2.077 -6.021 -10.606 1.00 0.00 N ATOM 0 H ARG A 33 7.799 -7.886 -6.674 1.00 0.00 H new ATOM 0 HA ARG A 33 7.420 -8.457 -9.412 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.455 -6.300 -7.535 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.083 -6.231 -9.246 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.226 -8.552 -9.205 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.721 -8.741 -7.534 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.339 -8.384 -7.628 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.105 -7.018 -6.843 1.00 0.00 H new ATOM 0 HE ARG A 33 3.228 -5.630 -8.447 1.00 0.00 H new ATOM 0 HH11 ARG A 33 3.459 -8.860 -9.880 1.00 0.00 H new ATOM 0 HH12 ARG A 33 2.529 -8.412 -11.314 1.00 0.00 H new ATOM 0 HH21 ARG A 33 1.951 -5.083 -10.225 1.00 0.00 H new ATOM 0 HH22 ARG A 33 1.672 -6.263 -11.510 1.00 0.00 H new ATOM 466 N PRO A 34 8.767 -6.820 -10.831 1.00 0.00 N ATOM 467 CA PRO A 34 9.748 -6.057 -11.580 1.00 0.00 C ATOM 468 C PRO A 34 9.480 -4.557 -11.436 1.00 0.00 C ATOM 469 O PRO A 34 8.328 -4.129 -11.362 1.00 0.00 O ATOM 470 CB PRO A 34 9.627 -6.538 -13.028 1.00 0.00 C ATOM 471 CG PRO A 34 8.189 -7.052 -13.114 1.00 0.00 C ATOM 472 CD PRO A 34 7.942 -7.622 -11.717 1.00 0.00 C ATOM 0 HA PRO A 34 10.763 -6.210 -11.214 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.807 -5.729 -13.736 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.348 -7.324 -13.252 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.488 -6.252 -13.353 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.078 -7.814 -13.886 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.889 -7.554 -11.444 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.217 -8.675 -11.666 1.00 0.00 H new ATOM 480 N GLY A 35 10.553 -3.765 -11.390 1.00 0.00 N ATOM 481 CA GLY A 35 10.491 -2.320 -11.243 1.00 0.00 C ATOM 482 C GLY A 35 11.679 -1.826 -10.423 1.00 0.00 C ATOM 483 O GLY A 35 12.564 -1.168 -10.960 1.00 0.00 O ATOM 0 H GLY A 35 11.506 -4.123 -11.456 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.494 -1.846 -12.225 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.559 -2.036 -10.755 1.00 0.00 H new ATOM 487 N LEU A 36 11.692 -2.151 -9.128 1.00 0.00 N ATOM 488 CA LEU A 36 12.717 -1.765 -8.161 1.00 0.00 C ATOM 489 C LEU A 36 12.796 -2.909 -7.140 1.00 0.00 C ATOM 490 O LEU A 36 11.903 -3.762 -7.126 1.00 0.00 O ATOM 491 CB LEU A 36 12.337 -0.419 -7.508 1.00 0.00 C ATOM 492 CG LEU A 36 13.334 0.743 -7.668 1.00 0.00 C ATOM 493 CD1 LEU A 36 13.587 1.117 -9.132 1.00 0.00 C ATOM 494 CD2 LEU A 36 12.781 1.967 -6.928 1.00 0.00 C ATOM 0 H LEU A 36 10.954 -2.716 -8.708 1.00 0.00 H new ATOM 0 HA LEU A 36 13.692 -1.616 -8.625 1.00 0.00 H new ATOM 0 HB2 LEU A 36 11.379 -0.102 -7.919 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.185 -0.591 -6.442 1.00 0.00 H new ATOM 0 HG LEU A 36 14.287 0.418 -7.251 1.00 0.00 H new ATOM 0 HD11 LEU A 36 14.298 1.942 -9.179 1.00 0.00 H new ATOM 0 HD12 LEU A 36 13.994 0.256 -9.662 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.649 1.419 -9.598 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.476 2.800 -7.032 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.817 2.244 -7.354 1.00 0.00 H new ATOM 0 HD23 LEU A 36 12.656 1.728 -5.872 1.00 0.00 H new ATOM 506 N PRO A 37 13.847 -2.973 -6.310 1.00 0.00 N ATOM 507 CA PRO A 37 14.085 -4.095 -5.421 1.00 0.00 C ATOM 508 C PRO A 37 13.022 -4.089 -4.317 1.00 0.00 C ATOM 509 O PRO A 37 12.511 -3.021 -3.969 1.00 0.00 O ATOM 510 CB PRO A 37 15.514 -3.907 -4.904 1.00 0.00 C ATOM 511 CG PRO A 37 15.750 -2.399 -4.986 1.00 0.00 C ATOM 512 CD PRO A 37 14.791 -1.902 -6.071 1.00 0.00 C ATOM 0 HA PRO A 37 14.003 -5.069 -5.903 1.00 0.00 H new ATOM 0 HB2 PRO A 37 15.618 -4.271 -3.882 1.00 0.00 H new ATOM 0 HB3 PRO A 37 16.233 -4.456 -5.513 1.00 0.00 H new ATOM 0 HG2 PRO A 37 15.548 -1.916 -4.030 1.00 0.00 H new ATOM 0 HG3 PRO A 37 16.785 -2.176 -5.243 1.00 0.00 H new ATOM 0 HD2 PRO A 37 14.277 -0.997 -5.748 1.00 0.00 H new ATOM 0 HD3 PRO A 37 15.333 -1.653 -6.983 1.00 0.00 H new ATOM 520 N PRO A 38 12.647 -5.269 -3.791 1.00 0.00 N ATOM 521 CA PRO A 38 11.411 -5.454 -3.050 1.00 0.00 C ATOM 522 C PRO A 38 11.293 -4.456 -1.911 1.00 0.00 C ATOM 523 O PRO A 38 10.253 -3.830 -1.744 1.00 0.00 O ATOM 524 CB PRO A 38 11.384 -6.911 -2.582 1.00 0.00 C ATOM 525 CG PRO A 38 12.819 -7.405 -2.767 1.00 0.00 C ATOM 526 CD PRO A 38 13.393 -6.510 -3.864 1.00 0.00 C ATOM 0 HA PRO A 38 10.541 -5.261 -3.678 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.070 -6.987 -1.541 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.683 -7.503 -3.170 1.00 0.00 H new ATOM 0 HG2 PRO A 38 13.391 -7.317 -1.843 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.843 -8.455 -3.058 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.458 -6.336 -3.710 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.285 -6.974 -4.844 1.00 0.00 H new ATOM 534 N GLU A 39 12.361 -4.249 -1.148 1.00 0.00 N ATOM 535 CA GLU A 39 12.263 -3.399 0.019 1.00 0.00 C ATOM 536 C GLU A 39 11.950 -1.930 -0.303 1.00 0.00 C ATOM 537 O GLU A 39 11.291 -1.257 0.502 1.00 0.00 O ATOM 538 CB GLU A 39 13.418 -3.669 0.979 1.00 0.00 C ATOM 539 CG GLU A 39 13.361 -5.136 1.458 1.00 0.00 C ATOM 540 CD GLU A 39 12.082 -5.412 2.250 1.00 0.00 C ATOM 541 OE1 GLU A 39 11.966 -4.859 3.365 1.00 0.00 O ATOM 542 OE2 GLU A 39 11.134 -5.999 1.684 1.00 0.00 O ATOM 0 H GLU A 39 13.283 -4.651 -1.316 1.00 0.00 H new ATOM 0 HA GLU A 39 11.368 -3.676 0.577 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.369 -3.474 