USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 592 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 72 ASN : amide:sc= 2.51 K(o=3.4,f=-4.4!) USER MOD Set 1.2: A 74 ASN : amide:sc= 0.854 K(o=3.4,f=1.8) USER MOD Set 2.1: A 42 HIS : no HE2:sc= -0.0852 K(o=1.8,f=-4.9!) USER MOD Set 2.2: A 45 ASN : amide:sc= 1.87 K(o=1.8,f=-10!) USER MOD Set 3.1: A 20 ASN : amide:sc= 0.998 K(o=2.9,f=-9!) USER MOD Set 3.2: A 25 LYS NZ :NH3+ -179:sc= 1.89 (180deg=1.31) USER MOD Single : A 1 SER N :NH3+ 156:sc= 2.23 (180deg=-0.617!) USER MOD Single : A 1 SER OG : rot 84:sc= 1.3 USER MOD Single : A 5 ASN : amide:sc= -0.215 K(o=-0.22,f=-1.8!) USER MOD Single : A 13 THR OG1 : rot 95:sc= 1.25 USER MOD Single : A 18 LYS NZ :NH3+ -171:sc= 1.05 (180deg=0.645) USER MOD Single : A 19 TYR OH : rot -18:sc= 1.08 USER MOD Single : A 21 GLN : amide:sc= 0.577 K(o=0.58,f=-5.5!) USER MOD Single : A 24 THR OG1 : rot 89:sc= 1.35 USER MOD Single : A 26 SER OG : rot -126:sc= 0.471 USER MOD Single : A 41 GLN : amide:sc= 2.69 K(o=2.7,f=-5.7!) USER MOD Single : A 47 GLN : amide:sc= 0.756 K(o=0.76,f=0) USER MOD Single : A 49 MET CE :methyl 176:sc=-0.00104 (180deg=-0.0508) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 107:sc= 0.327 USER MOD Single : A 61 LYS NZ :NH3+ -169:sc= 2.95 (180deg=2.71) USER MOD Single : A 64 GLN : amide:sc= 0.452 K(o=0.45,f=-0.57) USER MOD Single : A 69 LYS NZ :NH3+ 172:sc= 1.94 (180deg=1.48) USER MOD Single : A 79 SER OG : rot 97:sc= 0.132 USER MOD Single : A 81 THR OG1 : rot 72:sc= 1.15 USER MOD Single : A 83 LYS NZ :NH3+ 166:sc= 0.863 (180deg=-0.355!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.096 9.140 11.635 1.00 0.00 N ATOM 2 CA SER A 1 -0.956 8.926 12.627 1.00 0.00 C ATOM 3 C SER A 1 -2.084 8.157 11.953 1.00 0.00 C ATOM 4 O SER A 1 -2.457 8.509 10.838 1.00 0.00 O ATOM 5 CB SER A 1 -1.463 10.263 13.160 1.00 0.00 C ATOM 6 OG SER A 1 -0.371 11.136 13.399 1.00 0.00 O ATOM 0 H1 SER A 1 0.665 9.968 11.905 1.00 0.00 H new ATOM 0 H2 SER A 1 0.707 8.300 11.591 1.00 0.00 H new ATOM 0 H3 SER A 1 -0.334 9.305 10.703 1.00 0.00 H new ATOM 0 HA SER A 1 -0.569 8.359 13.473 1.00 0.00 H new ATOM 0 HB2 SER A 1 -2.149 10.713 12.442 1.00 0.00 H new ATOM 0 HB3 SER A 1 -2.023 10.107 14.082 1.00 0.00 H new ATOM 0 HG SER A 1 -0.123 11.586 12.564 1.00 0.00 H new ATOM 14 N ALA A 2 -2.596 7.109 12.595 1.00 0.00 N ATOM 15 CA ALA A 2 -3.492 6.158 11.950 1.00 0.00 C ATOM 16 C ALA A 2 -4.916 6.723 11.849 1.00 0.00 C ATOM 17 O ALA A 2 -5.494 7.058 12.881 1.00 0.00 O ATOM 18 CB ALA A 2 -3.476 4.824 12.700 1.00 0.00 C ATOM 0 H ALA A 2 -2.401 6.898 13.574 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.138 5.983 10.934 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.149 4.122 12.208 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -2.464 4.418 12.699 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.803 4.981 13.728 1.00 0.00 H new ATOM 24 N PRO A 3 -5.497 6.840 10.642 1.00 0.00 N ATOM 25 CA PRO A 3 -6.875 7.265 10.479 1.00 0.00 C ATOM 26 C PRO A 3 -7.837 6.164 10.903 1.00 0.00 C ATOM 27 O PRO A 3 -7.490 4.985 10.927 1.00 0.00 O ATOM 28 CB PRO A 3 -7.057 7.582 8.992 1.00 0.00 C ATOM 29 CG PRO A 3 -5.948 6.790 8.295 1.00 0.00 C ATOM 30 CD PRO A 3 -4.873 6.569 9.359 1.00 0.00 C ATOM 0 HA PRO A 3 -7.088 8.134 11.102 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.043 7.280 8.639 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -6.963 8.651 8.799 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -6.324 5.841 7.914 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.549 7.340 7.443 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.494 5.548 9.321 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -4.023 7.231 9.194 1.00 0.00 H new ATOM 38 N ALA A 4 -9.084 6.558 11.175 1.00 0.00 N ATOM 39 CA ALA A 4 -10.154 5.605 11.405 1.00 0.00 C ATOM 40 C ALA A 4 -10.293 4.701 10.179 1.00 0.00 C ATOM 41 O ALA A 4 -10.347 3.480 10.284 1.00 0.00 O ATOM 42 CB ALA A 4 -11.456 6.355 11.702 1.00 0.00 C ATOM 0 H ALA A 4 -9.370 7.535 11.240 1.00 0.00 H new ATOM 0 HA ALA A 4 -9.925 4.980 12.268 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -12.258 5.637 11.874 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -11.325 6.973 12.590 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -11.713 6.989 10.853 1.00 0.00 H new ATOM 48 N ASN A 5 -10.281 5.315 8.995 1.00 0.00 N ATOM 49 CA ASN A 5 -10.366 4.626 7.708 1.00 0.00 C ATOM 50 C ASN A 5 -8.987 4.135 7.264 1.00 0.00 C ATOM 51 O ASN A 5 -8.664 4.146 6.080 1.00 0.00 O ATOM 52 CB ASN A 5 -11.046 5.509 6.638 1.00 0.00 C ATOM 53 CG ASN A 5 -10.808 7.002 6.831 1.00 0.00 C ATOM 54 OD1 ASN A 5 -11.295 7.604 7.783 1.00 0.00 O ATOM 55 ND2 ASN A 5 -10.005 7.602 5.966 1.00 0.00 N ATOM 0 H ASN A 5 -10.210 6.328 8.903 1.00 0.00 H new ATOM 0 HA ASN A 5 -10.999 3.747 7.833 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.681 5.217 5.653 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -12.119 5.317 6.650 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.777 8.589 6.082 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.614 7.077 5.184 1.00 0.00 H new ATOM 62 N ALA A 6 -8.164 3.640 8.185 1.00 0.00 N ATOM 63 CA ALA A 6 -6.922 2.995 7.799 1.00 0.00 C ATOM 64 C ALA A 6 -7.202 1.665 7.114 1.00 0.00 C ATOM 65 O ALA A 6 -8.117 0.932 7.497 1.00 0.00 O ATOM 66 CB ALA A 6 -6.058 2.769 9.038 1.00 0.00 C ATOM 0 H ALA A 6 -8.335 3.674 9.190 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.392 3.640 7.098 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.126 2.285 8.748 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.838 3.728 9.508 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.593 2.133 9.744 1.00 0.00 H new ATOM 72 N VAL A 7 -6.399 1.326 6.108 1.00 0.00 N ATOM 73 CA VAL A 7 -6.223 -0.061 5.742 1.00 0.00 C ATOM 74 C VAL A 7 -5.312 -0.688 6.787 1.00 0.00 C ATOM 75 O VAL A 7 -4.125 -0.365 6.876 1.00 0.00 O ATOM 76 CB VAL A 7 -5.670 -0.220 4.329 1.00 0.00 C ATOM 77 CG1 VAL A 7 -5.565 -1.707 3.979 1.00 0.00 C ATOM 78 CG2 VAL A 7 -6.609 0.447 3.323 1.00 0.00 C ATOM 0 H VAL A 7 -5.869 1.990 5.543 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.187 -0.570 5.726 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.686 0.247 4.286 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.170 -1.816 2.969 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.898 -2.201 4.685 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.553 -2.164 4.033 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.207 0.329 2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.592 -0.020 3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.698 1.508 3.556 1.00 0.00 H new ATOM 88 N ALA A 8 -5.913 -1.576 7.570 1.00 0.00 N ATOM 89 CA ALA A 8 -5.236 -2.405 8.538 1.00 0.00 C ATOM 90 C ALA A 8 -4.548 -3.547 7.799 1.00 0.00 C ATOM 91 O ALA A 8 -5.061 -4.012 6.781 1.00 0.00 O ATOM 92 CB ALA A 8 -6.266 -2.961 9.522 1.00 0.00 C ATOM 0 H ALA A 8 -6.920 -1.738 7.541 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.493 -1.827 9.088 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.764 -3.589 10.258 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.766 -2.136 10.030 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.003 -3.554 8.981 1.00 0.00 H new ATOM 98 N ALA A 9 -3.407 -4.014 8.306 1.00 0.00 N ATOM 99 CA ALA A 9 -2.744 -5.208 7.786 1.00 0.00 C ATOM 100 C ALA A 9 -3.742 -6.357 7.580 1.00 0.00 C ATOM 101 O ALA A 9 -3.698 -7.050 6.567 1.00 0.00 O ATOM 102 CB ALA A 9 -1.624 -5.625 8.742 1.00 0.00 C ATOM 0 H ALA A 9 -2.918 -3.576 9.087 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.316 -4.974 6.811 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.128 -6.516 8.355 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.899 -4.815 8.829 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.045 -5.841 9.724 1.00 0.00 H new ATOM 108 N ASP A 10 -4.648 -6.537 8.542 1.00 0.00 N ATOM 109 CA ASP A 10 -5.662 -7.578 8.589 1.00 0.00 C ATOM 110 C ASP A 10 -7.018 -7.117 8.032 1.00 0.00 C ATOM 111 O ASP A 10 -8.018 -7.802 8.250 1.00 0.00 O ATOM 112 CB ASP A 10 -5.796 -8.041 10.049 1.00 0.00 C ATOM 113 CG ASP A 10 -6.214 -6.905 10.976 1.00 0.00 C ATOM 114 OD1 ASP A 10 -5.505 -5.872 10.939 1.00 0.00 O ATOM 115 OD2 ASP A 10 -7.212 -7.084 11.705 1.00 0.00 O ATOM 0 H ASP A 10 -4.692 -5.921 9.354 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.348 -8.403 7.949 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.530 -8.845 10.108 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.845 -8.452 10.387 1.00 0.00 H new ATOM 120 N ASP A 11 -7.088 -6.006 7.279 1.00 0.00 N ATOM 121 CA ASP A 11 -8.310 -5.683 6.541 1.00 0.00 C ATOM 122 C ASP A 11 -8.612 -6.849 5.585 1.00 0.00 C ATOM 123 O ASP A 11 -7.703 -7.528 5.105 1.00 0.00 O ATOM 124 CB ASP A 11 -8.185 -4.319 5.829 1.00 0.00 C ATOM 125 CG ASP A 11 -9.462 -3.808 5.158 1.00 0.00 C ATOM 126 OD1 ASP A 11 -10.120 -4.600 4.444 1.00 0.00 O ATOM 127 OD2 ASP A 11 -9.740 -2.598 5.325 1.00 0.00 O ATOM 0 H ASP A 11 -6.329 -5.333 7.169 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.155 -5.571 7.221 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.856 -3.577 6.557 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -7.403 -4.393 5.074 1.00 0.00 H new ATOM 132 N ALA