USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 362 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 36 CYS SG : rot -105:sc= -1.44! USER MOD Set 1.2: A 45 SER OG : rot 132:sc= -1! USER MOD Set 2.1: A 13 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 14 LYS NZ :NH3+ -114:sc= 0.544 (180deg=-0.315) USER MOD Set 3.2: A 15 ASN : amide:sc= 0.332 K(o=0.88,f=-5.6!) USER MOD Set 4.1: A 6 TYR OH : rot -31:sc= -1.37! USER MOD Set 4.2: A 8 SER OG : rot 15:sc= -0.691 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 59:sc= 0.132 USER MOD Single : A 10 THR OG1 : rot -92:sc= 0.563 USER MOD Single : A 17 SER OG : rot -80:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0837 K(o=-0.084,f=-1.8!) USER MOD Single : A 25 SER OG : rot 157:sc= -1.12! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.466 K(o=-0.47,f=-2.5) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.291 K(o=-0.29,f=-1.2) USER MOD Single : A 41 SER OG : rot 180:sc= -0.0328 USER MOD Single : A 46 GLN : amide:sc= -0.0102 X(o=-0.01,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.134 K(o=-0.13,f=-0.66) USER MOD Single : A 59 ASN : amide:sc= -0.268 X(o=-0.27,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 9.486 -5.672 -6.490 1.00 0.00 N ATOM 2 CA ASP A 1 8.579 -6.806 -6.458 1.00 0.00 C ATOM 3 C ASP A 1 7.665 -6.689 -5.236 1.00 0.00 C ATOM 4 O ASP A 1 8.038 -7.097 -4.137 1.00 0.00 O ATOM 5 CB ASP A 1 9.348 -8.124 -6.348 1.00 0.00 C ATOM 6 CG ASP A 1 8.978 -9.178 -7.394 1.00 0.00 C ATOM 7 OD1 ASP A 1 9.083 -8.847 -8.595 1.00 0.00 O ATOM 8 OD2 ASP A 1 8.598 -10.290 -6.969 1.00 0.00 O ATOM 0 H1 ASP A 1 10.109 -5.749 -7.320 1.00 0.00 H new ATOM 0 H2 ASP A 1 8.938 -4.790 -6.549 1.00 0.00 H new ATOM 0 H3 ASP A 1 10.062 -5.664 -5.624 1.00 0.00 H new ATOM 0 HA ASP A 1 8.002 -6.801 -7.382 1.00 0.00 H new ATOM 0 HB2 ASP A 1 10.414 -7.913 -6.428 1.00 0.00 H new ATOM 0 HB3 ASP A 1 9.180 -8.544 -5.356 1.00 0.00 H new ATOM 13 N ILE A 2 6.487 -6.129 -5.469 1.00 0.00 N ATOM 14 CA ILE A 2 5.518 -5.953 -4.401 1.00 0.00 C ATOM 15 C ILE A 2 4.512 -7.105 -4.436 1.00 0.00 C ATOM 16 O ILE A 2 4.051 -7.563 -3.391 1.00 0.00 O ATOM 17 CB ILE A 2 4.871 -4.569 -4.488 1.00 0.00 C ATOM 18 CG1 ILE A 2 3.535 -4.634 -5.232 1.00 0.00 C ATOM 19 CG2 ILE A 2 5.828 -3.555 -5.117 1.00 0.00 C ATOM 20 CD1 ILE A 2 3.036 -3.232 -5.587 1.00 0.00 C ATOM 0 H ILE A 2 6.182 -5.791 -6.382 1.00 0.00 H new ATOM 0 HA ILE A 2 6.011 -5.989 -3.429 1.00 0.00 H new ATOM 0 HB ILE A 2 4.659 -4.227 -3.475 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.649 -5.224 -6.141 1.00 0.00 H new ATOM 0 HG13 ILE A 2 2.795 -5.142 -4.614 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.343 -2.580 -5.167 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.730 -3.481 -4.510 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.093 -3.880 -6.123 1.00 0.00 H new ATOM 0 HD11 ILE A 2 2.085 -3.307 -6.115 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.899 -2.652 -4.674 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.767 -2.736 -6.225 1.00 0.00 H new ATOM 32 N GLU A 3 4.202 -7.542 -5.648 1.00 0.00 N ATOM 33 CA GLU A 3 3.259 -8.632 -5.832 1.00 0.00 C ATOM 34 C GLU A 3 3.692 -9.852 -5.016 1.00 0.00 C ATOM 35 O GLU A 3 2.855 -10.642 -4.582 1.00 0.00 O ATOM 36 CB GLU A 3 3.114 -8.987 -7.313 1.00 0.00 C ATOM 37 CG GLU A 3 4.473 -9.320 -7.933 1.00 0.00 C ATOM 38 CD GLU A 3 4.309 -9.868 -9.352 1.00 0.00 C ATOM 39 OE1 GLU A 3 3.928 -11.054 -9.461 1.00 0.00 O ATOM 40 OE2 GLU A 3 4.567 -9.090 -10.295 1.00 0.00 O ATOM 0 H GLU A 3 4.587 -7.161 -6.512 1.00 0.00 H new ATOM 0 HA GLU A 3 2.283 -8.307 -5.473 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.442 -9.838 -7.422 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.661 -8.152 -7.848 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.096 -8.426 -7.954 1.00 0.00 H new ATOM 0 HG3 GLU A 3 4.989 -10.053 -7.314 1.00 0.00 H new ATOM 47 N ASP A 4 4.999 -9.966 -4.831 1.00 0.00 N ATOM 48 CA ASP A 4 5.554 -11.076 -4.075 1.00 0.00 C ATOM 49 C ASP A 4 5.295 -10.851 -2.584 1.00 0.00 C ATOM 50 O ASP A 4 5.493 -11.755 -1.773 1.00 0.00 O ATOM 51 CB ASP A 4 7.066 -11.183 -4.282 1.00 0.00 C ATOM 52 CG ASP A 4 7.534 -12.460 -4.983 1.00 0.00 C ATOM 53 OD1 ASP A 4 7.037 -12.708 -6.102 1.00 0.00 O ATOM 54 OD2 ASP A 4 8.378 -13.160 -4.383 1.00 0.00 O ATOM 0 H ASP A 4 5.690 -9.308 -5.192 1.00 0.00 H new ATOM 0 HA ASP A 4 5.078 -11.993 -4.423 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.400 -10.324 -4.864 1.00 0.00 H new ATOM 0 HB3 ASP A 4 7.556 -11.119 -3.310 1.00 0.00 H new ATOM 59 N PHE A 5 4.857 -9.641 -2.268 1.00 0.00 N ATOM 60 CA PHE A 5 4.570 -9.286 -0.889 1.00 0.00 C ATOM 61 C PHE A 5 3.121 -8.820 -0.733 1.00 0.00 C ATOM 62 O PHE A 5 2.772 -8.187 0.262 1.00 0.00 O ATOM 63 CB PHE A 5 5.506 -8.134 -0.519 1.00 0.00 C ATOM 64 CG PHE A 5 6.877 -8.585 -0.011 1.00 0.00 C ATOM 65 CD1 PHE A 5 7.890 -8.805 -0.892 1.00 0.00 C ATOM 66 CD2 PHE A 5 7.083 -8.766 1.321 1.00 0.00 C ATOM 67 CE1 PHE A 5 9.162 -9.224 -0.421 1.00 0.00 C ATOM 68 CE2 PHE A 5 8.356 -9.185 1.792 1.00 0.00 C ATOM 69 CZ PHE A 5 9.368 -9.405 0.911 1.00 0.00 C ATOM 0 H PHE A 5 4.694 -8.894 -2.944 1.00 0.00 H new ATOM 0 HA PHE A 5 4.717 -10.152 -0.244 1.00 0.00 H new ATOM 0 HB2 PHE A 5 5.645 -7.497 -1.393 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.029 -7.523 0.247 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.727 -8.661 -1.950 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.279 -8.591 2.021 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.966 -9.399 -1.120 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.520 -9.329 2.850 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.336 -9.724 1.269 1.00 0.00 H new ATOM 79 N TYR A 6 2.316 -9.151 -1.732 1.00 0.00 N ATOM 80 CA TYR A 6 0.913 -8.774 -1.719 1.00 0.00 C ATOM 81 C TYR A 6 0.106 -9.696 -0.802 1.00 0.00 C ATOM 82 O TYR A 6 -0.005 -10.893 -1.063 1.00 0.00 O ATOM 83 CB TYR A 6 0.417 -8.943 -3.156 1.00 0.00 C ATOM 