USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 581 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 13 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.062) USER MOD Set 1.2: A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.766 (180deg=-0.442) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 7 TYR OH : rot -44:sc= -2.01! USER MOD Single : A 9 THR OG1 : rot -170:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 50:sc= -3.87! USER MOD Single : A 15 GLN : amide:sc= -4.14 K(o=-4.1,f=-10!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.664 K(o=-0.66,f=-1.6) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 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 42 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -124:sc= -2.67! (180deg=-5.62!) USER MOD Single : A 68 SER OG : rot 180:sc= -0.378 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 154:sc= -0.0886 (180deg=-0.574) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.586 -10.229 -8.552 1.00 0.00 N ATOM 2 CA MET A 1 4.229 -8.891 -8.492 1.00 0.00 C ATOM 3 C MET A 1 3.193 -7.790 -8.286 1.00 0.00 C ATOM 4 O MET A 1 2.816 -7.106 -9.237 1.00 0.00 O ATOM 5 CB MET A 1 4.989 -8.662 -9.801 1.00 0.00 C ATOM 6 CG MET A 1 6.116 -9.654 -10.032 1.00 0.00 C ATOM 7 SD MET A 1 7.400 -9.004 -11.119 1.00 0.00 S ATOM 8 CE MET A 1 8.821 -9.939 -10.559 1.00 0.00 C ATOM 0 H1 MET A 1 3.964 -10.760 -9.363 1.00 0.00 H new ATOM 0 H2 MET A 1 3.785 -10.750 -7.674 1.00 0.00 H new ATOM 0 H3 MET A 1 2.558 -10.116 -8.661 1.00 0.00 H new ATOM 0 HA MET A 1 4.914 -8.858 -7.645 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.288 -8.721 -10.633 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.399 -7.652 -9.801 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.559 -9.924 -9.074 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.708 -10.568 -10.464 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.698 -9.649 -11.137 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.998 -9.734 -9.503 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.632 -11.004 -10.695 1.00 0.00 H new ATOM 20 N MET A 2 2.728 -7.615 -7.047 1.00 0.00 N ATOM 21 CA MET A 2 1.732 -6.581 -6.767 1.00 0.00 C ATOM 22 C MET A 2 2.394 -5.219 -6.559 1.00 0.00 C ATOM 23 O MET A 2 3.084 -4.997 -5.565 1.00 0.00 O ATOM 24 CB MET A 2 0.890 -6.953 -5.542 1.00 0.00 C ATOM 25 CG MET A 2 0.529 -8.429 -5.473 1.00 0.00 C ATOM 26 SD MET A 2 -0.292 -9.015 -6.969 1.00 0.00 S ATOM 27 CE MET A 2 -1.990 -8.567 -6.620 1.00 0.00 C ATOM 0 H MET A 2 3.018 -8.164 -6.238 1.00 0.00 H new ATOM 0 HA MET A 2 1.075 -6.513 -7.634 1.00 0.00 H new ATOM 0 HB2 MET A 2 1.437 -6.679 -4.640 1.00 0.00 H new ATOM 0 HB3 MET A 2 -0.027 -6.364 -5.550 1.00 0.00 H new ATOM 0 HG2 MET A 2 1.434 -9.013 -5.308 1.00 0.00 H new ATOM 0 HG3 MET A 2 -0.122 -8.600 -4.615 1.00 0.00 H new ATOM 0 HE1 MET A 2 -2.624 -8.865 -7.455 1.00 0.00 H new ATOM 0 HE2 MET A 2 -2.321 -9.074 -5.714 1.00 0.00 H new ATOM 0 HE3 MET A 2 -2.060 -7.489 -6.478 1.00 0.00 H new ATOM 37 N LYS A 3 2.177 -4.303 -7.501 1.00 0.00 N ATOM 38 CA LYS A 3 2.755 -2.966 -7.409 1.00 0.00 C ATOM 39 C LYS A 3 2.058 -2.160 -6.326 1.00 0.00 C ATOM 40 O LYS A 3 0.962 -1.635 -6.528 1.00 0.00 O ATOM 41 CB LYS A 3 2.650 -2.244 -8.750 1.00 0.00 C ATOM 42 CG LYS A 3 3.985 -2.077 -9.458 1.00 0.00 C ATOM 43 CD LYS A 3 3.836 -1.306 -10.759 1.00 0.00 C ATOM 44 CE LYS A 3 3.897 -2.227 -11.968 1.00 0.00 C ATOM 45 NZ LYS A 3 2.594 -2.285 -12.686 1.00 0.00 N ATOM 0 H LYS A 3 1.608 -4.462 -8.332 1.00 0.00 H new ATOM 0 HA LYS A 3 3.809 -3.066 -7.148 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.971 -2.797 -9.399 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.208 -1.261 -8.590 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.682 -1.555 -8.803 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.414 -3.058 -9.663 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.887 -0.769 -10.758 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.625 -0.558 -10.831 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.673 -1.880 -12.650 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.180 -3.230 -11.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.676 -2.923 -13.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.858 -2.640 -12.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.336 -1.333 -13.014 1.00 0.00 H new ATOM 59 N ILE A 4 2.705 -2.074 -5.178 1.00 0.00 N ATOM 60 CA ILE A 4 2.161 -1.341 -4.045 1.00 0.00 C ATOM 61 C ILE A 4 2.794 0.046 -3.935 1.00 0.00 C ATOM 62 O ILE A 4 3.992 0.178 -3.677 1.00 0.00 O ATOM 63 CB ILE A 4 2.370 -2.127 -2.729 1.00 0.00 C ATOM 64 CG1 ILE A 4 1.268 -3.172 -2.559 1.00 0.00 C ATOM 65 CG2 ILE A 4 2.400 -1.195 -1.528 1.00 0.00 C ATOM 66 CD1 ILE A 4 1.428 -4.378 -3.460 1.00 0.00 C ATOM 0 H ILE A 4 3.613 -2.505 -5.003 1.00 0.00 H new ATOM 0 HA ILE A 4 1.091 -1.220 -4.212 1.00 0.00 H new ATOM 0 HB ILE A 4 3.335 -2.631 -2.787 1.00 0.00 H new ATOM 0 HG12 ILE A 4 1.252 -3.505 -1.521 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.303 -2.706 -2.759 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.548 -1.778 -0.619 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.218 -0.483 -1.640 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.455 -0.655 -1.463 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.609 -5.076 -3.283 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.413 -4.058 -4.502 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.377 -4.870 -3.245 1.00 0.00 H new ATOM 78 N GLN A 5 1.975 1.075 -4.129 1.00 0.00 N ATOM 79 CA GLN A 5 2.443 2.454 -4.048 1.00 0.00 C ATOM 80 C GLN A 5 2.050 3.073 -2.710 1.00 0.00 C ATOM 81 O GLN A 5 0.865 3.159 -2.386 1.00 0.00 O ATOM 82 CB GLN A 5 1.858 3.278 -5.199 1.00 0.00 C ATOM 83 CG GLN A 5 2.627 3.134 -6.503 1.00 0.00 C ATOM 84 CD GLN A 5 1.799 2.499 -7.602 1.00 0.00 C ATOM 85 OE1 GLN A 5 1.546 3.113 -8.639 1.00 0.00 O ATOM 86 NE2 GLN A 5 1.370 1.261 -7.380 1.00 0.00 N ATOM 0 H GLN A 5 0.982 0.979 -4.344 1.00 0.00 H new ATOM 0 HA GLN A 5 3.530 2.456 -4.127 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.823 2.976 -5.362 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.842 4.329 -4.911 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.966 4.117 -6.831 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.518 2.531 -6.330 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.603 0.789 -6.506 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.808 0.782 -8.083 1.00 0.00 H new ATOM 95 N ILE A 6 3.046 3.495 -1.930 1.00 0.00 N ATOM 96 CA ILE A 6 2.787 4.092 -0.625 1.00 0.00 C ATOM 97 C ILE A 6 2.968 5.605 -0.655 1.00 0.00 C ATOM 98 O ILE A 6 4.092 6.104 -0.617 1.00 0.00 O ATOM 99 CB ILE A 6 3.718 3.497 0.448 1.00 0.00 C ATOM 100 CG1 ILE A 6 3.727 1.970 0.361 1.00 0.00 C ATOM 101 CG2 ILE A 6 3.290 3.952 1.834 1.00 0.00 C ATOM 102 CD1 ILE A 6 2.353 1.350 0.482 1.00 0.00 C ATOM 0 H ILE A 6 4.033 3.434 -2.180 1.00 0.00 H new ATOM 0 HA ILE A 6 1.751 3.865 -0.374 1.00 0.00 H new ATOM 0 HB ILE A 6 4.731 3.857 0.266 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.169 1.671 -0.589 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.367 1.573 1.149 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.958 3.523 2.580 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.335 5.040 1.890 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.270 3.620 2.027 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.436 0.265 0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.916 1.619 1.444 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.716 1.718 -0.322 1.00 0.00 H new ATOM 114 N TYR A 7 1.856 6.335 -0.716 1.00 0.00 N ATOM 115 CA TYR A 7 1.906 7.791 -0.741 1.00 0.00 C ATOM 116 C TYR A 7 1.849 8.357 0.672 1.00 0.00 C ATOM 117 O TYR A 7 0.788 8.400 1.297 1.00 0.00 O ATOM 118 CB TYR A 7 0.763 8.353 -1.590 1.00 0.00 C ATOM 119 CG TYR A 7 0.734 7.812 -3.009 1.00 0.00 C ATOM 120 CD1 TYR A 7 1.559 8.325 -4.008 1.00 0.00 C ATOM 121 CD2 TYR A 7 -0.122 6.772 -3.345 1.00 0.00 C ATOM 122 CE1 TYR A 7 1.521 7.813 -5.293 1.00 0.00 C ATOM 123 CE2 TYR A 7 -0.163 6.255 -4.623 1.00 0.00 C ATOM 124 CZ TYR A 7 0.660 6.779 -5.594 1.00 0.00 C ATOM 125 OH TYR A 7 0.626 6.267 -6.871 1.00 0.00 O ATOM 0 H TYR A 7 0.915 5.942 -0.749 1.00 0.00 H new ATOM 0 HA TYR A 7 2.852 8.092 -1.192 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.185 8.124 -1.104 1.00 0.00 H new ATOM 0 HB3 TYR A 7 0.849 9.439 -1.626 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.237 9.133 -3.776 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.771 6.358 -2.588 