A 12 -9.882 -7.089 5.283 1.00 0.00 N ATOM 133 CA ALA A 12 -10.265 -8.182 4.396 1.00 0.00 C ATOM 134 C ALA A 12 -9.733 -7.872 2.999 1.00 0.00 C ATOM 135 O ALA A 12 -9.177 -8.718 2.295 1.00 0.00 O ATOM 136 CB ALA A 12 -11.788 -8.332 4.395 1.00 0.00 C ATOM 0 H ALA A 12 -10.665 -6.541 5.639 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.840 -9.126 4.736 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.073 -9.149 3.732 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.133 -8.548 5.406 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.245 -7.406 4.046 1.00 0.00 H new ATOM 142 N THR A 13 -9.870 -6.602 2.633 1.00 0.00 N ATOM 143 CA THR A 13 -9.347 -6.031 1.419 1.00 0.00 C ATOM 144 C THR A 13 -7.822 -6.170 1.419 1.00 0.00 C ATOM 145 O THR A 13 -7.225 -6.573 0.424 1.00 0.00 O ATOM 146 CB THR A 13 -9.782 -4.561 1.381 1.00 0.00 C ATOM 147 OG1 THR A 13 -11.052 -4.377 1.974 1.00 0.00 O ATOM 148 CG2 THR A 13 -9.810 -4.041 -0.059 1.00 0.00 C ATOM 0 H THR A 13 -10.371 -5.923 3.205 1.00 0.00 H new ATOM 0 HA THR A 13 -9.725 -6.541 0.533 1.00 0.00 H new ATOM 0 HB THR A 13 -9.049 -3.995 1.956 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.940 -4.120 2.913 1.00 0.00 H new ATOM 0 HG21 THR A 13 -10.121 -2.996 -0.063 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.815 -4.125 -0.495 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.514 -4.631 -0.645 1.00 0.00 H new ATOM 156 N ALA A 14 -7.180 -5.859 2.551 1.00 0.00 N ATOM 157 CA ALA A 14 -5.734 -5.980 2.658 1.00 0.00 C ATOM 158 C ALA A 14 -5.303 -7.412 2.392 1.00 0.00 C ATOM 159 O ALA A 14 -4.385 -7.642 1.614 1.00 0.00 O ATOM 160 CB ALA A 14 -5.226 -5.549 4.029 1.00 0.00 C ATOM 0 H ALA A 14 -7.641 -5.524 3.397 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.301 -5.317 1.910 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.142 -5.655 4.065 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.495 -4.507 4.206 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.678 -6.176 4.798 1.00 0.00 H new ATOM 166 N ILE A 15 -5.979 -8.371 3.021 1.00 0.00 N ATOM 167 CA ILE A 15 -5.721 -9.785 2.840 1.00 0.00 C ATOM 168 C ILE A 15 -5.828 -10.114 1.351 1.00 0.00 C ATOM 169 O ILE A 15 -4.888 -10.656 0.776 1.00 0.00 O ATOM 170 CB ILE A 15 -6.654 -10.589 3.758 1.00 0.00 C ATOM 171 CG1 ILE A 15 -6.104 -10.456 5.188 1.00 0.00 C ATOM 172 CG2 ILE A 15 -6.743 -12.060 3.335 1.00 0.00 C ATOM 173 CD1 ILE A 15 -7.080 -10.958 6.245 1.00 0.00 C ATOM 0 H ILE A 15 -6.733 -8.177 3.680 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.710 -10.065 3.137 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.669 -10.198 3.695 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.171 -11.014 5.267 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.867 -9.410 5.386 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.413 -12.593 4.010 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.128 -12.123 2.317 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.752 -12.511 3.377 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.638 -10.839 7.234 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.004 -10.383 6.189 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.297 -12.012 6.069 1.00 0.00 H new ATOM 185 N ALA A 16 -6.936 -9.732 0.707 1.00 0.00 N ATOM 186 CA ALA A 16 -7.112 -9.940 -0.728 1.00 0.00 C ATOM 187 C ALA A 16 -5.951 -9.361 -1.553 1.00 0.00 C ATOM 188 O ALA A 16 -5.523 -9.970 -2.531 1.00 0.00 O ATOM 189 CB ALA A 16 -8.454 -9.354 -1.175 1.00 0.00 C ATOM 0 H ALA A 16 -7.726 -9.275 1.163 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.111 -11.014 -0.911 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.581 -9.511 -2.246 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.264 -9.847 -0.637 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.474 -8.286 -0.960 1.00 0.00 H new ATOM 195 N LEU A 17 -5.444 -8.189 -1.165 1.00 0.00 N ATOM 196 CA LEU A 17 -4.377 -7.480 -1.874 1.00 0.00 C ATOM 197 C LEU A 17 -2.983 -7.888 -1.388 1.00 0.00 C ATOM 198 O LEU A 17 -1.989 -7.507 -2.001 1.00 0.00 O ATOM 199 CB LEU A 17 -4.646 -5.971 -1.818 1.00 0.00 C ATOM 200 CG LEU A 17 -5.977 -5.570 -2.483 1.00 0.00 C ATOM 201 CD1 LEU A 17 -6.152 -4.055 -2.360 1.00 0.00 C ATOM 202 CD2 LEU A 17 -6.045 -5.961 -3.964 1.00 0.00 C ATOM 0 H LEU A 17 -5.770 -7.697 -0.333 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.385 -7.772 -2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.655 -5.648 -0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.828 -5.444 -2.309 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.774 -6.107 -1.970 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.091 -3.758 -2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.166 -3.775 -1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.324 -3.551 -2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.005 -5.653 -4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.240 -5.467 -4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.938 -7.041 -4.060 1.00 0.00 H new ATOM 214 N LYS A 18 -2.890 -8.694 -0.325 1.00 0.00 N ATOM 215 CA LYS A 18 -1.653 -9.002 0.365 1.00 0.00 C ATOM 216 C LYS A 18 -0.943 -7.714 0.784 1.00 0.00 C ATOM 217 O LYS A 18 0.279 -7.604 0.686 1.00 0.00 O ATOM 218 CB LYS A 18 -0.771 -9.901 -0.500 1.00 0.00 C ATOM 219 CG LYS A 18 -1.491 -11.153 -1.010 1.00 0.00 C ATOM 220 CD LYS A 18 -1.823 -12.120 0.139 1.00 0.00 C ATOM 221 CE LYS A 18 -1.694 -13.581 -0.309 1.00 0.00 C ATOM 222 NZ LYS A 18 -0.278 -13.992 -0.374 1.00 0.00 N ATOM 0 H LYS A 18 -3.701 -9.158 0.083 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.876 -9.556 1.277 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.407 -9.328 -1.353 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.103 -10.203 0.077 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.410 -10.863 -1.520 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.865 -11.660 -1.744 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.153 -11.934 0.979 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.837 -11.934 0.493 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.232 -14.227 0.385 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.158 -13.707 -1.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.208 -14.928 -0.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.259 -13.299 -0.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.114 -14.039 0.588 1.00 0.00 H new ATOM 236 N TYR A 19 -1.719 -6.737 1.256 1.00 0.00 N ATOM 237 CA TYR A 19 -1.162 -5.505 1.779 1.00 0.00 C ATOM 238 C TYR A 19 -0.557 -5.772 3.155 1.00 0.00 C ATOM 239 O TYR A 19 -1.081 -6.587 3.912 1.00 0.00 O ATOM 240 CB TYR A 19 -2.216 -4.390 1.820 1.00 0.00 C ATOM 241 CG TYR A 19 -1.930 -3.245 2.782 1.00 0.00 C ATOM 242 CD1 TYR A 19 -2.390 -3.331 4.107 1.00 0.00 C ATOM 243 CD2 TYR A 19 -1.230 -2.093 2.371 1.00 0.00 C ATOM 244 CE1 TYR A 19 -2.355 -2.208 4.942 1.00 0.00 C ATOM 245 CE2 TYR A 19 -1.123 -0.994 3.249 1.00 0.00 C ATOM 246 CZ TYR A 19 -1.802 -1.008 4.476 1.00 0.00 C ATOM 247 OH TYR A 19 -1.952 0.144 5.191 1.00 0.00 O ATOM 0 H TYR A 19 -2.738 -6.783 1.283 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.372 -5.156 1.115 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.322 -3.979 0.816 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.176 -4.832 2.086 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.773 -4.268 4.483 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.779 -2.052 1.391 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.754 -2.267 5.944 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.518 -0.142 2.976 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.693 0.042 5.824 1.00 0.00 H new ATOM 257 N ASN A 20 0.502 -5.044 3.512 1.00 0.00 N ATOM 258 CA ASN A 20 0.956 -4.996 4.897 1.00 0.00 C ATOM 259 C ASN A 20 1.607 -3.646 5.154 1.00 0.00 C ATOM 260 O ASN A 20 2.667 -3.380 4.598 1.00 0.00 O ATOM 261 CB ASN A 20 1.932 -6.128 5.212 1.00 0.00 C ATOM 262 CG ASN A 20 2.296 -6.165 6.688 1.00 0.00 C ATOM 263 OD1 ASN A 20 1.717 -6.883 7.500 1.00 0.00 O ATOM 264 ND2 ASN A 20 3.328 -5.424 7.055 1.00 0.00 N ATOM 0 H ASN A 20 1.056 -4.484 2.864 1.00 0.00 H new ATOM 0 HA ASN A 20 0.094 -5.126 5.552 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.489 -7.081 4.923 1.00 0.00 H new ATOM 0 HB3 ASN A 20 2.837 -6.004 4.617 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.652 -5.444 8.022 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.800 -4.832 6.371 1.00 0.00 H new ATOM 271 N GLN A 21 0.980 -2.823 6.003 1.00 0.00 N ATOM 272 CA GLN A 21 1.457 -1.528 6.481 1.00 0.00 C ATOM 273 C GLN A 21 2.984 -1.450 6.565 1.00 0.00 C ATOM 274 O GLN A 21 3.594 -0.504 6.060 1.00 0.00 O ATOM 275 CB GLN A 21 0.882 -1.310 7.883 1.00 0.00 C ATOM 276 CG GLN A 21 -0.607 -0.954 7.895 1.00 0.00 C ATOM 277 CD GLN A 21 -1.183 -1.044 9.302 1.00 0.00 C ATOM 278 OE1 GLN A 21 -1.970 -1.939 9.600 1.00 0.00 O ATOM 279 NE2 GLN A 21 -0.785 -0.132 10.184 1.00 0.00 N ATOM 0 H GLN A 21 0.070 -3.062 6.397 1.00 0.00 H new ATOM 0 HA GLN A 21 1.132 -0.765 5.773 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.034 -2.215 8.472 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.440 -0.513 8.374 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.746 0.055 7.506 