USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 672 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 9 SER OG : rot 180:sc= -0.107 USER MOD Set 1.2: A 29 MET CE :methyl 161:sc= -5.17! (180deg=-8.26!) USER MOD Set 2.1: A 10 SER OG : rot -32:sc= -0.493! USER MOD Set 2.2: A 14 THR OG1 : rot -60:sc= -1.95! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot -128:sc= -11.6! USER MOD Single : A 13 LYS NZ :NH3+ -108:sc= -1.12 (180deg=-1.39) USER MOD Single : A 15 TYR OH : rot 174:sc= -6.53! USER MOD Single : A 16 CYS SG : rot 160:sc= -2.74 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 66:sc= 1.18 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 130:sc= -0.508 USER MOD Single : A 34 GLN : amide:sc= -10.8! C(o=-11!,f=-13!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 85:sc= 0.95 USER MOD Single : A 43 SER OG : rot -113:sc= -4.6! USER MOD Single : A 46 TYR OH : rot -130:sc= -4.87! USER MOD Single : A 47 SER OG : rot 180:sc= -1.33 USER MOD Single : A 50 SER OG : rot -41:sc= -2.3 USER MOD Single : A 55 THR OG1 : rot -143:sc= -11! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.01! C(o=-1!,f=-2.2!) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot -44:sc= 0.739 USER MOD Single : A 72 LYS NZ :NH3+ 160:sc= -0.0242 (180deg=-0.316) USER MOD Single : A 73 THR OG1 : rot -92:sc= -1.09 USER MOD Single : A 82 LYS NZ :NH3+ 170:sc=-0.000129 (180deg=-0.108) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.998 -9.782 12.836 1.00 0.00 N ATOM 2 CA GLY A 1 7.213 -9.006 11.627 1.00 0.00 C ATOM 3 C GLY A 1 6.624 -7.601 11.765 1.00 0.00 C ATOM 4 O GLY A 1 5.437 -7.394 11.515 1.00 0.00 O ATOM 0 H1 GLY A 1 7.407 -10.731 12.717 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.456 -9.306 13.640 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.977 -9.865 13.018 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.281 -8.938 11.420 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.755 -9.514 10.778 1.00 0.00 H new ATOM 8 N GLU A 2 7.480 -6.671 12.163 1.00 0.00 N ATOM 9 CA GLU A 2 7.058 -5.292 12.338 1.00 0.00 C ATOM 10 C GLU A 2 7.212 -4.520 11.026 1.00 0.00 C ATOM 11 O GLU A 2 6.315 -3.778 10.629 1.00 0.00 O ATOM 12 CB GLU A 2 7.842 -4.617 13.465 1.00 0.00 C ATOM 13 CG GLU A 2 6.963 -4.419 14.702 1.00 0.00 C ATOM 14 CD GLU A 2 5.871 -3.381 14.437 1.00 0.00 C ATOM 15 OE1 GLU A 2 5.962 -2.246 14.929 1.00 0.00 O ATOM 16 OE2 GLU A 2 4.901 -3.788 13.690 1.00 0.00 O ATOM 0 H GLU A 2 8.464 -6.846 12.369 1.00 0.00 H new ATOM 0 HA GLU A 2 6.005 -5.288 12.619 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.709 -5.224 13.724 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.219 -3.653 13.124 1.00 0.00 H new ATOM 0 HG2 GLU A 2 6.507 -5.368 14.984 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.578 -4.098 15.543 1.00 0.00 H new ATOM 24 N ALA A 3 8.356 -4.721 10.388 1.00 0.00 N ATOM 25 CA ALA A 3 8.638 -4.053 9.129 1.00 0.00 C ATOM 26 C ALA A 3 7.606 -4.485 8.085 1.00 0.00 C ATOM 27 O ALA A 3 7.087 -3.655 7.340 1.00 0.00 O ATOM 28 CB ALA A 3 10.072 -4.366 8.695 1.00 0.00 C ATOM 0 H ALA A 3 9.098 -5.337 10.720 1.00 0.00 H new ATOM 0 HA ALA A 3 8.560 -2.972 9.242 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.284 -3.865 7.750 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.768 -4.014 9.457 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.187 -5.442 8.568 1.00 0.00 H new ATOM 34 N VAL A 4 7.341 -5.783 8.063 1.00 0.00 N ATOM 35 CA VAL A 4 6.381 -6.335 7.123 1.00 0.00 C ATOM 36 C VAL A 4 5.145 -5.435 7.075 1.00 0.00 C ATOM 37 O VAL A 4 4.729 -5.001 6.002 1.00 0.00 O ATOM 38 CB VAL A 4 6.053 -7.782 7.498 1.00 0.00 C ATOM 39 CG1 VAL A 4 6.834 -8.765 6.624 1.00 0.00 C ATOM 40 CG2 VAL A 4 6.319 -8.037 8.983 1.00 0.00 C ATOM 0 H VAL A 4 7.775 -6.468 8.681 1.00 0.00 H new ATOM 0 HA VAL A 4 6.803 -6.362 6.118 1.00 0.00 H new ATOM 0 HB VAL A 4 4.990 -7.943 7.316 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.583 -9.786 6.911 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.573 -8.608 5.577 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.903 -8.603 6.760 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.078 -9.072 9.223 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.370 -7.849 9.202 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.699 -7.371 9.583 1.00 0.00 H new ATOM 50 N ILE A 5 4.592 -5.181 8.252 1.00 0.00 N ATOM 51 CA ILE A 5 3.411 -4.341 8.358 1.00 0.00 C ATOM 52 C ILE A 5 3.841 -2.877 8.476 1.00 0.00 C ATOM 53 O ILE A 5 3.210 -1.992 7.900 1.00 0.00 O ATOM 54 CB ILE A 5 2.518 -4.813 9.508 1.00 0.00 C ATOM 55 CG1 ILE A 5 2.378 -6.337 9.502 1.00 0.00 C ATOM 56 CG2 ILE A 5 1.159 -4.112 9.470 1.00 0.00 C ATOM 57 CD1 ILE A 5 3.345 -6.973 8.501 1.00 0.00 C ATOM 0 H ILE A 5 4.940 -5.542 9.140 1.00 0.00 H new ATOM 0 HA ILE A 5 2.803 -4.425 7.457 1.00 0.00 H new ATOM 0 HB ILE A 5 2.996 -4.537 10.448 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.574 -6.728 10.501 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.354 -6.611 9.248 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.544 -4.465 10.298 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.302 -3.035 9.559 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.661 -4.335 8.527 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.225 -8.056 8.517 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.131 -6.599 7.500 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.369 -6.718 8.772 1.00 0.00 H new ATOM 69 N LYS A 6 4.913 -2.667 9.226 1.00 0.00 N ATOM 70 CA LYS A 6 5.436 -1.326 9.426 1.00 0.00 C ATOM 71 C LYS A 6 5.637 -0.653 8.067 1.00 0.00 C ATOM 72 O LYS A 6 5.336 0.528 7.905 1.00 0.00 O ATOM 73 CB LYS A 6 6.701 -1.366 10.286 1.00 0.00 C ATOM 74 CG LYS A 6 7.209 0.046 10.581 1.00 0.00 C ATOM 75 CD LYS A 6 8.730 0.059 10.745 1.00 0.00 C ATOM 76 CE LYS A 6 9.131 -0.338 12.167 1.00 0.00 C ATOM 77 NZ LYS A 6 9.716 0.818 12.883 1.00 0.00 N ATOM 0 H LYS A 6 5.434 -3.403 9.703 1.00 0.00 H new ATOM 0 HA LYS A 6 4.721 -0.718 9.980 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.492 -1.884 11.222 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.476 -1.935 9.773 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.921 0.716 9.771 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.739 0.423 11.489 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.182 -0.629 10.030 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.115 1.053 10.519 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.259 -0.705 12.708 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.852 -1.155 12.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.983 0.531 13.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.560 1.150 12.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.017 1.586 12.932 1.00 0.00 H new ATOM 90 N VAL A 7 6.144 -1.435 7.125 1.00 0.00 N ATOM 91 CA VAL A 7 6.389 -0.929 5.785 1.00 0.00 C ATOM 92 C VAL A 7 5.051 -0.704 5.077 1.00 0.00 C ATOM 93 O VAL A 7 4.698 0.430 4.757 1.00 0.00 O ATOM 94 CB VAL A 7 7.313 -1.884 5.026 1.00 0.00 C ATOM 95 CG1 VAL A 7 6.574 -2.557 3.868 1.00 0.00 C ATOM 96 CG2 VAL A 7 8.564 -1.156 4.530 1.00 0.00 C ATOM 0 H VAL A 7 6.392 -2.415 7.263 1.00 0.00 H new ATOM 0 HA VAL A 7 6.901 0.033 5.827 1.00 0.00 H new ATOM 0 HB VAL A 7 7.631 -2.664 5.718 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.253 -3.230 3.345 1.00 0.00 H new ATOM 0 HG12 VAL A 7 5.728 -3.124 4.257 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.213 -1.796 3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.204 -1.857 3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 7 8.273 -0.346 3.861 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.108 -0.746 5.381 1.00 0.00 H new ATOM 106 N ILE A 8 4.344 -1.802 4.854 1.00 0.00 N ATOM 107 CA ILE A 8 3.053 -1.738 4.191 1.00 0.00 C ATOM 108 C ILE A 8 2.270 -0.535 4.721 1.00 0.00 C ATOM 109 O ILE A 8 1.680 0.217 3.946 1.00 0.00 O ATOM 110 CB ILE A 8 2.309 -3.067 4.336 1.00 0.00 C ATOM 111 CG1 ILE A 8 1.227 -3.211 3.263 1.00 0.00 C ATOM 112 CG2 ILE A 8 1.742 -3.227 5.748 1.00 0.00 C ATOM 113 CD1 ILE A 8 1.665 -2.555 1.952 1.00 0.00 C ATOM 0 H ILE A 8 4.641 -2.741 5.121 1.00 0.00 H new ATOM 0 HA ILE A 8 3.184 -1.587 3.119 1.00 0.00 H new ATOM 0 HB ILE A 8 3.023 -3.876 4.183 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.016 -4.267 3.093 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.301 -2.753 3.611 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.218 -4.180 5.824 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.556 -3.202 6.472 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.047 -2.413 5.955 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.879 -2.671 1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.851 -1.494 2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.578 -3.031 1.594 1.00 0.00 H new ATOM 125 N SER A 9 2.290 -0.390 6.038 1.00 0.00 N ATOM 126 CA SER A 9 1.590 0.709 6.681 1.00 0.00 C ATOM 127 C SER A 9 2.237 2.040 6.293 1.00 0.00 C ATOM 128 O SER A 9 1.627 2.851 5.597 1.00 0.00 O ATOM 129 CB SER A 9 1.585 0.544 8.202 1.00 0.00 C ATOM 130 OG SER A 9 1.039 1.684 8.860 1.00 0.00 O ATOM 0 H SER A 9 2.780 -1.016 6.677 1.00 0.00 H new ATOM 0 HA SER A 9 0.555 0.702 6.339 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.007 -0.340 8.469 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.604 0.376 8.552 1.00 0.00 H new ATOM 0 HG SER A 9 1.052 1.540 9.829 1.00 0.00 H new ATOM 136 N SER A 10 3.463 2.224 6.759 1.00 0.00 N ATOM 137 CA SER A 10 4.199 3.443 6.470 1.00 0.00 C ATOM 138 C SER A 10 4.467 3.548 4.967 1.00 0.00 C ATOM 139 O SER A 10 4.262 4.603 4.369 1.00 0.00 O ATOM 140 CB SER A 10 5.515 3.489 7.248 1.00 0.00 C ATOM 141 OG SER A 10 5.608 4.649 8.071 1.00 0.00 O ATOM 0 H SER A 10 3.966 1.549 7.335 1.00 0.00 H new ATOM 0 HA SER A 10 3.592 4.292 6.785 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.601 2.597 7.868 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.351 3.473 6.548 1.00 0.00 H new ATOM 0 HG SER A 10 