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.164 8.222 -6.058 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -0.836 5.445 -4.860 1.00 0.00 H new ATOM 0 HH TYR A 7 0.639 7.002 -7.519 1.00 0.00 H new ATOM 135 N GLY A 8 3.006 8.786 1.166 1.00 0.00 N ATOM 136 CA GLY A 8 3.090 9.343 2.503 1.00 0.00 C ATOM 137 C GLY A 8 4.508 9.323 3.038 1.00 0.00 C ATOM 138 O GLY A 8 5.231 10.312 2.927 1.00 0.00 O ATOM 0 H GLY A 8 3.891 8.757 0.661 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.721 10.369 2.492 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.442 8.778 3.173 1.00 0.00 H new ATOM 142 N THR A 9 4.907 8.187 3.612 1.00 0.00 N ATOM 143 CA THR A 9 6.251 8.018 4.168 1.00 0.00 C ATOM 144 C THR A 9 6.725 9.267 4.909 1.00 0.00 C ATOM 145 O THR A 9 7.257 10.198 4.304 1.00 0.00 O ATOM 146 CB THR A 9 7.278 7.662 3.073 1.00 0.00 C ATOM 147 OG1 THR A 9 8.608 7.784 3.590 1.00 0.00 O ATOM 148 CG2 THR A 9 7.119 8.564 1.857 1.00 0.00 C ATOM 0 H THR A 9 4.313 7.363 3.704 1.00 0.00 H new ATOM 0 HA THR A 9 6.183 7.193 4.878 1.00 0.00 H new ATOM 0 HB THR A 9 7.098 6.632 2.765 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.252 7.712 2.855 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.856 8.290 1.102 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.117 8.446 1.445 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.271 9.602 2.152 1.00 0.00 H new ATOM 156 N GLY A 10 6.526 9.278 6.222 1.00 0.00 N ATOM 157 CA GLY A 10 6.936 10.415 7.026 1.00 0.00 C ATOM 158 C GLY A 10 5.751 11.198 7.554 1.00 0.00 C ATOM 159 O GLY A 10 5.548 11.290 8.765 1.00 0.00 O ATOM 0 H GLY A 10 6.088 8.520 6.745 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.542 10.067 7.863 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.567 11.073 6.428 1.00 0.00 H new ATOM 163 N CYS A 11 4.963 11.754 6.642 1.00 0.00 N ATOM 164 CA CYS A 11 3.784 12.526 7.017 1.00 0.00 C ATOM 165 C CYS A 11 2.572 11.613 7.167 1.00 0.00 C ATOM 166 O CYS A 11 1.676 11.876 7.969 1.00 0.00 O ATOM 167 CB CYS A 11 3.499 13.606 5.971 1.00 0.00 C ATOM 168 SG CYS A 11 2.640 15.057 6.623 1.00 0.00 S ATOM 0 H CYS A 11 5.119 11.685 5.636 1.00 0.00 H new ATOM 0 HA CYS A 11 3.980 13.007 7.975 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.442 13.925 5.527 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.900 13.172 5.170 1.00 0.00 H new ATOM 0 HG CYS A 11 2.446 15.914 5.665 1.00 0.00 H new ATOM 174 N ALA A 12 2.554 10.534 6.389 1.00 0.00 N ATOM 175 CA ALA A 12 1.458 9.574 6.432 1.00 0.00 C ATOM 176 C ALA A 12 1.923 8.246 7.025 1.00 0.00 C ATOM 177 O ALA A 12 2.988 7.738 6.675 1.00 0.00 O ATOM 178 CB ALA A 12 0.885 9.370 5.036 1.00 0.00 C ATOM 0 H ALA A 12 3.289 10.303 5.720 1.00 0.00 H new ATOM 0 HA ALA A 12 0.673 9.972 7.076 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.067 8.651 5.080 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.513 10.320 4.653 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.665 8.993 4.374 1.00 0.00 H new ATOM 184 N ASN A 13 1.118 7.692 7.929 1.00 0.00 N ATOM 185 CA ASN A 13 1.444 6.423 8.580 1.00 0.00 C ATOM 186 C ASN A 13 1.206 5.220 7.661 1.00 0.00 C ATOM 187 O ASN A 13 1.160 4.081 8.127 1.00 0.00 O ATOM 188 CB ASN A 13 0.620 6.266 9.861 1.00 0.00 C ATOM 189 CG ASN A 13 1.450 6.479 11.112 1.00 0.00 C ATOM 190 OD1 ASN A 13 1.363 5.706 12.067 1.00 0.00 O ATOM 191 ND2 ASN A 13 2.259 7.531 11.114 1.00 0.00 N ATOM 0 H ASN A 13 0.233 8.102 8.228 1.00 0.00 H new ATOM 0 HA ASN A 13 2.507 6.446 8.821 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.204 6.979 9.849 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.179 5.270 9.886 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.841 7.725 11.929 1.00 0.00 H new ATOM 0 HD22 ASN A 13 2.299 8.145 10.301 1.00 0.00 H new ATOM 198 N CYS A 14 1.053 5.467 6.362 1.00 0.00 N ATOM 199 CA CYS A 14 0.817 4.385 5.403 1.00 0.00 C ATOM 200 C CYS A 14 1.943 3.349 5.437 1.00 0.00 C ATOM 201 O CYS A 14 1.767 2.216 4.991 1.00 0.00 O ATOM 202 CB CYS A 14 0.675 4.945 3.983 1.00 0.00 C ATOM 203 SG CYS A 14 1.914 6.188 3.548 1.00 0.00 S ATOM 0 H CYS A 14 1.087 6.399 5.949 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.112 3.892 5.691 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.738 4.121 3.272 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.317 5.384 3.875 1.00 0.00 H new ATOM 0 HG CYS A 14 3.099 5.739 3.837 1.00 0.00 H new ATOM 209 N GLN A 15 3.098 3.748 5.959 1.00 0.00 N ATOM 210 CA GLN A 15 4.254 2.868 6.046 1.00 0.00 C ATOM 211 C GLN A 15 3.935 1.598 6.839 1.00 0.00 C ATOM 212 O GLN A 15 4.625 0.584 6.707 1.00 0.00 O ATOM 213 CB GLN A 15 5.417 3.645 6.677 1.00 0.00 C ATOM 214 CG GLN A 15 5.800 3.195 8.082 1.00 0.00 C ATOM 215 CD GLN A 15 4.703 3.450 9.098 1.00 0.00 C ATOM 216 OE1 GLN A 15 4.194 2.521 9.726 1.00 0.00 O ATOM 217 NE2 GLN A 15 4.334 4.715 9.266 1.00 0.00 N ATOM 0 H GLN A 15 3.257 4.684 6.331 1.00 0.00 H new ATOM 0 HA GLN A 15 4.536 2.544 5.044 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.290 3.553 6.031 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.154 4.702 6.709 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.035 2.131 8.067 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.705 3.717 8.392 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.783 5.453 8.724 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.602 4.948 9.937 1.00 0.00 H new ATOM 226 N MET A 16 2.892 1.656 7.663 1.00 0.00 N ATOM 227 CA MET A 16 2.496 0.508 8.473 1.00 0.00 C ATOM 228 C MET A 16 2.068 -0.657 7.590 1.00 0.00 C ATOM 229 O MET A 16 2.690 -1.720 7.604 1.00 0.00 O ATOM 230 CB MET A 16 1.359 0.894 9.421 1.00 0.00 C ATOM 231 CG MET A 16 1.838 1.374 10.782 1.00 0.00 C ATOM 232 SD MET A 16 0.761 0.842 12.126 1.00 0.00 S ATOM 233 CE MET A 16 1.194 2.027 13.398 1.00 0.00 C ATOM 0 H MET A 16 2.308 2.483 7.787 1.00 0.00 H new ATOM 0 HA MET A 16 3.358 0.195 9.062 1.00 0.00 H new ATOM 0 HB2 MET A 16 0.762 1.679 8.958 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.704 0.034 9.558 1.00 0.00 H new ATOM 0 HG2 MET A 16 2.846 1.000 10.960 1.00 0.00 H new ATOM 0 HG3 MET A 16 1.897 2.462 10.779 1.00 0.00 H new ATOM 0 HE1 MET A 16 0.609 1.827 14.296 1.00 0.00 H new ATOM 0 HE2 MET A 16 2.255 1.940 13.630 1.00 0.00 H new ATOM 0 HE3 MET A 16 0.982 3.036 13.043 1.00 0.00 H new ATOM 243 N LEU A 17 1.009 -0.454 6.813 1.00 0.00 N ATOM 244 CA LEU A 17 0.516 -1.493 5.920 1.00 0.00 C ATOM 245 C LEU A 17 1.556 -1.821 4.853 1.00 0.00 C ATOM 246 O LEU A 17 1.542 -2.904 4.272 1.00 0.00 O ATOM 247 CB LEU A 17 -0.793 -1.061 5.259 1.00 0.00 C ATOM 248 CG LEU A 17 -1.598 -2.198 4.624 1.00 0.00 C ATOM 249 CD1 LEU A 17 -2.595 -2.772 5.622 1.00 0.00 C ATOM 250 CD2 LEU A 17 -2.309 -1.713 3.367 1.00 0.00 C ATOM 0 H LEU A 17 0.479 0.417 6.784 1.00 0.00 H new ATOM 0 HA LEU A 17 0.328 -2.388 6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.415 -0.567 6.006 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.569 -0.321 4.491 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.907 -2.992 4.340 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.157 -3.579 5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.060 -3.160 6.489 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.282 -1.989 5.941 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.876 -2.535 2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.988 -0.900 3.624 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.572 -1.357 2.647 1.00 0.00 H new ATOM 262 N GLU A 18 2.461 -0.877 4.601 1.00 0.00 N ATOM 263 CA GLU A 18 3.516 -1.083 3.595 1.00 0.00 C ATOM 264 C GLU A 18 4.318 -2.340 3.917 1.00 0.00 C ATOM 265 O GLU A 18 4.462 -3.228 3.076 1.00 0.00 O ATOM 266 CB GLU A 18 4.474 0.121 3.490 1.00 0.00 C ATOM 267 CG GLU A 18 5.591 -0.088 2.479 1.00 0.00 C ATOM 268 CD GLU A 18 6.533 1.098 2.400 1.00 0.00 C ATOM 269 OE1 GLU A 18 6.959 1.590 3.465 1.00 0.00 O ATOM 270 OE2 GLU A 18 6.844 1.534 1.272 1.00 0.00 O ATOM 0 H GLU A 18 2.491 0.029 5.069 1.00 0.00 H new ATOM 0 HA GLU A 18 3.015 -1.195 2.633 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.904 1.008 3.213 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.911 0.316 4.469 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.157 -0.980 2.747 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.157 -0.269 1.496 1.00 0.00 H new ATOM 277 N LYS A 19 4.842 -2.409 5.138 1.00 0.00 N ATOM 278 CA LYS A 19 5.631 -3.559 5.564 1.00 0.00 C ATOM 279 C LYS A 19 4.771 -4.819 5.624 1.00 0.00 C ATOM 280 O LYS A 19 5.164 -5.877 5.129 1.00 0.00 O ATOM 281 CB LYS A 19 6.268 -3.291 6.929 1.00 0.00 C ATOM 282 CG LYS A 19 7.753 -3.617 6.982 1.00 0.00 C ATOM 283 CD LYS A 19 8.069 -4.628 8.073 1.00 0.00 C ATOM 284 CE LYS A 19 9.563 -4.712 8.338 1.00 0.00 C ATOM 285 NZ LYS A 19 10.012 -3.693 9.327 1.00 0.00 N ATOM 0 H LYS A 19 4.734 -1.684 5.847 1.00 0.00 H new ATOM 0 HA LYS A 19 6.421 -3.718 4.830 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.125 -2.242 7.188 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.748 -3.879 7.685 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.074 -4.011 6.017 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.320 -2.703 7.158 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.551 -4.349 8.990 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.694 -5.609 7.781 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.811 -5.708 8.706 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.106 -4.573 7.