0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.360 -2.994 1.833 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.410 -5.804 0.598 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.230 -5.352 2.079 1.00 0.00 H new ATOM 549 N GLU A 40 12.305 -1.457 -1.502 1.00 0.00 N ATOM 550 CA GLU A 40 11.917 -0.132 -1.964 1.00 0.00 C ATOM 551 C GLU A 40 10.513 -0.113 -2.575 1.00 0.00 C ATOM 552 O GLU A 40 10.009 0.963 -2.897 1.00 0.00 O ATOM 553 CB GLU A 40 12.932 0.394 -2.979 1.00 0.00 C ATOM 554 CG GLU A 40 14.326 0.548 -2.367 1.00 0.00 C ATOM 555 CD GLU A 40 15.229 1.318 -3.320 1.00 0.00 C ATOM 556 OE1 GLU A 40 15.479 0.777 -4.418 1.00 0.00 O ATOM 557 OE2 GLU A 40 15.614 2.446 -2.948 1.00 0.00 O ATOM 0 H GLU A 40 12.866 -1.983 -2.172 1.00 0.00 H new ATOM 0 HA GLU A 40 11.901 0.518 -1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.982 -0.287 -3.828 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.596 1.357 -3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.258 1.072 -1.414 1.00 0.00 H new ATOM 0 HG3 GLU A 40 14.753 -0.434 -2.161 1.00 0.00 H new ATOM 564 N GLN A 41 9.862 -1.264 -2.749 1.00 0.00 N ATOM 565 CA GLN A 41 8.505 -1.308 -3.266 1.00 0.00 C ATOM 566 C GLN A 41 7.554 -0.927 -2.147 1.00 0.00 C ATOM 567 O GLN A 41 7.489 -1.628 -1.136 1.00 0.00 O ATOM 568 CB GLN A 41 8.142 -2.709 -3.759 1.00 0.00 C ATOM 569 CG GLN A 41 9.085 -3.166 -4.865 1.00 0.00 C ATOM 570 CD GLN A 41 8.633 -4.466 -5.510 1.00 0.00 C ATOM 571 OE1 GLN A 41 7.538 -4.970 -5.252 1.00 0.00 O ATOM 572 NE2 GLN A 41 9.488 -4.997 -6.373 1.00 0.00 N ATOM 0 H GLN A 41 10.260 -2.179 -2.537 1.00 0.00 H new ATOM 0 HA GLN A 41 8.429 -0.617 -4.105 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.185 -3.412 -2.927 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.116 -2.713 -4.127 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.151 -2.389 -5.627 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.086 -3.296 -4.455 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.382 -4.540 -6.551 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.251 -5.862 -6.859 1.00 0.00 H new ATOM 581 N HIS A 42 6.800 0.154 -2.317 1.00 0.00 N ATOM 582 CA HIS A 42 5.723 0.485 -1.406 1.00 0.00 C ATOM 583 C HIS A 42 4.812 1.517 -2.064 1.00 0.00 C ATOM 584 O HIS A 42 5.178 2.074 -3.100 1.00 0.00 O ATOM 585 CB HIS A 42 6.265 0.912 -0.024 1.00 0.00 C ATOM 586 CG HIS A 42 7.588 1.635 0.004 1.00 0.00 C ATOM 587 ND1 HIS A 42 8.103 2.431 -0.996 1.00 0.00 N ATOM 588 CD2 HIS A 42 8.525 1.544 0.997 1.00 0.00 C ATOM 589 CE1 HIS A 42 9.341 2.807 -0.631 1.00 0.00 C ATOM 590 NE2 HIS A 42 9.618 2.281 0.579 1.00 0.00 N ATOM 0 H HIS A 42 6.920 0.816 -3.084 1.00 0.00 H new ATOM 0 HA HIS A 42 5.117 -0.398 -1.204 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.520 1.553 0.448 1.00 0.00 H new ATOM 0 HB3 HIS A 42 6.355 0.019 0.594 1.00 0.00 H new ATOM 0 HD1 HIS A 42 7.628 2.689 -1.861 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.430 1.002 1.926 1.00 0.00 H new ATOM 0 HE1 HIS A 42 10.005 3.429 -1.212 1.00 0.00 H new ATOM 599 N CYS A 43 3.639 1.751 -1.476 1.00 0.00 N ATOM 600 CA CYS A 43 2.606 2.646 -1.972 1.00 0.00 C ATOM 601 C CYS A 43 3.211 4.006 -2.366 1.00 0.00 C ATOM 602 O CYS A 43 2.882 4.576 -3.403 1.00 0.00 O ATOM 603 CB CYS A 43 1.489 2.745 -0.958 1.00 0.00 C ATOM 604 SG CYS A 43 0.715 1.127 -0.595 1.00 0.00 S ATOM 0 H CYS A 43 3.376 1.298 -0.601 1.00 0.00 H new ATOM 0 HA CYS A 43 2.166 2.244 -2.885 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.880 3.171 -0.034 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.728 3.432 -1.329 1.00 0.00 H new ATOM 0 HG CYS A 43 0.091 1.190 0.544 1.00 0.00 H new ATOM 609 N ALA A 44 4.169 4.495 -1.569 1.00 0.00 N ATOM 610 CA ALA A 44 4.956 5.700 -1.815 1.00 0.00 C ATOM 611 C ALA A 44 5.371 5.868 -3.281 1.00 0.00 C ATOM 612 O ALA A 44 5.286 6.967 -3.822 1.00 0.00 O ATOM 613 CB ALA A 44 6.218 5.677 -0.945 1.00 0.00 C ATOM 0 H ALA A 44 4.425 4.036 -0.695 1.00 0.00 H new ATOM 0 HA ALA A 44 4.315 6.544 -1.560 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.804 6.577 -1.130 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.934 5.639 0.107 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.814 4.799 -1.192 1.00 0.00 H new ATOM 619 N ASN A 45 5.864 4.790 -3.901 1.00 0.00 N ATOM 620 CA ASN A 45 6.341 4.770 -5.280 1.00 0.00 C ATOM 621 C ASN A 45 5.530 3.774 -6.105 1.00 0.00 C ATOM 622 O ASN A 45 6.040 3.217 -7.078 1.00 0.00 O ATOM 623 CB ASN A 45 7.852 4.479 -5.342 1.00 0.00 C ATOM 624 CG ASN A 45 8.284 3.179 -4.657 1.00 0.00 C ATOM 625 OD1 ASN A 45 7.689 2.743 -3.676 1.00 0.00 O ATOM 626 ND2 ASN A 45 9.375 2.564 -5.097 1.00 0.00 N ATOM 0 H ASN A 45 5.943 3.883 -3.440 1.00 0.00 H new ATOM 0 HA ASN A 45 6.194 5.759 -5.715 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.158 4.441 -6.388 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.387 5.310 -4.883 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.718 1.730 -4.620 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.870 2.925 -5.912 1.00 0.00 H new ATOM 633 N CYS A 46 4.263 3.578 -5.736 1.00 0.00 N ATOM 634 CA CYS A 46 3.323 2.741 -6.453 1.00 0.00 C ATOM 635 C CYS A 46 2.493 3.614 -7.398 1.00 0.00 C ATOM 636 O CYS A 46 2.247 4.792 -7.125 1.00 0.00 O ATOM 637 CB CYS A 46 2.444 2.062 -5.449 1.00 0.00 C ATOM 638 SG CYS A 46 1.326 0.901 -6.238 1.00 0.00 S ATOM 0 H CYS A 46 3.860 4.013 -4.906 1.00 0.00 H new ATOM 0 HA CYS A 46 3.843 1.989 -7.047 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.060 1.537 -4.719 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.869 