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.150 -1.628 7.233 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.130 0.598 9.903 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.134 -0.162 11.142 1.00 0.00 H new ATOM 288 N ASP A 22 3.587 -2.439 7.229 1.00 0.00 N ATOM 289 CA ASP A 22 5.027 -2.511 7.392 1.00 0.00 C ATOM 290 C ASP A 22 5.588 -3.197 6.144 1.00 0.00 C ATOM 291 O ASP A 22 5.617 -4.420 6.025 1.00 0.00 O ATOM 292 CB ASP A 22 5.419 -3.103 8.765 1.00 0.00 C ATOM 293 CG ASP A 22 5.809 -4.574 8.777 1.00 0.00 C ATOM 294 OD1 ASP A 22 6.974 -4.847 8.410 1.00 0.00 O ATOM 295 OD2 ASP A 22 4.934 -5.403 9.136 1.00 0.00 O ATOM 0 H ASP A 22 3.083 -3.210 7.667 1.00 0.00 H new ATOM 0 HA ASP A 22 5.495 -1.528 7.442 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.253 -2.524 9.162 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.582 -2.965 9.449 1.00 0.00 H new ATOM 300 N ALA A 23 5.942 -2.391 5.146 1.00 0.00 N ATOM 301 CA ALA A 23 6.517 -2.880 3.901 1.00 0.00 C ATOM 302 C ALA A 23 7.576 -3.964 4.129 1.00 0.00 C ATOM 303 O ALA A 23 7.582 -4.984 3.437 1.00 0.00 O ATOM 304 CB ALA A 23 7.064 -1.696 3.099 1.00 0.00 C ATOM 0 H ALA A 23 5.837 -1.377 5.181 1.00 0.00 H new ATOM 0 HA ALA A 23 5.730 -3.364 3.323 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.496 -2.057 2.166 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.254 -1.000 2.879 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.832 -1.186 3.681 1.00 0.00 H new ATOM 310 N THR A 24 8.461 -3.756 5.103 1.00 0.00 N ATOM 311 CA THR A 24 9.473 -4.707 5.531 1.00 0.00 C ATOM 312 C THR A 24 8.936 -6.143 5.599 1.00 0.00 C ATOM 313 O THR A 24 9.501 -7.034 4.970 1.00 0.00 O ATOM 314 CB THR A 24 10.028 -4.215 6.876 1.00 0.00 C ATOM 315 OG1 THR A 24 9.050 -3.446 7.559 1.00 0.00 O ATOM 316 CG2 THR A 24 11.226 -3.295 6.625 1.00 0.00 C ATOM 0 H THR A 24 8.490 -2.885 5.633 1.00 0.00 H new ATOM 0 HA THR A 24 10.277 -4.753 4.797 1.00 0.00 H new ATOM 0 HB THR A 24 10.312 -5.086 7.467 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.493 -4.037 8.108 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.622 -2.945 7.578 1.00 0.00 H new ATOM 0 HG22 THR A 24 12.001 -3.844 6.090 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.909 -2.440 6.027 1.00 0.00 H new ATOM 324 N LYS A 25 7.843 -6.369 6.329 1.00 0.00 N ATOM 325 CA LYS A 25 7.206 -7.672 6.456 1.00 0.00 C ATOM 326 C LYS A 25 5.877 -7.677 5.692 1.00 0.00 C ATOM 327 O LYS A 25 4.883 -8.244 6.156 1.00 0.00 O ATOM 328 CB LYS A 25 7.012 -7.922 7.944 1.00 0.00 C ATOM 329 CG LYS A 25 6.586 -9.340 8.357 1.00 0.00 C ATOM 330 CD LYS A 25 5.790 -9.293 9.673 1.00 0.00 C ATOM 331 CE LYS A 25 4.279 -9.040 9.491 1.00 0.00 C ATOM 332 NZ LYS A 25 3.979 -7.833 8.696 1.00 0.00 N ATOM 0 H LYS A 25 7.370 -5.635 6.857 1.00 0.00 H new ATOM 0 HA LYS A 25 7.815 -8.467 6.027 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.946 -7.686 8.453 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.263 -7.221 8.312 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.978 -9.788 7.571 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.466 -9.971 8.478 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.928 -10.236 10.201 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.204 -8.509 10.307 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.829 -9.906 9.007 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.813 -8.945 10.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.949 -7.711 8.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.395 -7.000 9.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.381 -7.936 7.743 1.00 0.00 H new ATOM 346 N SER A 26 5.858 -7.042 4.525 1.00 0.00 N ATOM 347 CA SER A 26 4.923 -7.351 3.456 1.00 0.00 C ATOM 348 C SER A 26 5.472 -8.511 2.625 1.00 0.00 C ATOM 349 O SER A 26 6.607 -8.947 2.814 1.00 0.00 O ATOM 350 CB SER A 26 4.691 -6.108 2.590 1.00 0.00 C ATOM 351 OG SER A 26 3.618 -6.357 1.707 1.00 0.00 O ATOM 0 H SER A 26 6.503 -6.286 4.294 1.00 0.00 H new ATOM 0 HA SER A 26 3.963 -7.650 3.877 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.468 -5.247 3.220 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.593 -5.867 2.028 1.00 0.00 H new ATOM 0 HG SER A 26 3.904 -6.180 0.786 1.00 0.00 H new ATOM 357 N GLU A 27 4.677 -8.986 1.665 1.00 0.00 N ATOM 358 CA GLU A 27 5.082 -10.074 0.782 1.00 0.00 C ATOM 359 C GLU A 27 6.066 -9.604 -0.289 1.00 0.00 C ATOM 360 O GLU A 27 6.596 -10.436 -1.019 1.00 0.00 O ATOM 361 CB GLU A 27 3.859 -10.748 0.141 1.00 0.00 C ATOM 362 CG GLU A 27 2.984 -11.407 1.210 1.00 0.00 C ATOM 363 CD GLU A 27 1.914 -12.324 0.636 1.00 0.00 C ATOM 364 OE1 GLU A 27 1.667 -12.305 -0.593 1.00 0.00 O ATOM 365 OE2 GLU A 27 1.300 -13.074 1.425 1.00 0.00 O ATOM 0 H GLU A 27 3.740 -8.628 1.480 1.00 0.00 H new ATOM 0 HA GLU A 27 5.598 -10.812 1.397 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.276 -10.009 -0.408 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.186 -11.496 -0.581 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.619 -11.980 1.885 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.505 -10.630 1.806 1.00 0.00 H new ATOM 372 N ARG A 28 6.321 -8.298 -0.406 1.00 0.00 N ATOM 373 CA ARG A 28 7.102 -7.721 -1.489 1.00 0.00 C ATOM 374 C ARG A 28 8.414 -8.454 -1.761 1.00 0.00 C ATOM 375 O ARG A 28 8.720 -8.747 -2.910 1.00 0.00 O ATOM 376 CB ARG A 28 7.294 -6.223 -1.246 1.00 0.00 C ATOM 377 CG ARG A 28 7.973 -5.884 0.072 1.00 0.00 C ATOM 378 CD ARG A 28 8.140 -4.373 0.212 1.00 0.00 C ATOM 379 NE ARG A 28 9.002 -4.096 1.360 1.00 0.00 N ATOM 380 CZ ARG A 28 9.795 -3.033 1.527 1.00 0.00 C ATOM 381 NH1 ARG A 28 9.692 -1.970 0.730 1.00 0.00 N ATOM 382 NH2 ARG A 28 10.701 -3.057 2.495 1.00 0.00 N ATOM 0 H ARG A 28 5.983 -7.606 0.263 1.00 0.00 H new ATOM 0 HA ARG A 28 6.534 -7.851 -2.410 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.884 -5.807 -2.063 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.320 -5.734 -1.276 1.00 0.00 H new ATOM 0 HG2 ARG A 28 7.382 -6.269 0.903 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.947 -6.370 0.122 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.576 -3.956 -0.696 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.169 -3.897 0.347 1.00 0.00 H new ATOM 0 HE ARG A 28 8.998 -4.786 2.112 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.001 -1.960 -0.020 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.304 -1.166 0.870 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.783 -3.877 3.096 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.315 -2.256 2.638 1.00 0.00 H new ATOM 396 N VAL A 29 9.178 -8.774 -0.717 1.00 0.00 N ATOM 397 CA VAL A 29 10.426 -9.521 -0.815 1.00 0.00 C ATOM 398 C VAL A 29 10.195 -10.898 -1.447 1.00 0.00 C ATOM 399 O VAL A 29 10.968 -11.324 -2.300 1.00 0.00 O ATOM 400 CB VAL A 29 11.068 -9.560 0.584 1.00 0.00 C ATOM 401 CG1 VAL A 29 11.708 -10.902 0.945 1.00 0.00 C ATOM 402 CG2 VAL A 29 12.102 -8.439 0.747 1.00 0.00 C ATOM 0 H VAL A 29 8.939 -8.514 0.240 1.00 0.00 H new ATOM 0 HA VAL A 29 11.130 -9.030 -1.487 1.00 0.00 H new ATOM 0 HB VAL A 29 10.240 -9.412 1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 29 12.136 -10.843 1.946 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.950 -11.685 0.920 1.00 0.00 H new ATOM 0 HG13 VAL A 29 12.494 -11.135 0.227 1.00 0.00 H new ATOM 0 HG21 VAL A 29 12.540 -8.490 1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 29 12.887 -8.556 -0.000 1.00 0.00 H new ATOM 0 HG23 VAL A 29 11.615 -7.473 0.613 1.00 0.00 H new ATOM 412 N ALA A 30 9.135 -11.592 -1.031 1.00 0.00 N ATOM 413 CA ALA A 30 8.810 -12.918 -1.543 1.00 0.00 C ATOM 414 C ALA A 30 8.333 -12.829 -2.994 1.00 0.00 C ATOM 415 O ALA A 30 8.772 -13.589 -3.853 1.00 0.00 O ATOM 416 CB ALA A 30 7.749 -13.568 -0.648 1.00 0.00 C ATOM 0 H ALA A 30 8.479 -11.248 -0.329 1.00 0.00 H new ATOM 0 HA ALA A 30 9.705 -13.540 -1.528 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.507 -14.559 -1.032 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.134 -13.656 0.368 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.850 -12.951 -0.643 1.00 0.00 H new ATOM 422 N ALA A 31 7.413 -11.900 -3.255 1.00 0.00 N ATOM 423 CA ALA A 31 6.808 -11.680 -4.558 1.00 0.00 C ATOM 424 C ALA A 31 7.839 -11.185 -5.575 1.00 0.00 C ATOM 425 O ALA A 31 7.779 -11.560 -6.744 1.00 0.00 O ATOM 426 CB ALA A 31 5.665 -10.672 -4.399 1.00 0.00 C ATOM 0 H ALA A 31 7.061 -11.263 -2.540 1.00 0.00 H new ATOM 0 HA ALA A 31 6.417 -12.623 -4.940 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.199 -10.495 -5.368 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.923 -11.070 -3.707 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.059 -9.734 -4.009 1.00 0.00 H new ATOM 432 N ALA A 32 8.747 -10.310 -5.131 1.00 0.00 N ATOM 433 CA ALA A 32 9.773 -9.642 -5.922 1.00 0.00 C ATOM 434 C ALA A 32 9.218 -9.162 -7.264 1.00 0.00 C ATOM 435 O ALA A 32 9.742 -9.496 -8.326 1.00 0.00 O ATOM 436 CB ALA A 32 10.999 -10.549 -6.070 1.00 0.00 C ATOM 0 H ALA A 32 8.783 -10.036 -4.149 1.00 0.00 H new ATOM 0 HA ALA A 32 10.098 -8.744 -5.396 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.759 -10.040 -6.663 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.402 -10.780 -5.084 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.709 -11.474 -6.569 