84 CG TYR A 6 -1.045 -8.541 -3.362 1.00 0.00 C ATOM 85 CD1 TYR A 6 -1.739 -7.918 -2.344 1.00 0.00 C ATOM 86 CD2 TYR A 6 -1.670 -8.802 -4.564 1.00 0.00 C ATOM 87 CE1 TYR A 6 -3.115 -7.540 -2.538 1.00 0.00 C ATOM 88 CE2 TYR A 6 -3.046 -8.423 -4.758 1.00 0.00 C ATOM 89 CZ TYR A 6 -3.700 -7.811 -3.735 1.00 0.00 C ATOM 90 OH TYR A 6 -5.000 -7.454 -3.917 1.00 0.00 O ATOM 0 H TYR A 6 2.609 -9.676 -2.556 1.00 0.00 H new ATOM 0 HA TYR A 6 0.793 -7.754 -1.353 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.044 -8.346 -3.818 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.542 -9.985 -3.452 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.250 -7.714 -1.403 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.127 -9.291 -5.360 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.670 -7.052 -1.750 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.547 -8.620 -5.694 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.475 -7.501 -3.061 1.00 0.00 H new ATOM 100 N THR A 7 -0.436 -9.103 0.251 1.00 0.00 N ATOM 101 CA THR A 7 -1.229 -9.857 1.208 1.00 0.00 C ATOM 102 C THR A 7 -2.722 -9.678 0.921 1.00 0.00 C ATOM 103 O THR A 7 -3.378 -8.836 1.533 1.00 0.00 O ATOM 104 CB THR A 7 -0.823 -9.411 2.614 1.00 0.00 C ATOM 105 OG1 THR A 7 -1.188 -8.035 2.661 1.00 0.00 O ATOM 106 CG2 THR A 7 0.695 -9.401 2.809 1.00 0.00 C ATOM 0 H THR A 7 -0.342 -8.110 0.463 1.00 0.00 H new ATOM 0 HA THR A 7 -1.039 -10.927 1.124 1.00 0.00 H new ATOM 0 HB THR A 7 -1.280 -10.072 3.351 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.150 -7.946 2.498 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.929 -9.077 3.823 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.089 -10.404 2.648 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.149 -8.714 2.095 1.00 0.00 H new ATOM 114 N SER A 8 -3.214 -10.483 -0.008 1.00 0.00 N ATOM 115 CA SER A 8 -4.616 -10.424 -0.383 1.00 0.00 C ATOM 116 C SER A 8 -5.489 -10.909 0.776 1.00 0.00 C ATOM 117 O SER A 8 -6.713 -10.808 0.721 1.00 0.00 O ATOM 118 CB SER A 8 -4.887 -11.259 -1.636 1.00 0.00 C ATOM 119 OG SER A 8 -5.906 -10.685 -2.450 1.00 0.00 O ATOM 0 H SER A 8 -2.667 -11.180 -0.513 1.00 0.00 H new ATOM 0 HA SER A 8 -4.866 -9.387 -0.609 1.00 0.00 H new ATOM 0 HB2 SER A 8 -3.969 -11.351 -2.216 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.182 -12.267 -1.343 1.00 0.00 H new ATOM 0 HG SER A 8 -6.059 -9.757 -2.176 1.00 0.00 H new ATOM 125 N GLU A 9 -4.824 -11.425 1.800 1.00 0.00 N ATOM 126 CA GLU A 9 -5.523 -11.926 2.971 1.00 0.00 C ATOM 127 C GLU A 9 -6.084 -10.763 3.792 1.00 0.00 C ATOM 128 O GLU A 9 -7.277 -10.727 4.089 1.00 0.00 O ATOM 129 CB GLU A 9 -4.607 -12.807 3.822 1.00 0.00 C ATOM 130 CG GLU A 9 -5.261 -14.158 4.114 1.00 0.00 C ATOM 131 CD GLU A 9 -5.781 -14.217 5.552 1.00 0.00 C ATOM 132 OE1 GLU A 9 -5.026 -13.778 6.446 1.00 0.00 O ATOM 133 OE2 GLU A 9 -6.922 -14.699 5.723 1.00 0.00 O ATOM 0 H GLU A 9 -3.808 -11.507 1.843 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.356 -12.544 2.636 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.661 -12.962 3.303 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.377 -12.300 4.759 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.084 -14.325 3.419 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.539 -14.958 3.952 1.00 0.00 H new ATOM 140 N THR A 10 -5.197 -9.841 4.135 1.00 0.00 N ATOM 141 CA THR A 10 -5.588 -8.680 4.917 1.00 0.00 C ATOM 142 C THR A 10 -5.999 -7.531 3.994 1.00 0.00 C ATOM 143 O THR A 10 -6.809 -6.686 4.372 1.00 0.00 O ATOM 144 CB THR A 10 -4.428 -8.326 5.850 1.00 0.00 C ATOM 145 OG1 THR A 10 -4.677 -6.970 6.213 1.00 0.00 O ATOM 146 CG2 THR A 10 -3.084 -8.275 5.120 1.00 0.00 C ATOM 0 H THR A 10 -4.208 -9.874 3.886 1.00 0.00 H new ATOM 0 HA THR A 10 -6.464 -8.892 5.531 1.00 0.00 H new ATOM 0 HB THR A 10 -4.375 -9.057 6.657 1.00 0.00 H new ATOM 0 HG1 THR A 10 -4.207 -6.374 5.593 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.295 -8.020 5.828 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.873 -9.248 4.677 1.00 0.00 H new ATOM 0 HG23 THR A 10 -3.125 -7.520 4.335 1.00 0.00 H new ATOM 154 N CYS A 11 -5.421 -7.536 2.802 1.00 0.00 N ATOM 155 CA CYS A 11 -5.717 -6.504 1.822 1.00 0.00 C ATOM 156 C CYS A 11 -7.193 -6.619 1.435 1.00 0.00 C ATOM 157 O CYS A 11 -7.698 -7.719 1.220 1.00 0.00 O ATOM 158 CB CYS A 11 -4.798 -6.601 0.603 1.00 0.00 C ATOM 159 SG CYS A 11 -4.780 -5.115 -0.465 1.00 0.00 S ATOM 0 H CYS A 11 -4.749 -8.238 2.492 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.532 -5.522 2.257 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.782 -6.797 0.946 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.103 -7.459 0.003 1.00 0.00 H new ATOM 164 N PRO A 12 -7.859 -5.436 1.356 1.00 0.00 N ATOM 165 CA PRO A 12 -9.267 -5.393 0.998 1.00 0.00 C ATOM 166 C PRO A 12 -9.460 -5.642 -0.499 1.00 0.00 C ATOM 167 O PRO A 12 -10.590 -5.715 -0.979 1.00 0.00 O ATOM 168 CB PRO A 12 -9.743 -4.018 1.438 1.00 0.00 C ATOM 169 CG PRO A 12 -8.489 -3.175 1.599 1.00 0.00 C ATOM 170 CD PRO A 12 -7.293 -4.113 1.604 1.00 0.00 C ATOM 0 HA PRO A 12 -9.849 -6.176 1.485 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.414 -3.582 0.698 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.297 -4.078 2.375 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.406 -2.455 0.785 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.530 -2.604 2.526 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.572 -3.840 0.833 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.767 -4.080 2.558 1.00 0.00 H new ATOM 178 N TYR A 13 -8.340 -5.765 -1.195 1.00 0.00 N ATOM 179 CA TYR A 13 -8.371 -6.005 -2.628 1.00 0.00 C ATOM 180 C TYR A 13 -7.705 -7.337 -2.976 1.00 0.00 C ATOM 181 O TYR A 13 -6.981 -7.905 -2.160 1.00 0.00 O ATOM 182 CB TYR A 13 -7.570 -4.867 -3.264 1.00 0.00 C ATOM 183 CG TYR A 13 -8.064 -3.470 -2.883 1.00 0.00 C ATOM 184 CD1 TYR A 13 -9.193 -2.950 -3.483 1.00 0.00 C ATOM 185 CD2 TYR A 13 -7.382 -2.729 -1.939 