2.809 -4.902 1.00 0.00 H new ATOM 0 HG CYS A 46 0.507 1.546 -7.014 1.00 0.00 H new ATOM 643 N GLN A 47 2.086 3.056 -8.535 1.00 0.00 N ATOM 644 CA GLN A 47 1.226 3.742 -9.472 1.00 0.00 C ATOM 645 C GLN A 47 -0.163 3.929 -8.838 1.00 0.00 C ATOM 646 O GLN A 47 -0.571 3.147 -7.988 1.00 0.00 O ATOM 647 CB GLN A 47 1.220 3.002 -10.819 1.00 0.00 C ATOM 648 CG GLN A 47 0.598 3.817 -11.967 1.00 0.00 C ATOM 649 CD GLN A 47 1.029 5.286 -12.075 1.00 0.00 C ATOM 650 OE1 GLN A 47 0.649 6.117 -11.254 1.00 0.00 O ATOM 651 NE2 GLN A 47 1.803 5.650 -13.085 1.00 0.00 N ATOM 0 H GLN A 47 2.348 2.114 -8.825 1.00 0.00 H new ATOM 0 HA GLN A 47 1.599 4.742 -9.693 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.244 2.739 -11.084 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.670 2.068 -10.708 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.839 3.321 -12.907 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.486 3.786 -11.859 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.116 4.956 -13.764 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.087 6.625 -13.185 1.00 0.00 H new ATOM 660 N PHE A 48 -0.863 5.003 -9.221 1.00 0.00 N ATOM 661 CA PHE A 48 -2.185 5.394 -8.738 1.00 0.00 C ATOM 662 C PHE A 48 -2.341 5.406 -7.210 1.00 0.00 C ATOM 663 O PHE A 48 -3.457 5.286 -6.692 1.00 0.00 O ATOM 664 CB PHE A 48 -3.306 4.660 -9.492 1.00 0.00 C ATOM 665 CG PHE A 48 -3.234 3.140 -9.534 1.00 0.00 C ATOM 666 CD1 PHE A 48 -3.360 2.371 -8.361 1.00 0.00 C ATOM 667 CD2 PHE A 48 -3.043 2.488 -10.768 1.00 0.00 C ATOM 668 CE1 PHE A 48 -3.228 0.973 -8.415 1.00 0.00 C ATOM 669 CE2 PHE A 48 -2.870 1.095 -10.816 1.00 0.00 C ATOM 670 CZ PHE A 48 -2.948 0.337 -9.635 1.00 0.00 C ATOM 0 H PHE A 48 -0.499 5.656 -9.915 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.291 6.450 -8.987 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.258 4.941 -9.041 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.319 5.026 -10.518 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.559 2.857 -7.417 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -3.030 3.063 -11.682 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.342 0.386 -7.516 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.677 0.607 -11.760 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.793 -0.731 -9.666 1.00 0.00 H new ATOM 680 N MET A 49 -1.239 5.673 -6.504 1.00 0.00 N ATOM 681 CA MET A 49 -1.265 6.226 -5.163 1.00 0.00 C ATOM 682 C MET A 49 -1.624 7.711 -5.296 1.00 0.00 C ATOM 683 O MET A 49 -1.155 8.377 -6.220 1.00 0.00 O ATOM 684 CB MET A 49 0.100 5.984 -4.505 1.00 0.00 C ATOM 685 CG MET A 49 0.187 6.544 -3.080 1.00 0.00 C ATOM 686 SD MET A 49 0.508 8.320 -2.916 1.00 0.00 S ATOM 687 CE MET A 49 2.152 8.462 -3.652 1.00 0.00 C ATOM 0 H MET A 49 -0.297 5.507 -6.859 1.00 0.00 H new ATOM 0 HA MET A 49 -2.008 5.752 -4.521 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.301 4.913 -4.481 1.00 0.00 H new ATOM 0 HB3 MET A 49 0.878 6.441 -5.117 1.00 0.00 H new ATOM 0 HG2 MET A 49 -0.750 6.320 -2.570 1.00 0.00 H new ATOM 0 HG3 MET A 49 0.974 6.007 -2.552 1.00 0.00 H new ATOM 0 HE1 MET A 49 2.594 9.418 -3.372 1.00 0.00 H new ATOM 0 HE2 MET A 49 2.784 7.650 -3.291 1.00 0.00 H new ATOM 0 HE3 MET A 49 2.071 8.403 -4.737 1.00 0.00 H new ATOM 697 N GLN A 50 -2.502 8.204 -4.417 1.00 0.00 N ATOM 698 CA GLN A 50 -3.136 9.513 -4.509 1.00 0.00 C ATOM 699 C GLN A 50 -2.905 10.293 -3.214 1.00 0.00 C ATOM 700 O GLN A 50 -3.305 9.856 -2.134 1.00 0.00 O ATOM 701 CB GLN A 50 -4.634 9.317 -4.754 1.00 0.00 C ATOM 702 CG GLN A 50 -4.896 8.685 -6.127 1.00 0.00 C ATOM 703 CD GLN A 50 -6.352 8.272 -6.297 1.00 0.00 C ATOM 704 OE1 GLN A 50 -7.051 8.751 -7.184 1.00 0.00 O ATOM 705 NE2 GLN A 50 -6.815 7.324 -5.488 1.00 0.00 N ATOM 0 H GLN A 50 -2.798 7.680 -3.594 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.704 10.081 -5.333 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.052 8.682 -3.973 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.144 10.278 -4.690 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.627 9.394 -6.910 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.255 7.813 -6.253 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.216 6.940 -4.757 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.769 6.981 -5.598 1.00 0.00 H new ATOM 714 N ALA A 51 -2.270 11.459 -3.332 1.00 0.00 N ATOM 715 CA ALA A 51 -2.036 12.410 -2.245 1.00 0.00 C ATOM 716 C ALA A 51 -3.139 13.466 -2.191 1.00 0.00 C ATOM 717 O ALA A 51 -3.480 13.971 -1.125 1.00 0.00 O ATOM 718 CB ALA A 51 -0.651 13.037 -2.395 1.00 0.00 C ATOM 0 H ALA A 51 -1.890 11.780 -4.222 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.065 11.877 -1.294 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.482 13.744 -1.583 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.108 12.255 -2.359 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.589 13.559 -3.350 1.00 0.00 H new ATOM 724 N ASP A 52 -3.721 13.741 -3.354 1.00 0.00 N ATOM 725 CA ASP A 52 -4.957 14.466 -3.585 1.00 0.00 C ATOM 726 C ASP A 52 -6.159 13.822 -2.882 1.00 0.00 C ATOM 727 O ASP A 52 -7.176 14.486 -2.689 1.00 0.00 O ATOM 728 CB ASP A 52 -5.189 14.473 -5.104 1.00 0.00 C ATOM 729 CG ASP A 52 -5.154 13.060 -5.685 1.00 0.00 C ATOM 730 OD1 ASP A 52 -4.050 12.465 -5.623 1.00 0.00 O ATOM 731 OD2 ASP A 52 -6.221 12.586 -6.121 1.00 0.00 O ATOM 0 H ASP A 52 -3.301 13.434 -4.231 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.866 15.472 -3.177 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.152 14.933 -5.323 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.426 