1.00 0.00 H new ATOM 442 N ARG A 33 8.138 -8.373 -7.214 1.00 0.00 N ATOM 443 CA ARG A 33 7.489 -7.897 -8.427 1.00 0.00 C ATOM 444 C ARG A 33 8.472 -7.073 -9.263 1.00 0.00 C ATOM 445 O ARG A 33 9.346 -6.410 -8.709 1.00 0.00 O ATOM 446 CB ARG A 33 6.235 -7.078 -8.093 1.00 0.00 C ATOM 447 CG ARG A 33 5.086 -7.974 -7.642 1.00 0.00 C ATOM 448 CD ARG A 33 4.043 -8.207 -8.727 1.00 0.00 C ATOM 449 NE ARG A 33 3.215 -7.005 -8.962 1.00 0.00 N ATOM 450 CZ ARG A 33 3.207 -6.223 -10.059 1.00 0.00 C ATOM 451 NH1 ARG A 33 3.869 -6.571 -11.166 1.00 0.00 N ATOM 452 NH2 ARG A 33 2.524 -5.079 -10.053 1.00 0.00 N ATOM 0 H ARG A 33 7.702 -8.056 -6.348 1.00 0.00 H new ATOM 0 HA ARG A 33 7.175 -8.761 -9.013 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.467 -6.359 -7.307 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.929 -6.505 -8.969 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.488 -8.935 -7.322 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.603 -7.525 -6.774 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.541 -8.492 -9.654 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.401 -9.040 -8.441 1.00 0.00 H new ATOM 0 HE ARG A 33 2.579 -6.738 -8.210 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.395 -7.445 -11.192 1.00 0.00 H new ATOM 0 HH12 ARG A 33 3.849 -5.963 -11.985 1.00 0.00 H new ATOM 0 HH21 ARG A 33 2.009 -4.797 -9.219 1.00 0.00 H new ATOM 0 HH22 ARG A 33 2.516 -4.485 -10.882 1.00 0.00 H new ATOM 466 N PRO A 34 8.330 -7.102 -10.593 1.00 0.00 N ATOM 467 CA PRO A 34 9.193 -6.375 -11.502 1.00 0.00 C ATOM 468 C PRO A 34 9.040 -4.866 -11.301 1.00 0.00 C ATOM 469 O PRO A 34 7.946 -4.383 -11.011 1.00 0.00 O ATOM 470 CB PRO A 34 8.754 -6.812 -12.903 1.00 0.00 C ATOM 471 CG PRO A 34 7.285 -7.205 -12.712 1.00 0.00 C ATOM 472 CD PRO A 34 7.275 -7.797 -11.303 1.00 0.00 C ATOM 0 HA PRO A 34 10.249 -6.589 -11.334 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.862 -6.005 -13.627 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.349 -7.649 -13.267 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.622 -6.344 -12.794 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.960 -7.930 -13.458 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.310 -7.647 -10.819 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.457 -8.871 -11.326 1.00 0.00 H new ATOM 480 N GLY A 35 10.142 -4.131 -11.476 1.00 0.00 N ATOM 481 CA GLY A 35 10.180 -2.679 -11.381 1.00 0.00 C ATOM 482 C GLY A 35 11.489 -2.223 -10.743 1.00 0.00 C ATOM 483 O GLY A 35 12.302 -1.574 -11.392 1.00 0.00 O ATOM 0 H GLY A 35 11.050 -4.543 -11.692 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.079 -2.240 -12.374 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.336 -2.324 -10.789 1.00 0.00 H new ATOM 487 N LEU A 36 11.677 -2.567 -9.468 1.00 0.00 N ATOM 488 CA LEU A 36 12.789 -2.155 -8.614 1.00 0.00 C ATOM 489 C LEU A 36 12.910 -3.251 -7.544 1.00 0.00 C ATOM 490 O LEU A 36 12.023 -4.101 -7.470 1.00 0.00 O ATOM 491 CB LEU A 36 12.476 -0.765 -8.021 1.00 0.00 C ATOM 492 CG LEU A 36 13.517 0.342 -8.263 1.00 0.00 C ATOM 493 CD1 LEU A 36 13.784 0.614 -9.747 1.00 0.00 C ATOM 494 CD2 LEU A 36 13.018 1.633 -7.602 1.00 0.00 C ATOM 0 H LEU A 36 11.020 -3.174 -8.978 1.00 0.00 H new ATOM 0 HA LEU A 36 13.736 -2.054 -9.145 1.00 0.00 H new ATOM 0 HB2 LEU A 36 11.522 -0.429 -8.427 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.343 -0.877 -6.945 1.00 0.00 H new ATOM 0 HG LEU A 36 14.458 0.001 -7.831 1.00 0.00 H new ATOM 0 HD11 LEU A 36 14.527 1.405 -9.844 1.00 0.00 H new ATOM 0 HD12 LEU A 36 14.156 -0.294 -10.222 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.859 0.924 -10.232 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.745 2.429 -7.764 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.062 1.920 -8.040 1.00 0.00 H new ATOM 0 HD23 LEU A 36 12.892 1.469 -6.532 1.00 0.00 H new ATOM 506 N PRO A 37 13.974 -3.290 -6.732 1.00 0.00 N ATOM 507 CA PRO A 37 14.182 -4.360 -5.772 1.00 0.00 C ATOM 508 C PRO A 37 13.165 -4.204 -4.636 1.00 0.00 C ATOM 509 O PRO A 37 12.723 -3.086 -4.361 1.00 0.00 O ATOM 510 CB PRO A 37 15.641 -4.225 -5.330 1.00 0.00 C ATOM 511 CG PRO A 37 15.952 -2.739 -5.517 1.00 0.00 C ATOM 512 CD PRO A 37 14.959 -2.243 -6.572 1.00 0.00 C ATOM 0 HA PRO A 37 14.024 -5.362 -6.171 1.00 0.00 H new ATOM 0 HB2 PRO A 37 15.773 -4.532 -4.293 1.00 0.00 H new ATOM 0 HB3 PRO A 37 16.300 -4.849 -5.934 1.00 0.00 H new ATOM 0 HG2 PRO A 37 15.836 -2.193 -4.581 1.00 0.00 H new ATOM 0 HG3 PRO A 37 16.981 -2.592 -5.846 1.00 0.00 H new ATOM 0 HD2 PRO A 37 14.488 -1.312 -6.255 1.00 0.00 H new ATOM 0 HD3 PRO A 37 15.465 -2.039 -7.516 1.00 0.00 H new ATOM 520 N PRO A 38 12.743 -5.309 -3.996 1.00 0.00 N ATOM 521 CA PRO A 38 11.538 -5.340 -3.181 1.00 0.00 C ATOM 522 C PRO A 38 11.578 -4.287 -2.082 1.00 0.00 C ATOM 523 O PRO A 38 10.586 -3.604 -1.844 1.00 0.00 O ATOM 524 CB PRO A 38 11.409 -6.765 -2.640 1.00 0.00 C ATOM 525 CG PRO A 38 12.799 -7.371 -2.817 1.00 0.00 C ATOM 526 CD PRO A 38 13.395 -6.606 -3.999 1.00 0.00 C ATOM 0 HA PRO A 38 10.656 -5.090 -3.771 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.107 -6.766 -1.593 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.657 -7.331 -3.189 1.00 0.00 H new ATOM 0 HG2 PRO A 38 13.404 -7.249 -1.918 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.744 -8.440 -3.022 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.475 -6.502 -3.893 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.216 -7.132 -4.937 1.00 0.00 H new ATOM 534 N GLU A 39 12.730 -4.107 -1.440 1.00 0.00 N ATOM 535 CA GLU A 39 12.855 -3.152 -0.359 1.00 0.00 C ATOM 536 C GLU A 39 12.540 -1.707 -0.766 1.00 0.00 C ATOM 537 O GLU A 39 12.049 -0.936 0.068 1.00 0.00 O ATOM 538 CB GLU A 39 14.186 -3.343 0.364 1.00 0.00 C ATOM 539 CG GLU A 39 14.181 -4.680 1.127 1.00 0.00 C ATOM 540 CD GLU A 39 13.175 -4.628 2.274 1.00 0.00 C ATOM 541 OE1 GLU A 39 13.382 -3.807 3.189 1.00 0.00 O ATOM 542 OE2 GLU A 39 12.096 -5.251 2.154 1.00 0.00 O ATOM 0 H GLU A 39 13.588 -4.615 -1.656 1.00 0.00 H new ATOM 0 HA GLU A 39 12.071 -3.364 0.368 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.006 -3.327 -0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.355 -2.519 1.058 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.927 -5.494 0.448 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.177 -4.889 1.517 1.00 0.00 H new ATOM 549 N GLU A 40 12.713 -1.349 -2.040 1.00 0.00 N ATOM 550 CA GLU A 40 12.326 -0.034 -2.532 1.00 0.00 C ATOM 551 C GLU A 40 10.843 0.038 -2.911 1.00 0.00 C ATOM 552 O GLU A 40 10.349 1.127 -3.192 1.00 0.00 O ATOM 553 CB GLU A 40 13.192 0.351 -3.730 1.00 0.00 C ATOM 554 CG GLU A 40 14.671 0.476 -3.357 1.00 0.00 C ATOM 555 CD GLU A 40 15.456 1.061 -4.523 1.00 0.00 C ATOM 556 OE1 GLU A 40 15.183 2.237 -4.843 1.00 0.00 O ATOM 557 OE2 GLU A 40 16.280 0.314 -5.090 1.00 0.00 O ATOM 0 H GLU A 40 13.121 -1.958 -2.749 1.00 0.00 H new ATOM 0 HA GLU A 40 12.484 0.674 -1.719 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.079 -0.398 -4.514 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.841 1.298 -4.141 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.780 1.113 -2.479 1.00 0.00 H new ATOM 0 HG3 GLU A 40 15.072 -0.503 -3.093 1.00 0.00 H new ATOM 564 N GLN A 41 10.115 -1.080 -2.944 1.00 0.00 N ATOM 565 CA GLN A 41 8.722 -1.088 -3.369 1.00 0.00 C ATOM 566 C GLN A 41 7.826 -0.723 -2.190 1.00 0.00 C ATOM 567 O GLN A 41 7.893 -1.372 -1.147 1.00 0.00 O ATOM 568 CB GLN A 41 8.326 -2.468 -3.905 1.00 0.00 C ATOM 569 CG GLN A 41 9.262 -2.982 -4.998 1.00 0.00 C ATOM 570 CD GLN A 41 8.750 -4.273 -5.630 1.00 0.00 C ATOM 571 OE1 GLN A 41 7.635 -4.720 -5.365 1.00 0.00 O ATOM 572 NE2 GLN A 41 9.566 -4.883 -6.475 1.00 0.00 N ATOM 0 H GLN A 41 10.475 -1.997 -2.678 1.00 0.00 H new ATOM 0 HA GLN A 41 8.599 -0.356 -4.167 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.315 -3.181 -3.081 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.311 -2.420 -4.299 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.371 -2.220 -5.769 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.252 -3.153 -4.576 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.484 -4.486 -6.673 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.276 -5.750 -6.928 1.00 0.00 H new ATOM 581 N HIS A 42 6.973 0.291 -2.337 1.00 0.00 N ATOM 582 CA HIS A 42 5.973 0.650 -1.340 1.00 0.00 C ATOM 583 C HIS A 42 4.929 1.551 -2.004 1.00 0.00 C ATOM 584 O HIS A 42 5.160 2.000 -3.130 1.00 0.00 O ATOM 585 CB HIS A 42 6.627 1.268 -0.085 1.00 0.00 C ATOM 586 CG HIS A 42 8.021 1.824 -0.233 1.00 0.00 C ATOM 587 ND1 HIS A 42 8.446 2.649 -1.249 1.00 0.00 N ATOM 588 CD2 HIS A 42 9.078 1.598 0.606 1.00 0.00 C ATOM 589 CE1 HIS A 42 9.747 2.921 -1.042 1.00 0.00 C ATOM 590 NE2 HIS A 42 10.154 2.287 0.076 1.00 0.00 N ATOM 0 H HIS A 42 6.960 0.891 -3.162 1.00 0.00 H new ATOM 0 HA HIS A 42 5.460 -0.240 -0.974 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.980 2.070 0.272 1.00 0.00 H new ATOM 0 HB3 HIS A 42 6.649 0.506 0.694 1.00 0.00 H new ATOM 0 HD1 HIS A 42 7.876 2.993 -2.022 1.00 0.00 H new ATOM 0 HD2 HIS A 42 9.073 1.000 1.505 1.00 0.00 H new ATOM 0 HE1 HIS A 42 10.365 3.546 -1.670 1.00 0.00 H new ATOM 599 N CYS A 43 3.797 1.808 -1.335 1.00 0.00 N ATOM 600 CA CYS A 43 2.704 2.608 -1.892 