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.037 -3.785 9.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.799 -2.741 8.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.514 -3.840 10.228 1.00 0.00 H new ATOM 299 N ASN A 20 3.595 -4.699 6.232 1.00 0.00 N ATOM 300 CA ASN A 20 2.677 -5.830 6.354 1.00 0.00 C ATOM 301 C ASN A 20 2.378 -6.437 4.987 1.00 0.00 C ATOM 302 O ASN A 20 2.496 -7.647 4.791 1.00 0.00 O ATOM 303 CB ASN A 20 1.371 -5.394 7.023 1.00 0.00 C ATOM 304 CG ASN A 20 1.606 -4.519 8.240 1.00 0.00 C ATOM 305 OD1 ASN A 20 2.694 -4.517 8.816 1.00 0.00 O ATOM 306 ND2 ASN A 20 0.585 -3.770 8.637 1.00 0.00 N ATOM 0 H ASN A 20 3.254 -3.832 6.648 1.00 0.00 H new ATOM 0 HA ASN A 20 3.159 -6.586 6.975 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.760 -4.851 6.301 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.805 -6.278 7.318 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.685 -3.161 9.449 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.299 -3.803 8.130 1.00 0.00 H new ATOM 313 N ALA A 21 1.985 -5.585 4.047 1.00 0.00 N ATOM 314 CA ALA A 21 1.660 -6.022 2.696 1.00 0.00 C ATOM 315 C ALA A 21 2.824 -6.766 2.045 1.00 0.00 C ATOM 316 O ALA A 21 2.618 -7.719 1.295 1.00 0.00 O ATOM 317 CB ALA A 21 1.266 -4.827 1.848 1.00 0.00 C ATOM 0 H ALA A 21 1.884 -4.581 4.198 1.00 0.00 H new ATOM 0 HA ALA A 21 0.822 -6.716 2.763 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.024 -5.161 0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.395 -4.340 2.288 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.095 -4.120 1.808 1.00 0.00 H new ATOM 323 N ARG A 22 4.047 -6.321 2.321 1.00 0.00 N ATOM 324 CA ARG A 22 5.233 -6.947 1.746 1.00 0.00 C ATOM 325 C ARG A 22 5.293 -8.429 2.091 1.00 0.00 C ATOM 326 O ARG A 22 5.524 -9.270 1.223 1.00 0.00 O ATOM 327 CB ARG A 22 6.501 -6.244 2.247 1.00 0.00 C ATOM 328 CG ARG A 22 6.934 -5.075 1.378 1.00 0.00 C ATOM 329 CD ARG A 22 8.044 -4.275 2.039 1.00 0.00 C ATOM 330 NE ARG A 22 9.185 -5.113 2.398 1.00 0.00 N ATOM 331 CZ ARG A 22 10.106 -4.769 3.295 1.00 0.00 C ATOM 332 NH1 ARG A 22 10.026 -3.604 3.926 1.00 0.00 N ATOM 333 NH2 ARG A 22 11.109 -5.594 3.563 1.00 0.00 N ATOM 0 H ARG A 22 4.242 -5.532 2.937 1.00 0.00 H new ATOM 0 HA ARG A 22 5.172 -6.849 0.662 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.331 -5.887 3.263 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.313 -6.969 2.296 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.276 -5.445 0.411 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.080 -4.426 1.187 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.373 -3.485 1.364 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.656 -3.788 2.934 1.00 0.00 H new ATOM 0 HE ARG A 22 9.282 -6.016 1.933 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.256 -2.967 3.724 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.735 -3.346 4.612 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.174 -6.491 3.082 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.816 -5.332 4.250 1.00 0.00 H new ATOM 347 N GLU A 23 5.090 -8.744 3.365 1.00 0.00 N ATOM 348 CA GLU A 23 5.133 -10.130 3.817 1.00 0.00 C ATOM 349 C GLU A 23 3.904 -10.903 3.344 1.00 0.00 C ATOM 350 O GLU A 23 4.026 -11.987 2.783 1.00 0.00 O ATOM 351 CB GLU A 23 5.240 -10.190 5.346 1.00 0.00 C ATOM 352 CG GLU A 23 5.056 -11.586 5.922 1.00 0.00 C ATOM 353 CD GLU A 23 5.867 -11.807 7.185 1.00 0.00 C ATOM 354 OE1 GLU A 23 5.752 -10.982 8.116 1.00 0.00 O ATOM 355 OE2 GLU A 23 6.617 -12.804 7.241 1.00 0.00 O ATOM 0 H GLU A 23 4.895 -8.063 4.099 1.00 0.00 H new ATOM 0 HA GLU A 23 6.016 -10.598 3.381 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.216 -9.809 5.647 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.491 -9.527 5.779 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.000 -11.749 6.139 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.346 -12.325 5.175 1.00 0.00 H new ATOM 362 N ALA A 24 2.722 -10.344 3.580 1.00 0.00 N ATOM 363 CA ALA A 24 1.475 -10.996 3.184 1.00 0.00 C ATOM 364 C ALA A 24 1.403 -11.229 1.680 1.00 0.00 C ATOM 365 O ALA A 24 1.121 -12.340 1.232 1.00 0.00 O ATOM 366 CB ALA A 24 0.282 -10.178 3.652 1.00 0.00 C ATOM 0 H ALA A 24 2.599 -9.443 4.042 1.00 0.00 H new ATOM 0 HA ALA A 24 1.450 -11.974 3.665 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.640 -10.675 3.351 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.307 -10.087 4.738 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.323 -9.185 3.203 1.00 0.00 H new ATOM 372 N VAL A 25 1.649 -10.183 0.897 1.00 0.00 N ATOM 373 CA VAL A 25 1.595 -10.302 -0.556 1.00 0.00 C ATOM 374 C VAL A 25 2.494 -11.447 -1.037 1.00 0.00 C ATOM 375 O VAL A 25 2.029 -12.363 -1.715 1.00 0.00 O ATOM 376 CB VAL A 25 1.973 -8.958 -1.254 1.00 0.00 C ATOM 377 CG1 VAL A 25 3.479 -8.767 -1.356 1.00 0.00 C ATOM 378 CG2 VAL A 25 1.330 -8.880 -2.629 1.00 0.00 C ATOM 0 H VAL A 25 1.886 -9.252 1.240 1.00 0.00 H new ATOM 0 HA VAL A 25 0.567 -10.534 -0.835 1.00 0.00 H new ATOM 0 HB VAL A 25 1.589 -8.148 -0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.693 -7.818 -1.849 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.914 -8.763 -0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.911 -9.583 -1.936 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.602 -7.938 -3.105 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.680 -9.710 -3.242 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.246 -8.936 -2.528 1.00 0.00 H new ATOM 388 N LYS A 26 3.770 -11.401 -0.665 1.00 0.00 N ATOM 389 CA LYS A 26 4.718 -12.442 -1.045 1.00 0.00 C ATOM 390 C LYS A 26 4.380 -13.770 -0.365 1.00 0.00 C ATOM 391 O LYS A 26 4.297 -14.810 -1.022 1.00 0.00 O ATOM 392 CB LYS A 26 6.141 -12.024 -0.657 1.00 0.00 C ATOM 393 CG LYS A 26 6.674 -10.843 -1.451 1.00 0.00 C ATOM 394 CD LYS A 26 7.661 -10.024 -0.634 1.00 0.00 C ATOM 395 CE LYS A 26 7.624 -8.555 -1.022 1.00 0.00 C ATOM 396 NZ LYS A 26 8.802 -8.168 -1.846 1.00 0.00 N ATOM 0 H LYS A 26 4.171 -10.653 -0.100 1.00 0.00 H new ATOM 0 HA LYS A 26 4.654 -12.575 -2.125 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.159 -11.774 0.404 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.809 -12.874 -0.796 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.160 -11.202 -2.358 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.844 -10.209 -1.764 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.430 -10.127 0.426 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.668 -10.415 -0.781 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.709 -8.349 -1.578 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.594 -7.942 -0.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.739 -7.159 -2.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.674 -8.340 -1.