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 13 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 23 THR OG1 : rot -170:sc= 0.00128 USER MOD Single : A 1 ASP N :NH3+ -110:sc= 0.0903 (180deg=0) USER MOD Single : A 6 TYR OH : rot -41:sc= 1.28 USER MOD Single : A 7 THR OG1 : rot 29:sc= -1.52! USER MOD Single : A 8 SER OG : rot -162:sc= -1.13 USER MOD Single : A 10 THR OG1 : rot -91:sc= 1.05 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.28 K(o=-0.28,f=-1.7!) USER MOD Single : A 17 SER OG : rot 90:sc=-0.00189 USER MOD Single : A 18 GLN : amide:sc= -0.107 K(o=-0.11,f=-0.72) USER MOD Single : A 25 SER OG : rot 154:sc= -3.19! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.481 K(o=-0.48,f=-2.2) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -108:sc= -8.65! USER MOD Single : A 38 GLN : amide:sc= -0.0423 K(o=-0.042,f=-1.7) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 130:sc= -1.97! USER MOD Single : A 46 GLN : amide:sc= -0.261 K(o=-0.26,f=-1.9!) USER MOD Single : A 47 SER OG : rot 180:sc= -0.811 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= 0.024 X(o=0.024,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.0389 K(o=-0.039,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 9.992 -7.292 -6.439 1.00 0.00 N ATOM 2 CA ASP A 1 8.594 -7.144 -6.805 1.00 0.00 C ATOM 3 C ASP A 1 7.757 -6.951 -5.539 1.00 0.00 C ATOM 4 O ASP A 1 8.176 -7.339 -4.449 1.00 0.00 O ATOM 5 CB ASP A 1 8.078 -8.391 -7.526 1.00 0.00 C ATOM 6 CG ASP A 1 8.590 -8.568 -8.958 1.00 0.00 C ATOM 7 OD1 ASP A 1 8.140 -7.785 -9.822 1.00 0.00 O ATOM 8 OD2 ASP A 1 9.419 -9.482 -9.155 1.00 0.00 O ATOM 0 H1 ASP A 1 10.521 -6.448 -6.739 1.00 0.00 H new ATOM 0 H2 ASP A 1 10.071 -7.401 -5.408 1.00 0.00 H new ATOM 0 H3 ASP A 1 10.386 -8.132 -6.908 1.00 0.00 H new ATOM 0 HA ASP A 1 8.509 -6.283 -7.468 1.00 0.00 H new ATOM 0 HB2 ASP A 1 8.357 -9.270 -6.945 1.00 0.00 H new ATOM 0 HB3 ASP A 1 6.989 -8.356 -7.547 1.00 0.00 H new ATOM 13 N ILE A 2 6.590 -6.352 -5.724 1.00 0.00 N ATOM 14 CA ILE A 2 5.691 -6.103 -4.610 1.00 0.00 C ATOM 15 C ILE A 2 4.659 -7.230 -4.532 1.00 0.00 C ATOM 16 O ILE A 2 4.298 -7.671 -3.442 1.00 0.00 O ATOM 17 CB ILE A 2 5.072 -4.708 -4.723 1.00 0.00 C ATOM 18 CG1 ILE A 2 3.745 -4.757 -5.483 1.00 0.00 C ATOM 19 CG2 ILE A 2 6.057 -3.721 -5.352 1.00 0.00 C ATOM 20 CD1 ILE A 2 3.101 -3.371 -5.551 1.00 0.00 C ATOM 0 H ILE A 2 6.246 -6.032 -6.629 1.00 0.00 H new ATOM 0 HA ILE A 2 6.240 -6.107 -3.668 1.00 0.00 H new ATOM 0 HB ILE A 2 4.854 -4.348 -3.717 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.913 -5.134 -6.492 1.00 0.00 H new ATOM 0 HG13 ILE A 2 3.066 -5.454 -4.992 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.592 -2.737 -5.421 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.953 -3.657 -4.734 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.329 -4.064 -6.350 1.00 0.00 H new ATOM 0 HD11 ILE A 2 2.159 -3.434 -6.096 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.912 -3.008 -4.541 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.772 -2.683 -6.064 1.00 0.00 H new ATOM 32 N GLU A 3 4.213 -7.663 -5.702 1.00 0.00 N ATOM 33 CA GLU A 3 3.229 -8.730 -5.779 1.00 0.00 C ATOM 34 C GLU A 3 3.709 -9.952 -4.993 1.00 0.00 C ATOM 35 O GLU A 3 2.900 -10.699 -4.445 1.00 0.00 O ATOM 36 CB GLU A 3 2.931 -9.096 -7.234 1.00 0.00 C ATOM 37 CG GLU A 3 1.751 -10.065 -7.325 1.00 0.00 C ATOM 38 CD GLU A 3 2.233 -11.494 -7.587 1.00 0.00 C ATOM 39 OE1 GLU A 3 3.131 -11.641 -8.444 1.00 0.00 O ATOM 40 OE2 GLU A 3 1.693 -12.406 -6.925 1.00 0.00 O ATOM 0 H GLU A 3 4.515 -7.295 -6.604 1.00 0.00 H new ATOM 0 HA GLU A 3 2.301 -8.376 -5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.709 -8.192 -7.802 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.813 -9.548 -7.687 1.00 0.00 H new ATOM 0 HG2 GLU A 3 1.179 -10.035 -6.398 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.079 -9.752 -8.124 1.00 0.00 H new ATOM 47 N ASP A 4 5.023 -10.118 -4.964 1.00 0.00 N ATOM 48 CA ASP A 4 5.620 -11.237 -4.254 1.00 0.00 C ATOM 49 C ASP A 4 5.539 -10.982 -2.748 1.00 0.00 C ATOM 50 O ASP A 4 5.916 -11.838 -1.949 1.00 0.00 O ATOM 51 CB ASP A 4 7.095 -11.402 -4.627 1.00 0.00 C ATOM 52 CG ASP A 4 7.358 -11.718 -6.100 1.00 0.00 C ATOM 53 OD1 ASP A 4 6.480 -11.373 -6.921 1.00 0.00 O ATOM 54 OD2 ASP A 4 8.432 -12.298 -6.373 1.00 0.00 O ATOM 0 H ASP A 4 5.691 -9.497 -5.420 1.00 0.00 H new ATOM 0 HA ASP A 4 5.075 -12.140 -4.529 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.625 -10.485 -4.368 1.00 0.00 H new ATOM 0 HB3 ASP A 4 7.521 -12.199 -4.018 1.00 0.00 H new ATOM 59 N PHE A 5 5.044 -9.802 -2.406 1.00 0.00 N ATOM 60 CA PHE A 5 4.908 -9.424 -1.009 1.00 0.00 C ATOM 61 C PHE A 5 3.488 -8.941 -0.708 1.00 0.00 C ATOM 62 O PHE A 5 3.238 -8.356 0.345 1.00 0.00 O ATOM 63 CB PHE A 5 5.888 -8.276 -0.759 1.00 0.00 C ATOM 64 CG PHE A 5 7.281 -8.732 -0.320 1.00 0.00 C ATOM 65 CD1 PHE A 5 7.545 -8.936 0.998 1.00 0.00 C ATOM 66 CD2 PHE A 5 8.255 -8.932 -1.248 1.00 0.00 C ATOM 67 CE1 PHE A 5 8.838 -9.359 1.406 1.00 0.00 C ATOM 68 CE2 PHE A 5 9.548 -9.355 -0.840 1.00 0.00 C ATOM 69 CZ PHE A 5 9.812 -9.560 0.479 1.00 0.00 C ATOM 0 H PHE A 5 4.732 -9.095 -3.072 1.00 0.00 H new ATOM 0 HA PHE A 5 5.115 -10.282 -0.369 1.00 0.00 H new ATOM 0 HB2 PHE A 5 5.981 -7.686 -1.671 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.474 -7.619 0.006 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.772 -8.776 1.735 1.00 0.00 H new ATOM 0 HD2 PHE A 5 8.045 -8.769 -2.295 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.048 -9.521 2.453 1.00 0.00 H new ATOM 0 HE2 PHE A 5 10.322 -9.514 -1.577 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.795 -9.882 0.789 1.00 0.00 H new ATOM 79 N TYR A 6 2.595 -9.203 -1.651 1.00 0.00 N ATOM 80 CA TYR A 6 1.207 -8.802 -1.499 1.00 0.00 