5.129 5.391 7.646 1.00 0.00 H new ATOM 147 N ALA A 11 4.921 2.439 4.401 1.00 0.00 N ATOM 148 CA ALA A 11 5.219 2.394 2.979 1.00 0.00 C ATOM 149 C ALA A 11 3.989 2.845 2.190 1.00 0.00 C ATOM 150 O ALA A 11 4.111 3.316 1.060 1.00 0.00 O ATOM 151 CB ALA A 11 5.672 0.983 2.598 1.00 0.00 C ATOM 0 H ALA A 11 5.090 1.566 4.901 1.00 0.00 H new ATOM 0 HA ALA A 11 6.034 3.075 2.735 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.896 0.948 1.532 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.566 0.722 3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.878 0.272 2.825 1.00 0.00 H new ATOM 157 N CYS A 12 2.832 2.684 2.815 1.00 0.00 N ATOM 158 CA CYS A 12 1.581 3.069 2.185 1.00 0.00 C ATOM 159 C CYS A 12 1.491 4.596 2.188 1.00 0.00 C ATOM 160 O CYS A 12 1.370 5.217 1.133 1.00 0.00 O ATOM 161 CB CYS A 12 0.378 2.425 2.878 1.00 0.00 C ATOM 162 SG CYS A 12 -1.164 2.876 2.000 1.00 0.00 S ATOM 0 H CYS A 12 2.735 2.292 3.752 1.00 0.00 H new ATOM 0 HA CYS A 12 1.562 2.707 1.157 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.494 1.341 2.894 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.326 2.755 3.916 1.00 0.00 H new ATOM 0 HG CYS A 12 -2.026 3.348 2.851 1.00 0.00 H new ATOM 168 N LYS A 13 1.555 5.159 3.386 1.00 0.00 N ATOM 169 CA LYS A 13 1.482 6.602 3.540 1.00 0.00 C ATOM 170 C LYS A 13 2.899 7.178 3.574 1.00 0.00 C ATOM 171 O LYS A 13 3.222 8.086 2.808 1.00 0.00 O ATOM 172 CB LYS A 13 0.640 6.968 4.764 1.00 0.00 C ATOM 173 CG LYS A 13 0.331 8.467 4.788 1.00 0.00 C ATOM 174 CD LYS A 13 -0.450 8.845 6.047 1.00 0.00 C ATOM 175 CE LYS A 13 0.498 9.223 7.188 1.00 0.00 C ATOM 176 NZ LYS A 13 0.876 8.022 7.966 1.00 0.00 N ATOM 0 H LYS A 13 1.657 4.642 4.259 1.00 0.00 H new ATOM 0 HA LYS A 13 0.974 7.052 2.687 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.291 6.401 4.752 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.172 6.688 5.673 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.261 9.034 4.748 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.245 8.737 3.903 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.115 9.681 5.830 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.079 8.009 6.354 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.392 9.698 6.784 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.018 9.951 7.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.405 8.046 8.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.582 7.168 7.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.907 8.007 8.102 1.00 0.00 H new ATOM 189 N THR A 14 3.707 6.628 4.469 1.00 0.00 N ATOM 190 CA THR A 14 5.081 7.077 4.612 1.00 0.00 C ATOM 191 C THR A 14 5.807 7.011 3.266 1.00 0.00 C ATOM 192 O THR A 14 6.717 7.797 3.009 1.00 0.00 O ATOM 193 CB THR A 14 5.743 6.231 5.701 1.00 0.00 C ATOM 194 OG1 THR A 14 4.764 6.168 6.735 1.00 0.00 O ATOM 195 CG2 THR A 14 6.929 6.943 6.355 1.00 0.00 C ATOM 0 H THR A 14 3.436 5.876 5.102 1.00 0.00 H new ATOM 0 HA THR A 14 5.126 8.122 4.919 1.00 0.00 H new ATOM 0 HB THR A 14 6.077 5.286 5.273 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.560 7.074 7.048 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.363 6.299 7.120 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.682 7.166 5.599 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.589 7.872 6.812 1.00 0.00 H new ATOM 203 N TYR A 15 5.376 6.066 2.444 1.00 0.00 N ATOM 204 CA TYR A 15 5.973 5.887 1.131 1.00 0.00 C ATOM 205 C TYR A 15 5.641 7.065 0.213 1.00 0.00 C ATOM 206 O TYR A 15 6.496 7.907 -0.055 1.00 0.00 O ATOM 207 CB TYR A 15 5.350 4.614 0.554 1.00 0.00 C ATOM 208 CG TYR A 15 6.267 3.851 -0.403 1.00 0.00 C ATOM 209 CD1 TYR A 15 7.262 4.520 -1.087 1.00 0.00 C ATOM 210 CD2 TYR A 15 6.100 2.493 -0.583 1.00 0.00 C ATOM 211 CE1 TYR A 15 8.125 3.802 -1.988 1.00 0.00 C ATOM 212 CE2 TYR A 15 6.963 1.774 -1.484 1.00 0.00 C ATOM 213 CZ TYR A 15 7.933 2.464 -2.142 1.00 0.00 C ATOM 214 OH TYR A 15 8.749 1.785 -2.993 1.00 0.00 O ATOM 0 H TYR A 15 4.621 5.416 2.661 1.00 0.00 H new ATOM 0 HA TYR A 15 7.058 5.823 1.208 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.070 3.955 1.375 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.432 4.877 0.029 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.393 5.583 -0.946 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.322 1.969 -0.048 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.907 4.314 -2.529 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.843 0.711 -1.634 1.00 0.00 H new ATOM 0 HH TYR A 15 8.561 0.825 -2.931 1.00 0.00 H new ATOM 224 N CYS A 16 4.398 7.085 -0.244 1.00 0.00 N ATOM 225 CA CYS A 16 3.943 8.146 -1.127 1.00 0.00 C ATOM 226 C CYS A 16 3.245 9.211 -0.278 1.00 0.00 C ATOM 227 O CYS A 16 3.510 10.402 -0.430 1.00 0.00 O ATOM 228 CB CYS A 16 3.031 7.610 -2.233 1.00 0.00 C ATOM 229 SG CYS A 16 1.671 8.792 -2.551 1.00 0.00 S ATOM 0 H CYS A 16 3.692 6.384 -0.020 1.00 0.00 H new ATOM 0 HA CYS A 16 4.798 8.591 -1.636 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.606 7.451 -3.145 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.622 6.643 -1.942 1.00 0.00 H new ATOM 0 HG CYS A 16 1.167 8.567 -3.728 1.00 0.00 H new ATOM 235 N GLY A 17 2.366 8.743 0.596 1.00 0.00 N ATOM 236 CA GLY A 17 1.628 9.640 1.468 1.00 0.00 C ATOM 237 C GLY A 17 2.579 10.533 2.268 1.00 0.00 C ATOM 238 O GLY A 17 2.170 11.565 2.797 1.00 0.00 O ATOM 0 H GLY A 17 2.148 7.754 0.719 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.956 10.259 0.874 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.007 9.060 2.151 1.00 0.00 H new ATOM 242 N LYS A 18 3.830 10.102 2.331 1.00 0.00 N ATOM 243 CA LYS A 18 4.843 10.849 3.058 1.00 0.00 C ATOM 244 C LYS A 18 4.453 10.924 4.535 1.00 0.00 C ATOM 245 O LYS A 18 5.004 10.201 5.364 1.00 0.00 O ATOM 246 CB LYS A 18 5.066 12.218 2.410 1.00 0.00 C ATOM 247 CG LYS A 18 6.038 13.063 3.237 1.00 0.00 C ATOM 248 CD LYS A 18 6.478 14.307 2.462 1.00 0.00 C ATOM 249 CE LYS A 18 7.955 14.616 2.715 1.00 0.00 C ATOM 250 NZ LYS A 18 8.368 15.821 1.962 1.00 0.00 N ATOM 0 H LYS A 18 4.166 9.245 1.891 1.00 0.00 H new ATOM 0 HA LYS A 18 5.804 10.337 3.008 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.459 12.088 1.402 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.114 12.740 2.316 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.562 13.361 4.171 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.911 12.466 3.500 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.312 14.153 1.396 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.868 15.160 2.760 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.123 14.770 3.781 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.567 13.765 2.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.373 16.017 2.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.226 15.660 0.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.796 16.634 2.267 1.00 0.00 H new ATOM 263 N THR A 19 3.506 11.806 4.821 1.00 0.00 N ATOM 264 CA THR A 19 3.037 11.985 6.184 1.00 0.00 C ATOM 265 C THR A 19 1.610 12.536 6.188 1.00 0.00 C ATOM 266 O THR A 19 0.730 11.986 6.849 1.00 0.00 O ATOM 267 CB THR A 19 4.037 12.882 6.915 1.00 0.00 C ATOM 268 OG1 THR A 19 3.864 12.548 8.289 1.00 0.00 O ATOM 269 CG2 THR A 19 3.659 14.363 6.841 1.00 0.00 C ATOM 0 H THR A 19 3.051 12.404 4.131 1.00 0.00 H new ATOM 0 HA THR A 19 2.986 11.033 6.713 1.00 0.00 H new ATOM 0 HB THR A 19 5.030 12.739 6.489 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.477 13.083 8.835 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.402 14.955 7.376 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.626 14.678 5.798 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.680 14.512 7.296 1.00 0.00 H new ATOM 277 N SER A 20 1.425 13.617 5.444 1.00 0.00 N ATOM 278 CA SER A 20 0.120 14.249 5.354 1.00 0.00 C ATOM 279 C SER A 20 -0.980 13.187 5.392 1.00 0.00 C ATOM 280 O SER A 20 -1.310 12.593 4.366 1.00 0.00 O ATOM 281 CB SER A 20 0.002 15.090 4.081 1.00 0.00 C ATOM 282 OG SER A 20 -0.932 16.156 4.230 1.00 0.00 O ATOM 0 H SER A 20 2.157 14.071 4.898 1.00 0.00 H new ATOM 0 HA SER A 20 0.003 14.915 6.209 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.980 15.498 3.824 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.305 14.452 3.252 1.00 0.00 H new ATOM 0 HG SER A 20 -0.977 16.670 3.397 1.00 0.00 H new ATOM 288 N PRO A 21 -1.532 12.974 6.616 1.00 0.00 N ATOM 289 CA PRO A 21 -2.588 11.993 6.801 1.00 0.00 C ATOM 290 C PRO A 21 -3.919 12.511 6.253 1.00 0.00 C ATOM 291 O PRO A 21 -3.995 13.633 5.755 1.00 0.00 O ATOM 292 CB PRO A 21 -2.624 11.731 8.298 1.00 0.00 C ATOM 293 CG PRO A 21 -1.912 12.908 8.944 1.00 0.00 C ATOM 294 CD PRO A 21 -1.167 13.659 7.853 1.00 0.00 C ATOM 0 HA PRO A 21 -2.405 11.069 6.253 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.650 11.651 8.656 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.127 10.792 8.542 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.629 13.564 9.437 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -1.219 12.561 9.710 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.458 14.709 7.825 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.090 13.631 8.018 1.00 0.00 H new ATOM 302 N SER A 22 -4.936 11.669 6.363 1.00 0.00 N ATOM 303 CA SER A 22 -6.260 12.027 5.885 1.00 0.00 C ATOM 304 C SER A 22 -7.109 10.768 5.700 1.00 0.00 C ATOM 305 O SER A 22 -7.856 10.655 4.729 1.00 0.00 O ATOM 306 CB SER A 22 -6.179 12.809 4.572 1.00 0.00 C ATOM 307 OG SER A 22 -6.230 14.217 4.786 1.00 0.00 O ATOM 0 H SER A 22 -4.869 10.739 6.777 1.00 0.00 H new ATOM 0 HA SER A 22 -6.730 12.668 6.631 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.254 12.554 4.055 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.001 12.511 3.921 1.00 0.00 H new ATOM 0 HG SER A 22 -5.429 14.503 5.273 1.00 0.00 H new ATOM 313 N LYS A 23 -6.966 9.852 6.647 1.00 0.00 N ATOM 314 CA LYS A 23 -7.710 8.605 6.601 1.00 0.00 C ATOM 315 C LYS A 23 -7.890 8.177 5.143 1.00 0.00 C ATOM 316 O LYS A 23 -8.911 8.478 4.526 1.00 0.00 O ATOM 317 CB LYS A 23 -9.026 8.737 7.370 1.00 0.00 C ATOM 318 CG LYS A 23 -9.639 10.125 7.173 1.00 0.00 C ATOM 319 CD LYS A 23 -11.025 10.209 7.815 1.00 0.00 C ATOM 320 CE LYS A 23 -12.117 10.315 6.748 1.00 0.00 C ATOM 321 NZ LYS A 23 -12.754 8.998 6.525 1.00 0.00 N ATOM 0 H LYS A 23 -6.346 9.949 7.451 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.154 7.811 7.101 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.727 7.974 7.031 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.851 8.560 8.431 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.986 10.880 7.610 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.714 10.346 6.108 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.198 9.327 8.432 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.072 11.074 8.476 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.868 11.041 7.059 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.688 10.681 5.