1.00 0.00 C ATOM 601 C CYS A 43 3.237 3.970 -2.381 1.00 0.00 C ATOM 602 O CYS A 43 2.869 4.458 -3.445 1.00 0.00 O ATOM 603 CB CYS A 43 1.566 2.743 -0.904 1.00 0.00 C ATOM 604 SG CYS A 43 0.719 1.162 -0.552 1.00 0.00 S ATOM 0 H CYS A 43 3.616 1.466 -0.391 1.00 0.00 H new ATOM 0 HA CYS A 43 2.292 2.092 -2.759 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.951 3.156 0.028 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.840 3.457 -1.293 1.00 0.00 H new ATOM 609 N ALA A 44 4.183 4.549 -1.634 1.00 0.00 N ATOM 610 CA ALA A 44 4.904 5.776 -1.957 1.00 0.00 C ATOM 611 C ALA A 44 5.319 5.863 -3.429 1.00 0.00 C ATOM 612 O ALA A 44 5.247 6.937 -4.026 1.00 0.00 O ATOM 613 CB ALA A 44 6.151 5.879 -1.074 1.00 0.00 C ATOM 0 H ALA A 44 4.479 4.151 -0.743 1.00 0.00 H new ATOM 0 HA ALA A 44 4.221 6.604 -1.769 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.692 6.795 -1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.854 5.896 -0.025 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.796 5.019 -1.254 1.00 0.00 H new ATOM 619 N ASN A 45 5.800 4.752 -3.999 1.00 0.00 N ATOM 620 CA ASN A 45 6.229 4.670 -5.391 1.00 0.00 C ATOM 621 C ASN A 45 5.427 3.606 -6.134 1.00 0.00 C ATOM 622 O ASN A 45 5.950 2.956 -7.038 1.00 0.00 O ATOM 623 CB ASN A 45 7.748 4.460 -5.499 1.00 0.00 C ATOM 624 CG ASN A 45 8.267 3.186 -4.832 1.00 0.00 C ATOM 625 OD1 ASN A 45 7.690 2.678 -3.871 1.00 0.00 O ATOM 626 ND2 ASN A 45 9.415 2.690 -5.275 1.00 0.00 N ATOM 0 H ASN A 45 5.902 3.872 -3.493 1.00 0.00 H new ATOM 0 HA ASN A 45 6.023 5.623 -5.877 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.024 4.440 -6.553 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.252 5.318 -5.054 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.830 1.878 -4.818 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.883 3.121 -6.073 1.00 0.00 H new ATOM 633 N CYS A 46 4.145 3.480 -5.781 1.00 0.00 N ATOM 634 CA CYS A 46 3.169 2.664 -6.477 1.00 0.00 C ATOM 635 C CYS A 46 2.462 3.512 -7.535 1.00 0.00 C ATOM 636 O CYS A 46 2.178 4.692 -7.325 1.00 0.00 O ATOM 637 CB CYS A 46 2.192 2.132 -5.471 1.00 0.00 C ATOM 638 SG CYS A 46 0.975 1.061 -6.235 1.00 0.00 S ATOM 0 H CYS A 46 3.753 3.964 -4.973 1.00 0.00 H new ATOM 0 HA CYS A 46 3.653 1.827 -6.981 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.728 1.581 -4.698 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.688 2.963 -4.978 1.00 0.00 H new ATOM 643 N GLN A 47 2.186 2.909 -8.689 1.00 0.00 N ATOM 644 CA GLN A 47 1.519 3.552 -9.808 1.00 0.00 C ATOM 645 C GLN A 47 0.092 3.965 -9.457 1.00 0.00 C ATOM 646 O GLN A 47 -0.441 4.901 -10.051 1.00 0.00 O ATOM 647 CB GLN A 47 1.585 2.607 -11.018 1.00 0.00 C ATOM 648 CG GLN A 47 1.395 3.360 -12.335 1.00 0.00 C ATOM 649 CD GLN A 47 1.735 2.493 -13.540 1.00 0.00 C ATOM 650 OE1 GLN A 47 0.859 2.121 -14.314 1.00 0.00 O ATOM 651 NE2 GLN A 47 3.014 2.171 -13.724 1.00 0.00 N ATOM 0 H GLN A 47 2.428 1.935 -8.872 1.00 0.00 H new ATOM 0 HA GLN A 47 2.030 4.481 -10.059 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.547 2.095 -11.027 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.816 1.840 -10.923 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.362 3.700 -12.413 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.025 4.249 -12.339 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.721 2.494 -13.064 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.286 1.601 -14.525 1.00 0.00 H new ATOM 660 N PHE A 48 -0.524 3.269 -8.503 1.00 0.00 N ATOM 661 CA PHE A 48 -1.939 3.393 -8.219 1.00 0.00 C ATOM 662 C PHE A 48 -2.214 4.142 -6.912 1.00 0.00 C ATOM 663 O PHE A 48 -3.271 3.938 -6.324 1.00 0.00 O ATOM 664 CB PHE A 48 -2.568 1.994 -8.226 1.00 0.00 C ATOM 665 CG PHE A 48 -2.173 1.122 -9.409 1.00 0.00 C ATOM 666 CD1 PHE A 48 -2.262 1.622 -10.724 1.00 0.00 C ATOM 667 CD2 PHE A 48 -1.651 -0.166 -9.190 1.00 0.00 C ATOM 668 CE1 PHE A 48 -1.778 0.859 -11.803 1.00 0.00 C ATOM 669 CE2 PHE A 48 -1.228 -0.951 -10.276 1.00 0.00 C ATOM 670 CZ PHE A 48 -1.272 -0.432 -11.580 1.00 0.00 C ATOM 0 H PHE A 48 -0.043 2.598 -7.903 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.401 4.000 -8.998 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.289 1.481 -7.306 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.653 2.099 -8.216 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.702 2.592 -10.904 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.575 -0.552 -8.184 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.796 1.266 -12.803 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.868 -1.955 -10.107 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.917 -1.025 -12.410 1.00 0.00 H new ATOM 680 N MET A 49 -1.309 5.010 -6.447 1.00 0.00 N ATOM 681 CA MET A 49 -1.538 5.805 -5.239 1.00 0.00 C ATOM 682 C MET A 49 -2.440 7.015 -5.551 1.00 0.00 C ATOM 683 O MET A 49 -2.608 7.385 -6.714 1.00 0.00 O ATOM 684 CB MET A 49 -0.184 6.222 -4.638 1.00 0.00 C ATOM 685 CG MET A 49 -0.321 6.808 -3.221 1.00 0.00 C ATOM 686 SD MET A 49 1.205 7.080 -2.283 1.00 0.00 S ATOM 687 CE MET A 49 2.099 8.159 -3.421 1.00 0.00 C ATOM 0 H MET A 49 -0.407 5.179 -6.893 1.00 0.00 H new ATOM 0 HA MET A 49 -2.064 5.206 -4.496 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.478 5.356 -4.607 1.00 0.00 H new ATOM 0 HB3 MET A 49 0.286 6.959 -5.288 1.00 0.00 H new ATOM 0 HG2 MET A 49 -0.843 7.762 -3.299 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.959 6.142 -2.641 1.00 0.00 H new ATOM 0 HE1 MET A 49 3.034 8.478 -2.961 1.00 0.00 H new ATOM 0 HE2 MET A 49 2.314 7.618 -4.342 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.489 9.034 -3.648 1.00 0.00 H new ATOM 697 N GLN A 50 -3.012 7.634 -4.511 1.00 0.00 N ATOM 698 CA GLN A 50 -3.681 8.933 -4.545 1.00 0.00 C ATOM 699 C GLN A 50 -3.215 9.748 -3.331 1.00 0.00 C ATOM 700 O GLN A 50 -3.636 9.504 -2.199 1.00 0.00 O ATOM 701 CB GLN A 50 -5.201 8.768 -4.491 1.00 0.00 C ATOM 702 CG GLN A 50 -5.740 7.817 -5.559 1.00 0.00 C ATOM 703 CD GLN A 50 -7.259 7.711 -5.515 1.00 0.00 C ATOM 704 OE1 GLN A 50 -7.954 8.242 -6.374 1.00 0.00 O ATOM 705 NE2 GLN A 50 -7.797 6.994 -4.532 1.00 0.00 N ATOM 0 H GLN A 50 -3.019 7.219 -3.579 1.00 0.00 H new ATOM 0 HA GLN A 50 -3.427 9.442 -5.475 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.485 8.397 -3.506 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.671 9.744 -4.612 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.429 8.165 -6.544 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.303 6.828 -5.418 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.198 6.562 -3.829 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.809 6.876 -4.481 1.00 0.00 H new ATOM 714 N ALA A 51 -2.323 10.709 -3.554 1.00 0.00 N ATOM 715 CA ALA A 51 -1.825 11.593 -2.504 1.00 0.00 C ATOM 716 C ALA A 51 -2.829 12.690 -2.157 1.00 0.00 C ATOM 717 O ALA A 51 -2.917 13.128 -1.013 1.00 0.00 O ATOM 718 CB ALA A 51 -0.460 12.163 -2.866 1.00 0.00 C ATOM 0 H ALA A 51 -1.923 10.898 -4.473 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.699 10.992 -1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.115 12.817 -2.065 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.251 11.348 -3.000 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.538 12.733 -3.792 1.00 0.00 H new ATOM 724 N ASP A 52 -3.588 13.100 -3.167 1.00 0.00 N ATOM 725 CA ASP A 52 -4.668 14.069 -3.151 1.00 0.00 C ATOM 726 C ASP A 52 -5.895 13.585 -2.371 1.00 0.00 C ATOM 727 O ASP A 52 -6.780 14.386 -2.076 1.00 0.00 O ATOM 728 CB ASP A 52 -5.054 14.319 -4.616 1.00 0.00 C ATOM 729 CG ASP A 52 -5.454 13.021 -5.316 1.00 0.00 C ATOM 730 OD1 ASP A 52 -4.564 12.140 -5.401 1.00 0.00 O ATOM 731 OD2 ASP A 52 -6.632 12.921 -5.713 1.00 0.00 O ATOM 0 H ASP A 52 -3.446 12.724 -4.105 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.328 14.974 -2.648 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.881 15.028 -4.660 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.215 14.775 -5.142 1.00 0.00 H new ATOM 736 N ALA A 53 -5.973 12.290 -2.051 1.00 0.00 N ATOM 737 CA ALA A 53 -7.150 11.701 -1.424 1.00 0.00 C ATOM 738 C ALA A 53 -7.543 12.436 -0.139 1.00 0.00 C ATOM 739 O ALA A 53 -6.806 12.413 0.847 1.00 0.00 O ATOM 740 CB ALA A 53 -6.900 10.220 -1.144 1.00 0.00 C ATOM 0 H ALA A 53 -5.219 11.624 -2.221 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.986 11.801 -2.117 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.782 9.784 -0.675 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.694 9.702 -2.081 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.045 10.115 -0.476 1.00 0.00 H new ATOM 746 N ALA A 54 -8.719 13.069 -0.137 1.00 0.00 N ATOM 747 CA ALA A 54 -9.252 13.748 1.033 1.00 0.00 C ATOM 748 C ALA A 54 -9.236 12.811 2.243 1.00 0.00 C ATOM 749 O ALA A 54 -9.767 11.704 2.175 1.00 0.00 O ATOM 750 CB ALA A 54 -10.672 14.237 0.748 1.00 0.00 C ATOM 0 H ALA A 54 -9.327 13.122 -0.955 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.625 14.610 1.261 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -11.066 14.745 1.629 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.656 14.930 -0.094 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.308 13.386 0.505 1.00 0.00 H new ATOM 756 N GLY A 55 -8.607 13.249 3.336 1.00 0.00 N ATOM 757 CA GLY A 55 -8.420 12.446 