1.00 0.00 C ATOM 186 CE1 TYR A 13 -9.658 -1.635 -3.125 1.00 0.00 C ATOM 187 CE2 TYR A 13 -7.847 -1.414 -1.581 1.00 0.00 C ATOM 188 CZ TYR A 13 -8.962 -0.932 -2.192 1.00 0.00 C ATOM 189 OH TYR A 13 -9.402 0.310 -1.854 1.00 0.00 O ATOM 0 H TYR A 13 -7.404 -5.703 -0.793 1.00 0.00 H new ATOM 0 HA TYR A 13 -9.399 -6.045 -2.988 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.525 -4.964 -2.971 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.608 -4.971 -4.348 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -9.728 -3.529 -4.221 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.499 -3.136 -1.469 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -10.540 -1.216 -3.587 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -7.322 -0.824 -0.844 1.00 0.00 H new ATOM 0 HH TYR A 13 -8.808 0.694 -1.175 1.00 0.00 H new ATOM 199 N LYS A 14 -7.975 -7.798 -4.189 1.00 0.00 N ATOM 200 CA LYS A 14 -7.411 -9.053 -4.655 1.00 0.00 C ATOM 201 C LYS A 14 -7.350 -9.044 -6.184 1.00 0.00 C ATOM 202 O LYS A 14 -7.359 -10.099 -6.816 1.00 0.00 O ATOM 203 CB LYS A 14 -8.189 -10.237 -4.078 1.00 0.00 C ATOM 204 CG LYS A 14 -9.498 -10.457 -4.840 1.00 0.00 C ATOM 205 CD LYS A 14 -10.448 -9.273 -4.650 1.00 0.00 C ATOM 206 CE LYS A 14 -10.577 -8.461 -5.940 1.00 0.00 C ATOM 207 NZ LYS A 14 -11.256 -9.256 -6.987 1.00 0.00 N ATOM 0 H LYS A 14 -8.577 -7.325 -4.863 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.388 -9.167 -4.296 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.578 -11.138 -4.130 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.403 -10.057 -3.024 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.287 -10.592 -5.901 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.977 -11.372 -4.491 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.430 -9.635 -4.344 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.081 -8.633 -3.848 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.139 -7.547 -5.747 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.589 -8.160 -6.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.590 -9.449 -7.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.586 -10.155 -6.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.070 -8.723 -7.354 1.00 0.00 H new ATOM 221 N ASN A 15 -7.291 -7.840 -6.735 1.00 0.00 N ATOM 222 CA ASN A 15 -7.229 -7.679 -8.177 1.00 0.00 C ATOM 223 C ASN A 15 -5.909 -7.003 -8.554 1.00 0.00 C ATOM 224 O ASN A 15 -5.906 -5.893 -9.085 1.00 0.00 O ATOM 225 CB ASN A 15 -8.373 -6.798 -8.683 1.00 0.00 C ATOM 226 CG ASN A 15 -9.559 -7.649 -9.142 1.00 0.00 C ATOM 227 OD1 ASN A 15 -9.492 -8.865 -9.213 1.00 0.00 O ATOM 228 ND2 ASN A 15 -10.644 -6.944 -9.448 1.00 0.00 N ATOM 0 H ASN A 15 -7.285 -6.967 -6.208 1.00 0.00 H new ATOM 0 HA ASN A 15 -7.308 -8.667 -8.630 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -8.692 -6.120 -7.891 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -8.023 -6.180 -9.510 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -11.489 -7.420 -9.765 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -10.632 -5.927 -9.366 1.00 0.00 H new ATOM 235 N ASP A 16 -4.820 -7.700 -8.265 1.00 0.00 N ATOM 236 CA ASP A 16 -3.497 -7.180 -8.568 1.00 0.00 C ATOM 237 C ASP A 16 -3.032 -6.283 -7.419 1.00 0.00 C ATOM 238 O ASP A 16 -3.789 -5.440 -6.940 1.00 0.00 O ATOM 239 CB ASP A 16 -3.514 -6.341 -9.847 1.00 0.00 C ATOM 240 CG ASP A 16 -2.256 -6.454 -10.711 1.00 0.00 C ATOM 241 OD1 ASP A 16 -1.564 -7.486 -10.573 1.00 0.00 O ATOM 242 OD2 ASP A 16 -2.015 -5.506 -11.489 1.00 0.00 O ATOM 0 H ASP A 16 -4.826 -8.620 -7.824 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.824 -8.027 -8.702 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.376 -6.636 -10.446 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.658 -5.295 -9.576 1.00 0.00 H new ATOM 247 N SER A 17 -1.789 -6.494 -7.012 1.00 0.00 N ATOM 248 CA SER A 17 -1.214 -5.714 -5.929 1.00 0.00 C ATOM 249 C SER A 17 -1.122 -4.242 -6.335 1.00 0.00 C ATOM 250 O SER A 17 -1.166 -3.356 -5.483 1.00 0.00 O ATOM 251 CB SER A 17 0.168 -6.245 -5.542 1.00 0.00 C ATOM 252 OG SER A 17 1.067 -6.251 -6.649 1.00 0.00 O ATOM 0 H SER A 17 -1.164 -7.194 -7.412 1.00 0.00 H new ATOM 0 HA SER A 17 -1.865 -5.804 -5.060 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.582 -5.631 -4.742 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.071 -7.257 -5.149 1.00 0.00 H new ATOM 0 HG SER A 17 0.894 -7.038 -7.207 1.00 0.00 H new ATOM 258 N GLN A 18 -0.998 -4.027 -7.637 1.00 0.00 N ATOM 259 CA GLN A 18 -0.900 -2.677 -8.166 1.00 0.00 C ATOM 260 C GLN A 18 -2.195 -1.907 -7.898 1.00 0.00 C ATOM 261 O GLN A 18 -2.215 -0.679 -7.963 1.00 0.00 O ATOM 262 CB GLN A 18 -0.573 -2.697 -9.660 1.00 0.00 C ATOM 263 CG GLN A 18 0.836 -3.240 -9.906 1.00 0.00 C ATOM 264 CD GLN A 18 1.349 -2.831 -11.288 1.00 0.00 C ATOM 265 OE1 GLN A 18 0.842 -1.919 -11.921 1.00 0.00 O ATOM 266 NE2 GLN A 18 2.380 -3.553 -11.719 1.00 0.00 N ATOM 0 H GLN A 18 -0.963 -4.765 -8.341 1.00 0.00 H new ATOM 0 HA GLN A 18 -0.084 -2.165 -7.656 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -1.301 -3.313 -10.187 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -0.654 -1.689 -10.067 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.513 -2.866 -9.138 1.00 0.00 H new ATOM 0 HG3 GLN A 18 0.830 -4.327 -9.824 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.756 -4.303 -11.138 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.795 -3.357 -12.630 1.00 0.00 H new ATOM 275 N LEU A 19 -3.244 -2.661 -7.603 1.00 0.00 N ATOM 276 CA LEU A 19 -4.539 -2.064 -7.325 1.00 0.00 C ATOM 277 C LEU A 19 -4.526 -1.456 -5.921 1.00 0.00 C ATOM 278 O LEU A 19 -4.687 -0.247 -5.763 1.00 0.00 O ATOM 279 CB LEU A 19 -5.657 -3.087 -7.541 1.00 0.00 C ATOM 280 CG LEU A 19 -7.077 -2.600 -7.245 1.00 0.00 C ATOM 281 CD1 LEU A 19 -7.481 -1.473 -8.197 1.00 0.00 C ATOM 282 CD2 LEU A 19 -8.072 -3.762 -7.277 1.00 0.00 C ATOM 0 H LEU A 19 -3.223 -3.679 -7.551 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.741 -1.251 -8.023 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.618 -3.425 -8.577 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.454 -3.956 -6.915 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.093 -2.189 -6.236 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.494 -1.146 -7.964 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.794 -0.635 -8.081 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.443 -1.834 -9.225 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.074 -3.389 -7.063 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.060 -4.225 -8.264 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.792 -4.501 -6.526 1.00 0.00 H new ATOM 294 N ALA A 20 -4.331 -2.322 -4.938 1.00 0.00 N ATOM 295 CA ALA A 20 -4.294 -1.885 -3.552 1.00 0.00 C ATOM 296 C ALA A 20 -3.134 -0.905 -3.362 1.00 0.00 C ATOM 297 O ALA A 20 -3.210 -0.003 -2.529 1.00 0.00 O ATOM 298 CB ALA A 20 -4.182 -3.105 -2.635 1.00 0.00 C ATOM 0 H ALA A 20 -4.197 -3.324 -5.073 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.214 -1.363 -3.289 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.154 -2.778 -1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.043 -3.755 -2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.268 -3.652 -2.868 1.00 0.00 H new ATOM 304 N TRP A 21 -2.089 -1.114 -4.149 1.00 0.00 N ATOM 305 CA TRP A 21 -0.916 -0.260 -4.077 1.00 0.00 C ATOM 306 C TRP A 21 -1.267 1.080 -4.726 1.00 0.00 C ATOM 307 O TRP A 21 -0.854 2.134 -4.244 1.00 0.00 O ATOM 308 CB TRP A 21 0.295 -0.937 -4.722 1.00 0.00 C ATOM 309 CG TRP A 21 1.427 0.026 -5.085 1.00 0.00 C ATOM 310 CD1 TRP A 21 1.541 0.788 -6.182 1.00 0.00 C ATOM 311 CD2 TRP A 21 2.607 0.301 -4.302 1.00 0.00 C ATOM 312 NE1 TRP A 21 2.704 1.532 -6.162 1.00 0.00 N ATOM 313 CE2 TRP A 21 3.372 1.226 -4.982 1.00 0.00 C ATOM 314 CE3 TRP A 21 3.014 -0.214 -3.058 1.00 0.00 C ATOM 315 CZ2 TRP A 21 4.592 1.716 -4.500 1.00 0.00 C ATOM 316 CZ3 TRP A 21 4.235 0.286 -2.590 1.00 0.00 C ATOM 317 CH2 TRP A 21 5.018 1.217 -3.263 1.00 0.00 C ATOM 0 H TRP A 21 -2.030 -1.862 -4.840 1.00 0.00 H new ATOM 0 HA TRP A 21 -0.632 -0.081 -3.040 1.00 0.00 H new ATOM 0 HB2 TRP A 21 0.681 -1.694 -4.040 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -0.030 -1.456 -5.624 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.815 0.816 -6.981 1.00 0.00 H new ATOM 0 HE1 TRP A 21 3.015 2.186 -6.881 1.00 0.00 H new ATOM 0 HE3 TRP A 21 2.431 -0.938 -2.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 5.173 2.440 -5.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.594 -0.077 -1.639 1.00 0.00 H new ATOM 0 HH2 TRP A 21 5.950 1.554 -2.834 1.00 0.00 H new ATOM 328 N ASP A 22 -2.025 0.997 -5.810 1.00 0.00 N ATOM 329 CA ASP A 22 -2.436 2.190 -6.529 1.00 0.00 C ATOM 330 C ASP A 22 -3.371 3.017 -5.645 1.00 0.00 C ATOM 331 O ASP A 22 -3.680 4.164 -5.964 1.00 0.00 O ATOM 332 CB ASP A 22 -3.192 1.828 -7.809 1.00 0.00 C ATOM 333 CG ASP A 22 -2.322 1.702 -9.061 1.00 0.00 C ATOM 334 OD1 ASP A 22 -1.416 2.550 -9.210 1.00 0.00 O ATOM 335 OD2 ASP A 22 -2.582 0.760 -9.840 1.00 0.00 O ATOM 0 H ASP A 22 -2.365 0.121 -6.207 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.540 2.754 -6.787 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.713 0.884 -7.650 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.954 2.586 -7.989 1.00 0.00 H new ATOM 340 N THR A 23 -3.797 2.402 -4.552 1.00 0.00 N ATOM 341 CA THR A 23 -4.691 3.067 -3.619 1.00 0.00 C ATOM 342 C THR A 23 -3.890 3.878 -2.599 1.00 0.00 C ATOM 343 O THR A 23 -3.857 5.106 -2.665 1.00 0.00 O ATOM 344 CB THR A 23 -5.586 2.002 -2.981 1.00 0.00 C ATOM 345 OG1 THR A 23 -6.836 2.155 -3.647 1.00 0.00 O ATOM 346 CG2 THR A 23 -5.905 2.306 -1.516 1.00 0.00 C ATOM 0 H THR A 23 -3.540 1.450 -4.291 1.00 0.00 H new ATOM 0 HA THR A 23 -5.331 3.787 -4.129 1.00 0.00 H new ATOM 0 HB THR A 23 -5.099 1.029 -3.052 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.476 1.501 -3.296 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.543 1.520 -1.112 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.978 2.352 -0.944 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.422 3.263 -1.447 1.00 0.00 H new ATOM 354 N CYS A 24 -3.265 3.159 -1.678 1.00 0.00 N ATOM 355 CA CYS A 24 -2.466 3.796 -0.645 1.00 0.00 C ATOM 356 C CYS A 24 -1.237 4.423 -1.307 1.00 0.00 C ATOM 357 O CYS A 24 -1.034 5.634 -1.227 1.00 0.00 O ATOM 358 CB CYS A 24 -2.080 2.811 0.460 1.00 0.00 C ATOM 359 SG CYS A 24 -0.361 2.975 1.068 1.00 0.00 S ATOM 0 H CYS A 24 -3.296 2.141 -1.626 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.052 4.575 -0.157 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.762 2.944 1.300 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.224 1.796 0.089 1.00 0.00 H new ATOM 364 N SER A 25 -0.449 3.571 -1.945 1.00 0.00 N ATOM 365 CA SER A 25 0.755 4.026 -2.620 1.00 0.00 C ATOM 366 C SER A 25 0.394 4.652 -3.968 1.00 0.00 C ATOM 367 O SER A 25 0.951 4.278 -4.999 1.00 0.00 O ATOM 368 CB SER A 25 1.744 2.875 -2.817 1.00 0.00 C ATOM 369 OG SER A 25 1.126 1.603 -2.642 1.00 0.00 O ATOM 0 H SER A 25 -0.620 2.568 -2.009 1.00 0.00 H new ATOM 0 HA SER A 25 1.235 4.778 -1.994 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.174 2.934 -3.817 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.566 2.979 -2.109 1.00 0.00 H new ATOM 0 HG SER A 25 1.648 0.919 -3.111 1.00 0.00 H new ATOM 375 N GLY A 26 -0.535 5.595 -3.917 1.00 0.00 N ATOM 376 CA GLY A 26 -0.977 6.277 -5.121 1.00 0.00 C ATOM 377 C GLY A 26 -1.055 7.788 -4.899 1.00 0.00 C ATOM 378 O GLY A 26 -0.145 8.382 -4.322 1.00 0.00 O ATOM 0 H GLY A 26 -0.994 5.903 -3.060 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.289 6.061 -5.939 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.955 5.899 -5.419 1.00 0.00 H new ATOM 382 N GLY A 27 -2.150 8.368 -5.367 1.00 0.00 N ATOM 383 CA GLY A 27 -2.359 9.799 -5.226 1.00 0.00 C ATOM 384 C GLY A 27 -3.392 10.098 -4.139 1.00 0.00 C ATOM 385 O GLY