C ATOM 81 C TYR A 6 0.457 -9.762 -0.574 1.00 0.00 C ATOM 82 O TYR A 6 0.690 -10.970 -0.605 1.00 0.00 O ATOM 83 CB TYR A 6 0.591 -8.876 -2.898 1.00 0.00 C ATOM 84 CG TYR A 6 -0.753 -8.156 -3.026 1.00 0.00 C ATOM 85 CD1 TYR A 6 -0.972 -6.978 -2.341 1.00 0.00 C ATOM 86 CD2 TYR A 6 -1.746 -8.685 -3.825 1.00 0.00 C ATOM 87 CE1 TYR A 6 -2.236 -6.300 -2.461 1.00 0.00 C ATOM 88 CE2 TYR A 6 -3.010 -8.007 -3.945 1.00 0.00 C ATOM 89 CZ TYR A 6 -3.193 -6.848 -3.258 1.00 0.00 C ATOM 90 OH TYR A 6 -4.388 -6.208 -3.371 1.00 0.00 O ATOM 0 H TYR A 6 2.806 -9.688 -2.523 1.00 0.00 H new ATOM 0 HA TYR A 6 1.141 -7.804 -1.065 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.291 -8.447 -3.615 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.458 -9.923 -3.170 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -0.195 -6.565 -1.715 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.575 -9.607 -4.360 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -2.421 -5.377 -1.931 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.796 -8.410 -4.567 1.00 0.00 H new ATOM 0 HH TYR A 6 -4.664 -5.873 -2.492 1.00 0.00 H new ATOM 100 N THR A 7 -0.429 -9.190 0.229 1.00 0.00 N ATOM 101 CA THR A 7 -1.214 -9.980 1.162 1.00 0.00 C ATOM 102 C THR A 7 -2.707 -9.708 0.965 1.00 0.00 C ATOM 103 O THR A 7 -3.273 -8.831 1.617 1.00 0.00 O ATOM 104 CB THR A 7 -0.721 -9.669 2.576 1.00 0.00 C ATOM 105 OG1 THR A 7 -1.115 -8.317 2.793 1.00 0.00 O ATOM 106 CG2 THR A 7 0.806 -9.631 2.668 1.00 0.00 C ATOM 0 H THR A 7 -0.620 -8.188 0.252 1.00 0.00 H new ATOM 0 HA THR A 7 -1.084 -11.048 0.985 1.00 0.00 H new ATOM 0 HB THR A 7 -1.109 -10.417 3.268 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.918 -8.122 2.267 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.103 -9.406 3.692 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.212 -10.599 2.376 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.192 -8.860 2.001 1.00 0.00 H new ATOM 114 N SER A 8 -3.302 -10.475 0.064 1.00 0.00 N ATOM 115 CA SER A 8 -4.718 -10.328 -0.226 1.00 0.00 C ATOM 116 C SER A 8 -5.546 -10.705 1.004 1.00 0.00 C ATOM 117 O SER A 8 -6.749 -10.450 1.050 1.00 0.00 O ATOM 118 CB SER A 8 -5.127 -11.186 -1.425 1.00 0.00 C ATOM 119 OG SER A 8 -5.825 -10.430 -2.410 1.00 0.00 O ATOM 0 H SER A 8 -2.829 -11.200 -0.475 1.00 0.00 H new ATOM 0 HA SER A 8 -4.909 -9.285 -0.479 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.238 -11.631 -1.872 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.758 -12.007 -1.085 1.00 0.00 H new ATOM 0 HG SER A 8 -6.311 -11.038 -3.006 1.00 0.00 H new ATOM 125 N GLU A 9 -4.870 -11.307 1.971 1.00 0.00 N ATOM 126 CA GLU A 9 -5.528 -11.722 3.198 1.00 0.00 C ATOM 127 C GLU A 9 -5.942 -10.499 4.019 1.00 0.00 C ATOM 128 O GLU A 9 -7.081 -10.408 4.474 1.00 0.00 O ATOM 129 CB GLU A 9 -4.629 -12.652 4.016 1.00 0.00 C ATOM 130 CG GLU A 9 -5.408 -13.873 4.510 1.00 0.00 C ATOM 131 CD GLU A 9 -5.808 -13.710 5.978 1.00 0.00 C ATOM 132 OE1 GLU A 9 -4.918 -13.904 6.834 1.00 0.00 O ATOM 133 OE2 GLU A 9 -6.995 -13.395 6.211 1.00 0.00 O ATOM 0 H GLU A 9 -3.873 -11.517 1.930 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.427 -12.279 2.934 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.785 -12.976 3.407 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.218 -12.110 4.867 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.300 -14.011 3.899 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.799 -14.769 4.392 1.00 0.00 H new ATOM 140 N THR A 10 -4.993 -9.588 4.183 1.00 0.00 N ATOM 141 CA THR A 10 -5.245 -8.374 4.941 1.00 0.00 C ATOM 142 C THR A 10 -5.664 -7.239 4.005 1.00 0.00 C ATOM 143 O THR A 10 -6.408 -6.344 4.404 1.00 0.00 O ATOM 144 CB THR A 10 -3.990 -8.058 5.756 1.00 0.00 C ATOM 145 OG1 THR A 10 -4.148 -6.689 6.120 1.00 0.00 O ATOM 146 CG2 THR A 10 -2.719 -8.072 4.905 1.00 0.00 C ATOM 0 H THR A 10 -4.049 -9.666 3.804 1.00 0.00 H new ATOM 0 HA THR A 10 -6.076 -8.505 5.634 1.00 0.00 H new ATOM 0 HB THR A 10 -3.892 -8.781 6.566 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.738 -6.119 5.436 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.858 -7.842 5.533 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.590 -9.059 4.460 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.802 -7.326 4.115 1.00 0.00 H new ATOM 154 N CYS A 11 -5.169 -7.312 2.779 1.00 0.00 N ATOM 155 CA CYS A 11 -5.483 -6.302 1.783 1.00 0.00 C ATOM 156 C CYS A 11 -6.984 -6.362 1.494 1.00 0.00 C ATOM 157 O CYS A 11 -7.550 -7.445 1.352 1.00 0.00 O ATOM 158 CB CYS A 11 -4.650 -6.482 0.512 1.00 0.00 C ATOM 159 SG CYS A 11 -4.524 -4.990 -0.540 1.00 0.00 S ATOM 0 H CYS A 11 -4.552 -8.056 2.452 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.227 -5.315 2.170 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.645 -6.796 0.794 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.083 -7.290 -0.078 1.00 0.00 H new ATOM 164 N PRO A 12 -7.603 -5.154 1.415 1.00 0.00 N ATOM 165 CA PRO A 12 -9.028 -5.059 1.146 1.00 0.00 C ATOM 166 C PRO A 12 -9.328 -5.348 -0.326 1.00 0.00 C ATOM 167 O PRO A 12 -10.482 -5.561 -0.698 1.00 0.00 O ATOM 168 CB PRO A 12 -9.414 -3.650 1.565 1.00 0.00 C ATOM 169 CG PRO A 12 -8.117 -2.859 1.615 1.00 0.00 C ATOM 170 CD PRO A 12 -6.965 -3.851 1.578 1.00 0.00 C ATOM 0 HA PRO A 12 -9.610 -5.798 1.697 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.113 -3.209 0.854 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -9.907 -3.653 2.537 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.056 -2.172 0.771 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.072 -2.256 2.522 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.285 -3.637 0.754 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.377 -3.810 2.495 1.00 0.00 H new ATOM 178 N TYR A 13 -8.271 -5.347 -1.124 1.00 0.00 N