4.536 1.00 0.00 C ATOM 758 C GLY A 55 -6.988 11.927 4.668 1.00 0.00 C ATOM 759 O GLY A 55 -6.595 11.533 5.763 1.00 0.00 O ATOM 0 H GLY A 55 -8.209 14.185 3.408 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.670 13.043 5.413 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -9.110 11.602 4.517 1.00 0.00 H new ATOM 763 N ALA A 56 -6.206 11.924 3.582 1.00 0.00 N ATOM 764 CA ALA A 56 -4.788 11.599 3.621 1.00 0.00 C ATOM 765 C ALA A 56 -4.079 12.427 4.697 1.00 0.00 C ATOM 766 O ALA A 56 -4.357 13.616 4.845 1.00 0.00 O ATOM 767 CB ALA A 56 -4.180 11.862 2.244 1.00 0.00 C ATOM 0 H ALA A 56 -6.548 12.150 2.648 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.660 10.547 3.874 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.117 11.621 2.264 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.679 11.240 1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.309 12.913 1.984 1.00 0.00 H new ATOM 773 N THR A 57 -3.184 11.792 5.458 1.00 0.00 N ATOM 774 CA THR A 57 -2.576 12.376 6.649 1.00 0.00 C ATOM 775 C THR A 57 -1.084 12.637 6.426 1.00 0.00 C ATOM 776 O THR A 57 -0.675 13.038 5.334 1.00 0.00 O ATOM 777 CB THR A 57 -2.867 11.490 7.872 1.00 0.00 C ATOM 778 OG1 THR A 57 -2.114 10.305 7.768 1.00 0.00 O ATOM 779 CG2 THR A 57 -4.348 11.124 8.008 1.00 0.00 C ATOM 0 H THR A 57 -2.859 10.846 5.259 1.00 0.00 H new ATOM 0 HA THR A 57 -3.022 13.350 6.850 1.00 0.00 H new ATOM 0 HB THR A 57 -2.591 12.063 8.758 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.374 10.330 8.410 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.489 10.498 8.889 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.940 12.034 8.111 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.671 10.579 7.121 1.00 0.00 H new ATOM 787 N ASP A 58 -0.263 12.351 7.440 1.00 0.00 N ATOM 788 CA ASP A 58 1.155 12.258 7.424 1.00 0.00 C ATOM 789 C ASP A 58 1.502 11.031 6.580 1.00 0.00 C ATOM 790 O ASP A 58 1.871 11.149 5.409 1.00 0.00 O ATOM 791 CB ASP A 58 1.615 12.088 8.890 1.00 0.00 C ATOM 792 CG ASP A 58 0.707 11.365 9.881 1.00 0.00 C ATOM 793 OD1 ASP A 58 -0.125 10.546 9.420 1.00 0.00 O ATOM 794 OD2 ASP A 58 0.866 11.536 11.109 1.00 0.00 O ATOM 0 H ASP A 58 -0.635 12.165 8.371 1.00 0.00 H new ATOM 0 HA ASP A 58 1.645 13.135 7.002 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.568 11.560 8.875 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.808 13.083 9.290 1.00 0.00 H new ATOM 799 N GLU A 59 1.334 9.839 7.155 1.00 0.00 N ATOM 800 CA GLU A 59 1.835 8.625 6.572 1.00 0.00 C ATOM 801 C GLU A 59 0.828 8.093 5.572 1.00 0.00 C ATOM 802 O GLU A 59 1.147 7.190 4.804 1.00 0.00 O ATOM 803 CB GLU A 59 2.001 7.551 7.644 1.00 0.00 C ATOM 804 CG GLU A 59 2.354 7.913 9.088 1.00 0.00 C ATOM 805 CD GLU A 59 1.995 6.709 9.947 1.00 0.00 C ATOM 806 OE1 GLU A 59 2.540 5.625 9.654 1.00 0.00 O ATOM 807 OE2 GLU A 59 1.073 6.868 10.784 1.00 0.00 O ATOM 0 H GLU A 59 0.844 9.704 8.039 1.00 0.00 H new ATOM 0 HA GLU A 59 2.791 8.847 6.098 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.068 6.989 7.677 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.773 6.867 7.291 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.414 8.149 9.179 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.802 8.796 9.411 1.00 0.00 H new ATOM 814 N TRP A 60 -0.421 8.558 5.665 1.00 0.00 N ATOM 815 CA TRP A 60 -1.520 7.818 5.097 1.00 0.00 C ATOM 816 C TRP A 60 -1.999 8.541 3.855 1.00 0.00 C ATOM 817 O TRP A 60 -2.075 9.773 3.854 1.00 0.00 O ATOM 818 CB TRP A 60 -2.576 7.611 6.172 1.00 0.00 C ATOM 819 CG TRP A 60 -2.090 6.808 7.339 1.00 0.00 C ATOM 820 CD1 TRP A 60 -1.350 7.263 8.373 1.00 0.00 C ATOM 821 CD2 TRP A 60 -2.244 5.379 7.570 1.00 0.00 C ATOM 822 NE1 TRP A 60 -1.050 6.229 9.230 1.00 0.00 N ATOM 823 CE2 TRP A 60 -1.623 5.052 8.811 1.00 0.00 C ATOM 824 CE3 TRP A 60 -2.843 4.323 6.856 1.00 0.00 C ATOM 825 CZ2 TRP A 60 -1.655 3.762 9.349 1.00 0.00 C ATOM 826 CZ3 TRP A 60 -2.826 3.010 7.360 1.00 0.00 C ATOM 827 CH2 TRP A 60 -2.291 2.740 8.631 1.00 0.00 C ATOM 0 H TRP A 60 -0.681 9.431 6.123 1.00 0.00 H new ATOM 0 HA TRP A 60 -1.230 6.820 4.769 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -2.917 8.583 6.527 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -3.439 7.112 5.731 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -1.039 8.288 8.508 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -0.476 6.324 10.068 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.322 4.524 5.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -1.196 3.556 10.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -3.227 2.203 6.765 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -2.370 1.749 9.053 1.00 0.00 H new ATOM 838 N LYS A 61 -2.196 7.777 2.782 1.00 0.00 N ATOM 839 CA LYS A 61 -2.604 8.244 1.462 1.00 0.00 C ATOM 840 C LYS A 61 -3.795 7.408 0.990 1.00 0.00 C ATOM 841 O LYS A 61 -4.140 6.411 1.618 1.00 0.00 O ATOM 842 CB LYS A 61 -1.419 8.148 0.478 1.00 0.00 C ATOM 843 CG LYS A 61 -0.675 9.480 0.322 1.00 0.00 C ATOM 844 CD LYS A 61 0.228 9.854 1.505 1.00 0.00 C ATOM 845 CE LYS A 61 -0.027 11.289 1.999 1.00 0.00 C ATOM 846 NZ LYS A 61 0.068 11.387 3.470 1.00 0.00 N ATOM 0 H LYS A 61 -2.069 6.765 2.813 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.907 9.290 1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.723 7.385 0.826 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.785 7.824 -0.496 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.067 9.437 -0.582 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.407 10.274 0.176 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.060 9.154 2.324 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.272 9.753 1.209 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.696 11.965 1.542 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.016 11.614 1.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.289 12.313 3.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.501 10.633 3.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.061 11.283 3.761 1.00 0.00 H new ATOM 860 N GLY A 62 -4.428 7.803 -0.115 1.00 0.00 N ATOM 861 CA GLY A 62 -5.422 6.970 -0.771 1.00 0.00 C ATOM 862 C GLY A 62 -4.729 6.055 -1.773 1.00 0.00 C ATOM 863 O GLY A 62 -3.591 6.312 -2.167 1.00 0.00 O ATOM 0 H GLY A 62 -4.265 8.700 -0.572 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.961 6.377 -0.032 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.158 7.593 -1.279 1.00 0.00 H new ATOM 867 N CYS A 63 -5.423 4.998 -2.193 1.00 0.00 N ATOM 868 CA CYS A 63 -4.988 4.088 -3.240 1.00 0.00 C ATOM 869 C CYS A 63 -6.179 3.910 -4.182 1.00 0.00 C ATOM 870 O CYS A 63 -7.322 3.843 -3.731 1.00 0.00 O ATOM 871 CB CYS A 63 -4.478 2.806 -2.624 1.00 0.00 C ATOM 872 SG CYS A 63 -4.285 1.545 -3.897 1.00 0.00 S ATOM 0 H CYS A 63 -6.330 4.748 -1.799 1.00 0.00 H new ATOM 0 HA CYS A 63 -4.149 4.472 -3.820 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.523 2.985 -2.130 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -5.173 2.459 -1.859 1.00 0.00 H new ATOM 877 N GLN A 64 -5.932 3.938 -5.492 1.00 0.00 N ATOM 878 CA GLN A 64 -6.955 4.007 -6.529 1.00 0.00 C ATOM 879 C GLN A 64 -7.868 2.783 -6.457 1.00 0.00 C ATOM 880 O GLN A 64 -9.080 2.897 -6.625 1.00 0.00 O ATOM 881 CB GLN A 64 -6.288 4.145 -7.905 1.00 0.00 C ATOM 882 CG GLN A 64 -5.546 5.484 -8.044 1.00 0.00 C ATOM 883 CD GLN A 64 -4.619 5.529 -9.254 1.00 0.00 C ATOM 884 OE1 GLN A 64 -4.865 4.874 -10.262 1.00 0.00 O ATOM 885 NE2 GLN A 64 -3.518 6.271 -9.155 1.00 0.00 N ATOM 0 H GLN A 64 -4.985 3.912 -5.869 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.580 4.886 -6.369 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.588 3.323 -8.054 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -7.044 4.065 -8.686 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.275 6.291 -8.122 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.964 5.666 -7.140 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.338 6.806 -8.305 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.854 6.305 -9.929 1.00 0.00 H new ATOM 894 N LEU A 65 -7.295 1.612 -6.164 1.00 0.00 N ATOM 895 CA LEU A 65 -8.048 0.375 -6.000 1.00 0.00 C ATOM 896 C LEU A 65 -8.669 0.276 -4.599 1.00 0.00 C ATOM 897 O LEU A 65 -9.251 -0.757 -4.273 1.00 0.00 O ATOM 898 CB LEU A 65 -7.134 -0.837 -6.259 1.00 0.00 C ATOM 899 CG LEU A 65 -6.648 -1.050 -7.706 1.00 0.00 C ATOM 900 CD1 LEU A 65 -7.809 -1.140 -8.703 1.00 0.00 C ATOM 901 CD2 LEU A 65 -5.623 -0.009 -8.169 1.00 0.00 C ATOM 0 H LEU A 65 -6.290 1.500 -6.034 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.860 0.378 -6.727 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.258 -0.744 -5.618 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.665 -1.735 -5.944 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.136 -2.012 -7.689 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.415 -1.290 -9.708 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.453 -1.978 -8.437 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.386 -0.216 -8.674 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.327 -0.222 -9.196 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.066 0.986 -8.118 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.746 -0.049 -7.523 1.00 0.00 H new ATOM 913 N