A 27 -3.196 10.996 -3.321 1.00 0.00 O ATOM 0 H GLY A 27 -2.903 7.872 -5.845 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.415 10.285 -4.979 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.694 10.216 -6.176 1.00 0.00 H new ATOM 389 N THR A 28 -4.471 9.328 -4.164 1.00 0.00 N ATOM 390 CA THR A 28 -5.535 9.500 -3.190 1.00 0.00 C ATOM 391 C THR A 28 -5.907 8.154 -2.564 1.00 0.00 C ATOM 392 O THR A 28 -5.117 7.211 -2.596 1.00 0.00 O ATOM 393 CB THR A 28 -6.709 10.189 -3.889 1.00 0.00 C ATOM 394 OG1 THR A 28 -7.064 9.291 -4.938 1.00 0.00 O ATOM 395 CG2 THR A 28 -6.288 11.466 -4.619 1.00 0.00 C ATOM 0 H THR A 28 -4.631 8.584 -4.843 1.00 0.00 H new ATOM 0 HA THR A 28 -5.214 10.132 -2.362 1.00 0.00 H new ATOM 0 HB THR A 28 -7.479 10.427 -3.155 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.820 9.659 -5.442 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.158 11.915 -5.098 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.863 12.170 -3.904 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.542 11.223 -5.376 1.00 0.00 H new ATOM 403 N GLY A 29 -7.109 8.108 -2.008 1.00 0.00 N ATOM 404 CA GLY A 29 -7.594 6.894 -1.375 1.00 0.00 C ATOM 405 C GLY A 29 -7.283 6.894 0.123 1.00 0.00 C ATOM 406 O GLY A 29 -7.792 7.733 0.866 1.00 0.00 O ATOM 0 H GLY A 29 -7.761 8.892 -1.983 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.670 6.806 -1.527 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.133 6.025 -1.846 1.00 0.00 H new ATOM 410 N ASN A 30 -6.450 5.945 0.522 1.00 0.00 N ATOM 411 CA ASN A 30 -6.066 5.825 1.919 1.00 0.00 C ATOM 412 C ASN A 30 -4.559 5.578 2.009 1.00 0.00 C ATOM 413 O ASN A 30 -4.126 4.516 2.454 1.00 0.00 O ATOM 414 CB ASN A 30 -6.779 4.648 2.588 1.00 0.00 C ATOM 415 CG ASN A 30 -7.061 3.533 1.579 1.00 0.00 C ATOM 416 OD1 ASN A 30 -6.252 2.650 1.348 1.00 0.00 O ATOM 417 ND2 ASN A 30 -8.252 3.623 0.993 1.00 0.00 N ATOM 0 H ASN A 30 -6.030 5.252 -0.097 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.344 6.749 2.426 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.165 4.261 3.401 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.715 4.989 3.030 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -8.535 2.926 0.304 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -8.882 4.389 1.233 1.00 0.00 H new ATOM 424 N CYS A 31 -3.801 6.575 1.578 1.00 0.00 N ATOM 425 CA CYS A 31 -2.351 6.479 1.605 1.00 0.00 C ATOM 426 C CYS A 31 -1.878 6.745 3.035 1.00 0.00 C ATOM 427 O CYS A 31 -2.378 7.650 3.700 1.00 0.00 O ATOM 428 CB CYS A 31 -1.702 7.436 0.602 1.00 0.00 C ATOM 429 SG CYS A 31 -1.611 9.179 1.154 1.00 0.00 S ATOM 0 H CYS A 31 -4.163 7.454 1.208 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.045 5.477 1.303 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -0.693 7.085 0.386 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.261 7.394 -0.333 1.00 0.00 H new ATOM 434 N GLY A 32 -0.919 5.938 3.466 1.00 0.00 N ATOM 435 CA GLY A 32 -0.373 6.074 4.806 1.00 0.00 C ATOM 436 C GLY A 32 0.597 4.934 5.121 1.00 0.00 C ATOM 437 O GLY A 32 0.895 4.111 4.257 1.00 0.00 O ATOM 0 H GLY A 32 -0.506 5.188 2.911 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.142 7.030 4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.184 6.078 5.534 1.00 0.00 H new ATOM 441 N THR A 33 1.064 4.923 6.361 1.00 0.00 N ATOM 442 CA THR A 33 1.995 3.897 6.801 1.00 0.00 C ATOM 443 C THR A 33 1.237 2.647 7.252 1.00 0.00 C ATOM 444 O THR A 33 1.848 1.632 7.584 1.00 0.00 O ATOM 445 CB THR A 33 2.879 4.499 7.895 1.00 0.00 C ATOM 446 OG1 THR A 33 3.466 5.642 7.277 1.00 0.00 O ATOM 447 CG2 THR A 33 4.074 3.607 8.238 1.00 0.00 C ATOM 0 H THR A 33 0.815 5.608 7.075 1.00 0.00 H new ATOM 0 HA THR A 33 2.639 3.571 5.985 1.00 0.00 H new ATOM 0 HB THR A 33 2.283 4.669 8.792 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.054 6.094 7.917 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.669 4.080 9.019 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.717 2.639 8.590 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.689 3.465 7.349 1.00 0.00 H new ATOM 455 N VAL A 34 -0.083 2.761 7.249 1.00 0.00 N ATOM 456 CA VAL A 34 -0.931 1.653 7.654 1.00 0.00 C ATOM 457 C VAL A 34 -0.943 0.595 6.548 1.00 0.00 C ATOM 458 O VAL A 34 -0.834 -0.598 6.825 1.00 0.00 O ATOM 459 CB VAL A 34 -2.329 2.165 8.007 1.00 0.00 C ATOM 460 CG1 VAL A 34 -3.294 1.003 8.247 1.00 0.00 C ATOM 461 CG2 VAL A 34 -2.281 3.098 9.218 1.00 0.00 C ATOM 0 H VAL A 34 -0.586 3.604 6.972 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.537 1.179 8.553 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.701 2.738 7.158 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.280 1.395 8.496 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.362 0.395 7.345 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.928 0.390 9.071 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.287 3.448 9.448 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.879 2.560 10.076 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.642 3.952 8.994 1.00 0.00 H new ATOM 471 N CYS A 35 -1.077 1.072 5.319 1.00 0.00 N ATOM 472 CA CYS A 35 -1.105 0.182 4.171 1.00 0.00 C ATOM 473 C CYS A 35 0.244 -0.535 4.086 1.00 0.00 C ATOM 474 O CYS A 35 0.380 -1.527 3.372 1.00 0.00 O ATOM 475 CB CYS A 35 -1.433 0.935 2.880 1.00 0.00 C ATOM 476 SG CYS A 35 -0.104 0.918 1.622 1.00 0.00 S ATOM 0 H CYS A 35 -1.167 2.063 5.093 1.00 0.00 H new ATOM 0 HA CYS A 35 -1.899 -0.554 4.297 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.333 0.503 2.443 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.665 1.971 3.129 1.00 0.00 H new ATOM 481 N CYS A 36 1.208 -0.004 4.824 1.00 0.00 N ATOM 482 CA CYS A 36 2.541 -0.581 4.841 1.00 0.00 C ATOM 483 C CYS A 36 2.421 -2.059 5.217 1.00 0.00 C ATOM 484 O CYS A 36 2.926 -2.927 4.507 1.00 0.00 O ATOM 485 CB CYS A 36 3.473 0.175 5.790 1.00 0.00 C ATOM 486 SG CYS A 36 3.589 -0.530 7.475 1.00 0.00 S ATOM 0 H CYS A 36 1.092 0.820 5.414 1.00 0.00 