ATOM 179 CA TYR A 13 -8.407 -5.607 -2.547 1.00 0.00 C ATOM 180 C TYR A 13 -7.782 -6.952 -2.921 1.00 0.00 C ATOM 181 O TYR A 13 -6.685 -7.278 -2.469 1.00 0.00 O ATOM 182 CB TYR A 13 -7.641 -4.487 -3.256 1.00 0.00 C ATOM 183 CG TYR A 13 -8.206 -3.089 -3.000 1.00 0.00 C ATOM 184 CD1 TYR A 13 -9.263 -2.623 -3.755 1.00 0.00 C ATOM 185 CD2 TYR A 13 -7.659 -2.293 -2.014 1.00 0.00 C ATOM 186 CE1 TYR A 13 -9.794 -1.306 -3.515 1.00 0.00 C ATOM 187 CE2 TYR A 13 -8.190 -0.976 -1.774 1.00 0.00 C ATOM 188 CZ TYR A 13 -9.232 -0.548 -2.536 1.00 0.00 C ATOM 189 OH TYR A 13 -9.734 0.696 -2.309 1.00 0.00 O ATOM 0 H TYR A 13 -7.316 -5.170 -0.812 1.00 0.00 H new ATOM 0 HA TYR A 13 -9.459 -5.640 -2.832 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.600 -4.512 -2.933 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.647 -4.679 -4.329 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -9.692 -3.246 -4.526 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.833 -2.658 -1.422 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -10.620 -0.929 -4.100 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -7.770 -0.343 -1.006 1.00 0.00 H new ATOM 0 HH TYR A 13 -9.236 1.122 -1.580 1.00 0.00 H new ATOM 199 N LYS A 14 -8.506 -7.697 -3.744 1.00 0.00 N ATOM 200 CA LYS A 14 -8.036 -8.999 -4.183 1.00 0.00 C ATOM 201 C LYS A 14 -7.914 -9.004 -5.709 1.00 0.00 C ATOM 202 O LYS A 14 -8.123 -10.034 -6.348 1.00 0.00 O ATOM 203 CB LYS A 14 -8.937 -10.107 -3.635 1.00 0.00 C ATOM 204 CG LYS A 14 -10.410 -9.694 -3.689 1.00 0.00 C ATOM 205 CD LYS A 14 -10.911 -9.639 -5.134 1.00 0.00 C ATOM 206 CE LYS A 14 -11.021 -8.193 -5.621 1.00 0.00 C ATOM 207 NZ LYS A 14 -12.105 -8.063 -6.620 1.00 0.00 N ATOM 0 H LYS A 14 -9.415 -7.423 -4.118 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.043 -9.200 -3.782 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.790 -11.019 -4.213 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.657 -10.333 -2.606 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.011 -10.402 -3.119 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.535 -8.718 -3.219 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.230 -10.193 -5.780 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.884 -10.125 -5.204 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.216 -7.532 -4.776 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.074 -7.878 -6.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.166 -7.075 -6.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.903 -8.679 -7.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.009 -8.344 -6.190 1.00 0.00 H new ATOM 221 N ASN A 15 -7.577 -7.842 -6.247 1.00 0.00 N ATOM 222 CA ASN A 15 -7.424 -7.699 -7.685 1.00 0.00 C ATOM 223 C ASN A 15 -5.949 -7.861 -8.056 1.00 0.00 C ATOM 224 O ASN A 15 -5.590 -8.762 -8.813 1.00 0.00 O ATOM 225 CB ASN A 15 -7.881 -6.316 -8.153 1.00 0.00 C ATOM 226 CG ASN A 15 -8.200 -6.321 -9.649 1.00 0.00 C ATOM 227 OD1 ASN A 15 -8.472 -7.348 -10.249 1.00 0.00 O ATOM 228 ND2 ASN A 15 -8.152 -5.119 -10.216 1.00 0.00 N ATOM 0 H ASN A 15 -7.405 -6.990 -5.713 1.00 0.00 H new ATOM 0 HA ASN A 15 -8.035 -8.462 -8.166 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -8.763 -6.011 -7.590 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -7.102 -5.582 -7.946 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -8.350 -5.016 -11.211 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.918 -4.300 -9.655 1.00 0.00 H new ATOM 235 N ASP A 16 -5.133 -6.974 -7.505 1.00 0.00 N ATOM 236 CA ASP A 16 -3.704 -7.007 -7.769 1.00 0.00 C ATOM 237 C ASP A 16 -2.982 -6.121 -6.751 1.00 0.00 C ATOM 238 O ASP A 16 -3.577 -5.203 -6.189 1.00 0.00 O ATOM 239 CB ASP A 16 -3.390 -6.473 -9.167 1.00 0.00 C ATOM 240 CG ASP A 16 -2.056 -6.941 -9.753 1.00 0.00 C ATOM 241 OD1 ASP A 16 -1.018 -6.424 -9.285 1.00 0.00 O ATOM 242 OD2 ASP A 16 -2.104 -7.804 -10.656 1.00 0.00 O ATOM 0 H ASP A 16 -5.434 -6.228 -6.877 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.371 -8.042 -7.695 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.191 -6.772 -9.842 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.392 -5.384 -9.133 1.00 0.00 H new ATOM 247 N SER A 17 -1.710 -6.428 -6.546 1.00 0.00 N ATOM 248 CA SER A 17 -0.900 -5.671 -5.606 1.00 0.00 C ATOM 249 C SER A 17 -0.758 -4.225 -6.084 1.00 0.00 C ATOM 250 O SER A 17 -0.700 -3.302 -5.272 1.00 0.00 O ATOM 251 CB SER A 17 0.479 -6.309 -5.429 1.00 0.00 C ATOM 252 OG SER A 17 1.138 -6.512 -6.676 1.00 0.00 O ATOM 0 H SER A 17 -1.220 -7.190 -7.014 1.00 0.00 H new ATOM 0 HA SER A 17 -1.401 -5.680 -4.638 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.094 -5.672 -4.794 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.373 -7.265 -4.915 1.00 0.00 H new ATOM 0 HG SER A 17 1.668 -5.719 -6.899 1.00 0.00 H new ATOM 258 N GLN A 18 -0.706 -4.072 -7.399 1.00 0.00 N ATOM 259 CA GLN A 18 -0.572 -2.753 -7.994 1.00 0.00 C ATOM 260 C GLN A 18 -1.833 -1.924 -7.737 1.00 0.00 C ATOM 261 O GLN A 18 -1.759 -0.705 -7.593 1.00 0.00 O ATOM 262 CB GLN A 18 -0.279 -2.855 -9.492 1.00 0.00 C ATOM 263 CG GLN A 18 1.228 -2.852 -9.757 1.00 0.00 C ATOM 264 CD GLN A 18 1.555 -3.574 -11.066 1.00 0.00 C ATOM 265 OE1 GLN A 18 0.995 -4.608 -11.392 1.00 0.00 O ATOM 266 NE2 GLN A 18 2.490 -2.972 -11.796 1.00 0.00 N ATOM 0 H GLN A 18 -0.754 -4.839 -8.069 1.00 0.00 H new ATOM 0 HA GLN A 18 0.273 -2.248 -7.525 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -0.720 -3.768 -9.891 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -0.746 -2.020 -10.015 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.591 -1.825 -9.803 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.747 -3.337 -8.930 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.918 -2.108 -11.464 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.778 -3.374 -12.688 1.00 0.00 H new ATOM 275 N LEU A 19 -2.960 -2.619 -7.688 1.00 0.00 N ATOM 276 CA LEU A 19 -4.234 -1.962 -7.451 1.00 0.00 C ATOM 277 C LEU A 19 -4.217 -1.309 -6.067 1.00 0.00 C ATOM 278 O LEU A 19 -4.282 -0.086 -5.954 1.00 0.00 O ATOM 279 CB LEU A 19 -5.389 -2.945 -7.652 1.00 0.00 C ATOM 280 CG LEU A 19 -6.780 -2.432 -7.276 1.00 0.00 C ATOM 281 CD1 LEU A 19 -7.422 -1.682 -8.445 1.00 0.00 C ATOM 282 CD2 LEU A 19 -7.667 -3.571 -6.769 1.00 0.00 C ATOM 0 H LEU A 19 -3.017 -3.630 -7.808 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.393 -1.166 -8.178 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.406 -3.246 -8.700 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.183 -3.841 -7.066 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.672 -1.721 -6.457 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.410 -1.328 -8.151 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.798 -0.831 -8.718 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.516 -2.352 -9.300 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.650 -3.178 -6.509 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.772 -4.325 -7.549 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.211 -4.022 -5.887 1.00 0.00 H new ATOM 294 N ALA A 20 -4.128 -2.154 -5.050 1.00 0.00 N ATOM 295 CA ALA A 20 -4.101 -1.674 -3.679 1.00 0.00 C ATOM 296 C ALA A 20 -2.943 -0.688 -3.511 1.00 0.00 C ATOM 297 O ALA A 20 -3.042 0.266 -2.741 1.00 0.00 O ATOM 298 CB ALA A 20 -3.996 -2.864 -2.723 1.00 0.00 C ATOM 0 H ALA A 20 -4.074 -3.168 -5.148 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.023 -1.144 -3.440 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.976 -2.504 -1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.856 -3.519 -2.861 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.081 -3.418 -2.931 1.00 0.00 H new ATOM 304 N TRP A 21 -1.871 -0.952 -4.244 1.00 0.00 N ATOM 305 CA TRP A 21 -0.696 -0.100 -4.186 1.00 0.00 C ATOM 306 C TRP A 21 -1.072 1.264 -4.768 1.00 0.00 C ATOM 307 O TRP A 21 -0.731 2.301 -4.199 1.00 0.00 O ATOM 308 CB TRP A 21 0.489 -0.750 -4.903 1.00 0.00 C ATOM 309 CG TRP A 21 1.645 0.210 -5.191 1.00 0.00 C ATOM 310 CD1 TRP A 21 1.830 0.978 -6.274 1.00 0.00 C ATOM 311 CD2 TRP A 21 2.776 0.475 -4.335 1.00 0.00 C ATOM 312 NE1 TRP A 21 2.992 1.715 -6.178 1.00 0.00 N ATOM 313 CE2 TRP A 21 3.586 1.399 -4.962 1.00 0.00 C ATOM 314 CE3 TRP A 21 3.104 -0.050 -3.072 1.00 0.00 C ATOM 315 CZ2 TRP A 21 4.776 1.880 -4.403 1.00 0.00 C ATOM 316 CZ3 TRP A 21 4.296 0.441 -2.527 1.00 0.00 C ATOM 317 CH2 TRP A 21 5.123 1.372 -3.145 1.00 0.00 C ATOM 0 H TRP A 21 -1.792 -1.744 -4.881 1.00 0.00 H new ATOM 0 HA TRP A 21 -0.371 0.039 -3.155 1.00 0.00 H new ATOM 0 HB2 TRP A 21 0.859 -1.576 -4.296 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.142 -1.177 -5.844 1.00 0.00 H new ATOM 0 HD1 TRP A 21 1.154 1.015 -7.116 1.00 0.00 H new ATOM 0 HE1 TRP A 21 3.350 2.371 -6.872 1.00 0.00 H new ATOM 0 HE3 TRP A 21 2.485 -0.774 -2.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 5.393 2.604 -4.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.594 0.070 -1.558 1.00 0.00 H new ATOM 0 HH2 TRP A 21 6.028 1.702 -2.657 1.00 0.00 H new ATOM 328 N ASP A 22 -1.769 1.220 -5.894 1.00 0.00 N ATOM 329 CA ASP A 22 -2.194 2.440 -6.559 1.00 0.00 C ATOM 330 C ASP A 22 -3.200 3.175 -5.671 1.00 0.00 C ATOM 331 O ASP A 22 -3.370 4.388 -5.792 1.00 0.00 O ATOM 332 CB ASP A 22 -2.878 2.130 -7.892 1.00 0.00 C ATOM 333 CG ASP A 22 -2.856 3.272 -8.910 1.00 0.00 C ATOM 334 OD1 ASP A 22 -1.800 3.936 -8.994 1.00 0.00 O ATOM 335 OD2 ASP A 22 -3.894 3.454 -9.582 1.00 0.00 O ATOM 0 H ASP A 22 -2.050 0.359 -6.363 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.310 3.051 -6.741 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.397 1.258 -8.336 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.915 1.857 -7.696 1.00 0.00 H new ATOM 340 N THR A 23 -3.841 2.411 -4.798 1.00 0.00 N ATOM 341 CA THR A 23 -4.825 2.975 -3.890 1.00 0.00 C ATOM 342 C THR A 23 -4.139 3.832 -2.825 1.00 0.00 C ATOM 343 O THR A 23 -4.351 5.043 -2.766 1.00 0.00 O ATOM 344 CB THR A 23 -5.645 1.823 -3.307 1.00 0.00 C ATOM 345 OG1 THR A 23 -6.802 1.766 -4.137 1.00 0.00 O ATOM 346 CG2 THR A 23 -6.199 2.143 -1.917 1.00 0.00 C ATOM 0 H THR A 23 -3.698 1.406 -4.701 1.00 0.00 H new ATOM 0 HA THR A 23 -5.506 3.646 -4.413 1.00 0.00 H new ATOM 0 HB THR A 23 -5.026 0.928 -3.253 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.461 1.160 -3.738 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.773 1.292 -1.549 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.374 2.346 -1.234 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.845 3.019 -1.976 1.00 0.00 H new ATOM 354 N CYS A 24 -3.330 3.171 -2.010 1.00 0.00 N ATOM 355 CA CYS A 24 -2.611 3.858 -0.950 1.00 0.00 C ATOM 356 C CYS A 24 -1.351 4.483 -1.551 1.00 0.00 C ATOM 357 O CYS A 24 -1.175 5.700 -1.506 1.00 0.00 O ATOM 358 CB CYS A 24 -2.283 2.918 0.212 1.00 0.00 C ATOM 359 SG CYS A 24 -0.631 3.167 0.958 1.00 0.00 S ATOM 0 H CYS A 24 -3.156 2.167 -2.062 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.240 4.643 -0.530 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.039 3.044 0.987 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.356 1.889 -0.140 1.00 0.00 H new ATOM 364 N SER A 25 -0.506 3.623 -2.100 1.00 0.00 N ATOM 365 CA SER A 25 0.733 4.076 -2.709 1.00 0.00 C ATOM 366 C SER A 25 0.446 4.697 -4.078 1.00 0.00 C ATOM 367 O SER A 25 1.036 4.297 -5.081 1.00 0.00 O ATOM 368 CB SER A 25 1.732 2.925 -2.847 1.00 0.00 C ATOM 369 OG SER A 25 1.096 1.653 -2.759 1.00 0.00 O ATOM 0 H SER A 25 -0.655 2.615 -2.136 1.00 0.00 H new ATOM 0 HA SER A 25 1.177 4.831 -2.060 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.249 3.006 -3.803 