USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 740 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 85 SER OG : rot 45:sc= 0.18 USER MOD Set 1.2: A 95 ASN : amide:sc= -2.47 K(o=-2.3,f=-4!) USER MOD Set 2.1: A 68 SER OG : rot 140:sc= 0.0477 USER MOD Set 2.2: A 71 GLN :FLIP amide:sc= 0.302 F(o=-0.34,f=0.35) USER MOD Set 3.1: A 27 TYR OH : rot 180:sc= 0.0498 USER MOD Set 3.2: A 40 SER OG : rot 130:sc= 1.96 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00886 USER MOD Single : A 15 THR OG1 : rot 75:sc= 1.27 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.0168 X(o=-0.017,f=-0.31) USER MOD Single : A 26 HIS : no HD1:sc= -0.322 X(o=-0.32,f=-0.59) USER MOD Single : A 28 THR OG1 : rot 126:sc= -0.712 USER MOD Single : A 30 THR OG1 : rot 86:sc= 0.714 USER MOD Single : A 35 LYS NZ :NH3+ -162:sc= -0.0207 (180deg=-0.168) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -1.77 X(o=-1.8,f=-1.9) USER MOD Single : A 67 MET CE :methyl -131:sc= -4.3! (180deg=-5.46!) USER MOD Single : A 74 LYS NZ :NH3+ -130:sc= 0 (180deg=-1.02) USER MOD Single : A 77 CYS SG : rot 150:sc= 0 USER MOD Single : A 78 SER OG : rot 74:sc= 0.0732 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -26:sc= 2.05 USER MOD Single : A 88 HIS : no HD1:sc= -0.0587 K(o=-0.059,f=-0.94) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00536 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N GLY A 2 0.941 -0.439 -2.809 1.00 0.00 N ATOM 19 CA GLY A 2 0.427 -1.131 -3.976 1.00 0.00 C ATOM 20 C GLY A 2 -1.087 -1.103 -4.047 1.00 0.00 C ATOM 21 O GLY A 2 -1.670 -1.346 -5.104 1.00 0.00 O ATOM 0 HA2 GLY A 2 0.838 -0.674 -4.876 1.00 0.00 H new ATOM 0 HA3 GLY A 2 0.768 -2.166 -3.960 1.00 0.00 H new ATOM 25 N VAL A 3 -1.725 -0.807 -2.920 1.00 0.00 N ATOM 26 CA VAL A 3 -3.181 -0.748 -2.858 1.00 0.00 C ATOM 27 C VAL A 3 -3.646 0.339 -1.897 1.00 0.00 C ATOM 28 O VAL A 3 -3.187 0.412 -0.758 1.00 0.00 O ATOM 29 CB VAL A 3 -3.779 -2.098 -2.418 1.00 0.00 C ATOM 30 CG1 VAL A 3 -3.192 -2.532 -1.084 1.00 0.00 C ATOM 31 CG2 VAL A 3 -5.295 -2.007 -2.339 1.00 0.00 C ATOM 0 H VAL A 3 -1.257 -0.604 -2.037 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.532 -0.514 -3.863 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.521 -2.851 -3.163 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.626 -3.487 -0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.111 -2.638 -1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.417 -1.782 -0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.701 -2.969 -2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.576 -1.242 -1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.695 -1.745 -3.318 1.00 0.00 H new ATOM 41 N GLN A 4 -4.562 1.182 -2.364 1.00 0.00 N ATOM 42 CA GLN A 4 -5.090 2.266 -1.545 1.00 0.00 C ATOM 43 C GLN A 4 -6.614 2.233 -1.514 1.00 0.00 C ATOM 44 O GLN A 4 -7.257 1.840 -2.488 1.00 0.00 O ATOM 45 CB GLN A 4 -4.608 3.617 -2.077 1.00 0.00 C ATOM 46 CG GLN A 4 -3.497 4.238 -1.246 1.00 0.00 C ATOM 47 CD GLN A 4 -2.128 3.696 -1.604 1.00 0.00 C ATOM 48 OE1 GLN A 4 -1.638 3.901 -2.715 1.00 0.00 O ATOM 49 NE2 GLN A 4 -1.501 2.999 -0.663 1.00 0.00 N ATOM 0 H GLN A 4 -4.953 1.135 -3.305 1.00 0.00 H new ATOM 0 HA GLN A 4 -4.721 2.131 -0.528 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -4.257 3.490 -3.101 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -5.452 4.306 -2.113 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -3.504 5.319 -1.387 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.692 4.053 -0.190 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -1.944 2.853 0.244 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -0.576 2.610 -0.848 1.00 0.00 H new ATOM 58 N VAL A 5 -7.188 2.648 -0.389 1.00 0.00 N ATOM 59 CA VAL A 5 -8.638 2.666 -0.232 1.00 0.00 C ATOM 60 C VAL A 5 -9.136 4.066 0.111 1.00 0.00 C ATOM 61 O VAL A 5 -8.936 4.552 1.225 1.00 0.00 O ATOM 62 CB VAL A 5 -9.095 1.687 0.865 1.00 0.00 C ATOM 63 CG1 VAL A 5 -10.604 1.754 1.046 1.00 0.00 C ATOM 64 CG2 VAL A 5 -8.653 0.270 0.532 1.00 0.00 C ATOM 0 H VAL A 5 -6.671 2.976 0.427 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.064 2.356 -1.186 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.627 1.978 1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.908 1.055 1.825 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -10.891 2.765 1.333 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -11.095 1.489 0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -8.984 -0.409 1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -9.091 -0.034 -0.419 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.566 0.236 0.458 1.00 0.00 H new ATOM 74 N VAL A 6 -9.786 4.710 -0.853 1.00 0.00 N ATOM 75 CA VAL A 6 -10.314 6.054 -0.653 1.00 0.00 C ATOM 76 C VAL A 6 -11.740 6.009 -0.115 1.00 0.00 C ATOM 77 O VAL A 6 -12.694 5.808 -0.867 1.00 0.00 O ATOM 78 CB VAL A 6 -10.297 6.865 -1.962 1.00 0.00 C ATOM 79 CG1 VAL A 6 -10.671 8.315 -1.698 1.00 0.00 C ATOM 80 CG2 VAL A 6 -8.932 6.771 -2.628 1.00 0.00 C ATOM 0 H VAL A 6 -9.960 4.322 -1.780 1.00 0.00 H new ATOM 0 HA VAL A 6 -9.668 6.542 0.076 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.038 6.442 -2.640 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.653 8.872 -2.635 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.672 8.360 -1.268 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.957 8.754 -1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.937 7.350 -3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.171 7.167 -1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.709 5.728 -2.854 1.00 0.00 H new ATOM 90 N THR A 7 -11.879 6.198 1.194 1.00 0.00 N ATOM 91 CA THR A 7 -13.189 6.178 1.834 1.00 0.00 C ATOM 92 C THR A 7 -14.165 7.102 1.115 1.00 0.00 C ATOM 93 O THR A 7 -13.933 8.307 1.009 1.00 0.00 O ATOM 94 CB THR A 7 -13.097 6.597 3.313 1.00 0.00 C ATOM 95 OG1 THR A 7 -11.975 5.959 3.934 1.00 0.00 O ATOM 96 CG2 THR A 7 -14.371 6.232 4.059 1.00 0.00 C ATOM 0 H THR A 7 -11.101 6.367 1.831 1.00 0.00 H new ATOM 0 HA THR A 7 -13.554 5.153 1.777 1.00 0.00 H new ATOM 0 HB THR A 7 -12.968 7.679 3.354 1.00 0.00 H new ATOM 0 HG1 THR A 7 -11.922 6.232 4.874 1.00 0.00 H new ATOM 0 HG21 THR A 7 -14.282 6.538 5.102 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.219 6.742 3.602 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.526 5.154 4.009 1.00 0.00 H new ATOM 104 N LEU A 8 -15.260 6.532 0.624 1.00 0.00 N ATOM 105 CA LEU A 8 -16.274 7.305 -0.084 1.00 0.00 C ATOM 106 C LEU A 8 -17.479 7.572 0.811 1.00 0.00 C ATOM 107 O LEU A 8 -17.916 8.713 0.957 1.00 0.00 O ATOM 108 CB LEU A 8 -16.717 6.566 -1.348 1.00 0.00 C ATOM 109 CG LEU A 8 -15.640 6.350 -2.412 1.00 0.00 C ATOM 110 CD1 LEU A 8 -16.036 5.223 -3.352 1.00 0.00 C ATOM 111 CD2 LEU A 8 -15.394 7.634 -3.190 1.00 0.00 C ATOM 0 H LEU A 8 -15.468 5.537 0.703 1.00 0.00 H new ATOM 0 HA LEU A 8 -15.835 8.262 -0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -17.111 5.593 -1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -17.539 7.121 -1.800 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.714 6.069 -1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -15.257 5.084 -4.102 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -16.160 4.302 -2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -16.975 5.474 -3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -14.625 7.462 -3.943 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -16.317 7.946 -3.679 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.064 8.416 -2.506 1.00 0.00 H new ATOM 123 N ALA A 9 -18.011 6.512 1.411 1.00 0.00 N ATOM 124 CA ALA A 9 -19.163 6.632 2.295 1.00 0.00 C ATOM 125 C ALA A 9 -19.001 5.752 3.530 1.00 0.00 C ATOM 126 O ALA A 9 -19.118 4.529 3.452 1.00 0.00 O ATOM 127 CB ALA A 9 -20.440 6.272 1.551 1.00 0.00 C ATOM 0 H ALA A 9 -17.662 5.560 1.300 1.00 0.00 H new ATOM 0 HA ALA A 9 -19.229 7.668 2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -21.292 6.366 2.224 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -20.570 6.946 0.704 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -20.374 5.245 1.191 1.00 0.00 H new ATOM 133 N ALA A 10 -18.732 6.381 4.669 1.00 0.00 N ATOM 134 CA ALA A 10 -18.556 5.655 5.920 1.00 0.00 C ATOM 135 C ALA A 10 -19.773 4.790 6.229 1.00 0.00 C ATOM 136 O ALA A 10 -20.913 5.224 6.065 1.00 0.00 O ATOM 137 CB ALA A 10 -18.294 6.626 7.062 1.00 0.00 C ATOM 0 H ALA A 10 -18.631 7.393 4.751 1.00 0.00 H new ATOM 0 HA ALA A 10 -17.693 4.998 5.811 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.165 6.070 7.990 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -17.390 7.198 6.853 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -19.139 7.307 7.162 1.00 0.00 H new ATOM 143 N GLY A 11 -19.524 3.563 6.675 1.00 0.00 N ATOM 144 CA GLY A 11 -20.610 2.656 6.999 1.00 0.00 C ATOM 145 C GLY A 11 -20.648 2.298 8.471 1.00 0.00 C ATOM 146 O GLY A 11 -20.749 3.177 9.328 1.00 0.00 O ATOM 0 H GLY A 11 -18.589 3.180 6.818 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -21.558 3.113 6.715 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -20.506 1.745 6.409 1.00 0.00 H new ATOM 150 N ASP A 12 -20.568 1.006 8.767 1.00 0.00 N ATOM 151 CA ASP A 12 -20.594 0.534 10.147 1.00 0.00 C ATOM 152 C ASP A 12 -19.306 0.908 10.874 1.00 0.00 C ATOM 153 O ASP A 12 -19.330 1.271 12.050 1.00 0.00 O ATOM 154 CB ASP A 12 -20.795 -0.982 10.186 1.00 0.00 C ATOM 155 CG ASP A 12 -21.110 -1.488 11.580 1.00 0.00 C ATOM 156 OD1 ASP A 12 -22.010 -0.916 12.229 1.00 0.00 O ATOM 157 OD2 ASP A 12 -20.456 -2.456 12.022 1.00 0.00 O ATOM 0 H ASP A 12 -20.485 0.266 8.070 1.00 0.00 H new ATOM 0 HA ASP A 12 -21.429 1.017 10.654 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -21.606 -1.256 9.511 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -19.895 -1.475 9.818 1.00 0.00 H new ATOM 162 N GLU A 13 -18.185 0.817 10.166 1.00 0.00 N ATOM 163 CA GLU A 13 -16.887 1.144 10.746 1.00 0.00 C ATOM 164 C GLU A 13 -16.679 0.405 12.065 1.00 0.00 C ATOM 165 O GLU A 13 -16.318 1.008 13.075 1.00 0.00 O ATOM 166 CB GLU A 13 -16.769 2.653 10.969 1.00 0.00 C ATOM 167 CG GLU A 13 -15.339 3.163 10.934 1.00 0.00 C ATOM 168 CD GLU A 13 -15.256 4.674 11.032 1.00 0.00 C ATOM 169 OE1 GLU A 13 -16.040 5.263 11.804 1.00 0.00 O ATOM 170 OE2 GLU A 13 -14.405 5.267 10.336 1.00 0.00 O ATOM 0 H GLU A 13 -18.149 0.520 9.191 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.114 0.826 10.046 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.349 3.171 10.206 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.212 2.905 11.932 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.778 2.718 11.756 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.863 2.836 10.010 1.00 0.00 H new ATOM 177 N ALA A 14 -16.912 -0.903 12.047 1.00 0.00 N ATOM 178 CA ALA A 14 -16.749 -1.724 13.241 1.00 0.00 C ATOM 179 C ALA A 14 -16.615 -3.199 12.878 1.00 0.00 C ATOM 180 O ALA A 14 -15.813 -3.924 13.467 1.00 0.00 O ATOM 181 CB ALA A 14 -17.921 -1.516 14.189 1.00 0.00 C ATOM 0 H ALA A 14 -17.214 -1.417 11.219 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.832 -1.415 13.742 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -17.786 -2.135 15.076 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -17.970 -0.467 14.482 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -18.848 -1.796 13.689 1.00 0.00 H new ATOM 187 N THR A 15 -17.406 -3.639 11.904 1.00 0.00 N ATOM 188 CA THR A 15 -17.377 -5.028 11.465 1.00 0.00 C ATOM 189 C THR A 15 -16.498 -5.196 10.230 1.00 0.00 C ATOM 190 O THR A 15 -16.914 -4.886 9.113 1.00 0.00 O ATOM 191 CB THR A 15 -18.792 -5.546 11.147 1.00 0.00 C ATOM 192 OG1 THR A 15 -19.727 -5.038 12.106 1.00 0.00 O ATOM 193 CG2 THR A 15 -18.826 -7.067 11.156 1.00 0.00 C ATOM 0 H THR A 15 -18.075 -3.053 11.404 1.00 0.00 H new ATOM 0 HA THR A 15 -16.960 -5.611 12.287 1.00 0.00 H new ATOM 0 HB THR A 15 -19.067 -5.197 10.152 1.00 0.00 H new ATOM 0 HG1 THR A 15 -19.907 -4.093 11.919 1.00 0.00 H new ATOM 0 HG21 THR A 15 -19.835 -7.410 10.929 1.00 0.00 H new ATOM 0 HG22 THR A 15 -18.135 -7.451 10.405 1.00 0.00 H new ATOM 0 HG23 THR A 15 -18.532 -7.432 12.140 1.00 0.00 H new ATOM 201 N TYR A 16 -15.282 -5.687 10.438 1.00 0.00 N ATOM 202 CA TYR A 16 -14.344 -5.895 9.342 1.00 0.00 C ATOM 203 C TYR A 16 -14.115 -7.383 9.094 1.00 0.00 C ATOM 204 O TYR A 16 -14.119 -8.199 10.016 1.00 0.00 O ATOM 205 CB TYR A 16 -13.012 -5.206 9.645 1.00 0.00 C ATOM 206 CG TYR A 16 -13.146 -3.727 9.928 1.00 0.00 C ATOM 207 CD1 TYR A 16 -13.649 -3.275 11.142 1.00 0.00 C ATOM 208 CD2 TYR A 16 -12.771 -2.781 8.982 1.00 0.00 C ATOM 209 CE1 TYR A 16 -13.773 -1.924 11.405 1.00 0.00 C ATOM 210 CE2 TYR A 16 -12.891 -1.429 9.237 1.00 0.00 C ATOM 211 CZ TYR A 16 -13.393 -1.005 10.450 1.00 0.00 C ATOM 212 OH TYR A 16 -13.515 0.341 10.707 1.00 0.00 O ATOM 0 H TYR A 16 -14.923 -5.949 11.356 1.00 0.00 H new ATOM 0 HA TYR A 16 -14.775 -5.458 8.441 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -12.549 -5.691 10.504 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -12.339 -5.346 8.799 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -13.948 -3.992 11.893 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -12.379 -3.109 8.031 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -14.166 -1.590 12.354 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -12.593 -0.707 8.491 1.00 0.00 H new ATOM 0 HH TYR A 16 -13.202 0.852 9.931 1.00 0.00 H new ATOM 222 N PRO A 17 -13.910 -7.745 7.819 1.00 0.00 N ATOM 223 CA PRO A 17 -13.674 -9.135 7.419 1.00 0.00 C ATOM 224 C PRO A 17 -12.317 -9.650 7.886 1.00 0.00 C ATOM 225 O PRO A 17 -11.275 -9.109 7.517 1.00 0.00 O ATOM 226 CB PRO A 17 -13.727 -9.078 5.890 1.00 0.00 C ATOM 227 CG PRO A 17 -13.359 -7.675 5.550 1.00 0.00 C ATOM 228 CD PRO A 17 -13.892 -6.824 6.670 1.00 0.00 C ATOM 0 HA PRO A 17 -14.403 -9.815 7.859 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -13.032 -9.789 5.443 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.721 -9.328 5.519 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -12.278 -7.566 5.458 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.792 -7.379 4.595 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.254 -5.960 6.857 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -14.888 -6.442 6.446 1.00 0.00 H new ATOM 236 N LYS A 18 -12.336 -10.701 8.700 1.00 0.00 N ATOM 237 CA LYS A 18 -11.108 -11.292 9.217 1.00 0.00 C ATOM 238 C LYS A 18 -10.515 -12.278 8.215 1.00 0.00 C ATOM 239 O LYS A 18 -11.243 -12.937 7.474 1.00 0.00 O ATOM 240 CB LYS A 18 -11.378 -11.999 10.546 1.00 0.00 C ATOM 241 CG LYS A 18 -10.158 -12.088 11.447 1.00 0.00 C ATOM 242 CD LYS A 18 -10.540 -12.475 12.866 1.00 0.00 C ATOM 243 CE LYS A 18 -10.490 -13.982 13.064 1.00 0.00 C ATOM 244 NZ LYS A 18 -10.932 -14.376 14.431 1.00 0.00 N ATOM 0 H LYS A 18 -13.190 -11.161 9.016 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.388 -10.490 9.380 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -12.172 -11.471 11.074 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.745 -13.006 10.344 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.460 -12.822 11.044 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.641 -11.128 11.457 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.864 -11.991 13.571 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.544 -12.111 13.086 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.125 -14.467 12.323 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.474 -14.337 12.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.884 -15.410 14.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.311 -13.934 15.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.911 -14.059 14.584 1.00 0.00 H new ATOM 258 N ALA A 19 -9.190 -12.375 8.200 1.00 0.00 N ATOM 259 CA ALA A 19 -8.500 -13.283 7.293 1.00 0.00 C ATOM 260 C ALA A 19 -8.976 -14.719 7.486 1.00 0.00 C ATOM 261 O ALA A 19 -8.961 -15.243 8.599 1.00 0.00 O ATOM 262 CB ALA A 19 -6.995 -13.192 7.497 1.00 0.00 C ATOM 0 H ALA A 19 -8.573 -11.835 8.806 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.735 -12.984 6.272 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.493 -13.876 6.813 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.662 -12.173 7.301 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.750 -13.462 8.524 1.00 0.00 H new ATOM 268 N GLY A 20 -9.400 -15.349 6.395 1.00 0.00 N ATOM 269 CA GLY A 20 -9.876 -16.718 6.466 1.00 0.00 C ATOM 270 C GLY A 20 -11.389 -16.806 6.476 1.00 0.00 C ATOM 271 O GLY A 20 -11.955 -17.881 6.280 1.00 0.00 O ATOM 0 H GLY A 20 -9.422 -14.936 5.463 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.488 -17.279 5.616 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.482 -17.190 7.366 1.00 0.00 H new ATOM 275 N GLN A 21 -12.045 -15.674 6.707 1.00 0.00 N ATOM 276 CA GLN A 21 -13.502 -15.629 6.745 1.00 0.00 C ATOM 277 C GLN A 21 -14.066 -15.161 5.407 1.00 0.00 C ATOM 278 O GLN A 21 -13.375 -14.513 4.622 1.00 0.00 O ATOM 279 CB GLN A 21 -13.976 -14.701 7.864 1.00 0.00 C ATOM 280 CG GLN A 21 -14.340 -15.432 9.147 1.00 0.00 C ATOM 281 CD GLN A 21 -14.093 -14.594 10.386 1.00 0.00 C ATOM 282 OE1 GLN A 21 -13.392 -15.016 11.305 1.00 0.00 O ATOM 283 NE2 GLN A 21 -14.670 -13.398 10.417 1.00 0.00 N ATOM 0 H GLN A 21 -11.591 -14.775 6.871 1.00 0.00 H new ATOM 0 HA GLN A 21 -13.867 -16.637 6.941 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -13.192 -13.975 8.079 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -14.844 -14.140 7.517 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -15.391 -15.720 9.111 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -13.760 -16.352 9.214 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -15.243 -13.088 9.633 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -14.540 -12.790 11.225 1.00 0.00 H new ATOM 292 N VAL A 22 -15.328 -15.495 5.154 1.00 0.00 N ATOM 293 CA VAL A 22 -15.986 -15.109 3.912 1.00 0.00 C ATOM 294 C VAL A 22 -16.657 -13.746 4.046 1.00 0.00 C ATOM 295 O VAL A 22 -17.309 -13.461 5.049 1.00 0.00 O ATOM 296 CB VAL A 22 -17.041 -16.149 3.488 1.00 0.00 C ATOM 297 CG1 VAL A 22 -18.066 -16.349 4.594 1.00 0.00 C ATOM 298 CG2 VAL A 22 -17.717 -15.724 2.193 1.00 0.00 C ATOM 0 H VAL A 22 -15.914 -16.032 5.793 1.00 0.00 H new ATOM 0 HA VAL A 22 -15.211 -15.056 3.147 1.00 0.00 H new ATOM 0 HB VAL A 22 -16.539 -17.101 3.313 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -18.803 -17.087 4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -17.565 -16.701 5.496 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -18.566 -15.403 4.803 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -18.459 -16.470 1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -18.207 -14.761 2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.970 -15.636 1.404 1.00 0.00 H new ATOM 308 N ALA A 23 -16.491 -12.909 3.027 1.00 0.00 N ATOM 309 CA ALA A 23 -17.083 -11.577 3.030 1.00 0.00 C ATOM 310 C ALA A 23 -17.744 -11.267 1.691 1.00 0.00 C ATOM 311 O ALA A 23 -17.283 -11.715 0.641 1.00 0.00 O ATOM 312 CB ALA A 23 -16.026 -10.531 3.354 1.00 0.00 C ATOM 0 H ALA A 23 -15.952 -13.130 2.190 1.00 0.00 H new ATOM 0 HA ALA A 23 -17.854 -11.550 3.800 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -16.482 -9.541 3.353 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.602 -10.734 4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -15.236 -10.568 2.604 1.00 0.00 H new ATOM 318 N VAL A 24 -18.827 -10.497 1.735 1.00 0.00 N ATOM 319 CA VAL A 24 -19.551 -10.127 0.525 1.00 0.00 C ATOM 320 C VAL A 24 -19.541 -8.616 0.319 1.00 0.00 C ATOM 321 O VAL A 24 -19.933 -7.855 1.204 1.00 0.00 O ATOM 322 CB VAL A 24 -21.010 -10.618 0.572 1.00 0.00 C ATOM 323 CG1 VAL A 24 -21.691 -10.397 -0.771 1.00 0.00 C ATOM 324 CG2 VAL A 24 -21.066 -12.084 0.973 1.00 0.00 C ATOM 0 H VAL A 24 -19.222 -10.118 2.596 1.00 0.00 H new ATOM 0 HA VAL A 24 -19.040 -10.608 -0.309 1.00 0.00 H new ATOM 0 HB VAL A 24 -21.546 -10.039 1.324 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -22.721 -10.750 -0.719 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -21.683 -9.334 -1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -21.157 -10.949 -1.545 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -22.104 -12.414 1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -20.515 -12.681 0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -20.619 -12.209 1.959 1.00 0.00 H new ATOM 334 N VAL A 25 -19.090 -8.187 -0.856 1.00 0.00 N ATOM 335 CA VAL A 25 -19.030 -6.767 -1.180 1.00 0.00 C ATOM 336 C VAL A 25 -19.340 -6.526 -2.652 1.00 0.00 C ATOM 337 O VAL A 25 -19.358 -7.459 -3.456 1.00 0.00 O ATOM 338 CB VAL A 25 -17.645 -6.175 -0.855 1.00 0.00 C ATOM 339 CG1 VAL A 25 -17.140 -6.700 0.481 1.00 0.00 C ATOM 340 CG2 VAL A 25 -16.657 -6.489 -1.968 1.00 0.00 C ATOM 0 H VAL A 25 -18.761 -8.803 -1.599 1.00 0.00 H new ATOM 0 HA VAL A 25 -19.782 -6.271 -0.567 1.00 0.00 H new ATOM 0 HB VAL A 25 -17.741 -5.092 -0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -16.161 -6.271 0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.838 -6.419 1.270 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -17.059 -7.786 0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.684 -6.063 -1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.563 -7.569 -2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -17.015 -6.060 -2.904 1.00 0.00 H new ATOM 350 N HIS A 26 -19.585 -5.266 -3.001 1.00 0.00 N ATOM 351 CA HIS A 26 -19.895 -4.901 -4.379 1.00 0.00 C ATOM 352 C HIS A 26 -18.710 -4.196 -5.033 1.00 0.00 C ATOM 353 O HIS A 26 -18.219 -3.187 -4.527 1.00 0.00 O ATOM 354 CB HIS A 26 -21.129 -4.000 -4.425 1.00 0.00 C ATOM 355 CG HIS A 26 -22.382 -4.720 -4.817 1.00 0.00 C ATOM 356 ND1 HIS A 26 -22.526 -5.383 -6.017 1.00 0.00 N ATOM 357 CD2 HIS A 26 -23.554 -4.879 -4.158 1.00 0.00 C ATOM 358 CE1 HIS A 26 -23.732 -5.918 -6.081 1.00 0.00 C ATOM 359 NE2 HIS A 26 -24.376 -5.628 -4.965 1.00 0.00 N ATOM 0 H HIS A 26 -19.575 -4.482 -2.349 1.00 0.00 H new ATOM 0 HA HIS A 26 -20.103 -5.816 -4.934 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -21.273 -3.545 -3.445 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -20.950 -3.189 -5.131 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -23.797 -4.490 -3.180 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -24.125 -6.494 -6.906 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -25.329 -5.914 -4.739 1.00 0.00 H new ATOM 367 N TYR A 27 -18.256 -4.735 -6.160 1.00 0.00 N ATOM 368 CA TYR A 27 -17.127 -4.160 -6.881 1.00 0.00 C ATOM 369 C TYR A 27 -17.604 -3.358 -8.089 1.00 0.00 C ATOM 370 O TYR A 27 -18.545 -3.751 -8.779 1.00 0.00 O ATOM 371 CB TYR A 27 -16.169 -5.262 -7.333 1.00 0.00 C ATOM 372 CG TYR A 27 -16.765 -6.201 -8.358 1.00 0.00 C ATOM 373 CD1 TYR A 27 -16.799 -5.860 -9.704 1.00 0.00 C ATOM 374 CD2 TYR A 27 -17.294 -7.429 -7.979 1.00 0.00 C ATOM 375 CE1 TYR A 27 -17.343 -6.714 -10.644 1.00 0.00 C ATOM 376 CE2 TYR A 27 -17.839 -8.290 -8.912 1.00 0.00 C ATOM 377 CZ TYR A 27 -17.862 -7.928 -10.243 1.00 0.00 C ATOM 378 OH TYR A 27 -18.404 -8.782 -11.175 1.00 0.00 O ATOM 0 H TYR A 27 -18.653 -5.569 -6.593 1.00 0.00 H new ATOM 0 HA TYR A 27 -16.601 -3.486 -6.204 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -15.273 -4.804 -7.751 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -15.856 -5.839 -6.463 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -16.393 -4.911 -10.021 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -17.279 -7.715 -6.938 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -17.362 -6.433 -11.687 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -18.245 -9.241 -8.601 1.00 0.00 H new ATOM 0 HH TYR A 27 -18.724 -9.593 -10.728 1.00 0.00 H new ATOM 388 N THR A 28 -16.946 -2.230 -8.339 1.00 0.00 N ATOM 389 CA THR A 28 -17.301 -1.371 -9.462 1.00 0.00 C ATOM 390 C THR A 28 -16.059 -0.899 -10.207 1.00 0.00 C ATOM 391 O THR A 28 -15.133 -0.353 -9.608 1.00 0.00 O ATOM 392 CB THR A 28 -18.106 -0.143 -8.997 1.00 0.00 C ATOM 393 OG1 THR A 28 -19.343 -0.560 -8.409 1.00 0.00 O ATOM 394 CG2 THR A 28 -18.384 0.794 -10.163 1.00 0.00 C ATOM 0 H THR A 28 -16.164 -1.890 -7.779 1.00 0.00 H new ATOM 0 HA THR A 28 -17.919 -1.967 -10.134 1.00 0.00 H new ATOM 0 HB THR A 28 -17.514 0.391 -8.254 1.00 0.00 H new ATOM 0 HG1 THR A 28 -19.426 -0.173 -7.513 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.954 1.654 -9.811 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.440 1.134 -10.590 1.00 0.00 H new ATOM 0 HG23 THR A 28 -18.958 0.266 -10.925 1.00 0.00 H new ATOM 402 N GLY A 29 -16.044 -1.111 -11.520 1.00 0.00 N ATOM 403 CA GLY A 29 -14.909 -0.700 -12.325 1.00 0.00 C ATOM 404 C GLY A 29 -14.742 0.806 -12.366 1.00 0.00 C ATOM 405 O GLY A 29 -15.725 1.548 -12.374 1.00 0.00 O ATOM 0 H GLY A 29 -16.798 -1.560 -12.040 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -14.001 -1.152 -11.925 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.032 -1.077 -13.340 1.00 0.00 H new ATOM 409 N THR A 30 -13.493 1.261 -12.389 1.00 0.00 N ATOM 410 CA THR A 30 -13.200 2.688 -12.425 1.00 0.00 C ATOM 411 C THR A 30 -11.721 2.939 -12.693 1.00 0.00 C ATOM 412 O THR A 30 -10.856 2.245 -12.156 1.00 0.00 O ATOM 413 CB THR A 30 -13.595 3.376 -11.105 1.00 0.00 C ATOM 414 OG1 THR A 30 -14.130 2.413 -10.191 1.00 0.00 O ATOM 415 CG2 THR A 30 -14.621 4.472 -11.352 1.00 0.00 C ATOM 0 H THR A 30 -12.668 0.661 -12.383 1.00 0.00 H new ATOM 0 HA THR A 30 -13.790 3.111 -13.238 1.00 0.00 H new ATOM 0 HB THR A 30 -12.701 3.827 -10.675 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.398 1.991 -9.694 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.885 4.944 -10.405 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.200 5.219 -12.025 1.00 0.00 H new ATOM 0 HG23 THR A 30 -15.514 4.039 -11.803 1.00 0.00 H new ATOM 423 N LEU A 31 -11.435 3.934 -13.525 1.00 0.00 N ATOM 424 CA LEU A 31 -10.058 4.277 -13.863 1.00 0.00 C ATOM 425 C LEU A 31 -9.571 5.459 -13.031 1.00 0.00 C ATOM 426 O LEU A 31 -10.371 6.228 -12.499 1.00 0.00 O ATOM 427 CB LEU A 31 -9.946 4.607 -15.353 1.00 0.00 C ATOM 428 CG LEU A 31 -9.897 3.410 -16.303 1.00 0.00 C ATOM 429 CD1 LEU A 31 -9.816 3.879 -17.748 1.00 0.00 C ATOM 430 CD2 LEU A 31 -8.717 2.510 -15.966 1.00 0.00 C ATOM 0 H LEU A 31 -12.138 4.518 -13.978 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.429 3.415 -13.639 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.795 5.232 -15.631 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.047 5.204 -15.506 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.814 2.834 -16.180 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.782 3.014 -18.410 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.692 4.482 -17.984 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.915 4.477 -17.886 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.698 1.663 -16.652 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.790 3.075 -16.061 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.817 2.146 -14.943 1.00 0.00 H new ATOM 442 N ALA A 32 -8.254 5.598 -12.924 1.00 0.00 N ATOM 443 CA ALA A 32 -7.660 6.689 -12.161 1.00 0.00 C ATOM 444 C ALA A 32 -8.108 8.043 -12.699 1.00 0.00 C ATOM 445 O ALA A 32 -8.056 9.050 -11.992 1.00 0.00 O ATOM 446 CB ALA A 32 -6.143 6.585 -12.185 1.00 0.00 C ATOM 0 H ALA A 32 -7.578 4.969 -13.356 1.00 0.00 H new ATOM 0 HA ALA A 32 -8.002 6.606 -11.130 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.713 7.406 -11.611 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.836 5.636 -11.746 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.791 6.639 -13.215 1.00 0.00 H new ATOM 452 N ASP A 33 -8.548 8.061 -13.952 1.00 0.00 N ATOM 453 CA ASP A 33 -9.005 9.293 -14.585 1.00 0.00 C ATOM 454 C ASP A 33 -10.450 9.597 -14.200 1.00 0.00 C ATOM 455 O ASP A 33 -10.932 10.713 -14.391 1.00 0.00 O ATOM 456 CB ASP A 33 -8.881 9.187 -16.106 1.00 0.00 C ATOM 457 CG ASP A 33 -7.478 9.486 -16.594 1.00 0.00 C ATOM 458 OD1 ASP A 33 -6.813 10.355 -15.992 1.00 0.00 O ATOM 459 OD2 ASP A 33 -7.045 8.852 -17.579 1.00 0.00 O ATOM 0 H ASP A 33 -8.598 7.236 -14.550 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.374 10.109 -14.233 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.166 8.184 -16.422 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.581 9.880 -16.574 1.00 0.00 H new ATOM 464 N GLY A 34 -11.136 8.596 -13.657 1.00 0.00 N ATOM 465 CA GLY A 34 -12.518 8.776 -13.254 1.00 0.00 C ATOM 466 C GLY A 34 -13.483 7.998 -14.127 1.00 0.00 C ATOM 467 O GLY A 34 -14.638 7.790 -13.757 1.00 0.00 O ATOM 0 H GLY A 34 -10.759 7.663 -13.489 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.635 8.460 -12.217 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.770 9.836 -13.294 1.00 0.00 H new ATOM 471 N LYS A 35 -13.009 7.567 -15.292 1.00 0.00 N ATOM 472 CA LYS A 35 -13.836 6.808 -16.221 1.00 0.00 C ATOM 473 C LYS A 35 -14.496 5.624 -15.521 1.00 0.00 C ATOM 474 O LYS A 35 -13.817 4.769 -14.953 1.00 0.00 O ATOM 475 CB LYS A 35 -12.993 6.312 -17.399 1.00 0.00 C ATOM 476 CG LYS A 35 -13.374 6.942 -18.727 1.00 0.00 C ATOM 477 CD LYS A 35 -14.778 6.544 -19.151 1.00 0.00 C ATOM 478 CE LYS A 35 -14.766 5.292 -20.014 1.00 0.00 C ATOM 479 NZ LYS A 35 -14.222 5.561 -21.374 1.00 0.00 N ATOM 0 H LYS A 35 -12.055 7.731 -15.614 1.00 0.00 H new ATOM 0 HA LYS A 35 -14.618 7.469 -16.594 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.942 6.520 -17.196 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.095 5.230 -17.477 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.311 8.027 -18.647 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.661 6.637 -19.493 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -15.391 6.371 -18.266 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -15.238 7.363 -19.703 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.166 4.522 -19.529 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -15.779 4.900 -20.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.503 4.794 -22.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -14.598 6.464 -21.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.184 5.612 -21.329 1.00 0.00 H new ATOM 493 N VAL A 36 -15.824 5.581 -15.566 1.00 0.00 N ATOM 494 CA VAL A 36 -16.575 4.501 -14.938 1.00 0.00 C ATOM 495 C VAL A 36 -16.587 3.256 -15.818 1.00 0.00 C ATOM 496 O VAL A 36 -16.724 3.346 -17.038 1.00 0.00 O ATOM 497 CB VAL A 36 -18.027 4.923 -14.645 1.00 0.00 C ATOM 498 CG1 VAL A 36 -18.832 4.997 -15.933 1.00 0.00 C ATOM 499 CG2 VAL A 36 -18.672 3.962 -13.658 1.00 0.00 C ATOM 0 H VAL A 36 -16.401 6.282 -16.031 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.074 4.273 -13.997 1.00 0.00 H new ATOM 0 HB VAL A 36 -18.015 5.916 -14.195 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.855 5.297 -15.706 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.380 5.728 -16.603 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.839 4.019 -16.415 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -19.698 4.275 -13.462 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.674 2.956 -14.078 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -18.108 3.965 -12.725 1.00 0.00 H new ATOM 509 N PHE A 37 -16.444 2.093 -15.190 1.00 0.00 N ATOM 510 CA PHE A 37 -16.439 0.828 -15.916 1.00 0.00 C ATOM 511 C PHE A 37 -17.563 -0.082 -15.431 1.00 0.00 C ATOM 512 O PHE A 37 -18.378 0.311 -14.596 1.00 0.00 O ATOM 513 CB PHE A 37 -15.090 0.126 -15.749 1.00 0.00 C ATOM 514 CG PHE A 37 -14.122 0.413 -16.861 1.00 0.00 C ATOM 515 CD1 PHE A 37 -13.541 1.664 -16.986 1.00 0.00 C ATOM 516 CD2 PHE A 37 -13.795 -0.569 -17.782 1.00 0.00 C ATOM 517 CE1 PHE A 37 -12.650 1.931 -18.009 1.00 0.00 C ATOM 518 CE2 PHE A 37 -12.904 -0.308 -18.806 1.00 0.00 C ATOM 519 CZ PHE A 37 -12.332 0.944 -18.921 1.00 0.00 C ATOM 0 H PHE A 37 -16.330 2.001 -14.181 1.00 0.00 H new ATOM 0 HA PHE A 37 -16.601 1.043 -16.972 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.645 0.433 -14.803 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -15.254 -0.950 -15.690 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -13.787 2.440 -16.276 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -14.241 -1.549 -17.699 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -12.203 2.910 -18.095 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -12.655 -1.083 -19.516 1.00 0.00 H new ATOM 0 HZ PHE A 37 -11.638 1.151 -19.722 1.00 0.00 H new ATOM 529 N ASP A 38 -17.600 -1.300 -15.961 1.00 0.00 N ATOM 530 CA ASP A 38 -18.623 -2.268 -15.582 1.00 0.00 C ATOM 531 C ASP A 38 -18.616 -2.505 -14.075 1.00 0.00 C ATOM 532 O ASP A 38 -17.560 -2.704 -13.474 1.00 0.00 O ATOM 533 CB ASP A 38 -18.404 -3.589 -16.320 1.00 0.00 C ATOM 534 CG ASP A 38 -19.695 -4.354 -16.535 1.00 0.00 C ATOM 535 OD1 ASP A 38 -20.674 -4.079 -15.810 1.00 0.00 O ATOM 536 OD2 ASP A 38 -19.726 -5.228 -17.427 1.00 0.00 O ATOM 0 H ASP A 38 -16.934 -1.640 -16.654 1.00 0.00 H new ATOM 0 HA ASP A 38 -19.595 -1.861 -15.863 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -17.938 -3.390 -17.285 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -17.709 -4.208 -15.753 1.00 0.00 H new ATOM 541 N SER A 39 -19.800 -2.481 -13.472 1.00 0.00 N ATOM 542 CA SER A 39 -19.929 -2.689 -12.034 1.00 0.00 C ATOM 543 C SER A 39 -20.871 -3.852 -11.736 1.00 0.00 C ATOM 544 O SER A 39 -21.805 -4.119 -12.493 1.00 0.00 O ATOM 545 CB SER A 39 -20.442 -1.416 -11.358 1.00 0.00 C ATOM 546 OG SER A 39 -21.830 -1.244 -11.581 1.00 0.00 O ATOM 0 H SER A 39 -20.683 -2.320 -13.956 1.00 0.00 H new ATOM 0 HA SER A 39 -18.943 -2.931 -11.636 1.00 0.00 H new ATOM 0 HB2 SER A 39 -20.246 -1.465 -10.287 1.00 0.00 H new ATOM 0 HB3 SER A 39 -19.899 -0.552 -11.742 1.00 0.00 H new ATOM 0 HG SER A 39 -22.134 -0.425 -11.137 1.00 0.00 H new ATOM 552 N SER A 40 -20.618 -4.541 -10.628 1.00 0.00 N ATOM 553 CA SER A 40 -21.440 -5.677 -10.230 1.00 0.00 C ATOM 554 C SER A 40 -22.742 -5.208 -9.586 1.00 0.00 C ATOM 555 O SER A 40 -23.693 -5.977 -9.452 1.00 0.00 O ATOM 556 CB SER A 40 -20.672 -6.574 -9.258 1.00 0.00 C ATOM 557 OG SER A 40 -20.705 -7.928 -9.678 1.00 0.00 O ATOM 0 H SER A 40 -19.850 -4.332 -9.990 1.00 0.00 H new ATOM 0 HA SER A 40 -21.683 -6.248 -11.126 1.00 0.00 H new ATOM 0 HB2 SER A 40 -19.638 -6.237 -9.187 1.00 0.00 H new ATOM 0 HB3 SER A 40 -21.104 -6.489 -8.261 1.00 0.00 H new ATOM 0 HG SER A 40 -19.796 -8.295 -9.671 1.00 0.00 H new ATOM 668 N PHE A 47 -19.960 -9.622 -5.129 1.00 0.00 N ATOM 669 CA PHE A 47 -18.959 -10.682 -5.115 1.00 0.00 C ATOM 670 C PHE A 47 -18.623 -11.094 -3.685 1.00 0.00 C ATOM 671 O PHE A 47 -18.400 -10.248 -2.820 1.00 0.00 O ATOM 672 CB PHE A 47 -17.690 -10.223 -5.837 1.00 0.00 C ATOM 673 CG PHE A 47 -16.884 -11.354 -6.410 1.00 0.00 C ATOM 674 CD1 PHE A 47 -17.358 -12.083 -7.489 1.00 0.00 C ATOM 675 CD2 PHE A 47 -15.653 -11.689 -5.869 1.00 0.00 C ATOM 676 CE1 PHE A 47 -16.620 -13.124 -8.019 1.00 0.00 C ATOM 677 CE2 PHE A 47 -14.910 -12.729 -6.395 1.00 0.00 C ATOM 678 CZ PHE A 47 -15.394 -13.448 -7.471 1.00 0.00 