15.084 -5.586 1.00 0.00 H new ATOM 736 N ALA A 53 -6.067 12.540 -2.511 1.00 0.00 N ATOM 737 CA ALA A 53 -7.148 11.809 -1.871 1.00 0.00 C ATOM 738 C ALA A 53 -7.587 12.501 -0.579 1.00 0.00 C ATOM 739 O ALA A 53 -6.900 12.410 0.438 1.00 0.00 O ATOM 740 CB ALA A 53 -6.698 10.374 -1.588 1.00 0.00 C ATOM 0 H ALA A 53 -5.226 11.981 -2.652 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.005 11.789 -2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.509 9.826 -1.108 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.434 9.884 -2.525 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.830 10.388 -0.929 1.00 0.00 H new ATOM 746 N ALA A 54 -8.738 13.178 -0.610 1.00 0.00 N ATOM 747 CA ALA A 54 -9.311 13.832 0.556 1.00 0.00 C ATOM 748 C ALA A 54 -9.347 12.862 1.739 1.00 0.00 C ATOM 749 O ALA A 54 -9.906 11.772 1.630 1.00 0.00 O ATOM 750 CB ALA A 54 -10.715 14.345 0.234 1.00 0.00 C ATOM 0 H ALA A 54 -9.299 13.285 -1.455 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.687 14.684 0.828 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -11.135 14.833 1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.662 15.060 -0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.351 13.508 -0.055 1.00 0.00 H new ATOM 756 N GLY A 55 -8.723 13.253 2.851 1.00 0.00 N ATOM 757 CA GLY A 55 -8.563 12.410 4.027 1.00 0.00 C ATOM 758 C GLY A 55 -7.108 11.985 4.228 1.00 0.00 C ATOM 759 O GLY A 55 -6.731 11.679 5.356 1.00 0.00 O ATOM 0 H GLY A 55 -8.310 14.179 2.957 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.910 12.948 4.909 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -9.190 11.524 3.927 1.00 0.00 H new ATOM 763 N ALA A 56 -6.293 11.960 3.166 1.00 0.00 N ATOM 764 CA ALA A 56 -4.863 11.684 3.248 1.00 0.00 C ATOM 765 C ALA A 56 -4.222 12.517 4.361 1.00 0.00 C ATOM 766 O ALA A 56 -4.454 13.724 4.424 1.00 0.00 O ATOM 767 CB ALA A 56 -4.209 12.003 1.900 1.00 0.00 C ATOM 0 H ALA A 56 -6.618 12.134 2.215 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.712 10.630 3.482 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.140 11.798 1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.656 11.383 1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.365 13.055 1.660 1.00 0.00 H new ATOM 773 N THR A 57 -3.434 11.881 5.237 1.00 0.00 N ATOM 774 CA THR A 57 -2.827 12.549 6.385 1.00 0.00 C ATOM 775 C THR A 57 -1.321 12.704 6.197 1.00 0.00 C ATOM 776 O THR A 57 -0.871 13.156 5.143 1.00 0.00 O ATOM 777 CB THR A 57 -3.276 11.943 7.731 1.00 0.00 C ATOM 778 OG1 THR A 57 -2.657 10.707 8.001 1.00 0.00 O ATOM 779 CG2 THR A 57 -4.783 11.709 7.795 1.00 0.00 C ATOM 0 H THR A 57 -3.202 10.890 5.166 1.00 0.00 H new ATOM 0 HA THR A 57 -3.209 13.569 6.435 1.00 0.00 H new ATOM 0 HB THR A 57 -2.978 12.684 8.473 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.213 10.747 8.873 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.044 11.282 8.763 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.304 12.657 7.664 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.078 11.021 7.003 1.00 0.00 H new ATOM 787 N ASP A 58 -0.539 12.324 7.201 1.00 0.00 N ATOM 788 CA ASP A 58 0.882 12.411 7.291 1.00 0.00 C ATOM 789 C ASP A 58 1.412 11.246 6.453 1.00 0.00 C ATOM 790 O ASP A 58 1.781 11.429 5.289 1.00 0.00 O ATOM 791 CB ASP A 58 1.299 12.350 8.783 1.00 0.00 C ATOM 792 CG ASP A 58 0.259 12.141 9.892 1.00 0.00 C ATOM 793 OD1 ASP A 58 -0.794 11.501 9.655 1.00 0.00 O ATOM 794 OD2 ASP A 58 0.581 12.459 11.057 1.00 0.00 O ATOM 0 H ASP A 58 -0.939 11.911 8.043 1.00 0.00 H new ATOM 0 HA ASP A 58 1.295 13.345 6.910 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.030 11.546 8.877 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.819 13.281 9.006 1.00 0.00 H new ATOM 799 N GLU A 59 1.347 10.021 6.981 1.00 0.00 N ATOM 800 CA GLU A 59 1.887 8.852 6.337 1.00 0.00 C ATOM 801 C GLU A 59 0.866 8.267 5.370 1.00 0.00 C ATOM 802 O GLU A 59 1.166 7.286 4.694 1.00 0.00 O ATOM 803 CB GLU A 59 2.232 7.803 7.400 1.00 0.00 C ATOM 804 CG GLU A 59 3.000 8.318 8.628 1.00 0.00 C ATOM 805 CD GLU A 59 2.079 8.742 9.763 1.00 0.00 C ATOM 806 OE1 GLU A 59 0.925 9.123 9.470 1.00 0.00 O ATOM 807 OE2 GLU A 59 2.498 8.714 10.942 1.00 0.00 O ATOM 0 H GLU A 59 0.909 9.826 7.881 1.00 0.00 H new ATOM 0 HA GLU A 59 2.784 9.132 5.784 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.305 7.342 7.742 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.823 7.018 6.929 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.673 7.538 8.984 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.621 9.164 8.334 1.00 0.00 H new ATOM 814 N TRP A 60 -0.355 8.814 5.345 1.00 0.00 N ATOM 815 CA TRP A 60 -1.492 8.085 4.821 1.00 0.00 C ATOM 816 C TRP A 60 -2.021 8.762 3.576 1.00 0.00 C ATOM 817 O TRP A 60 -2.129 9.991 3.560 1.00 0.00 O ATOM 818 CB TRP A 60 -2.536 7.985 5.916 1.00 0.00 C ATOM 819 CG TRP A 60 -2.041 7.263 7.119 1.00 0.00 C ATOM 820 CD1 TRP A 60 -1.378 7.837 8.141 1.00 0.00 C ATOM 821 CD2 TRP A 60 -2.093 5.839 7.422 1.00 0.00 C ATOM 822 NE1 TRP A 60 -1.027 6.880 9.059 1.00 0.00 N ATOM 823 CE2 TRP A 60 -1.480 5.635 8.693 1.00 0.00 C ATOM 824 CE3 TRP A 60 -2.614 4.699 6.772 1.00 0.00 C ATOM 825 CZ2 TRP A 60 -1.443 4.387 9.318 1.00 0.00 C ATOM 826 CZ3 TRP A 60 -2.534 3.427 7.370 1.00 0.00 C ATOM 827 CH2 TRP A 60 -2.004 3.281 8.664 1.00 0.00 C ATOM 0 H TRP A 60 -0.570 9.753 5.681 1.00 0.00 H new ATOM 0 HA TRP A 60 -1.203 7.077 4.524 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -2.852 8.988 6.204 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -3.416 7.473 5.527 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -1.156 8.891 8.225 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -0.495 7.069 9.909 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.080 4.804 5.