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.489 3.007 -2.067 1.00 0.00 H new ATOM 0 HG SER A 25 1.630 0.986 -3.240 1.00 0.00 H new ATOM 375 N GLY A 26 -0.459 5.664 -4.075 1.00 0.00 N ATOM 376 CA GLY A 26 -0.831 6.345 -5.304 1.00 0.00 C ATOM 377 C GLY A 26 -0.932 7.855 -5.085 1.00 0.00 C ATOM 378 O GLY A 26 -0.002 8.476 -4.572 1.00 0.00 O ATOM 0 H GLY A 26 -0.946 5.993 -3.241 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.093 6.135 -6.078 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.786 5.961 -5.662 1.00 0.00 H new ATOM 382 N GLY A 27 -2.070 8.404 -5.486 1.00 0.00 N ATOM 383 CA GLY A 27 -2.305 9.830 -5.340 1.00 0.00 C ATOM 384 C GLY A 27 -3.278 10.111 -4.194 1.00 0.00 C ATOM 385 O GLY A 27 -2.974 10.893 -3.294 1.00 0.00 O ATOM 0 H GLY A 27 -2.839 7.886 -5.912 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.360 10.341 -5.153 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.707 10.233 -6.270 1.00 0.00 H new ATOM 389 N THR A 28 -4.429 9.458 -4.263 1.00 0.00 N ATOM 390 CA THR A 28 -5.449 9.628 -3.242 1.00 0.00 C ATOM 391 C THR A 28 -5.860 8.271 -2.668 1.00 0.00 C ATOM 392 O THR A 28 -5.069 7.328 -2.667 1.00 0.00 O ATOM 393 CB THR A 28 -6.613 10.404 -3.861 1.00 0.00 C ATOM 394 OG1 THR A 28 -7.112 9.533 -4.873 1.00 0.00 O ATOM 395 CG2 THR A 28 -6.149 11.642 -4.631 1.00 0.00 C ATOM 0 H THR A 28 -4.678 8.810 -5.010 1.00 0.00 H new ATOM 0 HA THR A 28 -5.070 10.202 -2.396 1.00 0.00 H new ATOM 0 HB THR A 28 -7.307 10.704 -3.076 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.871 9.957 -5.325 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.014 12.156 -5.050 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.620 12.314 -3.955 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.481 11.340 -5.438 1.00 0.00 H new ATOM 403 N GLY A 29 -7.096 8.215 -2.194 1.00 0.00 N ATOM 404 CA GLY A 29 -7.621 6.988 -1.619 1.00 0.00 C ATOM 405 C GLY A 29 -7.329 6.918 -0.118 1.00 0.00 C ATOM 406 O GLY A 29 -7.689 7.824 0.631 1.00 0.00 O ATOM 0 H GLY A 29 -7.749 8.999 -2.196 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.697 6.934 -1.787 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.177 6.128 -2.120 1.00 0.00 H new ATOM 410 N ASN A 30 -6.680 5.832 0.275 1.00 0.00 N ATOM 411 CA ASN A 30 -6.336 5.631 1.673 1.00 0.00 C ATOM 412 C ASN A 30 -4.822 5.443 1.798 1.00 0.00 C ATOM 413 O ASN A 30 -4.361 4.420 2.302 1.00 0.00 O ATOM 414 CB ASN A 30 -7.016 4.381 2.233 1.00 0.00 C ATOM 415 CG ASN A 30 -7.108 3.284 1.171 1.00 0.00 C ATOM 416 OD1 ASN A 30 -6.266 2.406 1.074 1.00 0.00 O ATOM 417 ND2 ASN A 30 -8.174 3.382 0.383 1.00 0.00 N ATOM 0 H ASN A 30 -6.383 5.082 -0.350 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.671 6.504 2.233 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.457 4.013 3.093 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.015 4.634 2.587 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -8.326 2.697 -0.357 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -8.840 4.142 0.519 1.00 0.00 H new ATOM 424 N CYS A 31 -4.092 6.445 1.332 1.00 0.00 N ATOM 425 CA CYS A 31 -2.641 6.403 1.386 1.00 0.00 C ATOM 426 C CYS A 31 -2.205 6.689 2.825 1.00 0.00 C ATOM 427 O CYS A 31 -2.675 7.644 3.441 1.00 0.00 O ATOM 428 CB CYS A 31 -2.009 7.381 0.394 1.00 0.00 C ATOM 429 SG CYS A 31 -1.990 9.126 0.942 1.00 0.00 S ATOM 0 H CYS A 31 -4.479 7.292 0.915 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.293 5.413 1.091 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -0.984 7.066 0.197 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.549 7.318 -0.551 1.00 0.00 H new ATOM 434 N GLY A 32 -1.313 5.843 3.318 1.00 0.00 N ATOM 435 CA GLY A 32 -0.808 5.993 4.672 1.00 0.00 C ATOM 436 C GLY A 32 0.274 4.954 4.973 1.00 0.00 C ATOM 437 O GLY A 32 0.615 4.142 4.114 1.00 0.00 O ATOM 0 H GLY A 32 -0.927 5.051 2.804 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.401 6.996 4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.627 5.886 5.383 1.00 0.00 H new ATOM 441 N THR A 33 0.784 5.014 6.194 1.00 0.00 N ATOM 442 CA THR A 33 1.821 4.088 6.618 1.00 0.00 C ATOM 443 C THR A 33 1.198 2.786 7.126 1.00 0.00 C ATOM 444 O THR A 33 1.912 1.840 7.455 1.00 0.00 O ATOM 445 CB THR A 33 2.688 4.795 7.662 1.00 0.00 C ATOM 446 OG1 THR A 33 3.208 5.928 6.972 1.00 0.00 O ATOM 447 CG2 THR A 33 3.930 3.985 8.038 1.00 0.00 C ATOM 0 H THR A 33 0.499 5.689 6.903 1.00 0.00 H new ATOM 0 HA THR A 33 2.461 3.801 5.783 1.00 0.00 H new ATOM 0 HB THR A 33 2.095 4.986 8.557 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.781 6.445 7.576 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.510 4.532 8.782 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.626 3.023 8.451 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.541 3.822 7.150 1.00 0.00 H new ATOM 455 N VAL A 34 -0.126 2.780 7.173 1.00 0.00 N ATOM 456 CA VAL A 34 -0.852 1.609 7.635 1.00 0.00 C ATOM 457 C VAL A 34 -0.987 0.610 6.484 1.00 0.00 C ATOM 458 O VAL A 34 -0.954 -0.600 6.701 1.00 0.00 O ATOM 459 CB VAL A 34 -2.201 2.029 8.222 1.00 0.00 C ATOM 460 CG1 VAL A 34 -3.075 0.808 8.517 1.00 0.00 C ATOM 461 CG2 VAL A 34 -2.011 2.883 9.478 1.00 0.00 C ATOM 0 H VAL A 34 -0.715 3.567 6.899 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.304 1.111 8.435 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.715 2.637 7.478 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.028 1.135 8.933 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.252 0.256 7.594 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.568 0.162 9.234 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.985 3.168 9.875 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.467 2.310 10.229 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.445 3.780 9.226 1.00 0.00 H new ATOM 471 N CYS A 35 -1.134 