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.492 9.088 5.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.037 8.315 6.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.181 8.664 7.413 1.00 0.00 H new ATOM 334 N LYS A 24 -6.883 7.482 4.635 1.00 0.00 N ATOM 335 CA LYS A 24 -6.917 7.010 3.261 1.00 0.00 C ATOM 336 C LYS A 24 -5.587 6.332 2.926 1.00 0.00 C ATOM 337 O LYS A 24 -5.558 5.338 2.202 1.00 0.00 O ATOM 338 CB LYS A 24 -7.282 8.152 2.311 1.00 0.00 C ATOM 339 CG LYS A 24 -8.683 7.955 1.729 1.00 0.00 C ATOM 340 CD LYS A 24 -9.406 9.295 1.573 1.00 0.00 C ATOM 341 CE LYS A 24 -10.833 9.214 2.117 1.00 0.00 C ATOM 342 NZ LYS A 24 -11.400 10.571 2.289 1.00 0.00 N ATOM 0 H LYS A 24 -6.038 7.234 5.150 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.698 6.260 3.135 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.236 9.102 2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.553 8.204 1.503 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.612 7.461 0.760 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.262 7.299 2.379 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.855 10.073 2.101 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.430 9.579 0.521 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.457 8.637 1.434 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.835 8.689 3.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.369 10.498 2.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.814 11.110 2.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.416 11.060 1.371 1.00 0.00 H new ATOM 355 N GLU A 25 -4.518 6.897 3.468 1.00 0.00 N ATOM 356 CA GLU A 25 -3.189 6.360 3.236 1.00 0.00 C ATOM 357 C GLU A 25 -2.999 5.057 4.016 1.00 0.00 C ATOM 358 O GLU A 25 -3.043 3.972 3.439 1.00 0.00 O ATOM 359 CB GLU A 25 -2.112 7.382 3.605 1.00 0.00 C ATOM 360 CG GLU A 25 -2.486 8.778 3.103 1.00 0.00 C ATOM 361 CD GLU A 25 -2.927 9.677 4.260 1.00 0.00 C ATOM 362 OE1 GLU A 25 -3.203 9.179 5.362 1.00 0.00 O ATOM 363 OE2 GLU A 25 -2.979 10.936 3.984 1.00 0.00 O ATOM 0 H GLU A 25 -4.546 7.722 4.067 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.087 6.142 2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.982 7.404 4.687 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.157 7.081 3.175 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.632 9.226 2.594 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.289 8.702 2.370 1.00 0.00 H new ATOM 371 N ILE A 26 -2.791 5.208 5.316 1.00 0.00 N ATOM 372 CA ILE A 26 -2.594 4.057 6.181 1.00 0.00 C ATOM 373 C ILE A 26 -3.703 3.035 5.922 1.00 0.00 C ATOM 374 O ILE A 26 -3.450 1.831 5.905 1.00 0.00 O ATOM 375 CB ILE A 26 -2.492 4.497 7.643 1.00 0.00 C ATOM 376 CG1 ILE A 26 -1.342 5.487 7.838 1.00 0.00 C ATOM 377 CG2 ILE A 26 -2.372 3.288 8.572 1.00 0.00 C ATOM 378 CD1 ILE A 26 -0.057 4.762 8.240 1.00 0.00 C ATOM 0 H ILE A 26 -2.755 6.110 5.791 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.648 3.566 5.953 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.413 5.017 7.909 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.176 6.044 6.916 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.609 6.214 8.605 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.301 3.629 9.605 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.251 2.653 8.459 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.478 2.719 8.315 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.745 5.489 8.372 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.219 4.226 9.175 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.221 4.054 7.459 1.00 0.00 H new ATOM 390 N GLY A 27 -4.907 3.552 5.727 1.00 0.00 N ATOM 391 CA GLY A 27 -6.055 2.699 5.470 1.00 0.00 C ATOM 392 C GLY A 27 -5.779 1.744 4.307 1.00 0.00 C ATOM 393 O GLY A 27 -6.129 0.566 4.370 1.00 0.00 O ATOM 0 H GLY A 27 -5.113 4.551 5.742 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.295 2.127 6.366 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.926 3.314 5.242 1.00 0.00 H new ATOM 397 N ALA A 28 -5.154 2.287 3.273 1.00 0.00 N ATOM 398 CA ALA A 28 -4.827 1.498 2.098 1.00 0.00 C ATOM 399 C ALA A 28 -3.988 0.289 2.517 1.00 0.00 C ATOM 400 O ALA A 28 -4.331 -0.849 2.201 1.00 0.00 O ATOM 401 CB ALA A 28 -4.109 2.379 1.074 1.00 0.00 C ATOM 0 H ALA A 28 -4.865 3.264 3.225 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.734 1.122 1.625 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.864 1.786 0.193 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.758 3.206 0.786 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.192 2.773 1.512 1.00 0.00 H new ATOM 407 N MET A 29 -2.904 0.578 3.223 1.00 0.00 N ATOM 408 CA MET A 29 -2.013 -0.471 3.689 1.00 0.00 C ATOM 409 C MET A 29 -2.801 -1.716 4.102 1.00 0.00 C ATOM 410 O MET A 29 -2.432 -2.835 3.747 1.00 0.00 O ATOM 411 CB MET A 29 -1.203 0.040 4.882 1.00 0.00 C ATOM 412 CG MET A 29 -0.959 -1.078 5.898 1.00 0.00 C ATOM 413 SD MET A 29 -2.226 -1.050 7.154 1.00 0.00 S ATOM 414 CE MET A 29 -1.498 0.106 8.303 1.00 0.00 C ATOM 0 H MET A 29 -2.623 1.523 3.483 1.00 0.00 H new ATOM 0 HA MET A 29 -1.343 -0.742 2.873 1.00 0.00 H new ATOM 0 HB2 MET A 29 -0.248 0.436 4.535 1.00 0.00 H new ATOM 0 HB3 MET A 29 -1.734 0.862 5.361 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.957 -2.044 5.394 1.00 0.00 H new ATOM 0 HG3 MET A 29 0.022 -0.956 6.357 1.00 0.00 H new ATOM 0 HE1 MET A 29 -2.271 0.499 8.963 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.738 -0.401 8.897 1.00 0.00 H new ATOM 0 HE3 MET A 29 -1.040 0.927 7.752 1.00 0.00 H new ATOM 424 N LEU A 30 -3.872 -1.480 4.846 1.00 0.00 N ATOM 425 CA LEU A 30 -4.715 -2.569 5.311 1.00 0.00 C ATOM 426 C LEU A 30 -5.737 -2.915 4.227 1.00 0.00 C ATOM 427 O LEU A 30 -5.635 -3.959 3.584 1.00 0.00 O ATOM 428 CB LEU A 30 -5.345 -2.219 6.661 1.00 0.00 C ATOM 429 CG LEU A 30 -4.924 -3.094 7.844 1.00 0.00 C ATOM 430 CD1 LEU A 30 -4.384 -2.240 8.992 1.00 0.00 C ATOM 431 CD2 LEU A 30 -6.074 -3.998 8.293 1.00 0.00 C ATOM 0 H LEU A 30 -4.175 -0.551 5.138 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.119 -3.465 5.486 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.101 -1.183 6.896 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.429 -2.276 6.560 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.112 -3.744 7.517 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.092 -2.886 9.820 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.517 -1.676 8.649 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.158 -1.549 9.327 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.749 -4.609 9.135 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.922 -3.384 8.597 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.371 -4.645 7.468 1.00 0.00 H new ATOM 443 N SER A 31 -6.698 -2.020 4.057 1.00 0.00 N ATOM 444 CA SER A 31 -7.738 -2.218 3.061 1.00 0.00 C ATOM 445 C SER A 31 -7.109 -2.436 1.684 1.00 0.00 C ATOM 446 O SER A 31 -7.479 -3.366 0.969 1.00 0.00 O ATOM 447 CB SER A 31 -8.699 -1.028 3.023 1.00 0.00 C ATOM 448 OG SER A 31 -9.907 -1.294 3.731 1.00 0.00 O ATOM 0 H SER A 31 -6.779 -1.155 4.592 1.00 0.00 H new ATOM 0 HA SER A 31 -8.311 -3.104 3.336 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.211 -0.154 3.454 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.933 -0.784 1.987 1.00 0.00 H new ATOM 0 HG SER A 31 -10.091 -0.559 4.352 1.00 0.00 H new ATOM 454 N LEU A 32 -6.169 -1.564 1.353 1.00 0.00 N ATOM 455 CA LEU A 32 -5.485 -1.649 0.074 1.00 0.00 C ATOM 456 C LEU A 32 -4.950 -3.069 -0.119 1.00 0.00 C ATOM 457 O LEU A 32 -5.310 -3.747 -1.081 1.00 0.00 O ATOM 458 CB LEU A 32 -4.408 -0.567 -0.032 1.00 0.00 C ATOM 459 CG LEU A 32 -3.971 -0.192 -1.449 1.00 0.00 C ATOM 460 CD1 LEU A 32 -3.868 -1.433 -2.338 1.00 0.00 C ATOM 461 CD2 LEU A 32 -4.900 0.866 -2.047 1.00 0.00 C ATOM 0 H LEU A 32 -5.864 -0.794 1.949 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.180 -1.455 -0.743 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.774 0.332 0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.530 -0.901 0.521 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.975 0.248 -1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.556 -1.138 -3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.135 -2.122 -1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.840 -1.924 -2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.567 1.115 -3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.917 0.476 -2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.879 1.762 -1.426 1.00 0.00 H new ATOM 473 N LEU A 33 -4.098 -3.479 0.810 1.00 0.00 N ATOM 474 CA LEU A 33 -3.510 -4.806 0.754 1.00 0.00 C ATOM 475 C LEU A 33 -4.551 -5.839 1.191 1.00 0.00 C ATOM 476 O LEU A 33 -4.798 -6.814 0.483 1.00 0.00 O ATOM 477 CB LEU A 33 -2.217 -4.854 1.570 1.00 0.00 C ATOM 478 CG LEU A 33 -1.080 -3.955 1.078 1.00 0.00 C ATOM 479 CD1 LEU A 33 -0.146 -4.718 0.137 1.00 0.00 C ATOM 480 CD2 LEU A 33 -1.629 -2.681 0.434 1.00 0.00 C ATOM 0 H LEU A 33 -3.801 -2.915 1.606 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.224 -5.053 -0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.450 -4.581 2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.859 -5.883 1.586 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.487 -3.650 1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.653 -4.056 -0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.285 -5.569 0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.709 -5.073 -0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.801 -2.060 0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.258 -2.945 -0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.219 -2.129 1.165 1.00 0.00 H new ATOM 492 N GLN A 34 -5.133 -5.590 2.354 1.00 0.00 N ATOM 493 CA GLN A 34 -6.142 -6.486 2.894 1.00 0.00 C ATOM 494 C GLN A 34 -7.407 -6.440 2.035 1.00 0.00 C ATOM 495 O GLN A 34 -8.414 -7.060 2.373 1.00 0.00 O ATOM 496 CB GLN A 34 -6.456 -6.145 4.351 1.00 0.00 C ATOM 497 CG GLN A 34 -5.187 -6.166 5.205 1.00 0.00 C ATOM 498 CD GLN A 34 -5.513 -6.486 6.666 1.00 0.00 C ATOM 499 OE1 GLN A 34 -6.623 -6.297 7.136 1.00 0.00 O ATOM 500 NE2 GLN A 34 -4.488 -6.979 7.354 1.00 0.00 N ATOM 0 H GLN A 34 -4.925 -4.780 2.938 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.747 -7.502 2.871 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.919 -5.160 4.406 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.178 -6.859 4.748 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.493 -6.909 4.813 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.687 -5.199 5.144 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.585 -7.112 6.899 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.605 -7.224 8.337 1.00 0.00 H new ATOM 509 N LYS A 35 -7.314 -5.700 0.940 1.00 0.00 N ATOM 510 CA LYS A 35 -8.438 -5.565 0.030 1.00 0.00 C ATOM 511 C LYS A 35 -7.932 -5.625 -1.413 1.00 0.00 C ATOM 512 O LYS A 35 -8.583 -5.118 -2.325 1.00 0.00 O ATOM 513 CB LYS A 35 -9.237 -4.299 0.349 1.00 0.00 C ATOM 514 CG LYS A 35 -10.728 -4.510 0.082 1.00 0.00 C ATOM 515 CD LYS A 35 -11.371 -5.346 1.192 1.00 0.00 C ATOM 516 CE LYS A 35 -12.668 -4.700 1.683 1.00 0.00 C ATOM 517 NZ LYS A 35 -13.448 -5.659 2.497 1.00 0.00 N ATOM 0 H LYS A 35 -6.477 -5.187 0.663 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.133 -6.394 0.159 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.086 -4.023 1.393 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.869 -3.470 -0.256 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.229 -3.544 0.012 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.862 -5.009 -0.878 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.578 -6.350 0.822 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.674 -5.450 2.024 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.439 -3.814 2.275 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.262 -4.369 0.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.325 -5.205 2.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.683 -6.493 1.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.885 -5.954 3.320 1.00 0.00 H new ATOM 530 N GLU A 36 -6.774 -6.249 -1.574 1.00 0.00 N ATOM 531 CA GLU A 36 -6.173 -6.383 -2.890 1.00 0.00 C ATOM 532 C GLU A 36 -5.519 -7.758 -3.038 1.00 0.00 C ATOM 533 O GLU A 36 -4.841 -8.023 -4.030 1.00 0.00 O ATOM 534 CB GLU A 36 -5.161 -5.264 -3.147 1.00 0.00 C ATOM 535 CG GLU A 36 -4.433 -5.477 -4.475 1.00 0.00 C ATOM 536 CD GLU A 36 -2.920 -5.562 -4.263 1.00 0.00 C ATOM 537 OE1 GLU A 36 -2.212 -4.560 -4.438 1.00 0.00 O ATOM 538 OE2 GLU A 36 -2.484 -6.722 -3.902 1.00 0.00 O ATOM 0 H GLU A 36 -6.236 -6.667 -0.815 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.961 -6.295 -3.638 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.673 -4.302 -3.159 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.437 -5.230 -2.333 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.790 -6.393 -4.947 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.663 -4.657 -5.156 1.00 0.00 H new ATOM 546 N GLY A 37 -5.745 -8.596 -2.038 1.00 0.00 N ATOM 547 CA GLY A 37 -5.186 -9.937 -2.044 1.00 0.00 C ATOM 548 C GLY A 37 -3.969 -10.029 -1.121 1.00 0.00 C ATOM 549 O GLY A 37 -2.966 -10.649 -1.469 1.00 0.00 O ATOM 0 H GLY A 37 -6.308 -8.372 -1.217 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.944 -10.652 -1.724 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.898 -10.210 -3.059 1.00 0.00 H new ATOM 553 N LEU A 38 -4.098 -9.401 0.039 1.00 0.00 N ATOM 554 CA LEU A 38 -3.022 -9.404 1.015 1.00 0.00 C ATOM 555 C LEU A 38 -3.614 -9.529 2.420 1.00 0.00 C ATOM 556 O LEU A 38 -3.225 -8.796 3.329 1.00 0.00 O ATOM 557 CB LEU A 38 -2.129 -8.175 0.831 1.00 0.00 C ATOM 558 CG LEU A 38 -1.185 -8.206 -0.372 1.00 0.00 C ATOM 559 CD1 LEU A 38 -1.831 -7.549 -1.593 1.00 0.00 C ATOM 560 CD2 LEU A 38 0.165 -7.573 -0.027 1.00 0.00 C ATOM 0 H LEU A 38 -4.931 -8.887 0.324 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.373 -10.267 0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.768 -7.296 0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.531 -8.046 1.733 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.995 -9.248 -0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.139 -7.584 -2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.745 -8.083 -1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.070 -6.511 -1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.817 -7.608 -0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.015 -6.536 0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.626 -8.124 0.793 1.00 0.00 H new ATOM 572 N LEU A 39 -4.545 -10.462 2.555 1.00 0.00 N ATOM 573 CA LEU A 39 -5.194 -10.692 3.834 1.00 0.00 C ATOM 574 C LEU A 39 -4.781 -12.064 4.371 1.00 0.00 C ATOM 575 O LEU A 39 -5.380 -12.569 5.320 1.00 0.00 O ATOM 576 CB LEU A 39 -6.708 -10.512 3.707 1.00 0.00 C ATOM 577 CG LEU A 39 -7.420 -9.931 4.930 1.00 0.00 C ATOM 578 CD1 LEU A 39 -6.519 -8.939 5.669 1.00 0.00 C ATOM 579 CD2 LEU A 39 -8.761 -9.307 4.539 1.00 0.00 C ATOM 0 H LEU A 39 -4.865 -11.068 1.799 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.868 -9.952 4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.906 -9.863 2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.151 -11.482 3.480 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.634 -10.747 5.620 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.049 -8.541 6.534 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.613 -9.447 6.001 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.252 -8.122 4.999 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.246 -8.902 5.427 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.593 -8.506 3.819 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.400 -10.068 4.092 1.00 0.00 H new ATOM 591 N MET A 40 -3.761 -12.628 3.741 1.00 0.00 N ATOM 592 CA MET A 40 -3.262 -13.932 4.144 1.00 0.00 C ATOM 593 C MET A 40 -1.980 -13.797 4.967 1.00 0.00 C ATOM 594 O MET A 40 -1.388 -14.798 5.370 1.00 0.00 O ATOM 595 CB MET A 40 -2.983 -14.779 2.900 1.00 0.00 C ATOM 596 CG MET A 40 -2.464 -16.165 3.286 1.00 0.00 C ATOM 597 SD MET A 40 -3.175 -17.403 2.214 1.00 0.00 S ATOM 598 CE MET A 40 -4.232 -18.250 3.376 1.00 0.00 C ATOM 0 H MET A 40 -3.267 -12.206 2.955 1.00 0.00 H new ATOM 0 HA MET A 40 -4.019 -14.415 4.761 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.895 -14.879 2.312 1.00 0.00 H new ATOM 0 HB3 MET A 40 -2.251 -14.275 2.269 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.377 -16.189 3.212 1.00 0.00 H new ATOM 0 HG3 MET A 40 -2.718 -16.381 4.324 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.755 -19.060 2.868 1.00 0.00 H new ATOM 0 HE2 MET A 40 -3.628 -18.660 4.186 1.00 0.00 H new ATOM 0 HE3 MET A 40 -4.959 -17.548 3.785 1.00 0.00 H new ATOM 608 N SER A 41 -1.588 -12.552 5.194 1.00 0.00 N ATOM 609 CA SER A 41 -0.387 -12.273 5.963 1.00 0.00 C ATOM 610 C SER A 41 0.301 -11.018 5.422 1.00 0.00 C ATOM 611 O SER A 41 0.685 -10.970 4.254 1.00 0.00 O ATOM 612 CB SER A 41 0.576 -13.462 5.930 1.00 0.00 C ATOM 613 OG SER A 41 0.292 -14.408 6.956 1.00 0.00 O ATOM 0 H SER A 41 -2.081 -11.725 4.859 1.00 0.00 H new ATOM 0 HA SER A 41 -0.676 -12.103 7.000 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.514 -13.952 4.958 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.599 -13.103 6.041 1.00 0.00 H new ATOM 0 HG SER A 41 -0.407 -15.023 6.649 1.00 0.00 H new ATOM 619 N PRO A 42 0.439 -10.006 6.320 1.00 0.00 N ATOM 620 CA PRO A 42 1.074 -8.754 5.945 1.00 0.00 C ATOM 621 C PRO A 42 2.592 -8.918 5.844 1.00 0.00 C ATOM 622 O PRO A 42 3.296 -7.985 5.461 1.00 0.00 O ATOM 623 CB PRO A 42 0.653 -7.763 7.019 1.00 0.00 C ATOM 624 CG PRO A 42 0.185 -8.600 8.198 1.00 0.00 C ATOM 625 CD PRO A 42 -0.004 -10.028 7.711 1.00 0.00 C ATOM 0 HA PRO A 42 0.768 -8.406 4.958 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.485 -7.118 7.303 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.145 -7.113 6.660 1.00 0.00 H new ATOM 0 HG2 PRO A 42 0.917 -8.566 9.005 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.749 -8.207 8.598 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.584 -10.729 8.303 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.046 -10.339 7.790 1.00 0.00 H new ATOM 633 N SER A 43 3.051 -10.110 6.195 1.00 0.00 N ATOM 634 CA SER A 43 4.472 -10.407 6.148 1.00 0.00 C ATOM 635 C SER A 43 4.955 -10.430 4.697 1.00 0.00 C ATOM 636 O SER A 43 6.158 -10.427 4.439 1.00 0.00 O ATOM 637 CB SER A 43 4.778 -11.742 6.831 1.00 0.00 C ATOM 638 OG SER A 43 5.793 -11.615 7.823 1.00 0.00 O ATOM 0 H SER A 43 2.464 -10.881 6.513 1.00 0.00 H new ATOM 0 HA SER A 43 5.003 -9.623 6.688 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.869 -12.131 7.290 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.092 -12.469 6.082 1.00 0.00 H new ATOM 0 HG SER A 43 6.594 -12.100 7.535 1.00 0.00 H new ATOM 644 N ASP A 44 3.992 -10.453 3.787 1.00 0.00 N ATOM 645 CA ASP A 44 4.304 -10.477 2.368 1.00 0.00 C ATOM 646 C ASP A 44 5.531 -9.601 2.105 1.00 0.00 C ATOM 647 O ASP A 44 6.306 -9.871 