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -0.989 4.275 10.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -2.882 2.558 6.831 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -2.029 2.319 9.153 1.00 0.00 H new ATOM 838 N LYS A 61 -2.257 7.972 2.531 1.00 0.00 N ATOM 839 CA LYS A 61 -2.686 8.411 1.211 1.00 0.00 C ATOM 840 C LYS A 61 -3.823 7.515 0.708 1.00 0.00 C ATOM 841 O LYS A 61 -4.171 6.529 1.354 1.00 0.00 O ATOM 842 CB LYS A 61 -1.479 8.414 0.246 1.00 0.00 C ATOM 843 CG LYS A 61 -0.816 9.796 0.160 1.00 0.00 C ATOM 844 CD LYS A 61 0.167 10.114 1.296 1.00 0.00 C ATOM 845 CE LYS A 61 0.002 11.550 1.836 1.00 0.00 C ATOM 846 NZ LYS A 61 0.029 11.583 3.310 1.00 0.00 N ATOM 0 H LYS A 61 -2.148 6.959 2.588 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.071 9.430 1.264 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.746 7.680 0.580 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.808 8.107 -0.747 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.287 9.870 -0.790 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.596 10.557 0.151 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.019 9.404 2.110 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.187 9.979 0.937 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.799 12.181 1.443 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.940 11.967 1.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.348 12.493 3.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.554 10.808 3.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.008 11.471 3.642 1.00 0.00 H new ATOM 860 N GLY A 62 -4.411 7.862 -0.437 1.00 0.00 N ATOM 861 CA GLY A 62 -5.412 7.037 -1.101 1.00 0.00 C ATOM 862 C GLY A 62 -4.733 6.106 -2.101 1.00 0.00 C ATOM 863 O GLY A 62 -3.656 6.428 -2.600 1.00 0.00 O ATOM 0 H GLY A 62 -4.202 8.730 -0.931 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.963 6.454 -0.363 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.137 7.670 -1.613 1.00 0.00 H new ATOM 867 N CYS A 63 -5.367 4.973 -2.412 1.00 0.00 N ATOM 868 CA CYS A 63 -4.932 4.037 -3.441 1.00 0.00 C ATOM 869 C CYS A 63 -6.138 3.751 -4.338 1.00 0.00 C ATOM 870 O CYS A 63 -7.223 3.453 -3.828 1.00 0.00 O ATOM 871 CB CYS A 63 -4.396 2.778 -2.801 1.00 0.00 C ATOM 872 SG CYS A 63 -4.041 1.594 -4.122 1.00 0.00 S ATOM 0 H CYS A 63 -6.221 4.677 -1.939 1.00 0.00 H new ATOM 0 HA CYS A 63 -4.124 4.455 -4.041 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.494 2.994 -2.229 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -5.124 2.365 -2.103 1.00 0.00 H new ATOM 0 HG CYS A 63 -5.107 1.418 -4.845 1.00 0.00 H new ATOM 877 N GLN A 64 -5.995 3.898 -5.661 1.00 0.00 N ATOM 878 CA GLN A 64 -7.093 3.543 -6.554 1.00 0.00 C ATOM 879 C GLN A 64 -7.502 2.086 -6.347 1.00 0.00 C ATOM 880 O GLN A 64 -6.667 1.211 -6.146 1.00 0.00 O ATOM 881 CB GLN A 64 -6.762 3.818 -8.026 1.00 0.00 C ATOM 882 CG GLN A 64 -7.038 5.281 -8.389 1.00 0.00 C ATOM 883 CD GLN A 64 -8.529 5.618 -8.316 1.00 0.00 C ATOM 884 OE1 GLN A 64 -9.378 4.733 -8.367 1.00 0.00 O ATOM 885 NE2 GLN A 64 -8.875 6.893 -8.169 1.00 0.00 N ATOM 0 H GLN A 64 -5.155 4.249 -6.121 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.937 4.183 -6.298 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.715 3.584 -8.216 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -7.356 3.163 -8.664 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.485 5.933 -7.712 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.670 5.481 -9.395 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.156 7.615 -8.129 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.860 7.149 -8.097 1.00 0.00 H new ATOM 894 N LEU A 65 -8.816 1.852 -6.365 1.00 0.00 N ATOM 895 CA LEU A 65 -9.435 0.571 -6.051 1.00 0.00 C ATOM 896 C LEU A 65 -9.256 0.170 -4.579 1.00 0.00 C ATOM 897 O LEU A 65 -9.568 -0.966 -4.227 1.00 0.00 O ATOM 898 CB LEU A 65 -8.989 -0.540 -7.017 1.00 0.00 C ATOM 899 CG LEU A 65 -9.090 -0.156 -8.505 1.00 0.00 C ATOM 900 CD1 LEU A 65 -8.584 -1.323 -9.359 1.00 0.00 C ATOM 901 CD2 LEU A 65 -10.530 0.182 -8.912 1.00 0.00 C ATOM 0 H LEU A 65 -9.496 2.573 -6.606 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.507 0.705 -6.199 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.957 -0.810 -6.792 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.597 -1.427 -6.839 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.480 0.733 -8.666 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.653 -1.058 -10.414 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.546 -1.536 -9.105 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.193 -2.206 -9.166 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.557 0.447 -9.969 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.170 -0.683 -8.739 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.888 1.023 -8.318 1.00 0.00 H new ATOM 913 N PHE A 66 -8.863 1.102 -3.698 1.00 0.00 N ATOM 914 CA PHE A 66 -8.899 0.924 -2.248 1.00 0.00 C ATOM 915 C PHE A 66 -9.858 1.975 -1.666 1.00 0.00 C ATOM 916 O PHE A 66 -9.424 2.932 -1.028 1.00 0.00 O ATOM 917 CB PHE A 66 -7.459 1.016 -1.693 1.00 0.00 C ATOM 918 CG PHE A 66 -7.030 -0.085 -0.742 1.00 0.00 C ATOM 919 CD1 PHE A 66 -7.907 -0.595 0.236 1.00 0.00 C ATOM 920 CD2 PHE A 66 -5.713 -0.575 -0.819 1.00 0.00 C ATOM 921 CE1 PHE A 66 -7.501 -1.675 1.041 1.00 0.00 C ATOM 922 CE2 PHE A 66 -5.283 -1.593 0.046 1.00 0.00 C ATOM 923 CZ PHE A 66 -6.201 -2.193 0.925 1.00 0.00 C ATOM 0 H PHE A 66 -8.506 2.014 -3.983 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.276 -0.057 -1.959 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -6.768 1.027 -2.536 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -7.351 1.972 -1.180 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -8.886 -0.159 0.367 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.029 -0.165 -1.548 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.191 -2.107 1.750 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.252 -1.914 0.036 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.907 -3.051 1.511 1.00 0.00 H new ATOM 933 N PRO A 67 -11.173 1.855 -1.919 1.00 0.00 N ATOM 934 CA PRO A 67 -12.115 2.931 -1.661 1.00 0.00 C ATOM 935 C PRO A 67 -12.358 3.127 -0.168 1.00 0.00 C ATOM 936 O PRO A 67 -12.315 2.178 0.614 1.00 0.00 O ATOM 937 CB PRO A 67 -13.408 2.532 -2.374 1.00 0.00 C ATOM 938 CG PRO A 67 -13.340 1.004 -2.383 1.00 0.00 C ATOM 939 CD PRO A 67 -11.846 0.729 -2.547 1.00 0.00 C ATOM 0 HA PRO A 67 -11.727 3.882 -2.026 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -14.289 2.893 -1.844 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -13.454 2.940 -3.384 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.730 0.577 -1.459 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -13.921 0.579 -3.201 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.565 -0.211 -2.072 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.575 0.647 -3.600 1.00 0.00 H new ATOM 947 N GLY A 68 -12.612 4.376 0.226 1.00 0.00 N ATOM 948 CA GLY A 68 -12.979 4.769 1.582 1.00 0.00 C ATOM 949 C GLY A 68 -11.770 4.809 2.516 1.00 0.00 C ATOM 950 O GLY A 68 -11.620 5.732 3.314 1.00 0.00 O ATOM 0 H GLY A 68 -12.565 5.168 -0.415 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.451 5.751 1.559 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.717 4.069 1.975 1.00 0.00 H new ATOM 954 N LYS A 69 -10.928 3.782 2.435 1.00 0.00 N ATOM 955 CA LYS A 69 -9.772 3.617 3.298 1.00 0.00 C ATOM 956 C LYS A 69 -8.614 4.486 2.787 1.00 0.00 C ATOM 957 O LYS A 69 -8.677 5.036 1.688 1.00 0.00 O ATOM 958 CB LYS A 69 -9.344 2.139 3.347 1.00 0.00 C ATOM 959 CG LYS A 69 -10.521 1.159 3.242 1.00 0.00 C ATOM 960 CD LYS A 69 -10.225 -0.205 3.887 1.00 0.00 C ATOM 961 CE LYS A 69 -11.536 -0.972 4.122 1.00 0.00 C ATOM 962 NZ LYS A 69 -11.308 -2.327 4.664 1.00 0.00 N ATOM 0 H LYS A 69 -11.036 3.030 1.754 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.038 3.933 4.307 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.645 1.944 2.534 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.809 1.954 4.279 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.397 1.599 3.720 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.771 1.011 2.191 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.565 -0.786 3.242 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.703 -0.063 4.833 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.164 -0.409 4.812 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.083 -1.047 3.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.144 -2.630 5.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.141 -2.991 3.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.478 -2.315 5.290 1.00 0.00 H new ATOM 976 N LEU A 70 -7.538 4.572 3.570 1.00 0.00 N ATOM 977 CA LEU A 70 -6.278 5.191 3.197 1.00 0.00 C ATOM 978 C LEU A 70 -5.172 4.175 3.462 1.00 0.00 C ATOM 979 O LEU A 70 -5.165 3.537 4.518 1.00 0.00 O ATOM 980 CB LEU A 70 -6.041 6.451 4.038 1.00 0.00 C ATOM 981 CG LEU A 70 -7.082 7.552 3.783 1.00 0.00 C ATOM 982 CD1 LEU A 70 -7.012 8.566 4.926 1.00 0.00 C ATOM 983 CD2 LEU A 70 -6.856 8.268 2.447 1.00 0.00 C ATOM 0 H LEU A 70 -7.526 4.196 4.518 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.291 5.481 2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.056 6.183 5.094 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.047 6.843 3.822 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.066 7.085 3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.746 9.354 4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.226 8.065 5.870 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.014 9.002 4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.617 9.037 2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.869 8.730 2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.921 7.547 1.632 1.00 0.00 H new ATOM 995 N ILE A 71 -4.250 4.021 2.513 1.00 0.00 N ATOM 996 CA ILE A 71 -3.085 3.165 2.669 1.00 0.00 C ATOM 997 C ILE A 71 -1.954 4.006 3.245 1.00 0.00 C ATOM 998 O ILE A 71 -1.952 5.228 3.090 1.00 0.00 O ATOM 999 CB ILE A 71 -2.702 2.467 1.348 1.00 0.00 C ATOM 1000 CG1 ILE A 71 -1.808 3.241 0.363 1.00 0.00 C ATOM 1001 CG2 ILE A 71 -3.935 1.903 0.636 1.00 0.00 C ATOM 1002 CD1 ILE A 71 -2.327 4.593 -0.114 1.00 0.00 C ATOM 0 H ILE A 71 -4.295 4.492 1.609 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.309 2.352 3.360 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.053 1.661 1.689 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.837 3.396 0.834 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.641 2.612 -0.512 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.630 1.418 -0.291 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.427 1.175 1.281 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.627 2.714 0.410 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.608 