C ATOM 0 HA PHE A 47 -19.373 -11.546 -5.635 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -17.966 -9.540 -6.641 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -17.068 -9.661 -5.140 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -18.316 -11.834 -7.921 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -15.270 -11.131 -5.027 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -17.001 -13.684 -8.860 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -13.951 -12.980 -5.965 1.00 0.00 H new ATOM 0 HZ PHE A 47 -14.815 -14.262 -7.883 1.00 0.00 H new ATOM 688 N ARG A 48 -18.590 -12.401 -3.445 1.00 0.00 N ATOM 689 CA ARG A 48 -18.284 -12.927 -2.120 1.00 0.00 C ATOM 690 C ARG A 48 -17.136 -13.929 -2.185 1.00 0.00 C ATOM 691 O ARG A 48 -17.055 -14.738 -3.109 1.00 0.00 O ATOM 692 CB ARG A 48 -19.521 -13.591 -1.513 1.00 0.00 C ATOM 693 CG ARG A 48 -20.085 -14.719 -2.362 1.00 0.00 C ATOM 694 CD ARG A 48 -20.449 -15.926 -1.512 1.00 0.00 C ATOM 695 NE ARG A 48 -20.511 -17.153 -2.302 1.00 0.00 N ATOM 696 CZ ARG A 48 -21.157 -18.246 -1.912 1.00 0.00 C ATOM 697 NH1 ARG A 48 -21.794 -18.265 -0.749 1.00 0.00 N ATOM 698 NH2 ARG A 48 -21.168 -19.324 -2.687 1.00 0.00 N ATOM 0 H ARG A 48 -18.771 -13.115 -4.151 1.00 0.00 H new ATOM 0 HA ARG A 48 -17.980 -12.093 -1.487 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -19.267 -13.981 -0.528 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -20.294 -12.836 -1.367 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -20.969 -14.368 -2.895 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -19.353 -15.010 -3.115 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -19.714 -16.044 -0.716 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -21.413 -15.754 -1.033 1.00 0.00 H new ATOM 0 HE ARG A 48 -20.032 -17.171 -3.202 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -21.789 -17.439 -0.151 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -22.289 -19.106 -0.452 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -20.680 -19.313 -3.583 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -21.664 -20.163 -2.387 1.00 0.00 H new ATOM 712 N PHE A 49 -16.248 -13.869 -1.197 1.00 0.00 N ATOM 713 CA PHE A 49 -15.103 -14.770 -1.143 1.00 0.00 C ATOM 714 C PHE A 49 -14.437 -14.722 0.229 1.00 0.00 C ATOM 715 O PHE A 49 -14.828 -13.937 1.095 1.00 0.00 O ATOM 716 CB PHE A 49 -14.088 -14.406 -2.228 1.00 0.00 C ATOM 717 CG PHE A 49 -13.517 -13.025 -2.075 1.00 0.00 C ATOM 718 CD1 PHE A 49 -12.378 -12.812 -1.314 1.00 0.00 C ATOM 719 CD2 PHE A 49 -14.118 -11.940 -2.692 1.00 0.00 C ATOM 720 CE1 PHE A 49 -11.852 -11.542 -1.171 1.00 0.00 C ATOM 721 CE2 PHE A 49 -13.596 -10.668 -2.553 1.00 0.00 C ATOM 722 CZ PHE A 49 -12.460 -10.469 -1.792 1.00 0.00 C ATOM 0 H PHE A 49 -16.300 -13.206 -0.424 1.00 0.00 H new ATOM 0 HA PHE A 49 -15.463 -15.784 -1.318 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -13.274 -15.131 -2.211 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -14.567 -14.487 -3.204 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -11.897 -13.647 -0.828 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -15.005 -12.090 -3.289 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -10.965 -11.389 -0.574 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -14.075 -9.831 -3.038 1.00 0.00 H new ATOM 0 HZ PHE A 49 -12.049 -9.476 -1.683 1.00 0.00 H new ATOM 732 N THR A 50 -13.430 -15.567 0.422 1.00 0.00 N ATOM 733 CA THR A 50 -12.710 -15.622 1.688 1.00 0.00 C ATOM 734 C THR A 50 -11.489 -14.710 1.667 1.00 0.00 C ATOM 735 O THR A 50 -10.566 -14.910 0.878 1.00 0.00 O ATOM 736 CB THR A 50 -12.259 -17.058 2.016 1.00 0.00 C ATOM 737 OG1 THR A 50 -13.398 -17.921 2.107 1.00 0.00 O ATOM 738 CG2 THR A 50 -11.481 -17.097 3.322 1.00 0.00 C ATOM 0 H THR A 50 -13.094 -16.223 -0.283 1.00 0.00 H new ATOM 0 HA THR A 50 -13.401 -15.281 2.459 1.00 0.00 H new ATOM 0 HB THR A 50 -11.607 -17.402 1.213 1.00 0.00 H new ATOM 0 HG1 THR A 50 -13.102 -18.832 2.314 1.00 0.00 H new ATOM 0 HG21 THR A 50 -11.174 -18.121 3.532 1.00 0.00 H new ATOM 0 HG22 THR A 50 -10.598 -16.463 3.239 1.00 0.00 H new ATOM 0 HG23 THR A 50 -12.113 -16.735 4.133 1.00 0.00 H new ATOM 746 N VAL A 51 -11.489 -13.708 2.541 1.00 0.00 N ATOM 747 CA VAL A 51 -10.380 -12.766 2.624 1.00 0.00 C ATOM 748 C VAL A 51 -9.085 -13.474 3.006 1.00 0.00 C ATOM 749 O VAL A 51 -8.887 -13.849 4.161 1.00 0.00 O ATOM 750 CB VAL A 51 -10.664 -11.652 3.649 1.00 0.00 C ATOM 751 CG1 VAL A 51 -9.609 -10.560 3.558 1.00 0.00 C ATOM 752 CG2 VAL A 51 -12.057 -11.078 3.438 1.00 0.00 C ATOM 0 H VAL A 51 -12.245 -13.528 3.201 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.270 -12.320 1.635 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.620 -12.083 4.649 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.827 -9.782 4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.626 -10.985 3.762 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.617 -10.129 2.557 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.242 -10.292 4.170 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.131 -10.662 2.433 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.798 -11.868 3.559 1.00 0.00 H new ATOM 762 N GLY A 52 -8.204 -13.654 2.026 1.00 0.00 N ATOM 763 CA GLY A 52 -6.938 -14.317 2.279 1.00 0.00 C ATOM 764 C GLY A 52 -6.710 -15.502 1.362 1.00 0.00 C ATOM 765 O GLY A 52 -5.577 -15.952 1.188 1.00 0.00 O ATOM 0 H GLY A 52 -8.345 -13.352 1.062 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.125 -13.602 2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.908 -14.653 3.316 1.00 0.00 H new ATOM 769 N ARG A 53 -7.788 -16.009 0.774 1.00 0.00 N ATOM 770 CA ARG A 53 -7.701 -17.151 -0.129 1.00 0.00 C ATOM 771 C ARG A 53 -7.091 -16.742 -1.466 1.00 0.00 C ATOM 772 O ARG A 53 -6.973 -15.555 -1.769 1.00 0.00 O ATOM 773 CB ARG A 53 -9.087 -17.758 -0.353 1.00 0.00 C ATOM 774 CG ARG A 53 -9.453 -18.831 0.660 1.00 0.00 C ATOM 775 CD ARG A 53 -8.767 -20.152 0.345 1.00 0.00 C ATOM 776 NE ARG A 53 -8.612 -20.985 1.534 1.00 0.00 N ATOM 777 CZ ARG A 53 -9.587 -21.731 2.041 1.00 0.00 C ATOM 778 NH1 ARG A 53 -10.781 -21.747 1.465 1.00 0.00 N ATOM 779 NH2 ARG A 53 -9.369 -22.463 3.125 1.00 0.00 N ATOM 0 H ARG A 53 -8.732 -15.647 0.906 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.055 -17.898 0.332 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.833 -16.964 -0.314 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.129 -18.186 -1.354 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.169 -18.501 1.659 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.534 -18.973 0.666 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.347 -20.692 -0.403 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.787 -19.957 -0.091 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.705 -20.995 2.001 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.952 -21.186 0.631 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.528 -22.321 1.856 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.452 -22.454 3.571 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.119 -23.035 3.513 1.00 0.00 H new ATOM 793 N GLY A 54 -6.704 -17.734 -2.263 1.00 0.00 N ATOM 794 CA GLY A 54 -6.110 -17.456 -3.558 1.00 0.00 C ATOM 795 C GLY A 54 -7.148 -17.318 -4.653 1.00 0.00 C ATOM 796 O GLY A 54 -6.811 -17.297 -5.837 1.00 0.00 O ATOM 0 H GLY A 54 -6.791 -18.724 -2.035 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.526 -16.538 -3.497 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.418 -18.257 -3.816 1.00 0.00 H new ATOM 800 N GLU A 55 -8.414 -17.224 -4.259 1.00 0.00 N ATOM 801 CA GLU A 55 -9.505 -17.089 -5.218 1.00 0.00 C ATOM 802 C GLU A 55 -9.624 -15.649 -5.707 1.00 0.00 C ATOM 803 O GLU A 55 -10.268 -15.377 -6.721 1.00 0.00 O ATOM 804 CB GLU A 55 -10.826 -17.537 -4.588 1.00 0.00 C ATOM 805 CG GLU A 55 -10.812 -18.976 -4.102 1.00 0.00 C ATOM 806 CD GLU A 55 -12.205 -19.529 -3.876 1.00 0.00 C ATOM 807 OE1 GLU A 55 -12.732 -19.373 -2.755 1.00 0.00 O ATOM 808 OE2 GLU A 55 -12.769 -20.119 -4.822 1.00 0.00 O ATOM 0 H GLU A 55 -8.710 -17.239 -3.283 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.284 -17.728 -6.073 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.059 -16.881 -3.749 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.626 -17.417 -5.318 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.293 -19.597 -4.832 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.246 -19.036 -3.172 1.00 0.00 H new ATOM 815 N VAL A 56 -8.999 -14.729 -4.979 1.00 0.00 N ATOM 816 CA VAL A 56 -9.034 -13.316 -5.338 1.00 0.00 C ATOM 817 C VAL A 56 -7.627 -12.767 -5.545 1.00 0.00 C ATOM 818 O VAL A 56 -6.642 -13.499 -5.439 1.00 0.00 O ATOM 819 CB VAL A 56 -9.745 -12.480 -4.258 1.00 0.00 C ATOM 820 CG1 VAL A 56 -11.247 -12.716 -4.303 1.00 0.00 C ATOM 821 CG2 VAL A 56 -9.188 -12.805 -2.880 1.00 0.00 C ATOM 0 H VAL A 56 -8.462 -14.937 -4.137 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.592 -13.240 -6.271 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.560 -11.425 -4.460 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.733 -12.117 -3.533 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.631 -12.429 -5.282 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.455 -13.771 -4.127 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.702 -12.205 -2.129 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.341 -13.863 -2.666 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.122 -12.580 -2.856 1.00 0.00 H new ATOM 831 N ILE A 57 -7.540 -11.475 -5.841 1.00 0.00 N ATOM 832 CA ILE A 57 -6.253 -10.827 -6.062 1.00 0.00 C ATOM 833 C ILE A 57 -5.768 -10.123 -4.799 1.00 0.00 C ATOM 834 O ILE A 57 -6.550 -9.853 -3.888 1.00 0.00 O ATOM 835 CB ILE A 57 -6.327 -9.803 -7.210 1.00 0.00 C ATOM 836 CG1 ILE A 57 -7.476 -8.821 -6.973 1.00 0.00 C ATOM 837 CG2 ILE A 57 -6.499 -10.515 -8.544 1.00 0.00 C ATOM 838 CD1 ILE A 57 -7.169 -7.411 -7.428 1.00 0.00 C ATOM 0 H ILE A 57 -8.345 -10.856 -5.933 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.547 -11.612 -6.332 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.393 -9.241 -7.237 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -8.363 -9.178 -7.497 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.718 -8.807 -5.910 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.550 -9.778 -9.346 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.651 -11.179 -8.714 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.419 -11.099 -8.529 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.028 -6.770 -7.229 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.302 -7.034 -6.886 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.956 -7.412 -8.497 1.00 0.00 H new ATOM 850 N ARG A 58 -4.473 -9.828 -4.753 1.00 0.00 N ATOM 851 CA ARG A 58 -3.883 -9.155 -3.602 1.00 0.00 C ATOM 852 C ARG A 58 -4.669 -7.896 -3.247 1.00 0.00 C ATOM 853 O ARG A 58 -4.983 -7.656 -2.082 1.00 0.00 O ATOM 854 CB ARG A 58 -2.424 -8.794 -3.888 1.00 0.00 C ATOM 855 CG ARG A 58 -1.555 -9.995 -4.225 1.00 0.00 C ATOM 856 CD ARG A 58 -1.263 -10.835 -2.992 1.00 0.00 C ATOM 857 NE ARG A 58 -0.118 -11.720 -3.191 1.00 0.00 N ATOM 858 CZ ARG A 58 0.425 -12.448 -2.221 1.00 0.00 C ATOM 859 NH1 ARG A 58 -0.071 -12.398 -0.993 1.00 0.00 N ATOM 860 NH2 ARG A 58 1.466 -13.229 -2.480 1.00 0.00 N ATOM 0 H ARG A 58 -3.812 -10.044 -5.499 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.922 -9.839 -2.754 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.389 -8.087 -4.717 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.007 -8.287 -3.018 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.055 -10.608 -4.974 