PHE A 66 -8.542 1.310 -3.758 1.00 0.00 N ATOM 914 CA PHE A 66 -8.819 1.226 -2.330 1.00 0.00 C ATOM 915 C PHE A 66 -9.682 2.416 -1.888 1.00 0.00 C ATOM 916 O PHE A 66 -9.218 3.291 -1.159 1.00 0.00 O ATOM 917 CB PHE A 66 -7.466 1.140 -1.594 1.00 0.00 C ATOM 918 CG PHE A 66 -7.307 0.001 -0.612 1.00 0.00 C ATOM 919 CD1 PHE A 66 -8.351 -0.347 0.265 1.00 0.00 C ATOM 920 CD2 PHE A 66 -6.082 -0.690 -0.555 1.00 0.00 C ATOM 921 CE1 PHE A 66 -8.202 -1.451 1.121 1.00 0.00 C ATOM 922 CE2 PHE A 66 -5.929 -1.779 0.316 1.00 0.00 C ATOM 923 CZ PHE A 66 -7.010 -2.198 1.109 1.00 0.00 C ATOM 0 H PHE A 66 -8.240 2.236 -4.060 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.398 0.336 -2.084 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -6.675 1.061 -2.340 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -7.307 2.077 -1.060 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.263 0.232 0.280 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.259 -0.381 -1.183 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -9.004 -1.727 1.790 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.982 -2.294 0.377 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.926 -3.092 1.709 1.00 0.00 H new ATOM 933 N PRO A 67 -10.951 2.474 -2.322 1.00 0.00 N ATOM 934 CA PRO A 67 -11.829 3.585 -2.002 1.00 0.00 C ATOM 935 C PRO A 67 -12.213 3.557 -0.522 1.00 0.00 C ATOM 936 O PRO A 67 -12.207 2.506 0.118 1.00 0.00 O ATOM 937 CB PRO A 67 -13.052 3.417 -2.906 1.00 0.00 C ATOM 938 CG PRO A 67 -13.106 1.909 -3.165 1.00 0.00 C ATOM 939 CD PRO A 67 -11.639 1.474 -3.122 1.00 0.00 C ATOM 0 HA PRO A 67 -11.348 4.549 -2.171 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.961 3.773 -2.421 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.945 3.979 -3.834 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.697 1.395 -2.407 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -13.561 1.686 -4.130 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.538 0.483 -2.680 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.218 1.419 -4.126 1.00 0.00 H new ATOM 947 N GLY A 68 -12.528 4.728 0.034 1.00 0.00 N ATOM 948 CA GLY A 68 -13.024 4.899 1.394 1.00 0.00 C ATOM 949 C GLY A 68 -11.901 4.830 2.429 1.00 0.00 C ATOM 950 O GLY A 68 -11.845 5.644 3.349 1.00 0.00 O ATOM 0 H GLY A 68 -12.441 5.611 -0.470 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.533 5.859 1.476 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.763 4.127 1.610 1.00 0.00 H new ATOM 954 N LYS A 69 -11.026 3.837 2.288 1.00 0.00 N ATOM 955 CA LYS A 69 -9.913 3.605 3.192 1.00 0.00 C ATOM 956 C LYS A 69 -8.717 4.489 2.798 1.00 0.00 C ATOM 957 O LYS A 69 -8.744 5.148 1.761 1.00 0.00 O ATOM 958 CB LYS A 69 -9.489 2.128 3.143 1.00 0.00 C ATOM 959 CG LYS A 69 -10.611 1.078 3.094 1.00 0.00 C ATOM 960 CD LYS A 69 -11.558 1.066 4.305 1.00 0.00 C ATOM 961 CE LYS A 69 -10.856 0.991 5.669 1.00 0.00 C ATOM 962 NZ LYS A 69 -9.837 -0.074 5.750 1.00 0.00 N ATOM 0 H LYS A 69 -11.076 3.161 1.526 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.232 3.857 4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.855 1.987 2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.873 1.924 4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.202 1.245 2.194 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.158 0.091 2.999 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.173 1.966 4.277 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.233 0.216 4.212 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.384 1.951 5.879 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.604 0.827 6.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.310 0.017 6.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.303 -1.003 5.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.179 0.013 4.949 1.00 0.00 H new ATOM 976 N LEU A 70 -7.649 4.467 3.602 1.00 0.00 N ATOM 977 CA LEU A 70 -6.361 5.079 3.302 1.00 0.00 C ATOM 978 C LEU A 70 -5.269 4.047 3.588 1.00 0.00 C ATOM 979 O LEU A 70 -5.311 3.394 4.633 1.00 0.00 O ATOM 980 CB LEU A 70 -6.154 6.316 4.186 1.00 0.00 C ATOM 981 CG LEU A 70 -7.158 7.445 3.908 1.00 0.00 C ATOM 982 CD1 LEU A 70 -7.102 8.449 5.061 1.00 0.00 C ATOM 983 CD2 LEU A 70 -6.871 8.179 2.595 1.00 0.00 C ATOM 0 H LEU A 70 -7.664 4.005 4.511 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.323 5.390 2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.232 6.022 5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.143 6.695 4.036 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.146 6.994 3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.811 9.256 4.875 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.360 7.947 5.993 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.095 8.860 5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.611 8.966 2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.875 8.620 2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.923 7.474 1.765 1.00 0.00 H new ATOM 995 N ILE A 71 -4.306 3.887 2.677 1.00 0.00 N ATOM 996 CA ILE A 71 -3.162 2.998 2.854 1.00 0.00 C ATOM 997 C ILE A 71 -2.005 3.800 3.438 1.00 0.00 C ATOM 998 O ILE A 71 -2.012 5.028 3.383 1.00 0.00 O ATOM 999 CB ILE A 71 -2.772 2.282 1.545 1.00 0.00 C ATOM 1000 CG1 ILE A 71 -1.859 3.044 0.569 1.00 0.00 C ATOM 1001 CG2 ILE A 71 -4.007 1.742 0.817 1.00 0.00 C ATOM 1002 CD1 ILE A 71 -2.340 4.420 0.124 1.00 0.00 C ATOM 0 H ILE A 71 -4.302 4.380 1.784 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.432 2.203 3.549 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.144 1.463 1.897 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.881 3.159 1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.718 2.428 -0.319 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.699 1.243 -0.102 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.526 1.031 1.460 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.676 2.567 0.574 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.613 4.856 -0.561 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.301 4.324 -0.381 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.450 5.066 0.995 1.00 0.00 H new ATOM 1014 N ASN A 72 -1.010 3.121 4.004 1.00 0.00 N ATOM 1015 CA ASN A 72 0.194 3.785 4.480 1.00 0.00 C ATOM 1016 C ASN A 72 1.212 3.839 3.339 1.00 0.00 C ATOM 1017 O ASN A 72 1.401 2.833 2.664 1.00 0.00 O ATOM 1018 CB ASN A 72 0.754 2.998 5.668 1.00 0.00 C ATOM 1019 CG ASN A 72 1.795 3.798 6.445 1.00 0.00 C ATOM 1020 OD1 ASN A 72 2.894 4.049 5.949 1.00 0.00 O ATOM 1021 ND2 ASN A 72 1.438 4.176 7.670 1.00 0.00 N ATOM 0 H ASN A 72 -1.017 2.111 4.143 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.027 4.802 4.803 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -0.062 2.720 6.335 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.202 2.071 5.310 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.090 4.703 8.251 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.513 3.939 8.028 1.00 0.00 H new ATOM 1028 N VAL A 73 1.880 4.982 3.139 1.00 0.00 N ATOM 1029 CA VAL A 73 2.878 5.195 2.081 1.00 0.00 C ATOM 1030 C VAL A 73 3.935 4.112 2.042 1.00 0.00 C ATOM 1031 O VAL A 73 4.520 3.833 1.001 1.00 0.00 O ATOM 1032 CB VAL A 73 3.606 6.531 2.275 1.00 0.00 C ATOM 1033 CG1 VAL A 73 2.607 7.635 2.009 1.00 0.00 C ATOM 1034 CG2 VAL A 73 4.273 6.698 3.652 1.00 0.00 C ATOM 0 H VAL A 73 1.738 5.806 3.723 1.00 0.00 H new ATOM 0 HA VAL A 73 2.316 5.183 1.147 1.00 0.00 H new ATOM 0 HB VAL A 73 4.438 6.570 1.572 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.091 8.603 2.138 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.233 7.549 0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.775 7.549 2.708 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.764 7.670 3.703 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.516 6.633 4.433 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.012 5.910 3.796 1.00 0.00 H new ATOM 1044 N ASN A 74 4.223 3.557 3.208 1.00 0.00 N ATOM 1045 CA ASN A 74 5.010 2.343 3.297 1.00 0.00 C ATOM 1046 C ASN A 74 4.187 1.225 2.649 1.00 0.00 C ATOM 1047 O ASN A 74 4.180 1.088 1.427 1.00 0.00 O ATOM 1048 CB ASN A 74 5.349 2.080 4.769 1.00 0.00 C ATOM 1049 CG ASN A 74 6.290 3.131 5.325 1.00 0.00 C ATOM 1050 OD1 ASN A 74 7.482 3.141 5.031 1.00 0.00 O ATOM 1051 ND2 ASN A 74 5.738 4.019 6.136 1.00 0.00 N ATOM 0 H ASN A 74 3.921 3.931 4.108 1.00 0.00 H new ATOM 0 HA ASN A 74 5.962 2.414 2.770 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.431 2.066 5.357 1.00 0.00 H new ATOM 0 HB3 ASN A 74 5.805 1.095 4.867 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.309 4.756 6.549 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.742 3.966 6.348 1.00 0.00 H new ATOM 1058 N GLY A 75 3.465 0.444 3.448 1.00 0.00 N ATOM 1059 CA GLY A 75 2.536 -0.542 2.938 1.00 0.00 C ATOM 1060 C GLY A 75 3.167 -1.445 1.879 1.00 0.00 C ATOM 1061 O GLY A 75 4.169 -2.091 2.154 1.00 0.00 O ATOM 0 H GLY A 75 3.512 0.482 4.466 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.171 -1.154 3.763 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.671 -0.035 2.510 1.00 0.00 H new ATOM 1065 N TRP A 76 2.577 -1.453 0.682 1.00 0.00 N ATOM 1066 CA TRP A 76 2.818 -2.331 -0.458 1.00 0.00 C ATOM 1067 C TRP A 76 1.678 -3.332 -0.487 1.00 0.00 C ATOM 1068 O TRP A 76 1.334 -3.850 0.574 1.00 0.00 O ATOM 1069 CB TRP A 76 4.145 -3.097 -0.406 1.00 0.00 C ATOM 1070 CG TRP A 76 4.462 -3.902 -1.629 1.00 0.00 C ATOM 1071 CD1 TRP A 76 5.375 -3.542 -2.551 1.00 0.00 C ATOM 1072 CD2 TRP A 76 4.003 -5.236 -2.020 1.00 0.00 C ATOM 1073 NE1 TRP A 76 5.532 -4.553 -3.474 1.00 0.00 N ATOM 1074 CE2 TRP A 76 4.697 -5.616 -3.207 1.00 0.00 C ATOM 1075 CE3 TRP A 76 3.150 -6.205 -1.450 1.00 0.00 C ATOM 1076 CZ2 TRP A 76 4.546 -6.877 -3.799 1.00 0.00 C ATOM 1077 CZ3 TRP A 76 3.008 -7.482 -2.020 1.00 0.00 C ATOM 1078 CH2 TRP A 76 3.708 -7.822 -3.189 1.00 0.00 C ATOM 0 H TRP A 76 1.845 -0.775 0.469 1.00 0.00 H new ATOM 0 HA TRP A 76 2.875 -1.707 -1.350 1.00 0.00 H new ATOM 0 HB2 TRP A 76 4.952 -2.384 -0.240 1.00 0.00 H new ATOM 0 HB3 TRP A 76 4.128 -3.765 0.455 1.00 0.00 H new ATOM 0 HD1 TRP A 76 5.905 -2.601 -2.565 1.00 0.00 H new ATOM 0 HE1 TRP A 76 6.185 -4.519 -4.257 1.00 0.00 H new ATOM 0 HE3 TRP A 76 2.594 -5.960 -0.