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.817 -8.734 -2.718 1.00 0.00 H new ATOM 410 N GLU A 27 4.189 -13.727 0.956 1.00 0.00 N ATOM 411 CA GLU A 27 3.867 -14.924 1.737 1.00 0.00 C ATOM 412 C GLU A 27 2.682 -15.673 1.142 1.00 0.00 C ATOM 413 O GLU A 27 2.721 -16.895 0.995 1.00 0.00 O ATOM 414 CB GLU A 27 3.567 -14.554 3.191 1.00 0.00 C ATOM 415 CG GLU A 27 3.272 -15.753 4.078 1.00 0.00 C ATOM 416 CD GLU A 27 2.346 -15.409 5.228 1.00 0.00 C ATOM 417 OE1 GLU A 27 1.117 -15.354 5.006 1.00 0.00 O ATOM 418 OE2 GLU A 27 2.848 -15.195 6.351 1.00 0.00 O ATOM 0 H GLU A 27 4.252 -12.872 1.509 1.00 0.00 H new ATOM 0 HA GLU A 27 4.738 -15.579 1.706 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.418 -14.010 3.601 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.714 -13.876 3.216 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.822 -16.544 3.477 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.208 -16.147 4.474 1.00 0.00 H new ATOM 425 N LEU A 28 1.633 -14.936 0.789 1.00 0.00 N ATOM 426 CA LEU A 28 0.444 -15.539 0.198 1.00 0.00 C ATOM 427 C LEU A 28 0.820 -16.400 -1.007 1.00 0.00 C ATOM 428 O LEU A 28 0.053 -17.266 -1.429 1.00 0.00 O ATOM 429 CB LEU A 28 -0.552 -14.455 -0.221 1.00 0.00 C ATOM 430 CG LEU A 28 -1.719 -14.244 0.745 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.567 -15.503 0.837 1.00 0.00 C ATOM 432 CD2 LEU A 28 -1.206 -13.843 2.119 1.00 0.00 C ATOM 0 H LEU A 28 1.582 -13.924 0.902 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.025 -16.176 0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.016 -13.512 -0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.953 -14.710 -1.202 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.343 -13.436 0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.393 -15.336 1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.963 -15.748 -0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.954 -16.329 1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.049 -13.697 2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.560 -14.629 2.510 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.640 -12.915 2.039 1.00 0.00 H new ATOM 444 N GLY A 29 2.009 -16.157 -1.552 1.00 0.00 N ATOM 445 CA GLY A 29 2.475 -16.914 -2.698 1.00 0.00 C ATOM 446 C GLY A 29 2.597 -16.064 -3.947 1.00 0.00 C ATOM 447 O GLY A 29 2.600 -16.585 -5.061 1.00 0.00 O ATOM 0 H GLY A 29 2.659 -15.446 -1.218 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.444 -17.356 -2.467 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.787 -17.738 -2.889 1.00 0.00 H new ATOM 451 N ILE A 30 2.705 -14.751 -3.759 1.00 0.00 N ATOM 452 CA ILE A 30 2.831 -13.827 -4.880 1.00 0.00 C ATOM 453 C ILE A 30 3.685 -12.623 -4.499 1.00 0.00 C ATOM 454 O ILE A 30 3.272 -11.784 -3.700 1.00 0.00 O ATOM 455 CB ILE A 30 1.460 -13.312 -5.377 1.00 0.00 C ATOM 456 CG1 ILE A 30 0.337 -14.310 -5.055 1.00 0.00 C ATOM 457 CG2 ILE A 30 1.515 -13.027 -6.870 1.00 0.00 C ATOM 458 CD1 ILE A 30 0.306 -15.517 -5.969 1.00 0.00 C ATOM 0 H ILE A 30 2.708 -14.305 -2.842 1.00 0.00 H new ATOM 0 HA ILE A 30 3.306 -14.390 -5.683 1.00 0.00 H new ATOM 0 HB ILE A 30 1.236 -12.384 -4.851 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.450 -14.649 -4.025 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.622 -13.795 -5.117 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.544 -12.665 -7.207 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.273 -12.269 -7.068 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.767 -13.942 -7.406 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.514 -16.173 -5.677 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.160 -15.190 -6.999 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.249 -16.058 -5.890 1.00 0.00 H new ATOM 470 N ASP A 31 4.871 -12.537 -5.081 1.00 0.00 N ATOM 471 CA ASP A 31 5.774 -11.433 -4.809 1.00 0.00 C ATOM 472 C ASP A 31 5.173 -10.125 -5.300 1.00 0.00 C ATOM 473 O ASP A 31 4.241 -10.124 -6.099 1.00 0.00 O ATOM 474 CB ASP A 31 7.129 -11.678 -5.481 1.00 0.00 C ATOM 475 CG ASP A 31 8.255 -11.833 -4.477 1.00 0.00 C ATOM 476 OD1 ASP A 31 8.777 -10.801 -4.005 1.00 0.00 O ATOM 477 OD2 ASP A 31 8.615 -12.987 -4.162 1.00 0.00 O ATOM 0 H ASP A 31 5.230 -13.221 -5.747 1.00 0.00 H new ATOM 0 HA ASP A 31 5.925 -11.365 -3.732 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.069 -12.576 -6.096 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.355 -10.848 -6.150 1.00 0.00 H new ATOM 482 N ALA A 32 5.709 -9.014 -4.813 1.00 0.00 N ATOM 483 CA ALA A 32 5.238 -7.703 -5.197 1.00 0.00 C ATOM 484 C ALA A 32 6.387 -6.719 -5.146 1.00 0.00 C ATOM 485 O ALA A 32 7.543 -7.112 -4.992 1.00 0.00 O ATOM 486 CB ALA A 32 4.107 -7.264 -4.286 1.00 0.00 C ATOM 0 H ALA A 32 6.479 -9.003 -4.144 1.00 0.00 H new ATOM 0 HA ALA A 32 4.853 -7.739 -6.216 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.761 -6.275 -4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.283 -7.974 -4.360 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.463 -7.227 -3.256 1.00 0.00 H new ATOM 492 N GLU A 33 6.077 -5.442 -5.258 1.00 0.00 N ATOM 493 CA GLU A 33 7.104 -4.424 -5.205 1.00 0.00 C ATOM 494 C GLU A 33 6.591 -3.206 -4.460 1.00 0.00 C ATOM 495 O GLU A 33 5.660 -2.538 -4.908 1.00 0.00 O ATOM 496 CB GLU A 33 7.557 -4.034 -6.612 1.00 0.00 C ATOM 497 CG GLU A 33 6.407 -3.758 -7.567 1.00 0.00 C ATOM 498 CD GLU A 33 6.818 -3.880 -9.021 1.00 0.00 C ATOM 499 OE1 GLU A 33 7.510 -2.968 -9.521 1.00 0.00 O ATOM 500 OE2 GLU A 33 6.447 -4.886 -9.661 1.00 0.00 O ATOM 0 H GLU A 33 5.129 -5.088 -5.385 1.00 0.00 H new ATOM 0 HA GLU A 33 7.964 -4.830 -4.672 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.187 -3.147 -6.549 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.174 -4.834 -7.021 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.594 -4.455 -7.363 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.020 -2.755 -7.385 1.00 0.00 H new ATOM 507 N PHE A 34 7.182 -2.933 -3.307 1.00 0.00 N ATOM 508 CA PHE A 34 6.756 -1.807 -2.495 1.00 0.00 C ATOM 509 C PHE A 34 7.736 -0.652 -2.556 1.00 0.00 C ATOM 510 O PHE A 34 8.835 -0.709 -2.003 1.00 0.00 O ATOM 511 CB PHE A 34 6.540 -2.262 -1.057 1.00 0.00 C ATOM 512 CG PHE A 34 5.556 -3.386 -0.971 1.00 0.00 C ATOM 513 CD1 PHE A 34 5.885 -4.644 -1.446 1.00 0.00 C ATOM 514 CD2 PHE A 34 4.293 -3.180 -0.451 1.00 0.00 C ATOM 515 CE1 PHE A 34 4.973 -5.675 -1.403 1.00 0.00 C ATOM 516 CE2 PHE A 34 3.377 -4.207 -0.402 1.00 0.00 C ATOM 517 CZ PHE A 34 3.714 -5.457 -0.881 1.00 0.00 C ATOM 0 H PHE A 34 7.954 -3.473 -2.915 1.00 0.00 H new ATOM 0 HA PHE A 34 5.814 -1.439 -2.901 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.491 -2.578 -0.629 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.185 -1.422 -0.460 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.869 -4.819 -1.855 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.021 -2.203 -0.079 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.242 -6.652 -1.777 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.394 -4.034 0.011 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.995 -6.262 -0.847 1.00 0.00 H new ATOM 527 N GLU A 35 7.304 0.406 -3.223 1.00 0.00 N ATOM 528 CA GLU A 35 8.101 1.613 -3.363 1.00 0.00 C ATOM 529 C GLU A 35 7.279 2.816 -2.928 1.00 0.00 C ATOM 530 O GLU A 35 6.109 2.938 -3.291 1.00 0.00 O ATOM 531 CB GLU A 35 8.566 1.784 -4.810 1.00 0.00 C ATOM 532 CG GLU A 35 7.433 1.742 -5.822 1.00 0.00 C ATOM 533 CD GLU A 35 7.901 2.045 -7.233 1.00 0.00 C ATOM 534 OE1 GLU A 35 8.716 1.266 -7.768 1.00 0.00 O ATOM 535 OE2 GLU A 35 7.451 3.063 -7.801 1.00 0.00 O ATOM 0 H GLU A 35 6.394 0.452 -3.681 1.00 0.00 H new ATOM 0 HA GLU A 35 8.984 1.532 -2.729 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.091 2.735 -4.904 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.283 0.999 -5.048 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.968 0.756 -5.801 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.667 2.462 -5.535 1.00 0.00 H new ATOM 542 N LYS A 36 7.881 3.696 -2.142 1.00 0.00 N ATOM 543 CA LYS A 36 7.174 4.873 -1.662 1.00 0.00 C ATOM 544 C LYS A 36 7.117 5.948 -2.737 1.00 0.00 C ATOM 545 O LYS A 36 7.941 5.975 -3.652 1.00 0.00 O ATOM 546 CB LYS A 36 7.827 5.421 -0.397 1.00 0.00 C ATOM 547 CG LYS A 36 8.263 4.341 0.581 1.00 0.00 C ATOM 548 CD LYS A 36 9.777 4.284 0.724 1.00 0.00 C ATOM 549 CE LYS A 36 10.219 4.624 2.139 1.00 0.00 C ATOM 550 NZ LYS A 36 11.642 4.260 2.379 1.00 0.00 N ATOM 0 H LYS A 36 8.848 3.619 -1.826 1.00 0.00 H new ATOM 0 HA LYS A 36 6.154 4.574 -1.421 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.695 6.018 -0.676 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.127 6.090 0.103 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.813 4.530 1.556 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.893 3.373 0.242 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.131 3.287 0.461 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.236 4.980 0.022 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.083 5.691 2.315 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.585 4.099 2.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.904 4.508 3.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.768 3.238 2.