H new ATOM 0 HA CYS A 36 2.989 -0.494 3.851 1.00 0.00 H new ATOM 0 HB2 CYS A 36 4.471 0.201 5.353 1.00 0.00 H new ATOM 0 HB3 CYS A 36 3.132 1.207 5.866 1.00 0.00 H new ATOM 0 HG CYS A 36 2.921 0.216 8.304 1.00 0.00 H new ATOM 491 N GLY A 37 1.748 -2.300 6.333 1.00 0.00 N ATOM 492 CA GLY A 37 1.554 -3.658 6.812 1.00 0.00 C ATOM 493 C GLY A 37 0.077 -4.053 6.758 1.00 0.00 C ATOM 494 O GLY A 37 -0.435 -4.682 7.682 1.00 0.00 O ATOM 0 H GLY A 37 1.330 -1.577 6.919 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.141 -4.348 6.206 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.919 -3.742 7.835 1.00 0.00 H new ATOM 498 N GLN A 38 -0.566 -3.667 5.666 1.00 0.00 N ATOM 499 CA GLN A 38 -1.974 -3.973 5.479 1.00 0.00 C ATOM 500 C GLN A 38 -2.171 -4.818 4.219 1.00 0.00 C ATOM 501 O GLN A 38 -2.833 -5.853 4.259 1.00 0.00 O ATOM 502 CB GLN A 38 -2.810 -2.693 5.417 1.00 0.00 C ATOM 503 CG GLN A 38 -4.117 -2.853 6.195 1.00 0.00 C ATOM 504 CD GLN A 38 -3.849 -2.986 7.696 1.00 0.00 C ATOM 505 OE1 GLN A 38 -2.792 -2.641 8.197 1.00 0.00 O ATOM 506 NE2 GLN A 38 -4.863 -3.505 8.383 1.00 0.00 N ATOM 0 H GLN A 38 -0.138 -3.145 4.901 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.317 -4.551 6.337 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.238 -1.861 5.827 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.029 -2.448 4.378 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.761 -1.993 6.012 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.651 -3.733 5.838 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.721 -3.773 7.901 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.782 -3.635 9.391 1.00 0.00 H new ATOM 515 N CYS A 39 -1.584 -4.344 3.129 1.00 0.00 N ATOM 516 CA CYS A 39 -1.687 -5.043 1.860 1.00 0.00 C ATOM 517 C CYS A 39 -0.305 -5.594 1.502 1.00 0.00 C ATOM 518 O CYS A 39 -0.194 -6.552 0.738 1.00 0.00 O ATOM 519 CB CYS A 39 -2.242 -4.137 0.759 1.00 0.00 C ATOM 520 SG CYS A 39 -4.013 -3.712 0.936 1.00 0.00 S ATOM 0 H CYS A 39 -1.036 -3.484 3.099 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.394 -5.868 1.952 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.662 -3.215 0.740 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.095 -4.626 -0.204 1.00 0.00 H new ATOM 525 N PHE A 40 0.713 -4.966 2.071 1.00 0.00 N ATOM 526 CA PHE A 40 2.083 -5.382 1.821 1.00 0.00 C ATOM 527 C PHE A 40 2.886 -5.431 3.123 1.00 0.00 C ATOM 528 O PHE A 40 2.341 -5.208 4.202 1.00 0.00 O ATOM 529 CB PHE A 40 2.705 -4.339 0.891 1.00 0.00 C ATOM 530 CG PHE A 40 1.706 -3.683 -0.065 1.00 0.00 C ATOM 531 CD1 PHE A 40 1.040 -2.559 0.313 1.00 0.00 C ATOM 532 CD2 PHE A 40 1.484 -4.225 -1.292 1.00 0.00 C ATOM 533 CE1 PHE A 40 0.114 -1.951 -0.575 1.00 0.00 C ATOM 534 CE2 PHE A 40 0.557 -3.617 -2.180 1.00 0.00 C ATOM 535 CZ PHE A 40 -0.108 -2.492 -1.802 1.00 0.00 C ATOM 0 H PHE A 40 0.617 -4.172 2.704 1.00 0.00 H new ATOM 0 HA PHE A 40 2.095 -6.379 1.380 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.177 -3.564 1.495 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.494 -4.813 0.307 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.215 -2.129 1.288 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.013 -5.118 -1.591 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.414 -1.058 -0.275 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.380 -4.048 -3.155 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.812 -2.029 -2.477 1.00 0.00 H new ATOM 545 N SER A 41 4.170 -5.725 2.977 1.00 0.00 N ATOM 546 CA SER A 41 5.054 -5.807 4.127 1.00 0.00 C ATOM 547 C SER A 41 6.480 -5.430 3.719 1.00 0.00 C ATOM 548 O SER A 41 6.839 -5.524 2.546 1.00 0.00 O ATOM 549 CB SER A 41 5.031 -7.208 4.742 1.00 0.00 C ATOM 550 OG SER A 41 4.778 -8.215 3.765 1.00 0.00 O ATOM 0 H SER A 41 4.619 -5.909 2.080 1.00 0.00 H new ATOM 0 HA SER A 41 4.700 -5.103 4.881 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.986 -7.406 5.228 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.264 -7.252 5.515 1.00 0.00 H new ATOM 0 HG SER A 41 4.773 -9.095 4.196 1.00 0.00 H new ATOM 556 N PHE A 42 7.253 -5.011 4.710 1.00 0.00 N ATOM 557 CA PHE A 42 8.632 -4.619 4.468 1.00 0.00 C ATOM 558 C PHE A 42 9.404 -5.736 3.763 1.00 0.00 C ATOM 559 O PHE A 42 9.051 -6.909 3.879 1.00 0.00 O ATOM 560 CB PHE A 42 9.269 -4.360 5.835 1.00 0.00 C ATOM 561 CG PHE A 42 9.942 -2.991 5.958 1.00 0.00 C ATOM 562 CD1 PHE A 42 9.184 -1.871 6.101 1.00 0.00 C ATOM 563 CD2 PHE A 42 11.298 -2.895 5.924 1.00 0.00 C ATOM 564 CE1 PHE A 42 9.809 -0.601 6.215 1.00 0.00 C ATOM 565 CE2 PHE A 42 11.923 -1.625 6.039 1.00 0.00 C ATOM 566 CZ PHE A 42 11.165 -0.505 6.182 1.00 0.00 C ATOM 0 H PHE A 42 6.951 -4.934 5.681 1.00 0.00 H new ATOM 0 HA PHE A 42 8.661 -3.735 3.831 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.502 -4.447 6.604 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.008 -5.136 6.033 1.00 0.00 H new ATOM 0 HD1 PHE A 42 8.107 -1.947 6.128 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.900 -3.785 5.810 1.00 0.00 H new ATOM 0 HE1 PHE A 42 9.207 0.289 6.328 1.00 0.00 H new ATOM 0 HE2 PHE A 42 13.000 -1.549 6.013 1.00 0.00 H new ATOM 0 HZ PHE A 42 11.640 0.461 6.269 1.00 0.00 H new ATOM 576 N PRO A 43 10.470 -5.322 3.028 1.00 0.00 N ATOM 577 CA PRO A 43 10.820 -3.914 2.943 1.00 0.00 C ATOM 578 C PRO A 43 9.852 -3.164 2.026 1.00 0.00 C ATOM 579 O PRO A 43 10.070 -1.994 1.713 1.00 0.00 O ATOM 580 CB PRO A 43 12.253 -3.894 2.439 1.00 0.00 C ATOM 581 CG PRO A 43 12.496 -5.261 1.819 1.00 0.00 C ATOM 582 CD PRO A 43 11.369 -6.180 2.261 1.00 0.00 C ATOM 0 HA PRO A 43 10.743 -3.402 3.902 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.398 -3.101 1.705 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.951 -3.705 3.254 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.525 -5.187 0.732 1.00 0.00 H new ATOM 0 HG3 PRO A 43 13.460 -5.659 2.137 1.00 0.00 H new ATOM 0 HD2 PRO A 43 10.860 -6.622 1.405 1.00 0.00 H new ATOM 0 HD3 PRO A 43 11.745 -7.003 2.868 1.00 0.00 H new ATOM 590 N VAL A 44 8.805 -3.867 1.621 1.00 0.00 N ATOM 591 CA VAL A 44 7.804 -3.281 0.746 1.00 0.00 C ATOM 592 C VAL A 44 6.993 -2.245 1.527 1.00 0.00 C ATOM 593 O VAL A 44 6.646 -1.192 0.994 1.00 0.00 O ATOM 594 CB VAL A 44 6.935 -4.382 0.134 1.00 0.00 C ATOM 595 CG1 VAL A 44 6.290 -3.910 -1.170 1.00 0.00 C ATOM 596 CG2 VAL A 44 7.746 -5.661 -0.086 1.00 0.00 C ATOM 0 H VAL A 44 8.628 -4.837 1.882 1.00 0.00 H new ATOM 0 HA VAL A 44 8.281 -2.761 -0.085 1.00 0.00 H new ATOM 0 HB VAL A 44 6.136 -4.609 0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.678 -4.711 -1.584 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.664 -3.040 -0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.068 -3.642 -1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.105 -6.428 -0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.576 -5.454 -0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.136 -6.014 0.869 1.00 0.00 H new ATOM 606 N SER A 45 6.714 -2.580 2.779 1.00 0.00 N ATOM 607 CA SER A 45 5.950 -1.692 3.638 1.00 0.00 C ATOM 608 C SER A 45 6.569 -0.293 3.627 1.00 0.00 C ATOM 609 O SER A 45 5.881 0.696 3.875 1.00 0.00 O ATOM 610 CB SER A 45 5.884 -2.232 5.068 1.00 0.00 C ATOM 611 OG SER A 45 5.921 -1.186 6.036 1.00 0.00 O ATOM 0 H SER A 45 7.004 -3.454 3.218 1.00 0.00 H new ATOM 0 HA SER A 45 4.932 -1.635 3.252 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.969 -2.811 5.195 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.718 -2.913 5.237 1.00 0.00 H new ATOM 0 HG SER A 45 5.205 -1.322 6.692 1.00 0.00 H new ATOM 617 N GLN A 46 7.862 -0.255 3.337 1.00 0.00 N ATOM 618 CA GLN A 46 8.581 1.007 3.291 1.00 0.00 C ATOM 619 C GLN A 46 8.215 1.780 2.022 1.00 0.00 C ATOM 620 O GLN A 46 8.220 3.010 2.018 1.00 0.00 O ATOM 621 CB GLN A 46 10.092 0.780 3.378 1.00 0.00 C ATOM 622 CG GLN A 46 10.794 1.993 3.992 1.00 0.00 C ATOM 623 CD GLN A 46 12.191 2.177 3.396 1.00 0.00 C ATOM 624 OE1 GLN A 46 13.073 1.348 3.549 1.00 0.00 O ATOM 625 NE2 GLN A 46 12.343 3.307 2.711 1.00 0.00 N ATOM 0 H GLN A 46 8.430 -1.077 3.132 1.00 0.00 H new ATOM 0 HA GLN A 46 8.286 1.603 4.154 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.296 -0.106 3.979 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.493 0.589 2.382 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.199 2.889 3.817 1.00 0.00 H new ATOM 0 HG3 GLN A 46 10.869 1.866 5.072 1.00 0.00 H new ATOM 0 HE21 GLN A 46 11.563 3.958 2.622 1.00 0.00 H new ATOM 0 HE22 GLN A 46 13.240 3.522 2.275 1.00 0.00 H new ATOM 634 N SER A 47 7.907 1.027 0.977 1.00 0.00 N ATOM 635 CA SER A 47 7.539 1.626 -0.295 1.00 0.00 C ATOM 636 C SER A 47 6.105 2.156 -0.228 1.00 0.00 C ATOM 637 O SER A 47 5.806 3.216 -0.775 1.00 0.00 O ATOM 638 CB SER A 47 7.681 0.621 -1.439 1.00 0.00 C ATOM 639 OG SER A 47 8.746 -0.298 -1.213 1.00 0.00 O ATOM 0 H SER A 47 7.905 0.007 0.985 1.00 0.00 H new ATOM 0 HA SER A 47 8.218 2.456 -0.491 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.747 0.072 -1.557 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.856 1.156 -2.372 1.00 0.00 H new ATOM 0 HG SER A 47 8.803 -0.924 -1.965 1.00 0.00 H new ATOM 645 N CYS A 48 5.257 1.394 0.446 1.00 0.00 N ATOM 646 CA CYS A 48 3.862 1.773 0.591 1.00 0.00 C ATOM 647 C CYS A 48 3.807 3.189 1.168 1.00 0.00 C ATOM 648 O CYS A 48 3.045 4.029 0.691 1.00 0.00 O ATOM 649 CB CYS A 48 3.091 0.774 1.456 1.00 0.00 C ATOM 650 SG CYS A 48 1.643 1.473 2.329 1.00 0.00 S ATOM 0 H CYS A 48 5.509 0.515 0.898 1.00 0.00 H new ATOM 0 HA CYS A 48 3.376 1.760 -0.384 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.755 -0.048 0.825 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.773 0.351 2.194 1.00 0.00 H new ATOM 655 N ALA A 49 4.625 3.411 2.187 1.00 0.00 N ATOM 656 CA ALA A 49 4.679 4.711 2.834 1.00 0.00 C ATOM 657 C ALA A 49 5.458 5.685 1.948 1.00 0.00 C ATOM 658 O ALA A 49 5.293 6.899 2.060 1.00 0.00 O ATOM 659 CB ALA A 49 5.299 4.563 4.225 1.00 0.00 C ATOM 0 H ALA A 49 5.256 2.712 2.580 1.00 0.00 H new ATOM 0 HA ALA A 49 3.676 5.117 2.966 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.340 5.538 4.711 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.692 3.884 4.824 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.308 4.161 4.133 1.00 0.00 H new ATOM 665 N GLY A 50 6.291 5.116 1.089 1.00 0.00 N ATOM 666 CA GLY A 50 7.096 5.920 0.184 1.00 0.00 C ATOM 667 C GLY A 50 6.251 6.454 -0.974 1.00 0.00 C ATOM 668 O GLY A 50 6.226 7.658 -1.225 1.00 0.00 O ATOM 0 H GLY A 50 6.426 4.109 1.000 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.540 6.753 0.729 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.918 5.321 -0.207 1.00 0.00 H new ATOM 672 N MET A 51 5.580 5.533 -1.649 1.00 0.00 N ATOM 673 CA MET A 51 4.736 5.897 -2.775 1.00 0.00 C ATOM 674 C MET A 51 3.333 6.285 -2.306 1.00 0.00 C ATOM 675 O MET A 51 2.380 6.240 -3.082 1.00 0.00 O ATOM 676 CB MET A 51 4.642 4.717 -3.745 1.00 0.00 C ATOM 677 CG MET A 51 4.212 5.185 -5.137 1.00 0.00 C ATOM 678 SD MET A 51 5.453 6.264 -5.830 1.00 0.00 S ATOM 679 CE MET A 51 5.241 5.906 -7.566 1.00 0.00 C ATOM 0 H MET A 51 5.603 4.535 -1.438 1.00 0.00 H new ATOM 0 HA MET A 51 5.182 6.756 -3.276 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.608 4.216 -3.808 1.00 0.00 H new ATOM 0 HB3 MET A 51 3.928 3.986 -3.366 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.062 4.324 -5.789 1.00 0.00 H new ATOM 0 HG3 MET A 51 3.258 5.708 -5.075 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.945 6.500 -8.149 1.00 0.00 H new ATOM 0 HE2 MET A 51 5.426 4.847 -7.744 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.223 6.152 -7.867 1.00 0.00 H new ATOM 689 N ALA A 52 3.250 6.658 -1.037 1.00 0.00 N ATOM 690 CA ALA A 52 1.979 7.054 -0.455 1.00 0.00 C ATOM 691 C ALA A 52 1.759 8.550 -0.690 1.00 0.00 C ATOM 692 O ALA A 52 1.311 9.264 0.206 1.00 0.00 O ATOM 693 CB ALA A 52 1.962 6.689 1.031 1.00 0.00 C ATOM 0 H ALA A 52 4.042 6.694 -0.396 1.00 0.00 H new ATOM 0 HA ALA A 52 1.156 