5.037 -0.802 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.281 4.457 -0.624 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.464 5.253 0.743 1.00 0.00 H new ATOM 1014 N ASN A 72 -0.996 3.383 3.924 1.00 0.00 N ATOM 1015 CA ASN A 72 0.195 4.104 4.351 1.00 0.00 C ATOM 1016 C ASN A 72 1.192 4.079 3.198 1.00 0.00 C ATOM 1017 O ASN A 72 1.386 3.018 2.613 1.00 0.00 O ATOM 1018 CB ASN A 72 0.786 3.426 5.587 1.00 0.00 C ATOM 1019 CG ASN A 72 1.885 4.239 6.265 1.00 0.00 C ATOM 1020 OD1 ASN A 72 2.815 4.715 5.617 1.00 0.00 O ATOM 1021 ND2 ASN A 72 1.818 4.372 7.587 1.00 0.00 N ATOM 0 H ASN A 72 -1.020 2.398 4.186 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.045 5.135 4.611 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -0.012 3.240 6.306 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.189 2.455 5.300 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.549 4.879 8.086 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.036 3.967 8.101 1.00 0.00 H new ATOM 1028 N VAL A 73 1.853 5.200 2.897 1.00 0.00 N ATOM 1029 CA VAL A 73 2.893 5.275 1.867 1.00 0.00 C ATOM 1030 C VAL A 73 3.907 4.142 2.012 1.00 0.00 C ATOM 1031 O VAL A 73 4.431 3.614 1.037 1.00 0.00 O ATOM 1032 CB VAL A 73 3.615 6.633 1.912 1.00 0.00 C ATOM 1033 CG1 VAL A 73 2.614 7.751 1.671 1.00 0.00 C ATOM 1034 CG2 VAL A 73 4.385 6.906 3.214 1.00 0.00 C ATOM 0 H VAL A 73 1.680 6.089 3.366 1.00 0.00 H new ATOM 0 HA VAL A 73 2.398 5.170 0.901 1.00 0.00 H new ATOM 0 HB VAL A 73 4.366 6.596 1.123 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.127 8.712 1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.150 7.620 0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.845 7.724 2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.862 7.885 3.156 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.693 6.888 4.056 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.147 6.139 3.354 1.00 0.00 H new ATOM 1044 N ASN A 74 4.210 3.800 3.259 1.00 0.00 N ATOM 1045 CA ASN A 74 5.184 2.766 3.590 1.00 0.00 C ATOM 1046 C ASN A 74 4.712 1.354 3.228 1.00 0.00 C ATOM 1047 O ASN A 74 5.551 0.464 3.102 1.00 0.00 O ATOM 1048 CB ASN A 74 5.502 2.832 5.086 1.00 0.00 C ATOM 1049 CG ASN A 74 6.275 4.086 5.453 1.00 0.00 C ATOM 1050 OD1 ASN A 74 7.473 4.194 5.211 1.00 0.00 O ATOM 1051 ND2 ASN A 74 5.573 5.034 6.047 1.00 0.00 N ATOM 0 H ASN A 74 3.783 4.236 4.076 1.00 0.00 H new ATOM 0 HA ASN A 74 6.075 2.963 2.994 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.573 2.800 5.655 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.081 1.954 5.372 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.025 5.904 6.327 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.578 4.896 6.226 1.00 0.00 H new ATOM 1058 N GLY A 75 3.399 1.132 3.096 1.00 0.00 N ATOM 1059 CA GLY A 75 2.816 -0.184 2.864 1.00 0.00 C ATOM 1060 C GLY A 75 3.096 -0.715 1.461 1.00 0.00 C ATOM 1061 O GLY A 75 3.673 -0.013 0.640 1.00 0.00 O ATOM 0 H GLY A 75 2.705 1.878 3.149 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.210 -0.886 3.599 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.738 -0.132 3.020 1.00 0.00 H new ATOM 1065 N TRP A 76 2.701 -1.956 1.178 1.00 0.00 N ATOM 1066 CA TRP A 76 2.816 -2.592 -0.134 1.00 0.00 C ATOM 1067 C TRP A 76 1.560 -3.430 -0.340 1.00 0.00 C ATOM 1068 O TRP A 76 0.999 -3.844 0.671 1.00 0.00 O ATOM 1069 CB TRP A 76 4.055 -3.498 -0.121 1.00 0.00 C ATOM 1070 CG TRP A 76 4.341 -4.299 -1.360 1.00 0.00 C ATOM 1071 CD1 TRP A 76 5.236 -3.952 -2.306 1.00 0.00 C ATOM 1072 CD2 TRP A 76 3.858 -5.626 -1.745 1.00 0.00 C ATOM 1073 NE1 TRP A 76 5.372 -4.964 -3.234 1.00 0.00 N ATOM 1074 CE2 TRP A 76 4.537 -6.023 -2.937 1.00 0.00 C ATOM 1075 CE3 TRP A 76 2.972 -6.565 -1.172 1.00 0.00 C ATOM 1076 CZ2 TRP A 76 4.355 -7.284 -3.522 1.00 0.00 C ATOM 1077 CZ3 TRP A 76 2.796 -7.842 -1.738 1.00 0.00 C ATOM 1078 CH2 TRP A 76 3.509 -8.211 -2.892 1.00 0.00 C ATOM 0 H TRP A 76 2.279 -2.566 1.878 1.00 0.00 H new ATOM 0 HA TRP A 76 2.915 -1.859 -0.935 1.00 0.00 H new ATOM 0 HB2 TRP A 76 4.925 -2.875 0.085 1.00 0.00 H new ATOM 0 HB3 TRP A 76 3.955 -4.193 0.713 1.00 0.00 H new ATOM 0 HD1 TRP A 76 5.771 -3.014 -2.334 1.00 0.00 H new ATOM 0 HE1 TRP A 76 6.005 -4.934 -4.033 1.00 0.00 H new ATOM 0 HE3 TRP A 76 2.419 -6.298 -0.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 4.858 -7.539 -4.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 2.110 -8.541 -1.283 1.00 0.00 H new ATOM 0 HH2 TRP A 76 3.406 -9.208 -3.294 1.00 0.00 H new ATOM 1089 N CYS A 77 1.153 -3.700 -1.593 1.00 0.00 N ATOM 1090 CA CYS A 77 0.194 -4.747 -1.961 1.00 0.00 C ATOM 1091 C CYS A 77 0.681 -5.502 -3.199 1.00 0.00 C ATOM 1092 O CYS A 77 1.580 -5.045 -3.905 1.00 0.00 O ATOM 1093 CB CYS A 77 -1.219 -4.226 -2.153 1.00 0.00 C ATOM 1094 SG CYS A 77 -1.425 -3.470 -3.782 1.00 0.00 S ATOM 0 H CYS A 77 1.495 -3.177 -2.399 1.00 0.00 H new ATOM 0 HA CYS A 77 0.143 -5.439 -1.120 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -1.929 -5.044 -2.037 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.447 -3.494 -1.378 1.00 0.00 H new ATOM 0 HG CYS A 77 -2.645 -3.039 -3.909 1.00 0.00 H new ATOM 1099 N ALA A 78 0.079 -6.670 -3.441 1.00 0.00 N ATOM 1100 CA ALA A 78 0.414 -7.593 -4.516 1.00 0.00 C ATOM 1101 C ALA A 78 0.388 -6.911 -5.877 1.00 0.00 C ATOM 1102 O ALA A 78 1.208 -7.219 -6.740 1.00 0.00 O ATOM 1103 CB ALA A 78 -0.536 -8.792 -4.482 1.00 0.00 C ATOM 0 H ALA A 78 -0.690 -7.008 -2.863 1.00 0.00 H new ATOM 0 HA ALA A 78 1.434 -7.944 -4.359 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.282 -9.480 -5.288 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.442 -9.304 -3.524 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.562 -8.447 -4.609 1.00 0.00 H new ATOM 1109 N SER A 79 -0.550 -5.986 -6.080 1.00 0.00 N ATOM 1110 CA SER A 79 -0.611 -5.205 -7.299 1.00 0.00 C ATOM 1111 C SER A 79 0.708 -4.461 -7.504 1.00 0.00 C ATOM 1112 O SER A 79 1.313 -4.546 -8.576 1.00 0.00 O ATOM 1113 CB SER A 79 -1.796 -4.232 -7.231 1.00 0.00 C ATOM 1114 OG SER A 79 -2.913 -4.875 -6.642 1.00 0.00 O ATOM 0 H SER A 79 -1.281 -5.764 -5.404 1.00 0.00 H new ATOM 0 HA SER A 79 -0.762 -5.866 -8.153 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.523 -3.352 -6.649 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.051 -3.885 -8.232 1.00 0.00 H new ATOM 0 HG SER A 79 -2.930 -4.685 -5.681 1.00 0.00 H new ATOM 1120 N TRP A 80 1.150 -3.735 -6.471 1.00 0.00 N ATOM 1121 CA TRP A 80 2.125 -2.656 -6.575 1.00 0.00 C ATOM 1122 C TRP A 80 2.045 -1.992 -7.959 1.00 0.00 C ATOM 1123 O TRP A 80 0.956 -1.572 -8.347 1.00 0.00 O ATOM 1124 CB TRP A 80 3.518 -3.133 -6.129 1.00 0.00 C ATOM 1125 CG TRP A 80 4.545 -2.046 -5.992 1.00 0.00 C ATOM 1126 CD1 TRP A 80 4.420 -0.944 -5.219 1.00 0.00 C ATOM 1127 CD2 TRP A 80 5.813 -1.893 -6.694 1.00 0.00 C ATOM 1128 NE1 TRP A 80 5.493 -0.102 -5.421 1.00 0.00 N ATOM 1129 CE2 TRP A 80 6.388 -0.640 -6.326 1.00 0.00 C ATOM 1130 CE3 TRP A 80 6.524 -2.681 -7.627 1.00 0.00 C ATOM 1131 CZ2 TRP A 80 7.604 -0.192 -6.863 1.00 0.00 C ATOM 1132 CZ3 TRP A 80 7.752 -2.248 -8.156 1.00 0.00 C ATOM 1133 CH2 TRP A 80 8.288 -1.004 -7.781 1.00 0.00 C ATOM 0 H TRP A 80 0.827 -3.890 -5.516 1.00 0.00 H new ATOM 0 HA TRP A 80 1.886 -1.855 -5.876 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.421 -3.644 -5.171 1.00 0.00 H new ATOM 0 HB3 TRP A 80 3.882 -3.868 -6.847 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.600 -0.751 -4.543 1.00 0.00 H new ATOM 0 HE1 TRP A 80 5.611 0.801 -4.962 1.00 0.00 H new ATOM 0 HE3 TRP A 80 6.117 -3.632 -7.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 8.009 0.766 -6.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 8.287 -2.875 -8.854 1.00 0.00 H new ATOM 0 HH2 TRP A 80 9.227 -0.673 -8.200 1.00 0.00 H new ATOM 1144 N THR A 81 3.144 -2.001 -8.727 1.00 0.00 N ATOM 1145 CA THR A 81 3.363 -1.336 -10.009 1.00 0.00 C ATOM 1146 C THR A 81 4.132 -0.063 -9.698 1.00 0.00 C ATOM 1147 O THR A 81 3.556 0.861 -9.142 1.00 0.00 O ATOM 1148 CB THR A 81 2.070 -1.037 -10.799 1.00 0.00 C ATOM 1149 OG1 THR A 81 1.308 -2.220 -10.922 1.00 0.00 O ATOM 1150 CG2 THR A 81 2.352 -0.485 -12.199 1.00 0.00 C ATOM 0 H THR A 81 3.972 -2.521 -8.437 1.00 0.00 H new ATOM 0 HA THR A 81 3.919 -2.002 -10.669 1.00 0.00 H new ATOM 0 HB THR A 81 1.523 -0.276 -10.243 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.761 -2.342 -10.118 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.409 -0.292 -12.711 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.917 0.444 -12.117 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.931 -1.213 -12.767 1.00 0.00 H new ATOM 1158 N LEU A 82 5.424 -0.015 -10.034 1.00 0.00 N ATOM 1159 CA LEU A 82 6.229 1.193 -9.907 1.00 0.00 C ATOM 1160 C LEU A 82 5.453 2.358 -10.534 1.00 0.00 C ATOM 1161 O LEU A 82 4.933 2.200 -11.638 1.00 0.00 O ATOM 1162 CB LEU A 82 7.565 0.957 -10.631 1.00 0.00 C ATOM 1163 CG LEU A 82 8.739 1.850 -10.185 1.00 0.00 C ATOM 1164 CD1 LEU A 82 9.944 1.538 -11.078 1.00 0.00 C ATOM 1165 CD2 LEU A 82 8.462 3.354 -10.260 1.00 0.00 C ATOM 0 H LEU A 82 5.938 -0.816 -10.402 1.00 0.00 H new ATOM 0 HA LEU A 82 6.434 1.434 -8.864 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.853 -0.085 -10.491 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.408 1.104 -11.700 1.00 0.00 H new ATOM 0 HG LEU A 82 8.917 1.623 -9.134 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.788 2.160 -10.780 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.212 0.487 -10.973 1.00 0.00 H new ATOM 0 HD13 LEU A 82 9.690 1.745 -12.117 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.343 3.903 -9.927 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.229 3.630 -11.288 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.617 3.601 -9.618 1.00 0.00 H new ATOM 1177 N LYS A 83 5.338 3.491 -9.836 1.00 0.00 N ATOM 1178 CA LYS A 83 4.669 4.681 -10.344 1.00 0.00 C ATOM 1179 C LYS A 83 5.230 5.095 -11.707 1.00 0.00 C ATOM 1180 O LYS A 83 6.220 5.816 -11.806 1.00 0.00 O ATOM 1181 CB LYS A 83 4.754 5.824 -9.320 1.00 0.00 C ATOM 1182 CG LYS A 83 3.828 6.959 -9.773 1.00 0.00 C ATOM 1183 CD LYS A 83 3.603 8.031 -8.704 1.00 0.00 C ATOM 1184 CE LYS A 83 2.270 8.763 -8.944 1.00 0.00 C ATOM 1185 NZ LYS A 83 2.096 9.211 -10.343 1.00 0.00 N ATOM 0 H LYS A 83 5.712 3.604 -8.894 1.00 0.00 H new ATOM 0 HA LYS A 83 3.615 4.445 -10.493 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.461 5.469 -8.332 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.780 6.183 -9.239 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.250 7.428 -10.662 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.865 6.538 -10.061 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.599 7.572 -7.716 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.425 8.746 -8.720 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.446 8.102 -8.676 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.213 9.627 -8.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.290 9.865 -10.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.959 9.696 -10.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.917 8.387 -10.952 1.00 0.00 H new