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.250 4.780 1.715 1.00 0.00 H new ATOM 564 N ILE A 37 6.121 6.816 -2.629 1.00 0.00 N ATOM 565 CA ILE A 37 5.920 7.884 -3.597 1.00 0.00 C ATOM 566 C ILE A 37 5.844 9.238 -2.897 1.00 0.00 C ATOM 567 O ILE A 37 4.757 9.766 -2.661 1.00 0.00 O ATOM 568 CB ILE A 37 4.627 7.651 -4.422 1.00 0.00 C ATOM 569 CG1 ILE A 37 3.851 6.438 -3.884 1.00 0.00 C ATOM 570 CG2 ILE A 37 4.955 7.450 -5.891 1.00 0.00 C ATOM 571 CD1 ILE A 37 4.585 5.126 -4.057 1.00 0.00 C ATOM 0 H ILE A 37 5.435 6.800 -1.874 1.00 0.00 H new ATOM 0 HA ILE A 37 6.773 7.880 -4.275 1.00 0.00 H new ATOM 0 HB ILE A 37 4.001 8.538 -4.324 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.642 6.591 -2.825 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.889 6.377 -4.393 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.034 7.288 -6.451 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.462 8.335 -6.275 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.605 6.582 -6.003 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.979 4.314 -3.655 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.771 4.950 -5.117 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.535 5.167 -3.524 1.00 0.00 H new ATOM 583 N LYS A 38 7.006 9.790 -2.559 1.00 0.00 N ATOM 584 CA LYS A 38 7.069 11.076 -1.877 1.00 0.00 C ATOM 585 C LYS A 38 6.950 12.229 -2.866 1.00 0.00 C ATOM 586 O LYS A 38 7.934 12.894 -3.188 1.00 0.00 O ATOM 587 CB LYS A 38 8.376 11.195 -1.090 1.00 0.00 C ATOM 588 CG LYS A 38 8.470 12.463 -0.256 1.00 0.00 C ATOM 589 CD LYS A 38 7.448 12.469 0.870 1.00 0.00 C ATOM 590 CE LYS A 38 6.799 13.833 1.028 1.00 0.00 C ATOM 591 NZ LYS A 38 5.774 13.841 2.108 1.00 0.00 N ATOM 0 H LYS A 38 7.915 9.366 -2.747 1.00 0.00 H new ATOM 0 HA LYS A 38 6.228 11.131 -1.185 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.476 10.330 -0.434 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.214 11.165 -1.786 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.473 12.551 0.162 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.313 13.332 -0.895 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.681 11.721 0.670 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.933 12.186 1.804 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.565 14.576 1.250 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.335 14.125 0.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.356 14.790 2.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.029 13.151 1.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.221 13.587 3.012 1.00 0.00 H new ATOM 605 N GLU A 39 5.730 12.459 -3.338 1.00 0.00 N ATOM 606 CA GLU A 39 5.457 13.539 -4.291 1.00 0.00 C ATOM 607 C GLU A 39 4.014 13.472 -4.782 1.00 0.00 C ATOM 608 O GLU A 39 3.594 12.463 -5.346 1.00 0.00 O ATOM 609 CB GLU A 39 6.420 13.460 -5.481 1.00 0.00 C ATOM 610 CG GLU A 39 7.389 14.629 -5.557 1.00 0.00 C ATOM 611 CD GLU A 39 6.715 15.918 -5.985 1.00 0.00 C ATOM 612 OE1 GLU A 39 6.121 15.941 -7.084 1.00 0.00 O ATOM 613 OE2 GLU A 39 6.781 16.904 -5.223 1.00 0.00 O ATOM 0 H GLU A 39 4.909 11.912 -3.078 1.00 0.00 H new ATOM 0 HA GLU A 39 5.607 14.490 -3.779 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.988 12.532 -5.418 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.842 13.418 -6.404 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.855 14.773 -4.583 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.187 14.390 -6.260 1.00 0.00 H new ATOM 620 N MET A 40 3.254 14.551 -4.571 1.00 0.00 N ATOM 621 CA MET A 40 1.858 14.594 -4.994 1.00 0.00 C ATOM 622 C MET A 40 1.724 14.258 -6.471 1.00 0.00 C ATOM 623 O MET A 40 0.728 13.667 -6.887 1.00 0.00 O ATOM 624 CB MET A 40 1.252 15.968 -4.709 1.00 0.00 C ATOM 625 CG MET A 40 -0.268 15.984 -4.742 1.00 0.00 C ATOM 626 SD MET A 40 -1.000 16.020 -3.095 1.00 0.00 S ATOM 627 CE MET A 40 -2.735 16.207 -3.499 1.00 0.00 C ATOM 0 H MET A 40 3.583 15.400 -4.112 1.00 0.00 H new ATOM 0 HA MET A 40 1.312 13.844 -4.422 1.00 0.00 H new ATOM 0 HB2 MET A 40 1.589 16.308 -3.730 1.00 0.00 H new ATOM 0 HB3 MET A 40 1.630 16.681 -5.441 1.00 0.00 H new ATOM 0 HG2 MET A 40 -0.606 16.855 -5.304 1.00 0.00 H new ATOM 0 HG3 MET A 40 -0.625 15.102 -5.274 1.00 0.00 H new ATOM 0 HE1 MET A 40 -3.320 16.245 -2.580 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.880 17.130 -4.061 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.061 15.360 -4.102 1.00 0.00 H new ATOM 637 N ASP A 41 2.736 14.610 -7.259 1.00 0.00 N ATOM 638 CA ASP A 41 2.710 14.307 -8.685 1.00 0.00 C ATOM 639 C ASP A 41 2.401 12.829 -8.868 1.00 0.00 C ATOM 640 O ASP A 41 1.658 12.435 -9.768 1.00 0.00 O ATOM 641 CB ASP A 41 4.052 14.653 -9.334 1.00 0.00 C ATOM 642 CG ASP A 41 4.051 16.033 -9.964 1.00 0.00 C ATOM 643 OD1 ASP A 41 3.727 17.008 -9.255 1.00 0.00 O ATOM 644 OD2 ASP A 41 4.375 16.137 -11.166 1.00 0.00 O ATOM 0 H ASP A 41 3.573 15.098 -6.940 1.00 0.00 H new ATOM 0 HA ASP A 41 1.939 14.907 -9.168 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.840 14.600 -8.583 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.287 13.909 -10.095 1.00 0.00 H new ATOM 649 N GLN A 42 2.963 12.022 -7.974 1.00 0.00 N ATOM 650 CA GLN A 42 2.742 10.587 -7.985 1.00 0.00 C ATOM 651 C GLN A 42 1.485 10.241 -7.189 1.00 0.00 C ATOM 652 O GLN A 42 0.766 9.301 -7.523 1.00 0.00 O ATOM 653 CB GLN A 42 3.952 9.856 -7.399 1.00 0.00 C ATOM 654 CG GLN A 42 5.288 10.443 -7.828 1.00 0.00 C ATOM 655 CD GLN A 42 5.575 10.219 -9.300 1.00 0.00 C ATOM 656 OE1 GLN A 42 5.433 9.108 -9.810 1.00 0.00 O ATOM 657 NE2 GLN A 42 5.983 11.278 -9.990 1.00 0.00 N ATOM 0 H GLN A 42 3.579 12.345 -7.228 1.00 0.00 H new ATOM 0 HA GLN A 42 2.606 10.265 -9.018 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.888 9.879 -6.311 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.913 8.809 -7.698 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.295 11.513 -7.618 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.085 9.996 -7.234 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.087 12.180 -9.526 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.193 11.189 -10.984 1.00 0.00 H new ATOM 666 N ILE A 43 1.234 11.009 -6.125 1.00 0.00 N ATOM 667 CA ILE A 43 0.070 10.780 -5.272 1.00 0.00 C ATOM 668 C ILE A 43 -1.227 10.897 -6.061 1.00 0.00 C ATOM 669 O ILE A 43 -2.045 9.980 -6.080 1.00 0.00 O ATOM 670 CB ILE A 43 0.031 11.762 -4.081 1.00 0.00 C ATOM 671 CG1 ILE A 43 1.355 11.733 -3.318 1.00 0.00 C ATOM 672 CG2 ILE A 43 -1.115 11.417 -3.145 1.00 0.00 C ATOM 673 CD1 ILE A 43 1.401 12.696 -2.152 1.00 0.00 C ATOM 0 H ILE A 43 1.821 11.792 -5.836 1.00 0.00 H new ATOM 0 HA ILE A 43 0.164 9.765 -4.886 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.125 12.767 -4.473 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.532 10.722 -2.951 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.167 11.969 -4.006 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.128 12.119 -2.311 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.059 11.480 -3.687 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.982 10.404 -2.765 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.369 12.622 -1.657 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.256 13.714 -2.515 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.611 12.447 -1.443 1.00 0.00 H new ATOM 685 N LEU A 44 -1.398 12.028 -6.715 1.00 0.00 N ATOM 686 CA LEU A 44 -2.594 12.282 -7.513 1.00 0.00 C ATOM 687 C LEU A 44 -2.699 11.295 -8.673 1.00 0.00 C ATOM 688 O LEU A 44 -3.789 10.833 -9.008 1.00 0.00 O ATOM 689 CB LEU A 44 -2.603 13.735 -8.017 1.00 0.00 C ATOM 690 CG LEU A 44 -2.196 13.952 -9.481 1.00 0.00 C ATOM 691 CD1 LEU A 44 -2.635 15.328 -9.955 1.00 0.00 C ATOM 692 CD2 LEU A 44 -0.693 13.785 -9.649 1.00 0.00 C ATOM 0 H LEU A 44 -0.724 12.793 -6.713 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.468 12.136 -6.878 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.606 14.139 -7.878 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.934 14.320 -7.386 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.695 13.200 -10.092 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.339 15.466 -10.995 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.719 15.413 -9.872 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.163 16.093 -9.339 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.424 13.943 -10.693 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.174 14.514 -9.027 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.403 12.779 -9.347 1.00 0.00 H new ATOM 704 N GLU A 45 -1.560 10.970 -9.277 1.00 0.00 N ATOM 705 CA GLU A 45 -1.532 10.030 -10.393 1.00 0.00 C ATOM 706 C GLU A 45 -2.165 8.702 -9.990 1.00 0.00 C ATOM 707 O GLU A 45 -2.659 7.956 -10.836 1.00 0.00 O ATOM 708 CB GLU A 45 -0.096 9.804 -10.864 1.00 0.00 C ATOM 709 CG GLU A 45 0.011 9.419 -12.330 1.00 0.00 C ATOM 710 CD GLU A 45 1.225 8.558 -12.620 1.00 0.00 C ATOM 711 OE1 GLU A 45 1.113 7.319 -12.510 1.00 0.00 O ATOM 712 OE2 GLU A 45 2.287 9.123 -12.957 1.00 0.00 O ATOM 0 H GLU A 45 -0.647 11.342 -9.014 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.108 10.457 -11.214 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.481 10.713 -10.693 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.357 9.020 -10.257 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.890 8.882 -12.627 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.058 10.323 -12.937 1.00 0.00 H new ATOM 719 N ALA A 46 -2.160 8.424 -8.691 1.00 0.00 N ATOM 720 CA ALA A 46 -2.747 7.199 -8.170 1.00 0.00 C ATOM 721 C ALA A 46 -4.263 7.295 -8.203 1.00 0.00 C ATOM 722 O ALA A 46 -4.956 6.307 -8.443 1.00 0.00 O ATOM 723 CB ALA A 46 -2.259 6.937 -6.751 1.00 0.00 C ATOM 0 H ALA A 46 -1.755 9.033 -7.980 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.435 6.364 -8.798 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.708 6.017 -6.376 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.174 6.837 -6.752 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.546 7.769 -6.108 1.00 0.00 H new ATOM 729 N GLY A 47 -4.772 8.501 -7.969 1.00 0.00 N ATOM 730 CA GLY A 47 -6.204 8.713 -7.987 1.00 0.00 C ATOM 731 C GLY A 47 -6.787 8.976 -6.610 1.00 0.00 C ATOM 732 O GLY A 47 -7.972 9.287 -6.488 1.00 0.00 O ATOM 0 H GLY A 47 -4.217 9.333 -7.768 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.432 9.557 -8.638 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.689 7.837 -8.419 1.00 0.00 H new ATOM 736 N LEU A 48 -5.967 8.851 -5.569 1.00 0.00 N ATOM 737 CA LEU A 48 -6.442 9.082 -4.208 1.00 0.00 C ATOM 738 C LEU A 48 -6.517 10.572 -3.883 1.00 0.00 C ATOM 739 O LEU A 48 -5.887 11.398 -4.543 1.00 0.00 O ATOM 740 CB LEU A 48 -5.570 8.346 -3.173 1.00 0.00 C ATOM 741 CG LEU A 48 -4.066 8.684 -3.112 1.00 0.00 C ATOM 742 CD1 LEU A 48 -3.228 7.503 -3.570 1.00 0.00 C ATOM 743 CD2 LEU A 48 -3.710 9.931 -3.911 1.00 0.00 C ATOM 0 H LEU A 48 -4.982 8.594 -5.640 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.451 8.675 -4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.994 8.535 -2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.663 7.276 -3.360 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.838 8.899 -2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.171 7.765 -3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.422 6.647 -2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.489 7.248 -4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.640 10.120 -3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.976 9.781 -4.957 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.260 10.785 -3.516 1.00 0.00 H new ATOM 755 N THR A 49 -7.295 10.905 -2.858 1.00 0.00 N ATOM 756 CA THR A 49 -7.458 12.292 -2.438 1.00 0.00 C ATOM 757 C THR A 49 -6.824 12.520 -1.074 1.00 0.00 C ATOM 758 O THR A 49 -6.343 13.611 -0.769 1.00 0.00 O ATOM 759 CB THR A 49 -8.943 12.699 -2.382 1.00 0.00 C ATOM 760 OG1 THR A 49 -9.060 14.072 -1.990 1.00 0.00 O ATOM 761 CG2 THR A 49 -9.712 11.822 -1.408 1.00 0.00 C ATOM 0 H THR A 49 -7.823 10.232 -2.302 1.00 0.00 H new ATOM 0 HA THR A 49 -6.956 12.911 -3.182 1.00 0.00 H new ATOM 0 HB THR A 49 -9.369 12.566 -3.377 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.007 14.324 -1.958 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.757 12.131 -1.388 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.647 10.781 -1.726 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.284 11.924 -0.411 1.00 0.00 H new ATOM 769 N ALA A 50 -6.818 11.473 -0.266 1.00 0.00 N ATOM 770 CA ALA A 50 -6.236 11.529 1.066 1.00 0.00 C ATOM 771 C ALA A 50 -4.717 11.448 0.981 1.00 0.00 C ATOM 772 O ALA A 50 -4.157 11.401 -0.115 1.00 0.00 O ATOM 773 CB ALA A 50 -6.783 10.401 1.926 1.00 0.00 C ATOM 0 H ALA A 50 -7.213 10.566 -0.512 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.506 12.479 1.528 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.340 10.454 2.920 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.866 10.497 2.006 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.536 9.443 1.469 1.00 0.00 H new ATOM 779 N LEU A 51 -4.049 11.442 2.128 1.00 0.00 N ATOM 780 CA LEU A 51 -2.594 11.377 2.139 1.00 0.00 C ATOM 781 C LEU A 51 -2.088 9.937 2.123 1.00 0.00 C ATOM 782 O LEU A 51 -1.411 9.532 1.178 1.00 0.00 O ATOM 783 CB LEU A 51 -2.022 12.142 3.335 1.00 0.00 C ATOM 784 CG LEU A 51 -1.190 13.375 2.975 1.00 0.00 C ATOM 785 CD1 LEU A 51 -2.059 14.425 2.300 1.00 0.00 C ATOM 786 CD2 LEU A 51 -0.521 13.949 4.214 1.00 0.00 C ATOM 0 H LEU A 51 -4.484 11.481 3.050 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.242 11.855 1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.847 12.453 3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.402 11.462 3.920 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.411 13.072 2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.451 15.295 2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.489 14.010 1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.860 14.724 2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.066 14.825 3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.283 14.236 4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.134 13.198 4.655 1.00 0.00 H new ATOM 798 N PRO A 52 -2.399 9.136 3.157 1.00 0.00 N ATOM 799 CA PRO A 52 -1.957 7.740 3.226 1.00 0.00 C ATOM 800 C PRO A 52 -2.617 6.871 2.158 1.00 0.00 C ATOM 801 O PRO A 52 -3.305 5.898 2.473 1.00 0.00 O ATOM 802 CB PRO A 52 -2.389 7.283 4.629 1.00 0.00 C ATOM 803 CG PRO A 52 -2.726 8.533 5.370 1.00 0.00 C ATOM 804 CD PRO A 52 -3.193 9.513 4.334 1.00 0.00 C ATOM 0 HA PRO A 52 -0.885 7.649 3.051 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.248 6.614 4.577 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.589 6.735 5.127 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.503 8.350 6.112 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.857 8.916 5.906 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.263 9.426 4.146 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.006 10.543 4.637 1.00 0.00 H new ATOM 812 N GLY A 53 -2.407 7.223 0.892 1.00 0.00 N ATOM 813 CA GLY A 53 -2.991 6.460 -0.192 1.00 0.00 C ATOM 814 C GLY A 53 -2.148 5.264 -0.581 1.00 0.00 C ATOM 815 O GLY A 53 -0.922 5.350 -0.639 1.00 0.00 O ATOM 0 H GLY A 53 -1.844 8.022 0.600 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.984 6.120 0.102 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.119 7.107 -1.060 1.00 0.00 H new ATOM 819 N LEU A 54 -2.811 4.152 -0.855 1.00 0.00 N ATOM 820 CA LEU A 54 -2.131 2.928 -1.252 1.00 0.00 C ATOM 821 C LEU A 54 -2.769 2.377 -2.518 1.00 0.00 C ATOM 822 O LEU A 54 -3.852 1.794 -2.471 1.00 0.00 O ATOM 823 CB LEU A 54 -2.193 1.890 -0.128 1.00 0.00 C ATOM 824 CG LEU A 54 -1.880 0.451 -0.543 1.00 0.00 C ATOM 825 CD1 LEU A 54 -0.480 0.358 -1.127 1.00 0.00 C ATOM 826 CD2 LEU A 54 -2.028 -0.488 0.644 1.00 0.00 C ATOM 0 H LEU A 54 -3.827 4.071 -0.809 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.083 3.153 -1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.493 2.185 0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.190 1.914 0.311 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.592 0.150 -1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.274 -0.672 -1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.408 1.003 -2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.247 0.677 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.802 -1.508 0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.338 -0.189 1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.050 -0.442 1.019 1.00 0.00 H new ATOM 838 N ALA A 55 -2.106 2.574 -3.649 1.00 0.00 N ATOM 839 CA ALA A 55 -2.640 2.097 -4.916 1.00 0.00 C ATOM 840 C ALA A 55 -1.968 0.800 -5.347 1.00 0.00 C ATOM 841 O ALA A 55 -0.744 0.726 -5.448 1.00 0.00 O ATOM 842 CB ALA A 55 -2.481 3.160 -5.992 1.00 0.00 C ATOM 0 H ALA A 55 -1.209 3.055 -3.715 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.702 1.893 -4.777 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.885 2.788 -6.933 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.020 4.060 -5.696 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.424 3.395 -6.118 1.00 0.00 H new ATOM 848 N VAL A 56 -2.780 -0.220 -5.603 1.00 0.00 N ATOM 849 CA VAL A 56 -2.268 -1.515 -6.025 1.00 0.00 C ATOM 850 C VAL A 56 -2.710 -1.842 -7.438 1.00 0.00 C ATOM 851 O VAL A 56 -3.847 -1.576 -7.824 1.00 0.00 O ATOM 852 CB VAL A 56 -2.713 -2.646 -5.084 1.00 0.00 C ATOM 853 CG1 VAL A 56 -1.657 -2.872 -4.027 1.00 0.00 C ATOM 854 CG2 VAL A 56 -4.063 -2.336 -4.449 1.00 0.00 C ATOM 0 H VAL A 56 -3.796 -0.173 -5.525 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.181 -1.443 -5.990 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.831 -3.559 -5.667 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.975 -3.674 -3.361 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.717 -3.148 -4.505 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.517 -1.957 -3.452 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.351 -3.154 -3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.991 -1.413 -3.873 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.814 -2.218 -5.230 1.00 0.00 H new ATOM 864 N ASP A 57 -1.795 -2.412 -8.211 1.00 0.00 N ATOM 865 CA ASP A 57 -2.078 -2.768 -9.598 1.00 0.00 C ATOM 866 C ASP A 57 -2.761 -1.608 -10.322 1.00 0.00 C ATOM 867 O ASP A 57 -3.513 -1.811 -11.273 1.00 0.00 O ATOM 868 CB ASP A 57 -2.967 -4.012 -9.657 1.00 0.00 C ATOM 869 CG ASP A 57 -2.223 -5.274 -9.263 1.00 0.00 C ATOM 870 OD1 ASP A 57 -0.983 -5.302 -9.408 1.00 0.00 O ATOM 871 OD2 ASP A 57 -2.882 -6.233 -8.809 1.00 0.00 O ATOM 0 H ASP A 57 -0.850 -2.638 -7.902 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.132 -2.983 -10.095 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.822 -3.876 -8.995 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.361 -4.126 -10.667 1.00 0.00 H new ATOM 876 N GLY A 58 -2.494 -0.391 -9.852 1.00 0.00 N ATOM 877 CA GLY A 58 -3.093 0.787 -10.453 1.00 0.00 C ATOM 878 C GLY A 58 -4.549 0.953 -10.067 1.00 0.00 C ATOM 879 O GLY A 58 -5.360 1.416 -10.869 1.00 0.00 O ATOM 0 H GLY A 58 -1.873 -0.201 -9.065 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.535 1.672 -10.147 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.013 0.719 -11.538 1.00 0.00 H new ATOM 883 N GLU A 59 -4.883 0.574 -8.838 1.00 0.00 N ATOM 884 CA GLU A 59 -6.254 0.682 -8.354 1.00 0.00 C ATOM 885 C GLU A 59 -6.289 1.040 -6.871 1.00 0.00 C ATOM 886 O GLU A 59 -6.059 0.191 -6.010 1.00 0.00 O ATOM 887 CB GLU A 59 -7.006 -0.628 -8.591 1.00 0.00 C ATOM 888 CG GLU A 59 -8.510 -0.510 -8.403 1.00 0.00 C ATOM 889 CD GLU A 59 -9.115 0.612 -9.224 1.00 0.00 C ATOM 890 OE1 GLU A 59 -9.174 1.752 -8.719 1.00 0.00 O ATOM 891 OE2 GLU A 59 -9.528 0.350 -10.373 1.00 0.00 O ATOM 0 H GLU A 59 -4.224 0.190 -8.160 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.743 1.482 -8.911 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.801 -0.977 -9.603 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.622 -1.386 -7.909 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.982 -1.453 -8.680 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.728 -0.342 -7.348 1.00 0.00 H new ATOM 898 N LEU A 60 -6.585 2.305 -6.583 1.00 0.00 N ATOM 899 CA LEU A 60 -6.663 2.790 -5.204 1.00 0.00 C ATOM 900 C LEU A 60 -7.466 1.836 -4.328 1.00 0.00 C ATOM 901 O LEU A 60 -8.548 1.387 -4.706 1.00 0.00 O ATOM 902 CB LEU A 60 -7.294 4.183 -5.171 1.00 0.00 C ATOM 903 CG LEU A 60 -6.423 5.263 -4.532 1.00 0.00 C ATOM 904 CD1 LEU A 60 -5.986 4.840 -3.136 1.00 0.00 C ATOM 905 CD2 LEU A 60 -5.215 5.557 -5.411 1.00 0.00 C ATOM 0 H LEU A 60 -6.776 3.017 -7.288 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.649 2.843 -4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.532 4.484 -6.191 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.237 4.127 -4.627 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.011 6.176 -4.441 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.366 5.622 -2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.865 4.680 -2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.413 3.915 -3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.604 6.328 -4.943 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.624 4.649 -5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.552 5.904 -6.388 1.00 0.00 H new ATOM 917 N LYS A 61 -6.924 1.529 -3.156 1.00 0.00 N ATOM 918 CA LYS A 61 -7.584 0.626 -2.226 1.00 0.00 C ATOM 919 C LYS A 61 -7.908 1.320 -0.906 1.00 0.00 C ATOM 920 O LYS A 61 -8.811 0.894 -0.185 1.00 0.00 O ATOM 921 CB LYS A 61 -6.709 -0.602 -1.966 1.00 0.00 C ATOM 922 CG LYS A 61 -7.504 -1.871 -1.707 1.00 0.00 C ATOM 923 CD LYS A 61 -8.232 -2.338 -2.957 1.00 0.00 C ATOM 924 CE LYS A 61 -8.197 -3.854 -3.091 1.00 0.00 C ATOM 925 NZ LYS A 61 -7.382 -4.289 -4.258 1.00 0.00 N ATOM 0 H LYS A 61 -6.029 1.893 -2.828 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.522 0.311 -2.682 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.056 -0.761 -2.824 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.066 -0.405 -1.108 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.833 -2.657 -1.360 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.226 -1.693 -0.910 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.267 -1.999 -2.924 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.775 -1.884 -3.836 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.788 -4.290 -2.180 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.214 -4.233 -3.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.383 -5.327 -4.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.787 -3.894 -5.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.405 -3.950 -4.145 1.00 0.00 H new ATOM 939 N ILE A 62 -7.175 2.385 -0.581 1.00 0.00 N ATOM 940 CA ILE A 62 -7.424 3.102 0.673 1.00 0.00 C ATOM 941 C ILE A 62 -6.980 4.560 0.611 1.00 0.00 C ATOM 942 O ILE A 62 -6.099 4.924 -0.170 1.00 0.00 O ATOM 943 CB ILE A 62 -6.723 2.418 1.861 1.00 0.00 C ATOM 944 CG1 ILE A 62 -5.247 2.186 1.547 1.00 0.00 C ATOM 945 CG2 ILE A 62 -7.413 1.105 2.197 1.00 0.00 C ATOM 946 CD1 ILE A 62 -4.372 3.388 1.834 1.00 0.00 C ATOM 0 H ILE A 62 -6.420 2.765 -1.152 1.00 0.00 H new ATOM 0 HA ILE A 62 -8.504 3.076 0.820 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.789 3.074 2.729 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.889 1.338 2.131 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.146 1.915 0.496 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.906 0.633 3.039 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -8.453 1.298 2.461 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.375 0.442 1.332 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.337 3.152 1.588 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -4.705 4.233 1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.444 3.646 2.891 1.00 0.00 H new ATOM 958 N MET A 63 -7.605 5.390 1.445 1.00 0.00 N ATOM 959 CA MET A 63 -7.287 6.815 1.499 1.00 0.00 C ATOM 960 C MET A 63 -7.445 7.369 2.914 1.00 0.00 C ATOM 961 O MET A 63 -8.490 7.190 3.542 1.00 0.00 O ATOM 962 CB MET A 63 -8.199 7.587 0.549 1.00 0.00 C ATOM 963 CG MET A 63 -7.732 7.560 -0.892 1.00 0.00 C ATOM 964 SD MET A 63 -9.039 7.096 -2.045 1.00 0.00 S ATOM 965 CE MET A 63 -10.191 8.448 -1.811 1.00 0.00 C ATOM 0 H MET A 63 -8.336 5.099 2.094 1.00 0.00 H new ATOM 0 HA MET A 63 -6.247 6.936 1.197 1.00 0.00 H new ATOM 0 HB2 MET A 63 -9.205 7.170 0.605 1.00 0.00 H new ATOM 0 HB3 MET A 63 -8.264 8.623 0.882 1.00 0.00 H new ATOM 0 HG2 MET A 63 -7.348 8.544 -1.163 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.904 6.857 -0.987 1.00 0.00 H new ATOM 0 HE1 MET A 63 -11.167 8.050 -1.534 1.00 0.00 H new ATOM 0 HE2 MET A 63 -9.828 9.103 -1.019 1.00 0.00 H new ATOM 0 HE3 MET A 63 -10.280 9.015 -2.738 1.00 0.00 H new ATOM 975 N GLY A 64 -6.420 8.064 3.409 1.00 0.00 N ATOM 976 CA GLY A 64 -6.507 8.646 4.741 1.00 0.00 C ATOM 977 C GLY A 64 -5.919 7.765 5.820 1.00 0.00 C ATOM 978 O GLY A 64 -5.577 8.242 6.902 1.00 0.00 O ATOM 0 H GLY A 64 -5.542 8.233 2.919 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.991 9.606 4.745 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.553 8.846 4.975 1.00 0.00 H new ATOM 982 N ARG A 65 -5.804 6.483 5.526 1.00 0.00 N ATOM 983 CA ARG A 65 -5.256 5.523 6.475 1.00 0.00 C ATOM 984 C ARG A 65 -5.239 4.128 5.867 1.00 0.00 C ATOM 985 O ARG A 65 -6.289 3.534 5.624 1.00 0.00 O ATOM 986 CB ARG A 65 -6.074 5.517 7.769 1.00 0.00 C ATOM 987 CG ARG A 65 -5.542 4.557 8.820 1.00 0.00 C ATOM 988 CD ARG A 65 -4.348 5.143 9.558 1.00 0.00 C ATOM 989 NE ARG A 65 -4.042 4.403 10.780 1.00 0.00 N ATOM 990 CZ ARG A 65 -2.890 4.504 11.439 1.00 0.00 C ATOM 991 NH1 ARG A 65 -1.933 5.311 10.998 1.00 0.00 N ATOM 992 NH2 ARG A 65 -2.694 3.795 12.543 1.00 0.00 N ATOM 0 H ARG A 65 -6.084 6.078 4.633 1.00 0.00 H new ATOM 0 HA ARG A 65 -4.234 5.820 6.709 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.089 6.525 8.184 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.105 5.252 7.536 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -6.332 4.322 9.533 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.253 