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 5.068 -7.118 -4.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 2.356 -8.207 -1.556 1.00 0.00 H new ATOM 0 HH2 TRP A 76 3.601 -8.808 -3.617 1.00 0.00 H new ATOM 1089 N CYS A 77 1.149 -3.614 -1.680 1.00 0.00 N ATOM 1090 CA CYS A 77 0.222 -4.697 -1.965 1.00 0.00 C ATOM 1091 C CYS A 77 0.655 -5.355 -3.282 1.00 0.00 C ATOM 1092 O CYS A 77 1.450 -4.778 -4.025 1.00 0.00 O ATOM 1093 CB CYS A 77 -1.198 -4.190 -2.013 1.00 0.00 C ATOM 1094 SG CYS A 77 -1.581 -3.431 -3.612 1.00 0.00 S ATOM 0 H CYS A 77 1.370 -3.063 -2.509 1.00 0.00 H new ATOM 0 HA CYS A 77 0.247 -5.443 -1.171 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -1.886 -5.015 -1.827 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.352 -3.461 -1.217 1.00 0.00 H new ATOM 1099 N ALA A 78 0.153 -6.560 -3.570 1.00 0.00 N ATOM 1100 CA ALA A 78 0.527 -7.357 -4.737 1.00 0.00 C ATOM 1101 C ALA A 78 0.456 -6.547 -6.033 1.00 0.00 C ATOM 1102 O ALA A 78 1.334 -6.638 -6.901 1.00 0.00 O ATOM 1103 CB ALA A 78 -0.373 -8.593 -4.814 1.00 0.00 C ATOM 0 H ALA A 78 -0.543 -7.018 -2.981 1.00 0.00 H new ATOM 0 HA ALA A 78 1.565 -7.669 -4.621 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.097 -9.190 -5.683 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.250 -9.190 -3.910 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.413 -8.281 -4.904 1.00 0.00 H new ATOM 1109 N SER A 79 -0.606 -5.749 -6.156 1.00 0.00 N ATOM 1110 CA SER A 79 -0.859 -4.896 -7.297 1.00 0.00 C ATOM 1111 C SER A 79 0.334 -3.995 -7.599 1.00 0.00 C ATOM 1112 O SER A 79 0.633 -3.808 -8.778 1.00 0.00 O ATOM 1113 CB SER A 79 -2.120 -4.072 -7.035 1.00 0.00 C ATOM 1114 OG SER A 79 -3.078 -4.891 -6.389 1.00 0.00 O ATOM 0 H SER A 79 -1.329 -5.683 -5.439 1.00 0.00 H new ATOM 0 HA SER A 79 -1.012 -5.520 -8.177 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.883 -3.208 -6.414 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.522 -3.690 -7.973 1.00 0.00 H new ATOM 0 HG SER A 79 -3.035 -4.744 -5.421 1.00 0.00 H new ATOM 1120 N TRP A 80 1.018 -3.483 -6.563 1.00 0.00 N ATOM 1121 CA TRP A 80 2.052 -2.446 -6.615 1.00 0.00 C ATOM 1122 C TRP A 80 2.201 -1.792 -7.997 1.00 0.00 C ATOM 1123 O TRP A 80 1.320 -1.044 -8.405 1.00 0.00 O ATOM 1124 CB TRP A 80 3.371 -2.946 -6.003 1.00 0.00 C ATOM 1125 CG TRP A 80 4.444 -1.902 -5.903 1.00 0.00 C ATOM 1126 CD1 TRP A 80 4.374 -0.789 -5.140 1.00 0.00 C ATOM 1127 CD2 TRP A 80 5.698 -1.801 -6.637 1.00 0.00 C ATOM 1128 NE1 TRP A 80 5.463 0.020 -5.387 1.00 0.00 N ATOM 1129 CE2 TRP A 80 6.313 -0.553 -6.316 1.00 0.00 C ATOM 1130 CE3 TRP A 80 6.373 -2.637 -7.552 1.00 0.00 C ATOM 1131 CZ2 TRP A 80 7.522 -0.148 -6.901 1.00 0.00 C ATOM 1132 CZ3 TRP A 80 7.602 -2.255 -8.116 1.00 0.00 C ATOM 1133 CH2 TRP A 80 8.171 -1.007 -7.806 1.00 0.00 C ATOM 0 H TRP A 80 0.851 -3.804 -5.610 1.00 0.00 H new ATOM 0 HA TRP A 80 1.715 -1.624 -5.984 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.169 -3.338 -5.006 1.00 0.00 H new ATOM 0 HB3 TRP A 80 3.744 -3.776 -6.603 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.582 -0.566 -4.440 1.00 0.00 H new ATOM 0 HE1 TRP A 80 5.621 0.924 -4.942 1.00 0.00 H new ATOM 0 HE3 TRP A 80 5.937 -3.587 -7.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 7.950 0.814 -6.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 8.113 -2.924 -8.792 1.00 0.00 H new ATOM 0 HH2 TRP A 80 9.104 -0.709 -8.262 1.00 0.00 H new ATOM 1144 N THR A 81 3.255 -2.137 -8.745 1.00 0.00 N ATOM 1145 CA THR A 81 3.618 -1.539 -10.029 1.00 0.00 C ATOM 1146 C THR A 81 4.298 -0.189 -9.791 1.00 0.00 C ATOM 1147 O THR A 81 3.740 0.682 -9.134 1.00 0.00 O ATOM 1148 CB THR A 81 2.418 -1.445 -10.990 1.00 0.00 C ATOM 1149 OG1 THR A 81 1.796 -2.716 -11.057 1.00 0.00 O ATOM 1150 CG2 THR A 81 2.840 -0.999 -12.390 1.00 0.00 C ATOM 0 H THR A 81 3.903 -2.871 -8.458 1.00 0.00 H new ATOM 0 HA THR A 81 4.331 -2.193 -10.530 1.00 0.00 H new ATOM 0 HB THR A 81 1.725 -0.695 -10.608 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.323 -2.893 -10.217 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.963 -0.946 -13.035 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.308 -0.016 -12.333 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.550 -1.716 -12.802 1.00 0.00 H new ATOM 1158 N LEU A 82 5.516 -0.024 -10.308 1.00 0.00 N ATOM 1159 CA LEU A 82 6.325 1.172 -10.116 1.00 0.00 C ATOM 1160 C LEU A 82 5.583 2.417 -10.626 1.00 0.00 C ATOM 1161 O LEU A 82 5.056 2.423 -11.742 1.00 0.00 O ATOM 1162 CB LEU A 82 7.666 0.962 -10.839 1.00 0.00 C ATOM 1163 CG LEU A 82 8.860 1.795 -10.337 1.00 0.00 C ATOM 1164 CD1 LEU A 82 10.090 1.389 -11.156 1.00 0.00 C ATOM 1165 CD2 LEU A 82 8.679 3.308 -10.483 1.00 0.00 C ATOM 0 H LEU A 82 5.973 -0.733 -10.882 1.00 0.00 H new ATOM 0 HA LEU A 82 6.514 1.339 -9.056 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.931 -0.093 -10.764 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.520 1.180 -11.897 1.00 0.00 H new ATOM 0 HG LEU A 82 8.961 1.591 -9.271 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.955 1.963 -10.823 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.285 0.326 -11.017 1.00 0.00 H new ATOM 0 HD13 LEU A 82 9.906 1.589 -12.212 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.565 3.819 -10.106 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.536 3.558 -11.534 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.806 3.627 -9.913 1.00 0.00 H new ATOM 1177 N LYS A 83 5.548 3.475 -9.811 1.00 0.00 N ATOM 1178 CA LYS A 83 5.068 4.788 -10.213 1.00 0.00 C ATOM 1179 C LYS A 83 5.821 5.319 -11.437 1.00 0.00 C ATOM 1180 O LYS A 83 6.916 5.861 -11.313 1.00 0.00 O ATOM 1181 CB LYS A 83 5.138 5.756 -9.021 1.00 0.00 C ATOM 1182 CG LYS A 83 4.381 7.060 -9.309 1.00 0.00 C ATOM 1183 CD LYS A 83 4.210 7.935 -8.058 1.00 0.00 C ATOM 1184 CE LYS A 83 5.517 8.464 -7.446 1.00 0.00 C ATOM 1185 NZ LYS A 83 6.302 9.287 -8.388 1.00 0.00 N ATOM 0 H LYS A 83 5.858 3.437 -8.840 1.00 0.00 H new ATOM 0 HA LYS A 83 4.025 4.699 -10.517 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.717 5.277 -8.137 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.180 5.982 -8.795 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.916 7.625 -10.072 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.399 6.822 -9.718 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.577 8.785 -8.312 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.680 7.358 -7.300 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.284 9.056 -6.561 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.124 7.621 -7.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.037 9.806 -7.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.749 8.672 -9.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.673 9.964 -8.865 1.00 0.00 H new ATOM 1199 N ALA A 84 5.212 5.202 -12.619 1.00 0.00 N ATOM 1200 CA ALA A 84 5.727 5.758 -13.862 1.00 0.00 C ATOM 1201 C ALA A 84 5.490 7.273 -13.893 1.00 0.00 C ATOM 1202 O ALA A 84 4.726 7.770 -14.718 1.00 0.00 O ATOM 1203 CB ALA A 84 5.047 5.046 -15.037 1.00 0.00 C ATOM 0 H ALA A 84 4.328 4.706 -12.736 1.00 0.00 H new ATOM 0 HA ALA A 84 6.803 5.598 -13.938 1.00 0.00 H new ATOM 0 HB1 ALA A 84 5.423 5.453 -15.976 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.264 3.979 -14.991 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.969 5.200 -14.981 1.00 0.00 H new ATOM 1209 N GLY A 85 6.126 7.999 -12.974 1.00 0.00 N ATOM 1210 CA GLY A 85 5.920 9.415 -12.737 1.00 0.00 C ATOM 1211 C GLY A 85 6.239 9.631 -11.267 1.00 0.00 C ATOM 1212 O GLY A 85 7.143 8.923 -10.767 1.00 0.00 O ATOM 1213 OXT GLY A 85 5.527 10.394 -10.578 1.00 0.00 O ATOM 0 H GLY A 85 6.826 7.594 -12.353 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.569 10.018 -13.372 1.00 0.00 H new ATOM 0 HA3 GLY A 85 4.894 9.706 -12.963 1.00 0.00 H new TER 1217 GLY A 85 HETATM 1218 FE1 SF4 A 86 -0.309 0.572 -2.245 1.00 0.00 FE HETATM 1219 FE2 SF4 A 86 -0.178 0.515 -4.704 1.00 0.00 FE HETATM 1220 FE3 SF4 A 86 -2.410 0.752 -3.642 1.00 0.00 FE HETATM 1221 FE4 SF4 A 86 -1.212 -1.416 -3.506 1.00 0.00 FE HETATM 1222 S1 SF4 A 86 -1.949 -0.515 -5.318 1.00 0.00 S HETATM 1223 S2 SF4 A 86 -2.200 -0.449 -1.845 1.00 0.00 S HETATM 1224 S3 SF4 A 86 0.872 -0.838 -3.384 1.00 0.00 S HETATM 1225 S4 SF4 A 86 -0.820 2.218 -3.550 1.00 0.00 S