1.189 1.00 0.00 O ATOM 648 CB ASP A 44 3.142 -9.924 1.540 1.00 0.00 C ATOM 649 CG ASP A 44 3.169 -10.301 0.057 1.00 0.00 C ATOM 650 OD1 ASP A 44 3.004 -9.442 -0.823 1.00 0.00 O ATOM 651 OD2 ASP A 44 3.371 -11.552 -0.185 1.00 0.00 O ATOM 0 H ASP A 44 2.996 -10.456 4.005 1.00 0.00 H new ATOM 0 HA ASP A 44 4.492 -11.512 2.081 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.206 -10.278 1.973 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.141 -8.837 1.623 1.00 0.00 H new ATOM 657 N LEU A 45 5.669 -8.570 2.925 1.00 0.00 N ATOM 658 CA LEU A 45 6.788 -7.653 2.793 1.00 0.00 C ATOM 659 C LEU A 45 8.098 -8.441 2.853 1.00 0.00 C ATOM 660 O LEU A 45 9.063 -8.100 2.172 1.00 0.00 O ATOM 661 CB LEU A 45 6.693 -6.538 3.837 1.00 0.00 C ATOM 662 CG LEU A 45 8.022 -6.050 4.419 1.00 0.00 C ATOM 663 CD1 LEU A 45 7.839 -4.730 5.171 1.00 0.00 C ATOM 664 CD2 LEU A 45 8.663 -7.126 5.298 1.00 0.00 C ATOM 0 H LEU A 45 5.024 -8.349 3.684 1.00 0.00 H new ATOM 0 HA LEU A 45 6.759 -7.155 1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.182 -5.687 3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.066 -6.888 4.657 1.00 0.00 H new ATOM 0 HG LEU A 45 8.707 -5.858 3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.798 -4.405 5.575 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.457 -3.972 4.487 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.131 -4.872 5.988 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.606 -6.754 5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.991 -7.372 6.120 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.850 -8.019 4.702 1.00 0.00 H new ATOM 676 N TYR A 46 8.088 -9.481 3.673 1.00 0.00 N ATOM 677 CA TYR A 46 9.263 -10.321 3.830 1.00 0.00 C ATOM 678 C TYR A 46 9.739 -10.858 2.479 1.00 0.00 C ATOM 679 O TYR A 46 10.842 -11.392 2.372 1.00 0.00 O ATOM 680 CB TYR A 46 8.827 -11.497 4.707 1.00 0.00 C ATOM 681 CG TYR A 46 8.844 -11.194 6.207 1.00 0.00 C ATOM 682 CD1 TYR A 46 9.540 -10.101 6.683 1.00 0.00 C ATOM 683 CD2 TYR A 46 8.162 -12.013 7.084 1.00 0.00 C ATOM 684 CE1 TYR A 46 9.555 -9.816 8.094 1.00 0.00 C ATOM 685 CE2 TYR A 46 8.177 -11.728 8.495 1.00 0.00 C ATOM 686 CZ TYR A 46 8.873 -10.643 8.931 1.00 0.00 C ATOM 687 OH TYR A 46 8.887 -10.374 10.264 1.00 0.00 O ATOM 0 H TYR A 46 7.285 -9.761 4.236 1.00 0.00 H new ATOM 0 HA TYR A 46 10.084 -9.753 4.269 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.820 -11.798 4.419 1.00 0.00 H new ATOM 0 HB3 TYR A 46 9.482 -12.346 4.511 1.00 0.00 H new ATOM 0 HD1 TYR A 46 10.073 -9.460 5.997 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.617 -12.868 6.712 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.096 -8.964 8.479 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.648 -12.361 9.192 1.00 0.00 H new ATOM 0 HH TYR A 46 9.125 -11.186 10.759 1.00 0.00 H new ATOM 697 N SER A 47 8.882 -10.698 1.480 1.00 0.00 N ATOM 698 CA SER A 47 9.201 -11.159 0.140 1.00 0.00 C ATOM 699 C SER A 47 9.768 -10.005 -0.690 1.00 0.00 C ATOM 700 O SER A 47 9.384 -8.852 -0.500 1.00 0.00 O ATOM 701 CB SER A 47 7.968 -11.751 -0.546 1.00 0.00 C ATOM 702 OG SER A 47 8.316 -12.544 -1.678 1.00 0.00 O ATOM 0 H SER A 47 7.968 -10.256 1.573 1.00 0.00 H new ATOM 0 HA SER A 47 9.953 -11.945 0.218 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.414 -12.361 0.167 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.305 -10.944 -0.858 1.00 0.00 H new ATOM 0 HG SER A 47 7.502 -12.905 -2.087 1.00 0.00 H new ATOM 708 N PRO A 48 10.696 -10.366 -1.616 1.00 0.00 N ATOM 709 CA PRO A 48 11.320 -9.374 -2.476 1.00 0.00 C ATOM 710 C PRO A 48 10.356 -8.913 -3.571 1.00 0.00 C ATOM 711 O PRO A 48 10.068 -9.661 -4.504 1.00 0.00 O ATOM 712 CB PRO A 48 12.562 -10.056 -3.026 1.00 0.00 C ATOM 713 CG PRO A 48 12.342 -11.546 -2.827 1.00 0.00 C ATOM 714 CD PRO A 48 11.175 -11.722 -1.869 1.00 0.00 C ATOM 0 HA PRO A 48 11.586 -8.462 -1.942 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.703 -9.819 -4.081 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.457 -9.720 -2.502 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.130 -12.031 -3.780 1.00 0.00 H new ATOM 0 HG3 PRO A 48 13.240 -12.014 -2.424 1.00 0.00 H new ATOM 0 HD2 PRO A 48 10.393 -12.343 -2.307 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.490 -12.209 -0.946 1.00 0.00 H new ATOM 722 N GLY A 49 9.883 -7.685 -3.420 1.00 0.00 N ATOM 723 CA GLY A 49 8.957 -7.116 -4.385 1.00 0.00 C ATOM 724 C GLY A 49 7.511 -7.470 -4.032 1.00 0.00 C ATOM 725 O GLY A 49 6.867 -8.243 -4.740 1.00 0.00 O ATOM 0 H GLY A 49 10.123 -7.068 -2.644 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.074 -6.033 -4.411 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.193 -7.486 -5.383 1.00 0.00 H new ATOM 729 N SER A 50 7.043 -6.888 -2.937 1.00 0.00 N ATOM 730 CA SER A 50 5.685 -7.133 -2.482 1.00 0.00 C ATOM 731 C SER A 50 4.778 -5.972 -2.895 1.00 0.00 C ATOM 732 O SER A 50 3.566 -6.023 -2.688 1.00 0.00 O ATOM 733 CB SER A 50 5.640 -7.328 -0.965 1.00 0.00 C ATOM 734 OG SER A 50 5.193 -8.633 -0.608 1.00 0.00 O ATOM 0 H SER A 50 7.580 -6.248 -2.352 1.00 0.00 H new ATOM 0 HA SER A 50 5.327 -8.050 -2.950 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.633 -7.158 -0.548 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.977 -6.584 -0.523 1.00 0.00 H new ATOM 0 HG SER A 50 4.446 -8.893 -1.187 1.00 0.00 H new ATOM 740 N TRP A 51 5.399 -4.954 -3.473 1.00 0.00 N ATOM 741 CA TRP A 51 4.662 -3.783 -3.917 1.00 0.00 C ATOM 742 C TRP A 51 4.308 -3.979 -5.392 1.00 0.00 C ATOM 743 O TRP A 51 3.320 -3.427 -5.875 1.00 0.00 O ATOM 744 CB TRP A 51 5.459 -2.503 -3.658 1.00 0.00 C ATOM 745 CG TRP A 51 5.390 -2.008 -2.212 1.00 0.00 C ATOM 746 CD1 TRP A 51 6.275 -2.212 -1.227 1.00 0.00 C ATOM 747 CD2 TRP A 51 4.338 -1.212 -1.626 1.00 0.00 C ATOM 748 NE1 TRP A 51 5.872 -1.608 -0.053 1.00 0.00 N ATOM 749 CE2 TRP A 51 4.657 -0.981 -0.303 1.00 0.00 C ATOM 750 CE3 TRP A 51 3.156 -0.705 -2.194 1.00 0.00 C ATOM 751 CZ2 TRP A 51 3.846 -0.238 0.563 1.00 0.00 C ATOM 752 CZ3 TRP A 51 2.357 0.036 -1.316 1.00 0.00 C ATOM 753 CH2 TRP A 51 2.663 0.278 0.018 1.00 0.00 C ATOM 0 H TRP A 51 6.404 -4.916 -3.644 1.00 0.00 H new ATOM 0 HA TRP A 51 3.738 -3.670 -3.349 1.00 0.00 H new ATOM 0 HB2 TRP A 51 6.502 -2.677 -3.922 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.090 -1.718 -4.318 1.00 0.00 H new ATOM 0 HD1 TRP A 51 7.188 -2.778 -1.338 1.00 0.00 H new ATOM 0 HE1 TRP A 51 6.374 -1.620 0.835 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.886 -0.874 -3.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.117 -0.072 1.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.437 0.449 -1.703 1.00 0.00 H new ATOM 0 HH2 TRP A 51 1.992 0.861 0.631 1.00 0.00 H new ATOM 764 N ASP A 52 5.133 -4.766 -6.067 1.00 0.00 N ATOM 765 CA ASP A 52 4.919 -5.041 -7.477 1.00 0.00 C ATOM 766 C ASP A 52 3.699 -5.950 -7.635 1.00 0.00 C ATOM 767 O ASP A 52 2.979 -5.861 -8.629 1.00 0.00 O ATOM 768 CB ASP A 52 6.125 -5.758 -8.087 1.00 0.00 C ATOM 769 CG ASP A 52 6.595 -5.203 -9.433 1.00 0.00 C ATOM 770 OD1 ASP A 52 7.202 -5.919 -10.243 1.00 0.00 O ATOM 771 OD2 ASP A 52 6.311 -3.961 -9.640 1.00 0.00 O ATOM 0 H ASP A 52 5.951 -5.222 -5.663 1.00 0.00 H new ATOM 0 HA ASP A 52 4.769 -4.090 -7.987 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.954 -5.708 -7.381 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.877 -6.812 -8.212 1.00 0.00 H new ATOM 777 N PRO A 53 3.498 -6.826 -6.615 1.00 0.00 N ATOM 778 CA PRO A 53 2.377 -7.750 -6.631 1.00 0.00 C ATOM 779 C PRO A 53 1.066 -7.028 -6.315 1.00 0.00 C ATOM 780 O PRO A 53 -0.002 -7.451 -6.755 1.00 0.00 O ATOM 781 CB PRO A 53 2.731 -8.816 -5.607 1.00 0.00 C ATOM 782 CG PRO A 53 3.808 -8.205 -4.725 1.00 0.00 C ATOM 783 CD PRO A 53 4.330 -6.960 -5.423 1.00 0.00 C ATOM 0 HA PRO A 53 2.215 -8.197 -7.612 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.858 -9.098 -5.019 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.093 -9.721 -6.095 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.401 -7.952 -3.746 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.616 -8.918 -4.560 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.247 -6.083 -4.782 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.383 -7.065 -5.685 1.00 0.00 H new ATOM 791 N ILE A 54 1.190 -5.950 -5.554 1.00 0.00 N ATOM 792 CA ILE A 54 0.028 -5.165 -5.173 1.00 0.00 C ATOM 793 C ILE A 54 -0.439 -4.339 -6.373 1.00 0.00 C ATOM 794 O ILE A 54 -1.573 -3.863 -6.400 1.00 0.00 O ATOM 795 CB ILE A 54 0.332 -4.327 -3.930 1.00 0.00 C ATOM 796 CG1 ILE A 54 -0.391 -4.885 -2.702 1.00 0.00 C ATOM 797 CG2 ILE A 54 0.002 -2.852 -4.168 1.00 0.00 C ATOM 798 CD1 ILE A 54 -1.326 -3.838 -2.093 1.00 0.00 C ATOM 0 H ILE A 54 2.077 -5.602 -5.191 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.799 -5.818 -4.894 1.00 0.00 H new ATOM 0 HB ILE A 54 1.402 -4.389 -3.730 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.963 -5.769 -2.983 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.340 -5.202 -1.958 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.227 -2.279 -3.269 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.600 -2.475 -4.998 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.057 -2.750 -4.407 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.827 -4.260 -1.222 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.747 -2.965 -1.791 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.071 -3.542 -2.832 1.00 0.00 H new ATOM 810 N THR A 55 0.460 -4.193 -7.336 1.00 0.00 N ATOM 811 CA THR A 55 0.154 -3.432 -8.535 1.00 0.00 C ATOM 812 C THR A 55 -0.792 -4.223 -9.442 1.00 0.00 C ATOM 813 O THR A 55 -1.864 -3.738 -9.800 1.00 0.00 O ATOM 814 CB THR A 55 1.476 -3.062 -9.211 1.00 0.00 C ATOM 815 OG1 THR A 55 1.746 -1.743 -8.746 1.00 0.00 O ATOM 816 CG2 THR A 55 1.335 -2.903 -10.726 1.00 0.00 C ATOM 0 H THR A 55 1.400 -4.589 -7.310 1.00 0.00 H new ATOM 0 HA THR A 55 -0.373 -2.509 -8.294 1.00 0.00 H new ATOM 0 HB THR A 55 2.221 -3.828 -8.995 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.152 -1.218 -9.468 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.302 -2.640 -11.156 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.988 -3.841 -11.160 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.615 -2.114 -10.944 1.00 0.00 H new ATOM 824 N ALA A 56 -0.359 -5.426 -9.788 1.00 0.00 N ATOM 825 CA ALA A 56 -1.153 -6.289 -10.646 1.00 0.00 C ATOM 826 C ALA A 56 -2.305 -6.886 -9.835 1.00 0.00 C ATOM 827 O ALA A 56 -3.354 -7.214 -10.389 1.00 0.00 O ATOM 828 CB ALA A 56 -0.255 -7.364 -11.262 1.00 0.00 C ATOM 0 H ALA A 56 0.532 -5.824 -9.490 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.588 -5.719 -11.467 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.851 -8.011 -11.905 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.529 -6.889 -11.851 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.197 -7.959 -10.468 1.00 0.00 H new ATOM 834 N ALA A 57 -2.072 -7.009 -8.537 1.00 0.00 N ATOM 835 CA ALA A 57 -3.077 -7.561 -7.645 1.00 0.00 C ATOM 836 C ALA A 57 -4.344 -6.708 -7.721 1.00 0.00 C ATOM 837 O ALA A 57 -5.405 -7.197 -8.107 1.00 0.00 O ATOM 838 CB ALA A 57 -2.512 -7.641 -6.225 1.00 0.00 C ATOM 0 H ALA A 57 -1.201 -6.736 -8.081 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.343 -8.574 -7.947 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.266 -8.055 -5.556 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.631 -8.282 -6.220 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.236 -6.642 -5.886 1.00 0.00 H new ATOM 844 N LEU A 58 -4.193 -5.446 -7.346 1.00 0.00 N ATOM 845 CA LEU A 58 -5.312 -4.519 -7.367 1.00 0.00 C ATOM 846 C LEU A 58 -5.850 -4.409 -8.794 1.00 0.00 C ATOM 847 O LEU A 58 -7.061 -4.434 -9.008 1.00 0.00 O ATOM 848 CB LEU A 58 -4.907 -3.176 -6.756 1.00 0.00 C ATOM 849 CG LEU A 58 -5.776 -2.674 -5.602 1.00 0.00 C ATOM 850 CD1 LEU A 58 -5.639 -1.161 -5.429 1.00 0.00 C ATOM 851 CD2 LEU A 58 -7.234 -3.100 -5.788 1.00 0.00 C ATOM 0 H LEU A 58 -3.312 -5.044 -7.026 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.127 -4.891 -6.747 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.879 -3.256 -6.402 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.915 -2.424 -7.545 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.420 -3.136 -4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.267 -0.831 -4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.599 -0.912 -5.217 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.952 -0.660 -6.345 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.830 -2.730 -4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.618 -2.686 -6.720 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.294 -4.188 -5.823 1.00 0.00 H new ATOM 863 N SER A 59 -4.924 -4.289 -9.734 1.00 0.00 N ATOM 864 CA SER A 59 -5.291 -4.175 -11.136 1.00 0.00 C ATOM 865 C SER A 59 -6.163 -5.363 -11.547 1.00 0.00 C ATOM 866 O SER A 59 -7.113 -5.205 -12.312 1.00 0.00 O ATOM 867 CB SER A 59 -4.049 -4.095 -12.025 1.00 0.00 C ATOM 868 OG SER A 59 -4.344 -3.542 -13.305 1.00 0.00 O ATOM 0 H SER A 59 -3.920 -4.268 -9.553 1.00 0.00 H new ATOM 0 HA SER A 59 -5.859 -3.254 -11.267 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.290 -3.487 -11.533 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.627 -5.092 -12.149 1.00 0.00 H new ATOM 0 HG SER A 59 -3.525 -3.506 -13.842 1.00 0.00 H new ATOM 874 N GLN A 60 -5.808 -6.527 -11.022 1.00 0.00 N ATOM 875 CA GLN A 60 -6.546 -7.741 -11.325 1.00 0.00 C ATOM 876 C GLN A 60 -7.946 -7.678 -10.711 1.00 0.00 C ATOM 877 O GLN A 60 -8.853 -8.382 -11.153 1.00 0.00 O ATOM 878 CB GLN A 60 -5.789 -8.978 -10.839 1.00 0.00 C ATOM 879 CG GLN A 60 -5.341 -9.845 -12.017 1.00 0.00 C ATOM 880 CD GLN A 60 -6.516 -10.157 -12.946 1.00 0.00 C ATOM 881 OE1 GLN A 60 -6.837 -9.410 -13.856 1.00 0.00 O ATOM 882 NE2 GLN A 60 -7.138 -11.299 -12.667 1.00 0.00 N ATOM 0 H GLN A 60 -5.019 -6.655 -10.389 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.649 -7.820 -12.407 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.920 -8.671 -10.257 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.427 -9.562 -10.175 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.558 -9.331 -12.575 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.910 -10.775 -11.646 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -6.818 -11.878 -11.891 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -7.935 -11.596 -13.230 1.00 0.00 H new ATOM 891 N ARG A 61 -8.078 -6.829 -9.703 1.00 0.00 N ATOM 892 CA ARG A 61 -9.352 -6.665 -9.024 1.00 0.00 C ATOM 893 C ARG A 61 -9.900 -5.256 -9.257 1.00 0.00 C ATOM 894 O ARG A 61 -10.821 -5.067 -10.050 1.00 0.00 O ATOM 895 CB ARG A 61 -9.211 -6.908 -7.520 1.00 0.00 C ATOM 896 CG ARG A 61 -9.200 -8.405 -7.205 1.00 0.00 C ATOM 897 CD ARG A 61 -8.074 -8.752 -6.229 1.00 0.00 C ATOM 898 NE ARG A 61 -8.099 -10.200 -5.922 1.00 0.00 N ATOM 899 CZ ARG A 61 -7.602 -11.155 -6.736 1.00 0.00 C ATOM 900 NH1 ARG A 61 -7.037 -10.823 -7.916 1.00 0.00 N ATOM 901 NH2 ARG A 61 -7.678 -12.419 -6.361 1.00 0.00 N ATOM 0 H ARG A 61 -7.323 -6.247 -9.340 1.00 0.00 H new ATOM 0 HA ARG A 61 -10.044 -7.400 -9.435 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.290 -6.450 -7.159 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.035 -6.428 -6.992 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.159 -8.697 -6.778 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.075 -8.973 -8.127 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.111 -8.480 -6.660 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.186 -8.175 -5.311 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.518 -10.494 -5.040 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.983 -9.844 -8.198 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.664 -11.551 -8.525 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.107 -12.661 -5.468 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.307 -13.153 -6.964 1.00 0.00 H new ATOM 914 N ALA A 62 -9.311 -4.302 -8.551 1.00 0.00 N ATOM 915 CA ALA A 62 -9.729 -2.916 -8.670 1.00 0.00 C ATOM 916 C ALA A 62 -11.257 -2.845 -8.653 1.00 0.00 C ATOM 917 O ALA A 62 -11.840 -1.845 -9.069 1.00 0.00 O ATOM 918 CB ALA A 62 -9.131 -2.310 -9.942 1.00 0.00 C ATOM 0 H ALA A 62 -8.547 -4.462 -7.894 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.363 -2.331 -7.826 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.444 -1.270 -10.032 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.043 -2.358 -9.891 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.479 -2.870 -10.810 1.00 0.00 H new ATOM 924 N MET A 63 -11.862 -3.919 -8.168 1.00 0.00 N ATOM 925 CA MET A 63 -13.311 -3.991 -8.091 1.00 0.00 C ATOM 926 C MET A 63 -13.771 -4.274 -6.660 1.00 0.00 C ATOM 927 O MET A 63 -14.904 -3.962 -6.295 1.00 0.00 O ATOM 928 CB MET A 63 -13.817 -5.098 -9.019 1.00 0.00 C ATOM 929 CG MET A 63 -14.143 -4.544 -10.407 1.00 0.00 C ATOM 930 SD MET A 63 -13.325 -5.517 -11.660 1.00 0.00 S ATOM 931 CE MET A 63 -14.743 -6.252 -12.457 1.00 0.00 C ATOM 0 H MET A 63 -11.375 -4.747 -7.824 1.00 0.00 H new ATOM 0 HA MET A 63 -13.721 -3.030 -8.400 1.00 0.00 H new ATOM 0 HB2 MET A 63 -13.062 -5.880 -9.104 1.00 0.00 H new ATOM 0 HB3 MET A 63 -14.706 -5.559 -8.590 1.00 0.00 H new ATOM 0 HG2 MET A 63 -15.221 -4.559 -10.570 1.00 0.00 H new ATOM 0 HG3 MET A 63 -13.824 -3.504 -10.477 1.00 0.00 H new ATOM 0 HE1 MET A 63 -14.410 -6.896 -13.271 1.00 0.00 H new ATOM 0 HE2 MET A 63 -15.302 -6.844 -11.732 1.00 0.00 H new ATOM 0 HE3 MET A 63 -15.384 -5.466 -12.856 1.00 0.00 H new ATOM 941 N ILE A 64 -12.869 -4.862 -5.888 1.00 0.00 N ATOM 942 CA ILE A 64 -13.168 -5.190 -4.504 1.00 0.00 C ATOM 943 C ILE A 64 -12.476 -4.183 -3.584 1.00 0.00 C ATOM 944 O ILE A 64 -12.321 -4.432 -2.390 1.00 0.00 O ATOM 945 CB ILE A 64 -12.802 -6.646 -4.208 1.00 0.00 C ATOM 946 CG1 ILE A 64 -11.518 -7.047 -4.936 1.00 0.00 C ATOM 947 CG2 ILE A 64 -13.966 -7.582 -4.540 1.00 0.00 C ATOM 948 CD1 ILE A 64 -11.138 -8.496 -4.620 1.00 0.00 C ATOM 0 H ILE A 64 -11.931 -5.120 -6.194 1.00 0.00 H new ATOM 0 HA ILE A 64 -14.239 -5.110 -4.316 1.00 0.00 H new ATOM 0 HB ILE A 64 -12.609 -6.740 -3.139 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -11.653 -6.929 -6.011 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -10.706 -6.382 -4.642 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -13.680 -8.611 -4.321 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -14.834 -7.311 -3.939 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -14.215 -7.492 -5.597 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -10.222 -8.756 -5.150 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -10.980 -8.605 -3.547 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -11.942 -9.160 -4.938 1.00 0.00 H new ATOM 960 N LEU A 65 -12.078 -3.066 -4.176 1.00 0.00 N ATOM 961 CA LEU A 65 -11.405 -2.020 -3.424 1.00 0.00 C ATOM 962 C LEU A 65 -12.372 -0.855 -3.204 1.00 0.00 C ATOM 963 O LEU A 65 -13.494 -1.053 -2.741 1.00 0.00 O ATOM 964 CB LEU A 65 -10.102 -1.615 -4.117 1.00 0.00 C ATOM 965 CG LEU A 65 -9.153 -0.736 -3.300 1.00 0.00 C ATOM 966 CD1 LEU A 65 -7.842 -1.468 -3.010 1.00 0.00 C ATOM 967 CD2 LEU A 65 -8.919 0.608 -3.992 1.00 0.00 C ATOM 0 H LEU A 65 -12.209 -2.863 -5.167 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.115 -2.385 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.569 -2.522 -4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.352 -1.088 -5.038 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.623 -0.526 -2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.185 -0.821 -2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.050 -2.377 -2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.355 -1.728 -3.950 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.241 1.214 -3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.480 0.439 -4.975 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.869 1.130 -4.104 1.00 0.00 H new ATOM 979 N GLY A 66 -11.902 0.336 -3.547 1.00 0.00 N ATOM 980 CA GLY A 66 -12.711 1.533 -3.392 1.00 0.00 C ATOM 981 C GLY A 66 -12.581 2.103 -1.978 1.00 0.00 C ATOM 982 O GLY A 66 -13.471 1.922 -1.148 1.00 0.00 O ATOM 0 H GLY A 66 -10.971 0.497 -3.932 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -12.401 2.283 -4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -13.755 1.300 -3.599 1.00 0.00 H new ATOM 986 N LYS A 67 -11.466 2.781 -1.747 1.00 0.00 N ATOM 987 CA LYS A 67 -11.209 3.379 -0.448 1.00 0.00 C ATOM 988 C LYS A 67 -11.212 4.903 -0.584 1.00 0.00 C ATOM 989 O LYS A 67 -10.960 5.616 0.386 1.00 0.00 O ATOM 990 CB LYS A 67 -9.920 2.817 0.154 1.00 0.00 C ATOM 991 CG LYS A 67 -9.766 3.243 1.615 1.00 0.00 C ATOM 992 CD LYS A 67 -9.742 2.026 2.542 1.00 0.00 C ATOM 993 CE LYS A 67 -11.156 1.496 2.788 1.00 0.00 C ATOM 994 NZ LYS A 67 -11.653 1.940 4.109 1.00 0.00 N ATOM 0 H LYS A 67 -10.730 2.929 -2.438 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.001 3.120 0.255 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.928 1.729 0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.063 3.166 -0.422 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.846 3.815 1.736 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.589 3.901 1.894 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.127 1.241 2.102 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.281 2.297 3.492 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.825 1.850 2.003 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.156 0.407 2.