6.521 -0.931 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.009 6.986 1.468 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.093 5.613 1.143 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.773 7.208 1.542 1.00 0.00 H new ATOM 699 N ASP A 53 2.086 8.981 -1.900 1.00 0.00 N ATOM 700 CA ASP A 53 1.930 10.379 -2.264 1.00 0.00 C ATOM 701 C ASP A 53 2.671 11.251 -1.250 1.00 0.00 C ATOM 702 O ASP A 53 3.125 10.760 -0.218 1.00 0.00 O ATOM 703 CB ASP A 53 0.456 10.789 -2.253 1.00 0.00 C ATOM 704 CG ASP A 53 0.141 12.089 -2.996 1.00 0.00 C ATOM 705 OD1 ASP A 53 1.113 12.740 -3.437 1.00 0.00 O ATOM 706 OD2 ASP A 53 -1.064 12.402 -3.107 1.00 0.00 O ATOM 0 H ASP A 53 2.458 8.386 -2.640 1.00 0.00 H new ATOM 0 HA ASP A 53 2.335 10.514 -3.267 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.133 9.984 -2.694 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.131 10.892 -1.218 1.00 0.00 H new ATOM 711 N SER A 54 2.772 12.531 -1.580 1.00 0.00 N ATOM 712 CA SER A 54 3.451 13.476 -0.711 1.00 0.00 C ATOM 713 C SER A 54 2.425 14.337 0.029 1.00 0.00 C ATOM 714 O SER A 54 1.986 13.982 1.122 1.00 0.00 O ATOM 715 CB SER A 54 4.412 14.363 -1.506 1.00 0.00 C ATOM 716 OG SER A 54 5.762 13.917 -1.399 1.00 0.00 O ATOM 0 H SER A 54 2.395 12.935 -2.437 1.00 0.00 H new ATOM 0 HA SER A 54 4.036 12.913 0.016 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.115 14.371 -2.555 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.340 15.389 -1.146 1.00 0.00 H new ATOM 0 HG SER A 54 6.344 14.508 -1.921 1.00 0.00 H new ATOM 722 N ASN A 55 2.073 15.451 -0.596 1.00 0.00 N ATOM 723 CA ASN A 55 1.107 16.364 -0.010 1.00 0.00 C ATOM 724 C ASN A 55 -0.156 16.386 -0.873 1.00 0.00 C ATOM 725 O ASN A 55 -1.171 16.959 -0.479 1.00 0.00 O ATOM 726 CB ASN A 55 1.663 17.789 0.050 1.00 0.00 C ATOM 727 CG ASN A 55 1.382 18.429 1.411 1.00 0.00 C ATOM 728 OD1 ASN A 55 1.462 17.797 2.452 1.00 0.00 O ATOM 729 ND2 ASN A 55 1.050 19.715 1.346 1.00 0.00 N ATOM 0 H ASN A 55 2.440 15.742 -1.502 1.00 0.00 H new ATOM 0 HA ASN A 55 0.886 16.019 1.000 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.737 17.772 -0.133 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.214 18.392 -0.739 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.844 20.232 2.201 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.001 20.184 0.442 1.00 0.00 H new ATOM 736 N ASP A 56 -0.053 15.755 -2.033 1.00 0.00 N ATOM 737 CA ASP A 56 -1.174 15.694 -2.955 1.00 0.00 C ATOM 738 C ASP A 56 -2.206 14.693 -2.430 1.00 0.00 C ATOM 739 O ASP A 56 -3.277 14.537 -3.015 1.00 0.00 O ATOM 740 CB ASP A 56 -0.724 15.227 -4.340 1.00 0.00 C ATOM 741 CG ASP A 56 0.409 16.045 -4.962 1.00 0.00 C ATOM 742 OD1 ASP A 56 0.722 17.110 -4.387 1.00 0.00 O ATOM 743 OD2 ASP A 56 0.938 15.586 -5.997 1.00 0.00 O ATOM 0 H ASP A 56 0.791 15.281 -2.356 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.601 16.694 -3.034 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.405 14.187 -4.270 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.582 15.253 -5.012 1.00 0.00 H new ATOM 748 N CYS A 57 -1.848 14.042 -1.333 1.00 0.00 N ATOM 749 CA CYS A 57 -2.729 13.061 -0.724 1.00 0.00 C ATOM 750 C CYS A 57 -3.757 13.805 0.131 1.00 0.00 C ATOM 751 O CYS A 57 -3.476 14.885 0.647 1.00 0.00 O ATOM 752 CB CYS A 57 -1.948 12.029 0.092 1.00 0.00 C ATOM 753 SG CYS A 57 -2.253 10.287 -0.380 1.00 0.00 S ATOM 0 H CYS A 57 -0.959 14.175 -0.850 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.244 12.498 -1.502 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.883 12.237 -0.009 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.198 12.154 1.145 1.00 0.00 H new ATOM 758 N PRO A 58 -4.958 13.180 0.259 1.00 0.00 N ATOM 759 CA PRO A 58 -6.030 13.770 1.043 1.00 0.00 C ATOM 760 C PRO A 58 -5.756 13.626 2.541 1.00 0.00 C ATOM 761 O PRO A 58 -6.561 13.047 3.270 1.00 0.00 O ATOM 762 CB PRO A 58 -7.289 13.046 0.596 1.00 0.00 C ATOM 763 CG PRO A 58 -6.818 11.766 -0.075 1.00 0.00 C ATOM 764 CD PRO A 58 -5.327 11.899 -0.337 1.00 0.00 C ATOM 0 HA PRO A 58 -6.127 14.844 0.883 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.936 12.826 1.446 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.868 13.659 -0.095 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.018 10.905 0.562 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.357 11.604 -1.009 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.771 11.077 0.115 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.110 11.882 -1.405 1.00 0.00 H new ATOM 772 N ASN A 59 -4.619 14.163 2.957 1.00 0.00 N ATOM 773 CA ASN A 59 -4.229 14.102 4.356 1.00 0.00 C ATOM 774 C ASN A 59 -4.705 15.369 5.069 1.00 0.00 C ATOM 775 O ASN A 59 -5.042 16.360 4.423 1.00 0.00 O ATOM 776 CB ASN A 59 -2.708 14.020 4.501 1.00 0.00 C ATOM 777 CG ASN A 59 -2.224 12.573 4.387 1.00 0.00 C ATOM 778 OD1 ASN A 59 -1.465 12.213 3.502 1.00 0.00 O ATOM 779 ND2 ASN A 59 -2.704 11.766 5.329 1.00 0.00 N ATOM 0 H ASN A 59 -3.955 14.643 2.350 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.681 13.212 4.794 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.232 14.628 3.732 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.408 14.433 5.464 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.440 10.781 5.339 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.336 12.132 6.041 1.00 0.00 H new ATOM 786 N ALA A 60 -4.717 15.296 6.392 1.00 0.00 N ATOM 787 CA ALA A 60 -5.145 16.425 7.200 1.00 0.00 C ATOM 788 C ALA A 60 -6.481 16.949 6.669 1.00 0.00 C ATOM 789 O ALA A 60 -7.145 17.747 7.329 1.00 0.00 O ATOM 790 CB ALA A 60 -4.055 17.498 7.197 1.00 0.00 C ATOM 0 H ALA A 60 -4.437 14.472 6.924 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.298 16.120 8.235 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.376 18.345 7.803 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.136 17.084 7.611 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.875 17.831 6.175 1.00 0.00 H new TER 796 ALA A 60