3.620 8.345 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.477 5.136 8.902 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.551 6.185 9.806 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.753 3.772 11.150 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.078 5.858 10.150 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.052 5.384 11.508 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.426 3.173 12.886 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.811 3.872 13.049 1.00 0.00 H new ATOM 1006 N VAL A 66 -4.042 3.613 5.615 1.00 0.00 N ATOM 1007 CA VAL A 66 -3.896 2.290 5.026 1.00 0.00 C ATOM 1008 C VAL A 66 -4.705 1.249 5.795 1.00 0.00 C ATOM 1009 O VAL A 66 -5.090 1.472 6.943 1.00 0.00 O ATOM 1010 CB VAL A 66 -2.421 1.846 4.987 1.00 0.00 C ATOM 1011 CG1 VAL A 66 -1.638 2.664 3.973 1.00 0.00 C ATOM 1012 CG2 VAL A 66 -1.794 1.954 6.370 1.00 0.00 C ATOM 0 H VAL A 66 -3.162 4.090 5.809 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.274 2.361 4.006 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.386 0.802 4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.599 2.333 3.963 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.072 2.528 2.982 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.680 3.718 4.246 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.752 1.636 6.323 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.843 2.988 6.712 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.337 1.315 7.067 1.00 0.00 H new ATOM 1022 N ALA A 67 -4.959 0.112 5.156 1.00 0.00 N ATOM 1023 CA ALA A 67 -5.721 -0.961 5.784 1.00 0.00 C ATOM 1024 C ALA A 67 -4.980 -1.520 6.995 1.00 0.00 C ATOM 1025 O ALA A 67 -4.025 -0.915 7.484 1.00 0.00 O ATOM 1026 CB ALA A 67 -6.008 -2.064 4.774 1.00 0.00 C ATOM 0 H ALA A 67 -4.649 -0.090 4.205 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.669 -0.551 6.131 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.577 -2.859 5.255 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.585 -1.656 3.944 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.068 -2.467 4.399 1.00 0.00 H new ATOM 1032 N SER A 68 -5.425 -2.676 7.476 1.00 0.00 N ATOM 1033 CA SER A 68 -4.803 -3.314 8.630 1.00 0.00 C ATOM 1034 C SER A 68 -4.246 -4.686 8.261 1.00 0.00 C ATOM 1035 O SER A 68 -4.490 -5.191 7.166 1.00 0.00 O ATOM 1036 CB SER A 68 -5.815 -3.452 9.769 1.00 0.00 C ATOM 1037 OG SER A 68 -5.248 -4.131 10.877 1.00 0.00 O ATOM 0 H SER A 68 -6.214 -3.190 7.084 1.00 0.00 H new ATOM 0 HA SER A 68 -3.977 -2.684 8.960 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.155 -2.464 10.079 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.692 -3.994 9.416 1.00 0.00 H new ATOM 0 HG SER A 68 -5.915 -4.204 11.592 1.00 0.00 H new ATOM 1043 N LYS A 69 -3.497 -5.285 9.183 1.00 0.00 N ATOM 1044 CA LYS A 69 -2.905 -6.600 8.953 1.00 0.00 C ATOM 1045 C LYS A 69 -3.972 -7.624 8.581 1.00 0.00 C ATOM 1046 O LYS A 69 -3.899 -8.258 7.528 1.00 0.00 O ATOM 1047 CB LYS A 69 -2.148 -7.068 10.198 1.00 0.00 C ATOM 1048 CG LYS A 69 -1.367 -8.356 9.986 1.00 0.00 C ATOM 1049 CD LYS A 69 -1.707 -9.399 11.040 1.00 0.00 C ATOM 1050 CE LYS A 69 -1.781 -10.794 10.440 1.00 0.00 C ATOM 1051 NZ LYS A 69 -1.418 -11.844 11.431 1.00 0.00 N ATOM 0 H LYS A 69 -3.286 -4.881 10.096 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.206 -6.512 8.121 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.460 -6.283 10.511 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.858 -7.213 11.012 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.585 -8.755 8.995 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.298 -8.143 10.016 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.954 -9.380 11.828 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.661 -9.151 11.505 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.790 -10.977 10.070 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.111 -10.857 9.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.481 -12.781 10.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.446 -11.685 11.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.073 -11.801 12.238 1.00 0.00 H new ATOM 1065 N GLU A 70 -4.967 -7.779 9.450 1.00 0.00 N ATOM 1066 CA GLU A 70 -6.051 -8.724 9.210 1.00 0.00 C ATOM 1067 C GLU A 70 -6.792 -8.383 7.922 1.00 0.00 C ATOM 1068 O GLU A 70 -7.316 -9.266 7.243 1.00 0.00 O ATOM 1069 CB GLU A 70 -7.027 -8.725 10.388 1.00 0.00 C ATOM 1070 CG GLU A 70 -7.879 -9.981 10.470 1.00 0.00 C ATOM 1071 CD GLU A 70 -8.674 -10.064 11.759 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -8.120 -10.547 12.769 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -9.850 -9.646 11.759 1.00 0.00 O ATOM 0 H GLU A 70 -5.044 -7.262 10.326 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.617 -9.718 9.107 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.465 -8.616 11.315 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.681 -7.857 10.308 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.564 -10.007 9.623 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.236 -10.857 10.387 1.00 0.00 H new ATOM 1080 N GLU A 71 -6.829 -7.097 7.589 1.00 0.00 N ATOM 1081 CA GLU A 71 -7.505 -6.639 6.381 1.00 0.00 C ATOM 1082 C GLU A 71 -6.858 -7.240 5.136 1.00 0.00 C ATOM 1083 O GLU A 71 -7.546 -7.733 4.243 1.00 0.00 O ATOM 1084 CB GLU A 71 -7.474 -5.113 6.300 1.00 0.00 C ATOM 1085 CG GLU A 71 -8.721 -4.512 5.672 1.00 0.00 C ATOM 1086 CD GLU A 71 -9.981 -4.842 6.447 1.00 0.00 C ATOM 1087 OE1 GLU A 71 -9.888 -5.030 7.679 1.00 0.00 O ATOM 1088 OE2 GLU A 71 -11.061 -4.912 5.824 1.00 0.00 O ATOM 0 H GLU A 71 -6.399 -6.354 8.139 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.542 -6.971 6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.351 -4.707 7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.602 -4.806 5.722 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.608 -3.429 5.613 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.821 -4.878 4.650 1.00 0.00 H new ATOM 1095 N ILE A 72 -5.530 -7.197 5.086 1.00 0.00 N ATOM 1096 CA ILE A 72 -4.791 -7.740 3.951 1.00 0.00 C ATOM 1097 C ILE A 72 -5.078 -9.228 3.777 1.00 0.00 C ATOM 1098 O ILE A 72 -5.478 -9.671 2.700 1.00 0.00 O ATOM 1099 CB ILE A 72 -3.270 -7.535 4.116 1.00 0.00 C ATOM 1100 CG1 ILE A 72 -2.955 -6.064 4.387 1.00 0.00 C ATOM 1101 CG2 ILE A 72 -2.530 -8.018 2.877 1.00 0.00 C ATOM 1102 CD1 ILE A 72 -3.421 -5.134 3.286 1.00 0.00 C ATOM 0 H ILE A 72 -4.944 -6.793 5.817 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.125 -7.199 3.065 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.934 -8.123 4.970 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.424 -5.767 5.325 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.879 -5.949 4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.459 -7.866 3.011 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.730 -9.079 2.724 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.871 -7.456 2.008 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.165 -4.107 3.545 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.933 -5.405 2.350 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.501 -5.220 3.170 1.00 0.00 H new ATOM 1114 N LYS A 73 -4.874 -9.993 4.844 1.00 0.00 N ATOM 1115 CA LYS A 73 -5.114 -11.432 4.810 1.00 0.00 C ATOM 1116 C LYS A 73 -6.563 -11.734 4.442 1.00 0.00 C ATOM 1117 O LYS A 73 -6.852 -12.735 3.787 1.00 0.00 O ATOM 1118 CB LYS A 73 -4.779 -12.057 6.166 1.00 0.00 C ATOM 1119 CG LYS A 73 -4.832 -13.576 6.165 1.00 0.00 C ATOM 1120 CD LYS A 73 -3.440 -14.184 6.228 1.00 0.00 C ATOM 1121 CE LYS A 73 -3.050 -14.533 7.656 1.00 0.00 C ATOM 1122 NZ LYS A 73 -3.908 -15.612 8.219 1.00 0.00 N ATOM 0 H LYS A 73 -4.543 -9.641 5.743 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.467 -11.865 4.047 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.782 -11.737 6.468 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.476 -11.678 6.914 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.419 -13.921 7.016 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.341 -13.922 5.265 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.405 -15.081 5.610 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.716 -13.483 5.813 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.007 -14.849 7.680 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.128 -13.644 8.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.385 -16.120 8.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.769 -15.194 8.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.170 -16.277 7.463 1.00 0.00 H new