1.154 5.285 1.00 0.00 N ATOM 472 CA CYS A 35 -1.274 0.326 4.099 1.00 0.00 C ATOM 473 C CYS A 35 0.014 -0.481 3.923 1.00 0.00 C ATOM 474 O CYS A 35 0.054 -1.430 3.141 1.00 0.00 O ATOM 475 CB CYS A 35 -1.597 1.162 2.859 1.00 0.00 C ATOM 476 SG CYS A 35 -0.297 1.158 1.571 1.00 0.00 S ATOM 0 H CYS A 35 -1.159 2.158 5.109 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.115 -0.355 4.226 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.524 0.793 2.421 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.778 2.191 3.169 1.00 0.00 H new ATOM 481 N CYS A 36 1.035 -0.076 4.664 1.00 0.00 N ATOM 482 CA CYS A 36 2.320 -0.750 4.600 1.00 0.00 C ATOM 483 C CYS A 36 2.097 -2.238 4.878 1.00 0.00 C ATOM 484 O CYS A 36 2.079 -3.049 3.954 1.00 0.00 O ATOM 485 CB CYS A 36 3.331 -0.133 5.569 1.00 0.00 C ATOM 486 SG CYS A 36 3.664 1.646 5.302 1.00 0.00 S ATOM 0 H CYS A 36 0.998 0.711 5.312 1.00 0.00 H new ATOM 0 HA CYS A 36 2.748 -0.628 3.605 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.968 -0.271 6.587 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.270 -0.680 5.489 1.00 0.00 H new ATOM 0 HG CYS A 36 4.849 1.793 4.789 1.00 0.00 H new ATOM 491 N GLY A 37 1.933 -2.550 6.155 1.00 0.00 N ATOM 492 CA GLY A 37 1.712 -3.926 6.566 1.00 0.00 C ATOM 493 C GLY A 37 0.225 -4.281 6.516 1.00 0.00 C ATOM 494 O GLY A 37 -0.290 -4.940 7.418 1.00 0.00 O ATOM 0 H GLY A 37 1.949 -1.874 6.919 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.272 -4.598 5.916 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.091 -4.072 7.578 1.00 0.00 H new ATOM 498 N GLN A 38 -0.424 -3.828 5.454 1.00 0.00 N ATOM 499 CA GLN A 38 -1.842 -4.089 5.275 1.00 0.00 C ATOM 500 C GLN A 38 -2.088 -4.801 3.943 1.00 0.00 C ATOM 501 O GLN A 38 -2.890 -5.730 3.870 1.00 0.00 O ATOM 502 CB GLN A 38 -2.654 -2.795 5.363 1.00 0.00 C ATOM 503 CG GLN A 38 -4.119 -3.087 5.694 1.00 0.00 C ATOM 504 CD GLN A 38 -4.313 -3.282 7.199 1.00 0.00 C ATOM 505 OE1 GLN A 38 -3.385 -3.566 7.939 1.00 0.00 O ATOM 506 NE2 GLN A 38 -5.567 -3.116 7.609 1.00 0.00 N ATOM 0 H GLN A 38 0.006 -3.281 4.708 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.175 -4.743 6.081 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.228 -2.145 6.127 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.592 -2.258 4.417 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.745 -2.265 5.347 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.444 -3.982 5.163 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.296 -2.879 6.936 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.800 -3.226 8.596 1.00 0.00 H new ATOM 515 N CYS A 39 -1.382 -4.337 2.922 1.00 0.00 N ATOM 516 CA CYS A 39 -1.513 -4.917 1.597 1.00 0.00 C ATOM 517 C CYS A 39 -0.183 -5.579 1.229 1.00 0.00 C ATOM 518 O CYS A 39 -0.158 -6.559 0.486 1.00 0.00 O ATOM 519 CB CYS A 39 -1.937 -3.874 0.562 1.00 0.00 C ATOM 520 SG CYS A 39 -3.731 -3.514 0.525 1.00 0.00 S ATOM 0 H CYS A 39 -0.717 -3.566 2.986 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.303 -5.668 1.603 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.399 -2.947 0.760 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.629 -4.217 -0.426 1.00 0.00 H new ATOM 525 N PHE A 40 0.890 -5.016 1.765 1.00 0.00 N ATOM 526 CA PHE A 40 2.220 -5.539 1.502 1.00 0.00 C ATOM 527 C PHE A 40 3.029 -5.654 2.795 1.00 0.00 C ATOM 528 O PHE A 40 2.519 -5.371 3.878 1.00 0.00 O ATOM 529 CB PHE A 40 2.914 -4.546 0.567 1.00 0.00 C ATOM 530 CG PHE A 40 1.966 -3.842 -0.406 1.00 0.00 C ATOM 531 CD1 PHE A 40 1.198 -2.805 0.023 1.00 0.00 C ATOM 532 CD2 PHE A 40 1.893 -4.252 -1.701 1.00 0.00 C ATOM 533 CE1 PHE A 40 0.319 -2.151 -0.880 1.00 0.00 C ATOM 534 CE2 PHE A 40 1.014 -3.598 -2.604 1.00 0.00 C ATOM 535 CZ PHE A 40 0.245 -2.561 -2.174 1.00 0.00 C ATOM 0 H PHE A 40 0.865 -4.203 2.380 1.00 0.00 H new ATOM 0 HA PHE A 40 2.149 -6.533 1.060 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.426 -3.794 1.167 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.678 -5.073 -0.004 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.257 -2.479 1.051 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.504 -5.075 -2.042 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.291 -1.328 -0.539 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.956 -3.924 -3.632 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.424 -2.064 -2.861 1.00 0.00 H new ATOM 545 N SER A 41 4.278 -6.070 2.640 1.00 0.00 N ATOM 546 CA SER A 41 5.163 -6.226 3.781 1.00 0.00 C ATOM 547 C SER A 41 6.573 -5.758 3.418 1.00 0.00 C ATOM 548 O SER A 41 6.936 -5.722 2.243 1.00 0.00 O ATOM 549 CB SER A 41 5.192 -7.678 4.261 1.00 0.00 C ATOM 550 OG SER A 41 4.139 -7.959 5.179 1.00 0.00 O ATOM 0 H SER A 41 4.698 -6.304 1.740 1.00 0.00 H new ATOM 0 HA SER A 41 4.782 -5.610 4.596 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.112 -8.345 3.403 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.151 -7.883 4.736 1.00 0.00 H new ATOM 0 HG SER A 41 4.192 -8.896 5.460 1.00 0.00 H new ATOM 556 N PHE A 42 7.331 -5.412 4.448 1.00 0.00 N ATOM 557 CA PHE A 42 8.694 -4.948 4.252 1.00 0.00 C ATOM 558 C PHE A 42 9.511 -5.967 3.454 1.00 0.00 C ATOM 559 O PHE A 42 9.201 -7.157 3.461 1.00 0.00 O ATOM 560 CB PHE A 42 9.316 -4.788 5.640 1.00 0.00 C ATOM 561 CG PHE A 42 9.916 -3.404 5.898 1.00 0.00 C ATOM 562 CD1 PHE A 42 9.098 -2.340 6.121 1.00 0.00 C ATOM 563 CD2 PHE A 42 11.265 -3.238 5.904 1.00 0.00 C ATOM 564 CE1 PHE A 42 9.654 -1.056 6.360 1.00 0.00 C ATOM 565 CE2 PHE A 42 11.821 -1.953 6.144 1.00 0.00 C ATOM 566 CZ PHE A 42 11.004 -0.889 6.367 1.00 0.00 C ATOM 0 H PHE A 42 7.027 -5.444 5.421 1.00 0.00 H new ATOM 0 HA PHE A 42 8.691 -4.010 3.697 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.554 -4.989 6.393 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.095 -5.540 5.766 1.00 0.00 H new ATOM 0 HD1 PHE A 42 8.026 -2.472 6.116 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.914 -4.083 5.726 1.00 0.00 H new ATOM 0 HE1 PHE A 42 9.005 -0.211 6.536 1.00 0.00 H new ATOM 0 HE2 PHE A 42 12.893 -1.821 6.149 1.00 0.00 H new ATOM 0 HZ PHE A 42 11.427 0.088 6.550 1.00 0.00 H new ATOM 576 N PRO A 43 10.564 -5.449 2.768 1.00 0.00 N ATOM 577 CA PRO A 43 10.861 -4.027 2.814 1.00 0.00 C ATOM 578 C PRO A 43 9.870 -3.232 1.961 1.00 0.00 C ATOM 579 O PRO A 43 10.042 -2.031 1.762 1.00 0.00 O ATOM 580 CB PRO A 43 12.295 -3.908 2.325 1.00 0.00 C ATOM 581 CG PRO A 43 12.592 -5.203 1.586 1.00 0.00 C ATOM 582 CD PRO A 43 11.498 -6.200 1.934 1.00 0.00 C ATOM 0 HA PRO A 43 10.760 -3.609 3.815 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.413 -3.047 1.667 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.982 -3.768 3.160 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.623 -5.030 0.510 1.00 0.00 H new ATOM 0 HG3 PRO A 43 13.569 -5.592 1.874 1.00 0.00 H new ATOM 0 HD2 PRO A 43 11.010 -6.581 1.037 1.00 0.00 H new ATOM 0 HD3 PRO A 43 11.902 -7.061 2.468 1.00 0.00 H new ATOM 590 N VAL A 44 8.856 -3.936 1.480 1.00 0.00 N ATOM 591 CA VAL A 44 7.837 -3.311 0.653 1.00 0.00 C ATOM 592 C VAL A 44 6.981 -2.385 1.518 1.00 0.00 C ATOM 593 O VAL A 44 6.582 -1.309 1.076 1.00 0.00 O ATOM 594 CB VAL A 44 7.018 -4.384 -0.068 1.00 0.00 C ATOM 595 CG1 VAL A 44 6.370 -3.820 -1.334 1.00 0.00 C ATOM 596 CG2 VAL A 44 7.879 -5.607 -0.390 1.00 0.00 C ATOM 0 H VAL A 44 8.718 -4.933 1.647 1.00 0.00 H new ATOM 0 HA VAL A 44 8.297 -2.697 -0.122 1.00 0.00 H new ATOM 0 HB VAL A 44 6.220 -4.704 0.602 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.794 -4.603 -1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.709 -2.996 -1.068 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.145 -3.459 -2.010 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.273 -6.354 -0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.708 -5.310 -1.033 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.271 -6.030 0.535 1.00 0.00 H new ATOM 606 N SER A 45 6.722 -2.838 2.737 1.00 0.00 N ATOM 607 CA SER A 45 5.920 -2.064 3.668 1.00 0.00 C ATOM 608 C SER A 45 6.484 -0.647 3.793 1.00 0.00 C ATOM 609 O SER A 45 5.792 0.263 4.246 1.00 0.00 O ATOM 610 CB SER A 45 5.867 -2.737 5.041 1.00 0.00 C ATOM 611 OG SER A 45 5.976 -1.793 6.103 1.00 0.00 O ATOM 0 H SER A 45 7.054 -3.731 3.100 1.00 0.00 H new ATOM 0 HA SER A 45 4.903 -2.010 3.280 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.931 -3.287 5.139 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.674 -3.465 5.119 1.00 0.00 H new ATOM 0 HG SER A 45 5.256 -1.944 6.750 1.00 0.00 H new ATOM 617 N GLN A 46 7.736 -0.505 3.383 1.00 0.00 N ATOM 618 CA GLN A 46 8.401 0.786 3.443 1.00 0.00 C ATOM 619 C GLN A 46 8.116 1.589 2.172 1.00 0.00 C ATOM 620 O GLN A 46 8.187 2.817 2.182 1.00 0.00 O ATOM 621 CB GLN A 46 9.906 0.617 3.659 1.00 0.00 C ATOM 622 CG GLN A 46 10.487 1.809 4.423 1.00 0.00 C ATOM 623 CD GLN A 46 11.845 2.219 3.849 1.00 0.00 C ATOM 624 OE1 GLN A 46 12.155 1.985 2.692 1.00 0.00 O ATOM 625 NE2 GLN A 46 12.635 2.841 4.719 1.00 0.00 N ATOM 0 H GLN A 46 8.307 -1.262 3.008 1.00 0.00 H new ATOM 0 HA GLN A 46 8.005 1.339 4.295 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.097 -0.302 4.213 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.407 0.519 2.696 1.00 0.00 H new ATOM 0 HG2 GLN A 46 9.797 2.651 4.370 1.00 0.00 H new ATOM 0 HG3 GLN A 46 10.596 1.552 5.477 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.313 3.005 5.673 1.00 0.00 H new ATOM 0 HE22 GLN A 46 13.563 3.154 4.432 1.00 0.00 H new ATOM 634 N SER A 47 7.800 0.864 1.110 1.00 0.00 N ATOM 635 CA SER A 47 7.504 1.494 -0.166 1.00 0.00 C ATOM 636 C SER A 47 6.108 2.118 -0.130 1.00 0.00 C ATOM 637 O SER A 47 5.891 3.196 -0.681 1.00 0.00 O ATOM 638 CB SER A 47 7.607 0.488 -1.314 1.00 0.00 C ATOM 639 OG SER A 47 8.451 -0.612 -0.986 1.00 0.00 O ATOM 0 H SER A 47 7.742 -0.154 1.106 1.00 0.00 H new ATOM 0 HA SER A 47 8.241 2.278 -0.339 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.612 0.120 -1.563 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.993 0.989 -2.202 1.00 0.00 H new ATOM 0 HG SER A 47 8.489 -1.232 -1.744 1.00 0.00 H new ATOM 645 N CYS A 48 5.196 1.413 0.525 1.00 0.00 N ATOM 646 CA CYS A 48 3.827 1.885 0.640 1.00 0.00 C ATOM 647 C CYS A 48 3.854 3.306 1.207 1.00 0.00 C ATOM 648 O CYS A 48 3.466 4.256 0.529 1.00 0.00 O ATOM 649 CB CYS A 48 2.975 0.945 1.496 1.00 0.00 C ATOM 650 SG CYS A 48 1.473 1.707 2.211 1.00 0.00 S ATOM 0 H CYS A 48 5.379 0.519 0.981 1.00 0.00 H new ATOM 0 HA CYS A 48 3.360 1.897 -0.345 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.677 0.091 0.887 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.591 0.558 2.308 1.00 0.00 H new ATOM 655 N ALA A 49 4.315 3.406 2.445 1.00 0.00 N ATOM 656 CA ALA A 49 4.398 4.695 3.110 1.00 0.00 C ATOM 657 C ALA A 49 5.266 5.640 2.277 1.00 0.00 C ATOM 658 O ALA A 49 5.205 6.857 2.446 1.00 0.00 O ATOM 659 CB ALA A 49 4.939 4.504 4.528 1.00 0.00 C ATOM 0 H ALA A 49 4.635 2.616 3.005 1.00 0.00 H new ATOM 0 HA ALA A 49 3.410 5.146 3.196 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.001 5.471 5.027 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.271 3.849 5.087 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.931 4.055 4.481 1.00 0.00 H new ATOM 665 N GLY A 50 6.055 5.044 1.395 1.00 0.00 N ATOM 666 CA GLY A 50 6.935 5.817 0.535 1.00 0.00 C ATOM 667 C GLY A 50 6.165 6.410 -0.646 1.00 0.00 C ATOM 668 O GLY A 50 6.166 7.624 -0.846 1.00 0.00 O ATOM 0 H GLY A 50 6.103 4.034 1.257 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.400 6.618 1.110 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.740 5.181 0.166 1.00 0.00 H new ATOM 672 