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.614 1.572 4.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.023 1.582 4.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.672 2.979 4.142 1.00 0.00 H new ATOM 1007 N SER A 68 -11.499 5.357 -1.795 1.00 0.00 N ATOM 1008 CA SER A 68 -11.538 6.783 -2.069 1.00 0.00 C ATOM 1009 C SER A 68 -11.900 7.024 -3.537 1.00 0.00 C ATOM 1010 O SER A 68 -11.397 7.959 -4.158 1.00 0.00 O ATOM 1011 CB SER A 68 -10.199 7.445 -1.737 1.00 0.00 C ATOM 1012 OG SER A 68 -10.240 8.857 -1.925 1.00 0.00 O ATOM 0 H SER A 68 -11.707 4.762 -2.597 1.00 0.00 H new ATOM 0 HA SER A 68 -12.302 7.232 -1.434 1.00 0.00 H new ATOM 0 HB2 SER A 68 -9.932 7.225 -0.703 1.00 0.00 H new ATOM 0 HB3 SER A 68 -9.418 7.018 -2.366 1.00 0.00 H new ATOM 0 HG SER A 68 -10.692 9.061 -2.770 1.00 0.00 H new ATOM 1018 N GLY A 69 -12.768 6.163 -4.048 1.00 0.00 N ATOM 1019 CA GLY A 69 -13.202 6.271 -5.430 1.00 0.00 C ATOM 1020 C GLY A 69 -13.288 4.892 -6.087 1.00 0.00 C ATOM 1021 O GLY A 69 -14.358 4.286 -6.129 1.00 0.00 O ATOM 0 H GLY A 69 -13.182 5.388 -3.530 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.176 6.759 -5.472 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.506 6.900 -5.985 1.00 0.00 H new ATOM 1025 N GLU A 70 -12.148 4.435 -6.583 1.00 0.00 N ATOM 1026 CA GLU A 70 -12.081 3.138 -7.235 1.00 0.00 C ATOM 1027 C GLU A 70 -10.738 2.466 -6.943 1.00 0.00 C ATOM 1028 O GLU A 70 -10.693 1.288 -6.592 1.00 0.00 O ATOM 1029 CB GLU A 70 -12.312 3.270 -8.742 1.00 0.00 C ATOM 1030 CG GLU A 70 -12.406 1.894 -9.404 1.00 0.00 C ATOM 1031 CD GLU A 70 -11.703 1.890 -10.763 1.00 0.00 C ATOM 1032 OE1 GLU A 70 -11.155 2.922 -11.180 1.00 0.00 O ATOM 1033 OE2 GLU A 70 -11.737 0.765 -11.391 1.00 0.00 O ATOM 0 H GLU A 70 -11.263 4.940 -6.547 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.875 2.509 -6.832 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.229 3.829 -8.925 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.497 3.838 -9.190 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.955 1.143 -8.755 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.453 1.619 -9.531 1.00 0.00 H new ATOM 1041 N LEU A 71 -9.677 3.243 -7.098 1.00 0.00 N ATOM 1042 CA LEU A 71 -8.336 2.738 -6.855 1.00 0.00 C ATOM 1043 C LEU A 71 -7.415 3.903 -6.490 1.00 0.00 C ATOM 1044 O LEU A 71 -6.198 3.807 -6.639 1.00 0.00 O ATOM 1045 CB LEU A 71 -7.848 1.919 -8.052 1.00 0.00 C ATOM 1046 CG LEU A 71 -7.073 0.642 -7.719 1.00 0.00 C ATOM 1047 CD1 LEU A 71 -8.026 -0.498 -7.355 1.00 0.00 C ATOM 1048 CD2 LEU A 71 -6.131 0.259 -8.862 1.00 0.00 C ATOM 0 H LEU A 71 -9.718 4.220 -7.389 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.334 2.053 -6.007 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.712 1.648 -8.658 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.213 2.556 -8.668 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.454 0.836 -6.843 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.450 -1.394 -7.123 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.619 -0.213 -6.486 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.689 -0.701 -8.196 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.592 -0.652 -8.600 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.710 0.089 -9.770 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.418 1.066 -9.032 1.00 0.00 H new ATOM 1060 N LYS A 72 -8.030 4.977 -6.018 1.00 0.00 N ATOM 1061 CA LYS A 72 -7.280 6.160 -5.631 1.00 0.00 C ATOM 1062 C LYS A 72 -6.236 5.774 -4.581 1.00 0.00 C ATOM 1063 O LYS A 72 -5.061 6.113 -4.715 1.00 0.00 O ATOM 1064 CB LYS A 72 -8.229 7.271 -5.176 1.00 0.00 C ATOM 1065 CG LYS A 72 -7.630 8.651 -5.454 1.00 0.00 C ATOM 1066 CD LYS A 72 -8.612 9.528 -6.233 1.00 0.00 C ATOM 1067 CE LYS A 72 -7.911 10.761 -6.807 1.00 0.00 C ATOM 1068 NZ LYS A 72 -6.993 10.373 -7.900 1.00 0.00 N ATOM 0 H LYS A 72 -9.040 5.053 -5.895 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.739 6.566 -6.486 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.183 7.174 -5.694 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.432 7.167 -4.110 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.372 9.136 -4.512 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.705 8.543 -6.021 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.058 8.950 -7.042 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.425 9.840 -5.578 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.652 11.467 -7.180 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.354 11.270 -6.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.789 11.203 -8.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.106 10.010 -7.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.437 9.633 -8.481 1.00 0.00 H new ATOM 1081 N THR A 73 -6.702 5.072 -3.558 1.00 0.00 N ATOM 1082 CA THR A 73 -5.823 4.637 -2.486 1.00 0.00 C ATOM 1083 C THR A 73 -4.629 3.867 -3.054 1.00 0.00 C ATOM 1084 O THR A 73 -3.494 4.072 -2.627 1.00 0.00 O ATOM 1085 CB THR A 73 -6.655 3.822 -1.494 1.00 0.00 C ATOM 1086 OG1 THR A 73 -7.850 3.519 -2.210 1.00 0.00 O ATOM 1087 CG2 THR A 73 -7.135 4.659 -0.306 1.00 0.00 C ATOM 0 H THR A 73 -7.677 4.794 -3.449 1.00 0.00 H new ATOM 0 HA THR A 73 -5.397 5.488 -1.954 1.00 0.00 H new ATOM 0 HB THR A 73 -6.065 2.981 -1.131 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.522 4.210 -2.032 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.720 4.033 0.367 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.274 5.060 0.228 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.753 5.481 -0.666 1.00 0.00 H new ATOM 1095 N TRP A 74 -4.927 2.998 -4.009 1.00 0.00 N ATOM 1096 CA TRP A 74 -3.892 2.197 -4.640 1.00 0.00 C ATOM 1097 C TRP A 74 -2.785 3.141 -5.112 1.00 0.00 C ATOM 1098 O TRP A 74 -1.604 2.801 -5.046 1.00 0.00 O ATOM 1099 CB TRP A 74 -4.472 1.343 -5.770 1.00 0.00 C ATOM 1100 CG TRP A 74 -3.443 0.453 -6.469 1.00 0.00 C ATOM 1101 CD1 TRP A 74 -2.723 -0.546 -5.941 1.00 0.00 C ATOM 1102 CD2 TRP A 74 -3.045 0.523 -7.854 1.00 0.00 C ATOM 1103 NE1 TRP A 74 -1.894 -1.124 -6.881 1.00 0.00 N ATOM 1104 CE2 TRP A 74 -2.096 -0.453 -8.082 1.00 0.00 C ATOM 1105 CE3 TRP A 74 -3.474 1.381 -8.882 1.00 0.00 C ATOM 1106 CZ2 TRP A 74 -1.495 -0.662 -9.329 1.00 0.00 C ATOM 1107 CZ3 TRP A 74 -2.864 1.160 -10.122 1.00 0.00 C ATOM 1108 CH2 TRP A 74 -1.907 0.182 -10.367 1.00 0.00 C ATOM 0 H TRP A 74 -5.870 2.831 -4.361 1.00 0.00 H new ATOM 0 HA TRP A 74 -3.466 1.489 -3.929 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.266 0.715 -5.366 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -4.931 2.000 -6.509 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -2.784 -0.860 -4.909 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -1.251 -1.900 -6.724 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.216 2.150 -8.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -0.754 -1.432 -9.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.157 1.793 -10.946 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -1.483 0.074 -11.354 1.00 0.00 H new ATOM 1119 N GLY A 75 -3.205 4.308 -5.579 1.00 0.00 N ATOM 1120 CA GLY A 75 -2.263 5.304 -6.062 1.00 0.00 C ATOM 1121 C GLY A 75 -1.254 5.677 -4.974 1.00 0.00 C ATOM 1122 O GLY A 75 -0.049 5.689 -5.219 1.00 0.00 O ATOM 0 H GLY A 75 -4.185 4.586 -5.633 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.736 4.918 -6.935 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.803 6.195 -6.383 1.00 0.00 H new ATOM 1126 N LEU A 76 -1.784 5.973 -3.797 1.00 0.00 N ATOM 1127 CA LEU A 76 -0.944 6.346 -2.671 1.00 0.00 C ATOM 1128 C LEU A 76 -0.069 5.155 -2.276 1.00 0.00 C ATOM 1129 O LEU A 76 1.143 5.295 -2.120 1.00 0.00 O ATOM 1130 CB LEU A 76 -1.798 6.890 -1.523 1.00 0.00 C ATOM 1131 CG LEU A 76 -2.539 8.199 -1.800 1.00 0.00 C ATOM 1132 CD1 LEU A 76 -3.942 8.175 -1.189 1.00 0.00 C ATOM 1133 CD2 LEU A 76 -1.725 9.402 -1.319 1.00 0.00 C ATOM 0 H LEU A 76 -2.784 5.962 -3.598 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.271 7.157 -2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.532 6.131 -1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.154 7.037 -0.656 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.659 8.302 -2.878 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.447 9.117 -1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.513 7.353 -1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.867 8.038 -0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.274 10.320 -1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.552 9.319 -0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.768 