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.618 -9.655 -4.665 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.071 -10.179 -2.143 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.142 -11.430 -2.742 1.00 0.00 H new ATOM 0 HE ARG A 58 0.287 -11.783 -4.125 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.872 -11.800 -0.790 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.348 -12.958 -0.251 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.850 -13.271 -3.424 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.882 -13.788 -1.735 1.00 0.00 H new ATOM 874 N GLY A 59 -4.984 -7.095 -4.261 1.00 0.00 N ATOM 875 CA GLY A 59 -5.729 -5.871 -4.035 1.00 0.00 C ATOM 876 C GLY A 59 -6.980 -6.098 -3.210 1.00 0.00 C ATOM 877 O GLY A 59 -7.129 -5.531 -2.127 1.00 0.00 O ATOM 0 H GLY A 59 -4.736 -7.272 -5.234 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.089 -5.148 -3.528 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.005 -5.435 -4.995 1.00 0.00 H new ATOM 881 N TRP A 60 -7.882 -6.927 -3.723 1.00 0.00 N ATOM 882 CA TRP A 60 -9.129 -7.226 -3.026 1.00 0.00 C ATOM 883 C TRP A 60 -8.855 -7.722 -1.610 1.00 0.00 C ATOM 884 O TRP A 60 -9.523 -7.313 -0.660 1.00 0.00 O ATOM 885 CB TRP A 60 -9.931 -8.272 -3.800 1.00 0.00 C ATOM 886 CG TRP A 60 -10.605 -7.720 -5.020 1.00 0.00 C ATOM 887 CD1 TRP A 60 -10.822 -6.404 -5.312 1.00 0.00 C ATOM 888 CD2 TRP A 60 -11.152 -8.471 -6.110 1.00 0.00 C ATOM 889 NE1 TRP A 60 -11.470 -6.291 -6.519 1.00 0.00 N ATOM 890 CE2 TRP A 60 -11.684 -7.544 -7.029 1.00 0.00 C ATOM 891 CE3 TRP A 60 -11.243 -9.834 -6.401 1.00 0.00 C ATOM 892 CZ2 TRP A 60 -12.297 -7.940 -8.214 1.00 0.00 C ATOM 893 CZ3 TRP A 60 -11.852 -10.225 -7.578 1.00 0.00 C ATOM 894 CH2 TRP A 60 -12.372 -9.281 -8.474 1.00 0.00 C ATOM 0 H TRP A 60 -7.774 -7.404 -4.618 1.00 0.00 H new ATOM 0 HA TRP A 60 -9.711 -6.307 -2.963 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -9.266 -9.083 -4.097 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -10.685 -8.703 -3.141 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -10.528 -5.574 -4.687 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -11.747 -5.415 -6.963 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -10.844 -10.569 -5.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -12.700 -7.214 -8.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -11.929 -11.277 -7.812 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -12.841 -9.619 -9.387 1.00 0.00 H new ATOM 905 N ASP A 61 -7.871 -8.604 -1.477 1.00 0.00 N ATOM 906 CA ASP A 61 -7.509 -9.155 -0.176 1.00 0.00 C ATOM 907 C ASP A 61 -7.277 -8.041 0.840 1.00 0.00 C ATOM 908 O ASP A 61 -7.994 -7.937 1.835 1.00 0.00 O ATOM 909 CB ASP A 61 -6.255 -10.022 -0.297 1.00 0.00 C ATOM 910 CG ASP A 61 -6.243 -11.164 0.700 1.00 0.00 C ATOM 911 OD1 ASP A 61 -7.092 -11.161 1.615 1.00 0.00 O ATOM 912 OD2 ASP A 61 -5.384 -12.061 0.565 1.00 0.00 O ATOM 0 H ASP A 61 -7.310 -8.953 -2.254 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.336 -9.773 0.173 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.192 -10.425 -1.308 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.372 -9.402 -0.145 1.00 0.00 H new ATOM 917 N GLU A 62 -6.271 -7.212 0.582 1.00 0.00 N ATOM 918 CA GLU A 62 -5.944 -6.107 1.476 1.00 0.00 C ATOM 919 C GLU A 62 -7.112 -5.132 1.585 1.00 0.00 C ATOM 920 O GLU A 62 -7.558 -4.801 2.683 1.00 0.00 O ATOM 921 CB GLU A 62 -4.697 -5.373 0.980 1.00 0.00 C ATOM 922 CG GLU A 62 -3.428 -6.206 1.056 1.00 0.00 C ATOM 923 CD GLU A 62 -2.172 -5.357 1.062 1.00 0.00 C ATOM 924 OE1 GLU A 62 -2.277 -4.143 1.333 1.00 0.00 O ATOM 925 OE2 GLU A 62 -1.083 -5.909 0.796 1.00 0.00 O ATOM 0 H GLU A 62 -5.669 -7.284 -0.238 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.744 -6.520 2.465 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.856 -5.062 -0.053 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.562 -4.466 1.569 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.453 -6.818 1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.396 -6.890 0.208 1.00 0.00 H new ATOM 932 N GLY A 63 -7.603 -4.674 0.437 1.00 0.00 N ATOM 933 CA GLY A 63 -8.714 -3.741 0.426 1.00 0.00 C ATOM 934 C GLY A 63 -9.856 -4.188 1.316 1.00 0.00 C ATOM 935 O GLY A 63 -10.228 -3.489 2.259 1.00 0.00 O ATOM 0 H GLY A 63 -7.251 -4.933 -0.485 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.365 -2.761 0.753 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.077 -3.626 -0.595 1.00 0.00 H new ATOM 939 N VAL A 64 -10.417 -5.355 1.016 1.00 0.00 N ATOM 940 CA VAL A 64 -11.524 -5.895 1.796 1.00 0.00 C ATOM 941 C VAL A 64 -11.166 -5.976 3.275 1.00 0.00 C ATOM 942 O VAL A 64 -11.952 -5.582 4.137 1.00 0.00 O ATOM 943 CB VAL A 64 -11.931 -7.295 1.299 1.00 0.00 C ATOM 944 CG1 VAL A 64 -12.946 -7.922 2.242 1.00 0.00 C ATOM 945 CG2 VAL A 64 -12.482 -7.219 -0.117 1.00 0.00 C ATOM 0 H VAL A 64 -10.123 -5.945 0.238 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.365 -5.214 1.666 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.044 -7.928 1.285 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -13.222 -8.911 1.875 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.510 -8.013 3.237 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -13.834 -7.292 2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -12.764 -8.217 -0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.358 -6.570 -0.132 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.719 -6.815 -0.783 1.00 0.00 H new ATOM 955 N ALA A 65 -9.974 -6.490 3.563 1.00 0.00 N ATOM 956 CA ALA A 65 -9.511 -6.620 4.938 1.00 0.00 C ATOM 957 C ALA A 65 -9.596 -5.288 5.676 1.00 0.00 C ATOM 958 O ALA A 65 -9.872 -5.250 6.874 1.00 0.00 O ATOM 959 CB ALA A 65 -8.085 -7.151 4.966 1.00 0.00 C ATOM 0 H ALA A 65 -9.312 -6.823 2.862 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.162 -7.329 5.449 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.751 -7.243 6.000 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.051 -8.129 4.485 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.430 -6.462 4.433 1.00 0.00 H new ATOM 965 N GLN A 66 -9.357 -4.200 4.951 1.00 0.00 N ATOM 966 CA GLN A 66 -9.406 -2.866 5.539 1.00 0.00 C ATOM 967 C GLN A 66 -10.729 -2.178 5.218 1.00 0.00 C ATOM 968 O GLN A 66 -10.780 -0.961 5.043 1.00 0.00 O ATOM 969 CB GLN A 66 -8.240 -2.018 5.028 1.00 0.00 C ATOM 970 CG GLN A 66 -8.319 -1.706 3.543 1.00 0.00 C ATOM 971 CD GLN A 66 -7.226 -0.759 3.086 1.00 0.00 C ATOM 972 OE1 GLN A 66 -7.256 0.434 3.390 1.00 0.00 O ATOM 973 NE2 GLN A 66 -6.254 -1.286 2.352 1.00 0.00 N ATOM 0 H GLN A 66 -9.128 -4.216 3.957 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.324 -2.970 6.621 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.210 -1.082 5.586 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -7.305 -2.540 5.232 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -8.250 -2.635 2.976 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.291 -1.267 3.319 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.269 -2.280 2.124 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.492 -0.697 2.016 1.00 0.00 H new ATOM 982 N MET A 67 -11.796 -2.966 5.141 1.00 0.00 N ATOM 983 CA MET A 67 -13.120 -2.432 4.842 1.00 0.00 C ATOM 984 C MET A 67 -14.118 -2.809 5.933 1.00 0.00 C ATOM 985 O MET A 67 -13.979 -3.846 6.582 1.00 0.00 O ATOM 986 CB MET A 67 -13.608 -2.949 3.488 1.00 0.00 C ATOM 987 CG MET A 67 -12.884 -2.330 2.304 1.00 0.00 C ATOM 988 SD MET A 67 -13.775 -0.929 1.600 1.00 0.00 S ATOM 989 CE MET A 67 -15.296 -1.721 1.082 1.00 0.00 C ATOM 0 H MET A 67 -11.770 -3.976 5.281 1.00 0.00 H new ATOM 0 HA MET A 67 -13.045 -1.345 4.802 1.00 0.00 H new ATOM 0 HB2 MET A 67 -13.482 -4.031 3.455 1.00 0.00 H new ATOM 0 HB3 MET A 67 -14.676 -2.749 3.395 1.00 0.00 H new ATOM 0 HG2 MET A 67 -11.893 -2.004 2.619 1.00 0.00 H new ATOM 0 HG3 MET A 67 -12.740 -3.088 1.534 1.00 0.00 H new ATOM 0 HE1 MET A 67 -15.520 -1.440 0.053 1.00 0.00 H new ATOM 0 HE2 MET A 67 -15.183 -2.803 1.146 1.00 0.00 H new ATOM 0 HE3 MET A 67 -16.112 -1.402 1.731 1.00 0.00 H new ATOM 999 N SER A 68 -15.122 -1.960 6.130 1.00 0.00 N ATOM 1000 CA SER A 68 -16.140 -2.203 7.145 1.00 0.00 C ATOM 1001 C SER A 68 -17.507 -2.417 6.503 1.00 0.00 C ATOM 1002 O SER A 68 -17.809 -1.847 5.454 1.00 0.00 O ATOM 1003 CB SER A 68 -16.202 -1.030 8.125 1.00 0.00 C ATOM 1004 OG SER A 68 -16.002 0.204 7.458 1.00 0.00 O ATOM 0 H SER A 68 -15.252 -1.098 5.600 1.00 0.00 H new ATOM 0 HA SER A 68 -15.868 -3.108 7.689 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.169 -1.023 8.627 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.443 -1.157 8.897 1.00 0.00 H new ATOM 0 HG SER A 68 -16.611 0.877 7.826 1.00 0.00 H new ATOM 1010 N VAL A 69 -18.331 -3.242 7.141 1.00 0.00 N ATOM 1011 CA VAL A 69 -19.667 -3.532 6.634 1.00 0.00 C ATOM 1012 C VAL A 69 -20.461 -2.250 6.415 1.00 0.00 C ATOM 1013 O VAL A 69 -20.526 -1.389 7.292 1.00 0.00 O ATOM 1014 CB VAL A 69 -20.446 -4.447 7.597 1.00 0.00 C ATOM 1015 CG1 VAL A 69 -21.880 -4.625 7.122 1.00 0.00 C ATOM 1016 CG2 VAL A 69 -19.750 -5.793 7.732 1.00 0.00 C ATOM 0 H VAL A 69 -18.097 -3.721 8.010 1.00 0.00 H new ATOM 0 HA VAL A 69 -19.540 -4.045 5.681 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.470 -3.975 8.579 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -22.415 -5.275 7.815 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -22.373 -3.654 7.081 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -21.881 -5.075 6.129 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -20.314 -6.427 8.416 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -19.694 -6.273 6.755 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -18.743 -5.644 8.122 1.00 0.00 H new ATOM 1026 N GLY A 70 -21.066 -2.129 5.237 1.00 0.00 N ATOM 1027 CA GLY A 70 -21.850 -0.948 4.923 1.00 0.00 C ATOM 1028 C GLY A 70 -20.985 0.235 4.534 1.00 0.00 C ATOM 1029 O GLY A 70 -21.485 1.346 4.361 1.00 0.00 O ATOM 0 H GLY A 70 -21.027 -2.827 4.495 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -22.535 -1.177 4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -22.460 -0.680 5.786 1.00 0.00 H new ATOM 1033 N GLN A 71 -19.685 -0.004 4.397 1.00 0.00 N ATOM 1034 CA GLN A 71 -18.749 1.052 4.028 1.00 0.00 C ATOM 1035 C GLN A 71 -18.372 0.954 2.554 1.00 0.00 C ATOM 1036 O GLN A 71 -18.165 -0.140 2.027 1.00 0.00 O ATOM 1037 CB GLN A 71 -17.491 0.973 4.895 1.00 0.00 C ATOM 1038 CG GLN A 71 -16.682 2.260 4.910 1.00 0.00 C ATOM 1039 CD GLN A 71 -15.215 2.030 4.602 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -14.839 2.215 3.342 1.00 0.00 O flip ATOM 1041 NE2 GLN A 71 -14.429 1.691 5.486 1.00 0.00 N flip ATOM 0 H GLN A 71 -19.256 -0.919 4.536 1.00 0.00 H new ATOM 0 HA GLN A 71 -19.238 2.012 4.196 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -17.778 0.722 5.916 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -16.860 0.161 4.533 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -17.098 2.955 4.181 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -16.775 2.732 5.888 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -14.761 1.560 6.441 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.445 1.541 5.263 1.00 0.00 H new ATOM 1050 N ARG A 72 -18.285 2.104 1.893 1.00 0.00 N ATOM 1051 CA ARG A 72 -17.934 2.147 0.478 1.00 0.00 C ATOM 1052 C ARG A 72 -16.706 3.023 0.250 1.00 0.00 C ATOM 1053 O ARG A 72 -16.612 4.129 0.782 1.00 0.00 O ATOM 1054 CB ARG A 72 -19.111 2.675 -0.345 1.00 0.00 C ATOM 1055 CG ARG A 72 -18.773 2.911 -1.808 1.00 0.00 C ATOM 1056 CD ARG A 72 -19.992 2.722 -2.698 1.00 0.00 C ATOM 1057 NE ARG A 72 -20.956 3.807 -2.543 1.00 0.00 N ATOM 1058 CZ ARG A 72 -20.829 4.993 -3.128 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -19.784 5.245 -3.903 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -21.750 5.930 -2.938 1.00 0.00 N ATOM 0 H ARG A 72 -18.453 3.018 2.314 1.00 0.00 H new ATOM 0 HA ARG A 72 -17.700 1.132 0.155 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -19.936 1.965 -0.281 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -19.460 3.610 0.094 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -18.382 3.921 -1.934 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -17.986 2.223 -2.116 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -19.675 2.665 -3.739 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -20.472 1.773 -2.458 1.00 0.00 H new ATOM 0 HE ARG A 72 -21.772 3.646 -1.953 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -19.075 4.527 -4.052 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -19.689 6.157 -4.351 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -22.556 5.740 -2.342 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -21.652 6.840 -3.388 1.00 0.00 H new ATOM 1074 N ALA A 73 -15.767 2.521 -0.546 1.00 0.00 N ATOM 1075 CA ALA A 73 -14.546 3.258 -0.846 1.00 0.00 C ATOM 1076 C ALA A 73 -13.958 2.824 -2.185 1.00 0.00 C ATOM 1077 O ALA A 73 -14.354 1.803 -2.747 1.00 0.00 O ATOM 1078 CB ALA A 73 -13.526 3.066 0.267 1.00 0.00 C ATOM 0 H ALA A 73 -15.829 1.607 -0.994 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.798 4.316 -0.915 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.619 3.622 0.029 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.940 3.431 1.207 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.287 2.007 0.363 1.00 0.00 H new ATOM 1084 N LYS A 74 -13.012 3.607 -2.692 1.00 0.00 N ATOM 1085 CA LYS A 74 -12.369 3.305 -3.965 1.00 0.00 C ATOM 1086 C LYS A 74 -11.086 2.507 -3.750 1.00 0.00 C ATOM 1087 O LYS A 74 -10.160 2.969 -3.082 1.00 0.00 O ATOM 1088 CB LYS A 74 -12.057 4.597 -4.722 1.00 0.00 C ATOM 1089 CG LYS A 74 -13.281 5.457 -4.987 1.00 0.00 C ATOM 1090 CD LYS A 74 -12.971 6.583 -5.959 1.00 0.00 C ATOM 1091 CE LYS A 74 -13.116 6.128 -7.403 1.00 0.00 C ATOM 1092 NZ LYS A 74 -14.544 6.038 -7.816 1.00 0.00 N ATOM 0 H LYS A 74 -12.673 4.456 -2.240 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.057 2.702 -4.557 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.332 5.177 -4.151 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.586 4.347 -5.673 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.082 4.837 -5.390 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.643 5.875 -4.048 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.641 7.422 -5.772 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.956 6.942 -5.790 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.592 6.825 -8.057 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.640 5.155 -7.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.720 5.114 -8.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.154 6.143 -6.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.757 6.795 -8.497 1.00 0.00 H new ATOM 1106 N LEU A 75 -11.038 1.309 -4.321 1.00 0.00 N ATOM 1107 CA LEU A 75 -9.867 0.447 -4.193 1.00 0.00 C ATOM 1108 C LEU A 75 -8.905 0.660 -5.357 1.00 0.00 C ATOM 1109 O LEU A 75 -9.060 0.064 -6.423 1.00 0.00 O ATOM 1110 CB LEU A 75 -10.294 -1.020 -4.132 1.00 0.00 C ATOM 1111 CG LEU A 75 -9.523 -1.904 -3.151 1.00 0.00 C ATOM 1112 CD1 LEU A 75 -10.323 -3.152 -2.813 1.00 0.00 C ATOM 1113 CD2 LEU A 75 -8.164 -2.278 -3.725 1.00 0.00 C ATOM 0 H LEU A 75 -11.795 0.912 -4.877 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.353 0.708 -3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.352 -1.059 -3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -10.196 -1.448 -5.130 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.364 -1.340 -2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.758 -3.768 -2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.271 -2.864 -2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -10.514 -3.719 -3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.629 -2.907 -3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.301 -2.822 -4.659 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.587 -1.373 -3.914 1.00 0.00 H new ATOM 1125 N VAL A 76 -7.908 1.514 -5.145 1.00 0.00 N ATOM 1126 CA VAL A 76 -6.918 1.803 -6.175 1.00 0.00 C ATOM 1127 C VAL A 76 -5.639 1.004 -5.949 1.00 0.00 C ATOM 1128 O VAL A 76 -4.832 1.338 -5.081 1.00 0.00 O ATOM 1129 CB VAL A 76 -6.571 3.304 -6.215 1.00 0.00 C ATOM 1130 CG1 VAL A 76 -6.224 3.809 -4.823 1.00 0.00 C ATOM 1131 CG2 VAL A 76 -5.428 3.561 -7.185 1.00 0.00 C ATOM 0 H VAL A 76 -7.765 2.017 -4.269 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.360 1.514 -7.128 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.445 3.852 -6.567 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.982 4.871 -4.871 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.076 3.661 -4.159 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.365 3.258 -4.440 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.196 4.626 -7.200 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.548 3.003 -6.866 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.720 3.239 -8.185 1.00 0.00 H new ATOM 1141 N CYS A 77 -5.462 -0.052 -6.734 1.00 0.00 N ATOM 1142 CA CYS A 77 -4.281 -0.901 -6.619 1.00 0.00 C ATOM 1143 C CYS A 77 -3.594 -1.062 -7.971 1.00 0.00 C ATOM 1144 O CYS A 77 -4.186 -0.791 -9.016 1.00 0.00 O ATOM 1145 CB CYS A 77 -4.665 -2.272 -6.062 1.00 0.00 C ATOM 1146 SG CYS A 77 -5.768 -3.222 -7.134 1.00 0.00 S ATOM 0 H CYS A 77 -6.121 -0.341 -7.457 1.00 0.00 H new ATOM 0 HA CYS A 77 -3.584 -0.421 -5.932 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -3.757 -2.850 -5.890 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -5.145 -2.137 -5.093 1.00 0.00 H new ATOM 0 HG CYS A 77 -5.548 -4.492 -6.966 1.00 0.00 H new ATOM 1152 N SER A 78 -2.340 -1.503 -7.944 1.00 0.00 N ATOM 1153 CA SER A 78 -1.570 -1.696 -9.167 1.00 0.00 C ATOM 1154 C SER A 78 -1.913 -3.031 -9.820 1.00 0.00 C ATOM 1155 O SER A 78 -2.540 -3.903 -9.219 1.00 0.00 O ATOM 1156 CB SER A 78 -0.072 -1.632 -8.866 1.00 0.00 C ATOM 1157 OG SER A 78 0.166 -1.545 -7.472 1.00 0.00 O ATOM 0 H SER A 78 -1.836 -1.733 -7.088 1.00 0.00 H new ATOM 0 HA SER A 78 -1.829 -0.896 -9.860 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.421 -2.518 -9.267 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.366 -0.769 -9.367 1.00 0.00 H new ATOM 0 HG SER A 78 -0.004 -2.416 -7.056 1.00 0.00 H new ATOM 1163 N PRO A 79 -1.492 -3.196 -11.083 1.00 0.00 N ATOM 1164 CA PRO A 79 -1.741 -4.422 -11.847 1.00 0.00 C ATOM 1165 C PRO A 79 -0.939 -5.607 -11.320 1.00 0.00 C ATOM 1166 O PRO A 79 -1.351 -6.759 -11.457 1.00 0.00 O ATOM 1167 CB PRO A 79 -1.289 -4.056 -13.263 1.00 0.00 C ATOM 1168 CG PRO A 79 -0.287 -2.970 -13.071 1.00 0.00 C ATOM 1169 CD PRO A 79 -0.738 -2.199 -11.862 1.00 0.00 C ATOM 0 HA PRO A 79 -2.783 -4.736 -11.786 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -0.851 -4.914 -13.773 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.128 -3.718 -13.872 1.00 0.00 H new ATOM 0 HG2 PRO A 79 0.711 -3.382 -12.921 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -0.237 -2.325 -13.949 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.108 -1.805 -11.298 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -1.362 -1.349 -12.137 1.00 0.00 H new ATOM 1177 N ASP A 80 0.209 -5.317 -10.718 1.00 0.00 N ATOM 1178 CA ASP A 80 1.069 -6.359 -10.169 1.00 0.00 C ATOM 1179 C ASP A 80 0.359 -7.117 -9.052 1.00 0.00 C ATOM 1180 O ASP A 80 0.677 -8.274 -8.774 1.00 0.00 O ATOM 1181 CB ASP A 80 2.370 -5.751 -9.643 1.00 0.00 C ATOM 1182 CG ASP A 80 3.453 -6.791 -9.435 1.00 0.00 C ATOM 1183 OD1 ASP A 80 3.696 -7.590 -10.365 1.00 0.00 O ATOM 1184 OD2 ASP A 80 4.059 -6.807 -8.343 1.00 0.00 O ATOM 0 H ASP A 80 0.566 -4.369 -10.598 1.00 0.00 H new ATOM 0 HA ASP A 80 1.303 -7.062 -10.969 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.725 -4.997 -10.345 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.174 -5.241 -8.700 1.00 0.00 H new ATOM 1189 N TYR A 81 -0.603 -6.458 -8.415 1.00 0.00 N ATOM 1190 CA TYR A 81 -1.355 -7.069 -7.326 1.00 0.00 C ATOM 1191 C TYR A 81 -2.789 -7.368 -7.755 1.00 0.00 C ATOM 1192 O TYR A 81 -3.663 -7.600 -6.921 1.00 0.00 O ATOM 1193 CB TYR A 81 -1.358 -6.151 -6.103 1.00 0.00 C ATOM 1194 CG TYR A 81 -0.205 -6.399 -5.157 1.00 0.00 C ATOM 1195 CD1 TYR A 81 1.063 -6.696 -5.639 1.00 0.00 C ATOM 1196 CD2 TYR A 81 -0.384 -6.334 -3.780 1.00 0.00 C ATOM 1197 CE1 TYR A 81 2.119 -6.924 -4.779 1.00 0.00 C ATOM 1198 CE2 TYR A 81 0.667 -6.559 -2.912 1.00 0.00 C ATOM 1199 CZ TYR A 81 1.916 -6.855 -3.416 1.00 0.00 C ATOM 1200 OH TYR A 81 2.966 -7.080 -2.555 1.00 0.00 O ATOM 0 H TYR A 81 -0.880 -5.501 -8.634 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.869 -8.009 -7.065 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.326 -5.114 -6.437 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.295 -6.283 -5.562 1.00 0.00 H new ATOM 0 HD1 TYR A 81 1.226 -6.750 -6.705 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.361 -6.104 -3.382 1.00 0.00 H new ATOM 0 HE1 TYR A 81 3.098 -7.155 -5.171 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.511 -6.503 -1.845 1.00 0.00 H new ATOM 0 HH TYR A 81 2.655 -6.992 -1.630 1.00 0.00 H new ATOM 1210 N ALA A 82 -3.021 -7.361 -9.064 1.00 0.00 N ATOM 1211 CA ALA A 82 -4.347 -7.634 -9.606 1.00 0.00 C ATOM 1212 C ALA A 82 -4.254 -8.280 -10.984 1.00 0.00 C ATOM 1213 O ALA A 82 -3.186 -8.730 -11.398 1.00 0.00 O ATOM 1214 CB ALA A 82 -5.162 -6.351 -9.676 1.00 0.00 C ATOM 0 H ALA A 82 -2.308 -7.169 -9.768 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.849 -8.335 -8.939 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.150 -6.569 -10.082 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.266 -5.931 -8.676 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.655 -5.633 -10.320 1.00 0.00 H new ATOM 1220 N TYR A 83 -5.379 -8.323 -11.688 1.00 0.00 N ATOM 1221 CA TYR A 83 -5.426 -8.918 -13.019 1.00 0.00 C ATOM 1222 C TYR A 83 -5.161 -7.868 -14.094 1.00 0.00 C ATOM 1223 O TYR A 83 -5.439 -8.086 -15.272 1.00 0.00 O ATOM 1224 CB TYR A 83 -6.785 -9.578 -13.258 1.00 0.00 C ATOM 1225 CG TYR A 83 -7.957 -8.715 -12.850 1.00 0.00 C ATOM 1226 CD1 TYR A 83 -8.195 -7.493 -13.467 1.00 0.00 C ATOM 1227 CD2 TYR A 83 -8.828 -9.123 -11.847 1.00 0.00 C ATOM 1228 CE1 TYR A 83 -9.264 -6.701 -13.096 1.00 0.00 C ATOM 1229 CE2 TYR A 83 -9.901 -8.338 -11.470 1.00 0.00 C ATOM 1230 CZ TYR A 83 -10.115 -7.128 -12.097 1.00 0.00 C ATOM 1231 OH TYR A 83 -11.182 -6.343 -11.726 1.00 0.00 O ATOM 0 H TYR A 83 -6.271 -7.953 -11.360 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.646 -9.677 -13.078 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.878 -9.826 -14.315 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.826 -10.517 -12.705 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.532 -7.156 -14.251 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -8.664 -10.070 -11.354 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.433 -5.753 -13.585 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -10.569 -8.670 -10.689 1.00 0.00 H new ATOM 0 HH TYR A 83 -10.981 -5.404 -11.922 1.00 0.00 H new ATOM 1241 N GLY A 84 -4.619 -6.727 -13.678 1.00 0.00 N ATOM 1242 CA GLY A 84 -4.324 -5.660 -14.616 1.00 0.00 C ATOM 1243 C GLY A 84 -3.180 -6.007 -15.547 1.00 0.00 C ATOM 1244 O GLY A 84 -3.072 -5.455 -16.642 1.00 0.00 O ATOM 0 H GLY A 84 -4.379 -6.523 -12.708 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.215 -5.442 -15.205 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -4.077 -4.753 -14.064 1.00 0.00 H new ATOM 1248 N SER A 85 -2.321 -6.923 -15.112 1.00 0.00 N ATOM 1249 CA SER A 85 -1.175 -7.339 -15.912 1.00 0.00 C ATOM 1250 C SER A 85 -1.600 -7.661 -17.342 1.00 0.00 C ATOM 1251 O SER A 85 -1.292 -6.918 -18.274 1.00 0.00 O ATOM 1252 CB SER A 85 -0.501 -8.559 -15.281 1.00 0.00 C ATOM 1253 OG SER A 85 0.278 -9.261 -16.235 1.00 0.00 O ATOM 0 H SER A 85 -2.397 -7.392 -14.209 1.00 0.00 H new ATOM 0 HA SER A 85 -0.463 -6.514 -15.939 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.132 -8.241 -14.453 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.259 -9.223 -14.866 1.00 0.00 H new ATOM 0 HG SER A 85 0.806 -8.623 -16.759 1.00 0.00 H new ATOM 1259 N ARG A 86 -2.308 -8.773 -17.506 1.00 0.00 N ATOM 1260 CA ARG A 86 -2.774 -9.195 -18.822 1.00 0.00 C ATOM 1261 C ARG A 86 -3.837 -8.239 -19.354 1.00 0.00 C ATOM 1262 O ARG A 86 -3.674 -7.642 -20.417 1.00 0.00 O ATOM 1263 CB ARG A 86 -3.338 -10.615 -18.755 1.00 0.00 C ATOM 1264 CG ARG A 86 -4.118 -11.020 -19.995 1.00 0.00 C ATOM 1265 CD ARG A 86 -3.310 -10.789 -21.262 1.00 0.00 C ATOM 1266 NE ARG A 86 -1.992 -11.414 -21.191 1.00 0.00 N ATOM 1267 CZ ARG A 86 -1.031 -11.205 -22.084 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -1.240 -10.391 -23.110 1.00 0.00 N ATOM 1269 NH2 ARG A 86 0.143 -11.810 -21.952 1.00 0.00 N ATOM 0 H ARG A 86 -2.572 -9.398 -16.745 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.923 -9.181 -19.503 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.517 -11.316 -18.608 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.988 -10.698 -17.884 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.394 -12.072 -19.925 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.046 -10.450 -20.045 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.855 -11.188 -22.118 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.195 -9.718 -21.429 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.799 -12.045 -20.413 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.140 -9.924 -23.215 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.500 -10.232 -23.794 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.308 -12.436 -21.164 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.880 -11.649 -22.638 1.00 0.00 H new ATOM 1283 N GLY A 87 -4.928 -8.099 -18.606 1.00 0.00 N ATOM 1284 CA GLY A 87 -6.002 -7.215 -19.020 1.00 0.00 C ATOM 1285 C GLY A 87 -6.669 -7.673 -20.302 1.00 0.00 C ATOM 1286 O GLY A 87 -6.477 -8.808 -20.738 1.00 0.00 O ATOM 0 H GLY A 87 -5.087 -8.582 -17.722 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.747 -7.158 -18.227 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.607 -6.209 -19.159 1.00 0.00 H new ATOM 1290 N HIS A 88 -7.456 -6.789 -20.906 1.00 0.00 N ATOM 1291 CA HIS A 88 -8.156 -7.109 -22.145 1.00 0.00 C ATOM 1292 C HIS A 88 -8.422 -5.847 -22.960 1.00 0.00 C ATOM 1293 O HIS A 88 -8.461 -4.735 -22.433 1.00 0.00 O ATOM 1294 CB HIS A 88 -9.473 -7.823 -21.843 1.00 0.00 C ATOM 1295 CG HIS A 88 -9.337 -9.310 -21.732 1.00 0.00 C ATOM 1296 ND1 HIS A 88 -9.103 -10.127 -22.817 1.00 0.00 N ATOM 1297 CD2 HIS A 88 -9.402 -10.127 -20.654 1.00 0.00 C ATOM 1298 CE1 HIS A 88 -9.031 -11.383 -22.413 1.00 0.00 C ATOM 1299 NE2 HIS A 88 -9.209 -11.410 -21.104 1.00 0.00 N ATOM 0 H HIS A 88 -7.625 -5.845 -20.558 1.00 0.00 H new ATOM 0 HA HIS A 88 -7.520 -7.772 -22.732 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -9.882 -7.433 -20.911 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -10.192 -7.590 -22.629 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -9.574 -9.826 -19.631 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -8.856 -12.241 -23.045 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -9.204 -12.248 -20.522 1.00 0.00 H new ATOM 1307 N PRO A 89 -8.611 -6.021 -24.277 1.00 0.00 N ATOM 1308 CA PRO A 89 -8.877 -4.907 -25.192 1.00 0.00 C ATOM 1309 C PRO A 89 -10.257 -4.296 -24.976 1.00 0.00 C ATOM 1310 O PRO A 89 -11.277 -4.956 -25.174 1.00 0.00 O ATOM 1311 CB PRO A 89 -8.790 -5.557 -26.576 1.00 0.00 C ATOM 1312 CG PRO A 89 -9.112 -6.992 -26.341 1.00 0.00 C ATOM 1313 CD PRO A 89 -8.579 -7.318 -24.973 1.00 0.00 C ATOM 0 HA PRO A 89 -8.177 -4.084 -25.047 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.495 -5.102 -27.272 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.796 -5.440 -27.007 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -10.187 -7.164 -26.392 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.652 -7.625 -27.100 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -9.196 -8.061 -24.468 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.568 -7.723 -25.021 1.00 0.00 H new ATOM 1321 N GLY A 90 -10.282 -3.030 -24.569 1.00 0.00 N ATOM 1322 CA GLY A 90 -11.543 -2.352 -24.333 1.00 0.00 C ATOM 1323 C GLY A 90 -12.113 -2.648 -22.961 1.00 0.00 C ATOM 1324 O GLY A 90 -13.235 -2.249 -22.647 1.00 0.00 O ATOM 0 H GLY A 90 -9.452 -2.463 -24.399 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.399 -1.277 -24.439 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -12.262 -2.654 -25.094 1.00 0.00 H new ATOM 1328 N VAL A 91 -11.340 -3.353 -22.140 1.00 0.00 N ATOM 1329 CA VAL A 91 -11.775 -3.703 -20.793 1.00 0.00 C ATOM 1330 C VAL A 91 -10.724 -3.318 -19.758 1.00 0.00 C ATOM 1331 O VAL A 91 -10.991 -2.529 -18.852 1.00 0.00 O ATOM 1332 CB VAL A 91 -12.069 -5.211 -20.673 1.00 0.00 C ATOM 1333 CG1 VAL A 91 -12.708 -5.525 -19.329 1.00 0.00 C ATOM 1334 CG2 VAL A 91 -12.960 -5.672 -21.816 1.00 0.00 C ATOM 0 H VAL A 91 -10.410 -3.693 -22.384 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.691 -3.144 -20.601 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.126 -5.754 -20.736 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.908 -6.594 -19.262 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -12.031 -5.232 -18.527 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.644 -4.974 -19.233 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -13.158 -6.739 -21.716 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.902 -5.124 -21.787 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.460 -5.483 -22.766 1.00 0.00 H new ATOM 1344 N ILE A 92 -9.528 -3.880 -19.900 1.00 0.00 N ATOM 1345 CA ILE A 92 -8.436 -3.594 -18.978 1.00 0.00 C ATOM 1346 C ILE A 92 -7.140 -3.314 -19.732 1.00 0.00 C ATOM 1347 O ILE A 92 -6.765 -4.031 -20.659 1.00 0.00 O ATOM 1348 CB ILE A 92 -8.206 -4.759 -17.999 1.00 0.00 C ATOM 1349 CG1 ILE A 92 -9.467 -5.016 -17.171 1.00 0.00 C ATOM 1350 CG2 ILE A 92 -7.021 -4.462 -17.091 1.00 0.00 C ATOM 1351 CD1 ILE A 92 -9.354 -6.211 -16.252 1.00 0.00 C ATOM 0 H ILE A 92 -9.291 -4.536 -20.644 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.724 -2.708 -18.413 1.00 0.00 H new ATOM 0 HB ILE A 92 -7.983 -5.658 -18.574 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.688 -4.130 -16.576 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -10.310 -5.165 -17.845 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.871 -5.295 -16.404 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.125 -4.324 -17.696 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.218 -3.554 -16.522 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -10.284 -6.332 -15.697 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -9.164 -7.107 -16.842 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.532 -6.056 -15.553 1.00 0.00 H new ATOM 1363 N PRO A 93 -6.437 -2.246 -19.324 1.00 0.00 N ATOM 1364 CA PRO A 93 -5.171 -1.848 -19.946 1.00 0.00 C ATOM 1365 C PRO A 93 -4.043 -2.829 -19.643 1.00 0.00 C ATOM 1366 O PRO A 93 -4.101 -3.603 -18.687 1.00 0.00 O ATOM 1367 CB PRO A 93 -4.878 -0.485 -19.313 1.00 0.00 C ATOM 1368 CG PRO A 93 -5.592 -0.513 -18.006 1.00 0.00 C ATOM 1369 CD PRO A 93 -6.825 -1.346 -18.225 1.00 0.00 C ATOM 0 HA PRO A 93 -5.241 -1.822 -21.033 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.807 -0.334 -19.176 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.237 0.329 -19.943 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.963 -0.944 -17.227 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.854 0.494 -17.683 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.099 -1.902 -17.328 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.684 -0.730 -18.494 1.00 0.00 H new ATOM 1377 N PRO A 94 -2.991 -2.798 -20.475 1.00 0.00 N ATOM 1378 CA PRO A 94 -1.829 -3.678 -20.315 1.00 0.00 C ATOM 1379 C PRO A 94 -0.995 -3.320 -19.090 1.00 0.00 C ATOM 1380 O PRO A 94 -0.225 -2.361 -19.110 1.00 0.00 O ATOM 1381 CB PRO A 94 -1.026 -3.440 -21.596 1.00 0.00 C ATOM 1382 CG PRO A 94 -1.417 -2.073 -22.041 1.00 0.00 C ATOM 1383 CD PRO A 94 -2.855 -1.901 -21.635 1.00 0.00 C ATOM 0 HA PRO A 94 -2.122 -4.717 -20.165 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.046 -3.504 -21.409 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.262 -4.186 -22.355 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.787 -1.316 -21.575 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.300 -1.965 -23.119 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -3.077 -0.867 -21.372 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.536 -2.179 -22.440 1.00 0.00 H new ATOM 1391 N ASN A 95 -1.155 -4.097 -18.023 1.00 0.00 N ATOM 1392 CA ASN A 95 -0.415 -3.861 -16.789 1.00 0.00 C ATOM 1393 C ASN A 95 -0.495 -2.394 -16.378 1.00 0.00 C ATOM 1394 O ASN A 95 0.518 -1.698 -16.325 1.00 0.00 O ATOM 1395 CB ASN A 95 1.047 -4.276 -16.958 1.00 0.00 C ATOM 1396 CG ASN A 95 1.208 -5.465 -17.886 1.00 0.00 C ATOM 1397 OD1 ASN A 95 1.257 -6.612 -17.441 1.00 0.00 O ATOM 1398 ND2 ASN A 95 1.289 -5.196 -19.184 1.00 0.00 N ATOM 0 H ASN A 95 -1.790 -4.895 -17.988 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.868 -4.465 -16.003 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.618 -3.434 -17.349 1.00 0.00 H new ATOM 0 HB3 ASN A 95 1.467 -4.521 -15.983 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.396 -5.955 -19.856 1.00 0.00 H new ATOM 0 HD22 ASN A 95 1.244 -4.230 -19.508 1.00 0.00 H new ATOM 1405 N ALA A 96 -1.707 -1.931 -16.089 1.00 0.00 N ATOM 1406 CA ALA A 96 -1.919 -0.548 -15.680 1.00 0.00 C ATOM 1407 C ALA A 96 -2.745 -0.474 -14.401 1.00 0.00 C ATOM 1408 O ALA A 96 -3.690 -1.242 -14.213 1.00 0.00 O ATOM 1409 CB ALA A 96 -2.599 0.233 -16.795 1.00 0.00 C ATOM 0 H ALA A 96 -2.557 -2.494 -16.131 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.945 -0.101 -15.479 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -2.751 1.264 -16.476 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.971 0.217 -17.686 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.563 -0.222 -17.023 1.00 0.00 H new ATOM 1415 N THR A 97 -2.383 0.455 -13.521 1.00 0.00 N ATOM 1416 CA THR A 97 -3.089 0.628 -12.258 1.00 0.00 C ATOM 1417 C THR A 97 -4.578 0.858 -12.487 1.00 0.00 C ATOM 1418 O THR A 97 -4.973 1.545 -13.431 1.00 0.00 O ATOM 1419 CB THR A 97 -2.517 1.809 -11.452 1.00 0.00 C ATOM 1420 OG1 THR A 97 -1.086 1.762 -11.462 1.00 0.00 O ATOM 1421 CG2 THR A 97 -3.020 1.779 -10.016 1.00 0.00 C ATOM 0 H THR A 97 -1.605 1.099 -13.660 1.00 0.00 H new ATOM 0 HA THR A 97 -2.950 -0.292 -11.690 1.00 0.00 H new ATOM 0 HB THR A 97 -2.853 2.735 -11.919 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.730 2.517 -10.949 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.602 2.623 -9.467 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.108 1.845 -10.010 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.710 0.848 -9.541 1.00 0.00 H new ATOM 1429 N LEU A 98 -5.402 0.281 -11.620 1.00 0.00 N ATOM 1430 CA LEU A 98 -6.850 0.424 -11.728 1.00 0.00 C ATOM 1431 C LEU A 