9.425 -1.840 1.00 0.00 H new ATOM 1145 N VAL A 77 -0.718 4.009 -2.126 1.00 0.00 N ATOM 1146 CA VAL A 77 -0.013 2.795 -1.752 1.00 0.00 C ATOM 1147 C VAL A 77 0.954 2.406 -2.872 1.00 0.00 C ATOM 1148 O VAL A 77 2.146 2.221 -2.631 1.00 0.00 O ATOM 1149 CB VAL A 77 -1.018 1.689 -1.420 1.00 0.00 C ATOM 1150 CG1 VAL A 77 -1.265 0.790 -2.633 1.00 0.00 C ATOM 1151 CG2 VAL A 77 -0.551 0.869 -0.215 1.00 0.00 C ATOM 0 H VAL A 77 -1.723 3.896 -2.257 1.00 0.00 H new ATOM 0 HA VAL A 77 0.580 2.959 -0.853 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.964 2.163 -1.157 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.983 0.013 -2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.662 1.387 -3.454 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.327 0.328 -2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.282 0.090 0.000 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.412 0.411 -0.438 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.450 1.522 0.652 1.00 0.00 H new ATOM 1161 N LEU A 78 0.405 2.294 -4.073 1.00 0.00 N ATOM 1162 CA LEU A 78 1.205 1.931 -5.231 1.00 0.00 C ATOM 1163 C LEU A 78 2.123 3.099 -5.597 1.00 0.00 C ATOM 1164 O LEU A 78 3.346 2.964 -5.566 1.00 0.00 O ATOM 1165 CB LEU A 78 0.306 1.472 -6.380 1.00 0.00 C ATOM 1166 CG LEU A 78 0.803 0.267 -7.181 1.00 0.00 C ATOM 1167 CD1 LEU A 78 2.171 0.551 -7.806 1.00 0.00 C ATOM 1168 CD2 LEU A 78 0.819 -0.996 -6.318 1.00 0.00 C ATOM 0 H LEU A 78 -0.584 2.448 -4.269 1.00 0.00 H new ATOM 0 HA LEU A 78 1.847 1.081 -5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.676 1.232 -5.973 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.171 2.308 -7.066 1.00 0.00 H new ATOM 0 HG LEU A 78 0.105 0.089 -7.999 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.502 -0.321 -8.370 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.094 1.408 -8.475 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.893 0.769 -7.019 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.176 -1.838 -6.911 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.482 -0.846 -5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.189 -1.206 -5.961 1.00 0.00 H new ATOM 1180 N GLY A 79 1.499 4.218 -5.934 1.00 0.00 N ATOM 1181 CA GLY A 79 2.246 5.408 -6.306 1.00 0.00 C ATOM 1182 C GLY A 79 3.534 5.525 -5.489 1.00 0.00 C ATOM 1183 O GLY A 79 4.530 6.065 -5.967 1.00 0.00 O ATOM 0 H GLY A 79 0.485 4.326 -5.957 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.487 5.373 -7.368 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.629 6.293 -6.148 1.00 0.00 H new ATOM 1187 N ALA A 80 3.472 5.009 -4.270 1.00 0.00 N ATOM 1188 CA ALA A 80 4.621 5.049 -3.381 1.00 0.00 C ATOM 1189 C ALA A 80 5.717 4.135 -3.931 1.00 0.00 C ATOM 1190 O ALA A 80 6.867 4.550 -4.065 1.00 0.00 O ATOM 1191 CB ALA A 80 4.188 4.655 -1.968 1.00 0.00 C ATOM 0 H ALA A 80 2.644 4.561 -3.877 1.00 0.00 H new ATOM 0 HA ALA A 80 5.029 6.058 -3.327 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.050 4.685 -1.302 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.430 5.352 -1.612 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.775 3.646 -1.982 1.00 0.00 H new ATOM 1197 N LEU A 81 5.322 2.907 -4.234 1.00 0.00 N ATOM 1198 CA LEU A 81 6.257 1.930 -4.766 1.00 0.00 C ATOM 1199 C LEU A 81 6.978 2.527 -5.977 1.00 0.00 C ATOM 1200 O LEU A 81 8.185 2.350 -6.135 1.00 0.00 O ATOM 1201 CB LEU A 81 5.541 0.611 -5.065 1.00 0.00 C ATOM 1202 CG LEU A 81 6.265 -0.344 -6.017 1.00 0.00 C ATOM 1203 CD1 LEU A 81 7.450 -1.017 -5.323 1.00 0.00 C ATOM 1204 CD2 LEU A 81 5.293 -1.365 -6.612 1.00 0.00 C ATOM 0 H LEU A 81 4.367 2.566 -4.121 1.00 0.00 H new ATOM 0 HA LEU A 81 7.021 1.691 -4.026 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.369 0.092 -4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.562 0.839 -5.486 1.00 0.00 H new ATOM 0 HG LEU A 81 6.667 0.239 -6.846 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.947 -1.690 -6.022 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.155 -0.256 -4.988 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.094 -1.585 -4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.832 -2.032 -7.285 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.841 -1.948 -5.809 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.512 -0.844 -7.166 1.00 0.00 H new ATOM 1216 N LYS A 82 6.207 3.221 -6.801 1.00 0.00 N ATOM 1217 CA LYS A 82 6.757 3.845 -7.993 1.00 0.00 C ATOM 1218 C LYS A 82 7.678 4.996 -7.582 1.00 0.00 C ATOM 1219 O LYS A 82 8.575 5.375 -8.332 1.00 0.00 O ATOM 1220 CB LYS A 82 5.634 4.265 -8.944 1.00 0.00 C ATOM 1221 CG LYS A 82 5.095 3.062 -9.721 1.00 0.00 C ATOM 1222 CD LYS A 82 4.949 1.842 -8.811 1.00 0.00 C ATOM 1223 CE LYS A 82 4.378 0.649 -9.580 1.00 0.00 C ATOM 1224 NZ LYS A 82 5.362 0.147 -10.564 1.00 0.00 N ATOM 0 H LYS A 82 5.206 3.365 -6.667 1.00 0.00 H new ATOM 0 HA LYS A 82 7.366 3.133 -8.550 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.826 4.728 -8.377 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.005 5.016 -9.641 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.128 3.311 -10.159 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.768 2.826 -10.546 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.920 1.578 -8.392 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.296 2.085 -7.973 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.113 -0.147 -8.884 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.462 0.943 -10.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.031 -0.758 -10.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.468 0.839 -11.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.280 0.007 -10.096 1.00 0.00 H new ATOM 1237 N ALA A 83 7.423 5.519 -6.392 1.00 0.00 N ATOM 1238 CA ALA A 83 8.218 6.619 -5.872 1.00 0.00 C ATOM 1239 C ALA A 83 9.628 6.117 -5.554 1.00 0.00 C ATOM 1240 O ALA A 83 10.604 6.844 -5.733 1.00 0.00 O ATOM 1241 CB ALA A 83 7.522 7.219 -4.649 1.00 0.00 C ATOM 0 H ALA A 83 6.677 5.202 -5.773 1.00 0.00 H new ATOM 0 HA ALA A 83 8.310 7.411 -6.615 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.118 8.044 -4.259 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.537 7.587 -4.935 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.414 6.454 -3.880 1.00 0.00 H new ATOM 1247 N ALA A 84 9.689 4.879 -5.087 1.00 0.00 N ATOM 1248 CA ALA A 84 10.964 4.272 -4.742 1.00 0.00 C ATOM 1249 C ALA A 84 11.815 4.131 -6.005 1.00 0.00 C ATOM 1250 O ALA A 84 12.973 4.544 -6.027 1.00 0.00 O ATOM 1251 CB ALA A 84 10.719 2.929 -4.050 1.00 0.00 C ATOM 0 H ALA A 84 8.877 4.280 -4.939 1.00 0.00 H new ATOM 0 HA ALA A 84 11.514 4.903 -4.044 1.00 0.00 H new ATOM 0 HB1 ALA A 84 11.675 2.473 -3.791 1.00 0.00 H new ATOM 0 HB2 ALA A 84 10.135 3.088 -3.143 1.00 0.00 H new ATOM 0 HB3 ALA A 84 10.172 2.268 -4.722 1.00 0.00 H new ATOM 1257 N ARG A 85 11.208 3.545 -7.027 1.00 0.00 N ATOM 1258 CA ARG A 85 11.896 3.344 -8.291 1.00 0.00 C ATOM 1259 C ARG A 85 12.214 4.691 -8.942 1.00 0.00 C ATOM 1260 O ARG A 85 13.088 4.778 -9.804 1.00 0.00 O ATOM 1261 CB ARG A 85 11.049 2.507 -9.252 1.00 0.00 C ATOM 1262 CG ARG A 85 11.699 1.146 -9.512 1.00 0.00 C ATOM 1263 CD ARG A 85 13.074 1.311 -10.163 1.00 0.00 C ATOM 1264 NE ARG A 85 14.107 0.649 -9.336 1.00 0.00 N ATOM 1265 CZ ARG A 85 14.312 -0.685 -9.305 1.00 0.00 C ATOM 1266 NH1 ARG A 85 13.554 -1.512 -10.056 1.00 0.00 N ATOM 1267 NH2 ARG A 85 15.264 -1.169 -8.529 1.00 0.00 N ATOM 0 H ARG A 85 10.247 3.203 -7.005 1.00 0.00 H new ATOM 0 HA ARG A 85 12.823 2.810 -8.083 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.052 2.364 -8.834 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.926 3.041 -10.194 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.800 0.602 -8.573 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.056 0.549 -10.159 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.066 0.880 -11.164 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.308 2.370 -10.274 1.00 0.00 H new ATOM 0 HE ARG A 85 14.702 1.238 -8.753 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.820 -1.130 -10.653 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.715 -2.519 -10.027 1.00 0.00 H new ATOM 0 HH21 ARG A 85 15.832 -0.537 -7.964 1.00 0.00 H new ATOM 0 HH22 ARG A 85 15.432 -2.175 -8.494 1.00 0.00 H new ATOM 1280 N GLU A 86 11.486 5.709 -8.507 1.00 0.00 N ATOM 1281 CA GLU A 86 11.679 7.048 -9.037 1.00 0.00 C ATOM 1282 C GLU A 86 12.806 7.759 -8.285 1.00 0.00 C ATOM 1283 O GLU A 86 13.791 8.180 -8.890 1.00 0.00 O ATOM 1284 CB GLU A 86 10.382 7.856 -8.972 1.00 0.00 C ATOM 1285 CG GLU A 86 9.636 7.804 -10.306 1.00 0.00 C ATOM 1286 CD GLU A 86 8.675 8.987 -10.444 1.00 0.00 C ATOM 1287 OE1 GLU A 86 8.944 10.070 -9.904 1.00 0.00 O ATOM 1288 OE2 GLU A 86 7.618 8.752 -11.144 1.00 0.00 O ATOM 0 H GLU A 86 10.761 5.633 -7.793 1.00 0.00 H new ATOM 0 HA GLU A 86 11.964 6.965 -10.086 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.745 7.464 -8.179 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.607 8.892 -8.717 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.352 7.815 -11.128 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.080 6.869 -10.380 1.00 0.00 H new ATOM 1296 N GLU A 87 12.624 7.871 -6.978 1.00 0.00 N ATOM 1297 CA GLU A 87 13.613 8.524 -6.137 1.00 0.00 C ATOM 1298 C GLU A 87 13.825 9.970 -6.592 1.00 0.00 C ATOM 1299 O GLU A 87 14.831 10.283 -7.227 1.00 0.00 O ATOM 1300 CB GLU A 87 14.932 7.749 -6.140 1.00 0.00 C ATOM 1301 CG GLU A 87 15.432 7.513 -4.713 1.00 0.00 C ATOM 1302 CD GLU A 87 16.471 6.390 -4.675 1.00 0.00 C ATOM 1303 OE1 GLU A 87 16.341 5.400 -5.410 1.00 0.00 O ATOM 1304 OE2 GLU A 87 17.442 6.573 -3.846 1.00 0.00 O ATOM 0 H GLU A 87 11.806 7.520 -6.480 1.00 0.00 H new ATOM 0 HA GLU A 87 13.240 8.537 -5.113 1.00 0.00 H new ATOM 0 HB2 GLU A 87 14.795 6.792 -6.644 1.00 0.00 H new ATOM 0 HB3 GLU A 87 15.682 8.302 -6.705 1.00 0.00 H new ATOM 0 HG2 GLU A 87 15.869 8.431 -4.320 1.00 0.00 H new ATOM 0 HG3 GLU A 87 14.592 7.258 -4.067 1.00 0.00 H new TER 1312 GLU A 87