98 -7.470 0.725 -10.367 1.00 0.00 C ATOM 1432 O LEU A 98 -6.895 0.408 -9.326 1.00 0.00 O ATOM 1433 CB LEU A 98 -7.466 -0.849 -12.311 1.00 0.00 C ATOM 1434 CG LEU A 98 -7.271 -1.063 -13.812 1.00 0.00 C ATOM 1435 CD1 LEU A 98 -6.388 -2.274 -14.069 1.00 0.00 C ATOM 1436 CD2 LEU A 98 -8.615 -1.223 -14.507 1.00 0.00 C ATOM 0 H LEU A 98 -5.092 -0.291 -10.834 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.059 1.260 -12.395 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.046 -1.706 -11.785 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.536 -0.840 -12.102 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.774 -0.184 -14.223 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.261 -2.410 -15.143 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.414 -2.119 -13.605 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.855 -3.162 -13.644 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.457 -1.374 -15.575 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.139 -2.084 -14.092 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.214 -0.325 -14.353 1.00 0.00 H new ATOM 1448 N THR A 99 -8.650 1.338 -10.383 1.00 0.00 N ATOM 1449 CA THR A 99 -9.349 1.682 -9.152 1.00 0.00 C ATOM 1450 C THR A 99 -10.770 1.130 -9.154 1.00 0.00 C ATOM 1451 O THR A 99 -11.663 1.690 -9.790 1.00 0.00 O ATOM 1452 CB THR A 99 -9.403 3.207 -8.943 1.00 0.00 C ATOM 1453 OG1 THR A 99 -8.092 3.767 -9.075 1.00 0.00 O ATOM 1454 CG2 THR A 99 -9.969 3.546 -7.572 1.00 0.00 C ATOM 0 H THR A 99 -9.141 1.606 -11.236 1.00 0.00 H new ATOM 0 HA THR A 99 -8.788 1.231 -8.334 1.00 0.00 H new ATOM 0 HB THR A 99 -10.057 3.632 -9.704 1.00 0.00 H new ATOM 0 HG1 THR A 99 -8.136 4.737 -8.942 1.00 0.00 H new ATOM 0 HG21 THR A 99 -9.997 4.629 -7.448 1.00 0.00 H new ATOM 0 HG22 THR A 99 -10.979 3.144 -7.486 1.00 0.00 H new ATOM 0 HG23 THR A 99 -9.337 3.108 -6.799 1.00 0.00 H new ATOM 1462 N PHE A 100 -10.974 0.030 -8.438 1.00 0.00 N ATOM 1463 CA PHE A 100 -12.287 -0.598 -8.358 1.00 0.00 C ATOM 1464 C PHE A 100 -12.986 -0.233 -7.051 1.00 0.00 C ATOM 1465 O PHE A 100 -12.497 -0.543 -5.965 1.00 0.00 O ATOM 1466 CB PHE A 100 -12.157 -2.119 -8.471 1.00 0.00 C ATOM 1467 CG PHE A 100 -11.475 -2.569 -9.731 1.00 0.00 C ATOM 1468 CD1 PHE A 100 -10.093 -2.554 -9.830 1.00 0.00 C ATOM 1469 CD2 PHE A 100 -12.215 -3.008 -10.817 1.00 0.00 C ATOM 1470 CE1 PHE A 100 -9.462 -2.968 -10.988 1.00 0.00 C ATOM 1471 CE2 PHE A 100 -11.590 -3.424 -11.977 1.00 0.00 C ATOM 1472 CZ PHE A 100 -10.211 -3.403 -12.063 1.00 0.00 C ATOM 0 H PHE A 100 -10.246 -0.445 -7.904 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.889 -0.229 -9.188 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -11.600 -2.493 -7.612 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -13.150 -2.565 -8.426 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -9.502 -2.215 -8.992 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -13.293 -3.025 -10.756 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.384 -2.951 -11.052 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -12.179 -3.765 -12.816 1.00 0.00 H new ATOM 0 HZ PHE A 100 -9.720 -3.726 -12.969 1.00 0.00 H new ATOM 1482 N ASP A 101 -14.133 0.429 -7.166 1.00 0.00 N ATOM 1483 CA ASP A 101 -14.900 0.837 -5.995 1.00 0.00 C ATOM 1484 C ASP A 101 -15.510 -0.374 -5.296 1.00 0.00 C ATOM 1485 O ASP A 101 -16.330 -1.089 -5.872 1.00 0.00 O ATOM 1486 CB ASP A 101 -16.003 1.817 -6.398 1.00 0.00 C ATOM 1487 CG ASP A 101 -17.250 1.667 -5.549 1.00 0.00 C ATOM 1488 OD1 ASP A 101 -17.202 2.030 -4.355 1.00 0.00 O ATOM 1489 OD2 ASP A 101 -18.273 1.184 -6.078 1.00 0.00 O ATOM 0 H ASP A 101 -14.551 0.694 -8.058 1.00 0.00 H new ATOM 0 HA ASP A 101 -14.221 1.331 -5.300 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -15.628 2.837 -6.311 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -16.259 1.660 -7.446 1.00 0.00 H new ATOM 1494 N VAL A 102 -15.102 -0.600 -4.051 1.00 0.00 N ATOM 1495 CA VAL A 102 -15.608 -1.724 -3.272 1.00 0.00 C ATOM 1496 C VAL A 102 -16.534 -1.249 -2.158 1.00 0.00 C ATOM 1497 O VAL A 102 -16.233 -0.283 -1.458 1.00 0.00 O ATOM 1498 CB VAL A 102 -14.458 -2.542 -2.656 1.00 0.00 C ATOM 1499 CG1 VAL A 102 -15.006 -3.717 -1.860 1.00 0.00 C ATOM 1500 CG2 VAL A 102 -13.504 -3.020 -3.740 1.00 0.00 C ATOM 0 H VAL A 102 -14.422 -0.019 -3.560 1.00 0.00 H new ATOM 0 HA VAL A 102 -16.168 -2.359 -3.959 1.00 0.00 H new ATOM 0 HB VAL A 102 -13.902 -1.899 -1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -14.179 -4.284 -1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -15.646 -3.347 -1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -15.587 -4.363 -2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.698 -3.596 -3.287 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.044 -3.647 -4.449 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -13.086 -2.159 -4.262 1.00 0.00 H new ATOM 1510 N GLU A 103 -17.661 -1.935 -2.000 1.00 0.00 N ATOM 1511 CA GLU A 103 -18.631 -1.582 -0.970 1.00 0.00 C ATOM 1512 C GLU A 103 -19.032 -2.810 -0.156 1.00 0.00 C ATOM 1513 O GLU A 103 -19.674 -3.727 -0.670 1.00 0.00 O ATOM 1514 CB GLU A 103 -19.872 -0.949 -1.602 1.00 0.00 C ATOM 1515 CG GLU A 103 -20.954 -0.594 -0.596 1.00 0.00 C ATOM 1516 CD GLU A 103 -22.180 0.016 -1.248 1.00 0.00 C ATOM 1517 OE1 GLU A 103 -22.165 0.203 -2.483 1.00 0.00 O ATOM 1518 OE2 GLU A 103 -23.155 0.306 -0.523 1.00 0.00 O ATOM 0 H GLU A 103 -17.925 -2.738 -2.571 1.00 0.00 H new ATOM 0 HA GLU A 103 -18.164 -0.860 -0.300 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -19.576 -0.047 -2.138 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -20.285 -1.637 -2.339 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -21.246 -1.491 -0.050 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -20.550 0.106 0.135 1.00 0.00 H new ATOM 1525 N LEU A 104 -18.649 -2.820 1.115 1.00 0.00 N ATOM 1526 CA LEU A 104 -18.967 -3.934 2.001 1.00 0.00 C ATOM 1527 C LEU A 104 -20.473 -4.043 2.221 1.00 0.00 C ATOM 1528 O LEU A 104 -21.135 -3.059 2.554 1.00 0.00 O ATOM 1529 CB LEU A 104 -18.255 -3.763 3.345 1.00 0.00 C ATOM 1530 CG LEU A 104 -17.855 -5.053 4.061 1.00 0.00 C ATOM 1531 CD1 LEU A 104 -19.005 -6.047 4.054 1.00 0.00 C ATOM 1532 CD2 LEU A 104 -16.618 -5.660 3.414 1.00 0.00 C ATOM 0 H LEU A 104 -18.118 -2.069 1.556 1.00 0.00 H new ATOM 0 HA LEU A 104 -18.620 -4.852 1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -17.357 -3.167 3.184 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -18.904 -3.190 4.007 1.00 0.00 H new ATOM 0 HG LEU A 104 -17.618 -4.812 5.097 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -18.701 -6.959 4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -19.865 -5.612 4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -19.275 -6.284 3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -16.347 -6.578 3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -16.828 -5.886 2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -15.792 -4.952 3.473 1.00 0.00 H new ATOM 1544 N LEU A 105 -21.007 -5.245 2.035 1.00 0.00 N ATOM 1545 CA LEU A 105 -22.435 -5.483 2.215 1.00 0.00 C ATOM 1546 C LEU A 105 -22.687 -6.411 3.399 1.00 0.00 C ATOM 1547 O LEU A 105 -23.585 -6.174 4.207 1.00 0.00 O ATOM 1548 CB LEU A 105 -23.036 -6.085 0.944 1.00 0.00 C ATOM 1549 CG LEU A 105 -23.670 -5.094 -0.033 1.00 0.00 C ATOM 1550 CD1 LEU A 105 -22.596 -4.299 -0.759 1.00 0.00 C ATOM 1551 CD2 LEU A 105 -24.562 -5.822 -1.028 1.00 0.00 C ATOM 0 H LEU A 105 -20.473 -6.069 1.760 1.00 0.00 H new ATOM 0 HA LEU A 105 -22.915 -4.526 2.418 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -22.252 -6.631 0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -23.793 -6.814 1.234 1.00 0.00 H new ATOM 0 HG LEU A 105 -24.287 -4.398 0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -23.066 -3.599 -1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -21.999 -3.747 -0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -21.952 -4.981 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -25.005 -5.101 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -23.968 -6.542 -1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -25.354 -6.345 -0.492 1.00 0.00 H new ATOM 1563 N ARG A 106 -21.887 -7.468 3.496 1.00 0.00 N ATOM 1564 CA ARG A 106 -22.023 -8.432 4.582 1.00 0.00 C ATOM 1565 C ARG A 106 -20.681 -9.085 4.900 1.00 0.00 C ATOM 1566 O ARG A 106 -19.729 -8.982 4.126 1.00 0.00 O ATOM 1567 CB ARG A 106 -23.050 -9.504 4.215 1.00 0.00 C ATOM 1568 CG ARG A 106 -24.413 -8.942 3.846 1.00 0.00 C ATOM 1569 CD ARG A 106 -25.386 -10.045 3.463 1.00 0.00 C ATOM 1570 NE ARG A 106 -26.720 -9.524 3.177 1.00 0.00 N ATOM 1571 CZ ARG A 106 -27.748 -10.289 2.826 1.00 0.00 C ATOM 1572 NH1 ARG A 106 -27.596 -11.602 2.719 1.00 0.00 N ATOM 1573 NH2 ARG A 106 -28.931 -9.740 2.583 1.00 0.00 N ATOM 0 H ARG A 106 -21.138 -7.679 2.836 1.00 0.00 H new ATOM 0 HA ARG A 106 -22.367 -7.898 5.468 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -22.669 -10.089 3.378 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -23.164 -10.188 5.056 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -24.815 -8.377 4.687 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -24.307 -8.244 3.015 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -25.008 -10.574 2.588 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -25.447 -10.772 4.273 1.00 0.00 H new ATOM 0 HE ARG A 106 -26.871 -8.518 3.251 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -26.688 -12.027 2.906 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -28.387 -12.187 2.449 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -29.051 -8.731 2.666 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -29.720 -10.327 2.314 1.00 0.00 H new ATOM 1587 N VAL A 107 -20.612 -9.756 6.046 1.00 0.00 N ATOM 1588 CA VAL A 107 -19.387 -10.426 6.467 1.00 0.00 C ATOM 1589 C VAL A 107 -19.697 -11.650 7.321 1.00 0.00 C ATOM 1590 O VAL A 107 -20.654 -11.653 8.094 1.00 0.00 O ATOM 1591 CB VAL A 107 -18.472 -9.476 7.262 1.00 0.00 C ATOM 1592 CG1 VAL A 107 -19.110 -9.111 8.594 1.00 0.00 C ATOM 1593 CG2 VAL A 107 -17.104 -10.107 7.472 1.00 0.00 C ATOM 0 H VAL A 107 -21.390 -9.850 6.699 1.00 0.00 H new ATOM 0 HA VAL A 107 -18.870 -10.741 5.560 1.00 0.00 H new ATOM 0 HB VAL A 107 -18.340 -8.560 6.686 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -18.449 -8.439 9.142 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -20.065 -8.616 8.417 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -19.274 -10.016 9.179 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -16.470 -9.422 8.035 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -17.214 -11.039 8.027 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -16.646 -10.313 6.505 1.00 0.00 H new ATOM 1603 N GLU A 108 -18.879 -12.688 7.177 1.00 0.00 N ATOM 1604 CA GLU A 108 -19.067 -13.919 7.936 1.00 0.00 C ATOM 1605 C GLU A 108 -17.748 -14.672 8.086 1.00 0.00 C ATOM 1606 O GLU A 108 -17.215 -15.208 7.116 1.00 0.00 O ATOM 1607 CB GLU A 108 -20.103 -14.814 7.252 1.00 0.00 C ATOM 1608 CG GLU A 108 -21.534 -14.335 7.431 1.00 0.00 C ATOM 1609 CD GLU A 108 -22.552 -15.424 7.154 1.00 0.00 C ATOM 1610 OE1 GLU A 108 -22.552 -15.962 6.027 1.00 0.00 O ATOM 1611 OE2 GLU A 108 -23.348 -15.739 8.064 1.00 0.00 O ATOM 0 H GLU A 108 -18.081 -12.701 6.542 1.00 0.00 H new ATOM 0 HA GLU A 108 -19.428 -13.652 8.929 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -19.877 -14.868 6.187 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -20.015 -15.826 7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -21.666 -13.970 8.449 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -21.718 -13.493 6.764 1.00 0.00 H new