N MET A 51 5.525 5.526 -1.398 1.00 0.00 N ATOM 673 CA MET A 51 4.753 5.947 -2.554 1.00 0.00 C ATOM 674 C MET A 51 3.326 6.326 -2.151 1.00 0.00 C ATOM 675 O MET A 51 2.420 6.318 -2.983 1.00 0.00 O ATOM 676 CB MET A 51 4.710 4.813 -3.580 1.00 0.00 C ATOM 677 CG MET A 51 4.428 5.354 -4.984 1.00 0.00 C ATOM 678 SD MET A 51 5.783 6.382 -5.525 1.00 0.00 S ATOM 679 CE MET A 51 6.512 5.313 -6.754 1.00 0.00 C ATOM 0 H MET A 51 5.526 4.520 -1.229 1.00 0.00 H new ATOM 0 HA MET A 51 5.233 6.824 -2.989 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.660 4.278 -3.576 1.00 0.00 H new ATOM 0 HB3 MET A 51 3.939 4.095 -3.301 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.288 4.527 -5.680 1.00 0.00 H new ATOM 0 HG3 MET A 51 3.502 5.929 -4.982 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.379 5.805 -7.196 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.824 4.380 -6.285 1.00 0.00 H new ATOM 0 HE3 MET A 51 5.779 5.101 -7.532 1.00 0.00 H new ATOM 689 N ALA A 52 3.171 6.649 -0.876 1.00 0.00 N ATOM 690 CA ALA A 52 1.870 7.030 -0.353 1.00 0.00 C ATOM 691 C ALA A 52 1.652 8.527 -0.581 1.00 0.00 C ATOM 692 O ALA A 52 1.185 9.233 0.311 1.00 0.00 O ATOM 693 CB ALA A 52 1.782 6.647 1.126 1.00 0.00 C ATOM 0 H ALA A 52 3.925 6.655 -0.189 1.00 0.00 H new ATOM 0 HA ALA A 52 1.075 6.498 -0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.806 6.933 1.518 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.914 5.570 1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.563 7.165 1.683 1.00 0.00 H new ATOM 699 N ASP A 53 2.000 8.967 -1.782 1.00 0.00 N ATOM 700 CA ASP A 53 1.848 10.367 -2.139 1.00 0.00 C ATOM 701 C ASP A 53 2.567 11.234 -1.103 1.00 0.00 C ATOM 702 O ASP A 53 3.006 10.735 -0.068 1.00 0.00 O ATOM 703 CB ASP A 53 0.374 10.774 -2.155 1.00 0.00 C ATOM 704 CG ASP A 53 0.073 12.086 -2.884 1.00 0.00 C ATOM 705 OD1 ASP A 53 1.052 12.735 -3.312 1.00 0.00 O ATOM 706 OD2 ASP A 53 -1.129 12.410 -2.996 1.00 0.00 O ATOM 0 H ASP A 53 2.387 8.378 -2.520 1.00 0.00 H new ATOM 0 HA ASP A 53 2.272 10.510 -3.133 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.203 9.976 -2.622 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.025 10.859 -1.126 1.00 0.00 H new ATOM 711 N SER A 54 2.664 12.517 -1.417 1.00 0.00 N ATOM 712 CA SER A 54 3.321 13.458 -0.526 1.00 0.00 C ATOM 713 C SER A 54 2.276 14.301 0.208 1.00 0.00 C ATOM 714 O SER A 54 1.815 13.925 1.285 1.00 0.00 O ATOM 715 CB SER A 54 4.287 14.362 -1.295 1.00 0.00 C ATOM 716 OG SER A 54 5.637 13.921 -1.180 1.00 0.00 O ATOM 0 H SER A 54 2.299 12.927 -2.276 1.00 0.00 H new ATOM 0 HA SER A 54 3.899 12.891 0.204 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.002 14.386 -2.347 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.206 15.382 -0.920 1.00 0.00 H new ATOM 0 HG SER A 54 6.222 14.523 -1.686 1.00 0.00 H new ATOM 722 N ASN A 55 1.934 15.425 -0.403 1.00 0.00 N ATOM 723 CA ASN A 55 0.952 16.325 0.179 1.00 0.00 C ATOM 724 C ASN A 55 -0.280 16.382 -0.726 1.00 0.00 C ATOM 725 O ASN A 55 -1.306 16.946 -0.348 1.00 0.00 O ATOM 726 CB ASN A 55 1.512 17.743 0.307 1.00 0.00 C ATOM 727 CG ASN A 55 1.203 18.332 1.684 1.00 0.00 C ATOM 728 OD1 ASN A 55 2.042 18.385 2.568 1.00 0.00 O ATOM 729 ND2 ASN A 55 -0.046 18.771 1.818 1.00 0.00 N ATOM 0 H ASN A 55 2.319 15.734 -1.296 1.00 0.00 H new ATOM 0 HA ASN A 55 0.695 15.949 1.169 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.590 17.728 0.148 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.084 18.378 -0.469 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.350 19.182 2.701 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.699 18.697 1.038 1.00 0.00 H new ATOM 736 N ASP A 56 -0.139 15.791 -1.903 1.00 0.00 N ATOM 737 CA ASP A 56 -1.228 15.768 -2.865 1.00 0.00 C ATOM 738 C ASP A 56 -2.285 14.761 -2.408 1.00 0.00 C ATOM 739 O ASP A 56 -3.332 14.625 -3.039 1.00 0.00 O ATOM 740 CB ASP A 56 -0.733 15.340 -4.247 1.00 0.00 C ATOM 741 CG ASP A 56 0.091 16.391 -4.994 1.00 0.00 C ATOM 742 OD1 ASP A 56 1.143 16.782 -4.444 1.00 0.00 O ATOM 743 OD2 ASP A 56 -0.349 16.779 -6.097 1.00 0.00 O ATOM 0 H ASP A 56 0.713 15.324 -2.213 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.645 16.773 -2.927 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.130 14.439 -4.137 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.595 15.074 -4.859 1.00 0.00 H new ATOM 748 N CYS A 57 -1.974 14.081 -1.314 1.00 0.00 N ATOM 749 CA CYS A 57 -2.884 13.090 -0.765 1.00 0.00 C ATOM 750 C CYS A 57 -3.892 13.809 0.134 1.00 0.00 C ATOM 751 O CYS A 57 -3.605 14.884 0.658 1.00 0.00 O ATOM 752 CB CYS A 57 -2.134 11.987 -0.015 1.00 0.00 C ATOM 753 SG CYS A 57 -2.479 10.289 -0.602 1.00 0.00 S ATOM 0 H CYS A 57 -1.105 14.197 -0.793 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.414 12.591 -1.576 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.063 12.174 -0.097 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.388 12.049 1.043 1.00 0.00 H new ATOM 758 N PRO A 58 -5.082 13.170 0.290 1.00 0.00 N ATOM 759 CA PRO A 58 -6.134 13.737 1.117 1.00 0.00 C ATOM 760 C PRO A 58 -5.812 13.571 2.603 1.00 0.00 C ATOM 761 O PRO A 58 -6.604 13.004 3.354 1.00 0.00 O ATOM 762 CB PRO A 58 -7.400 13.007 0.699 1.00 0.00 C ATOM 763 CG PRO A 58 -6.938 11.743 -0.008 1.00 0.00 C ATOM 764 CD PRO A 58 -5.457 11.895 -0.315 1.00 0.00 C ATOM 0 HA PRO A 58 -6.245 14.812 0.977 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.016 12.767 1.565 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -8.007 13.625 0.037 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.110 10.869 0.621 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.505 11.591 -0.927 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.879 11.072 0.105 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.273 11.897 -1.389 1.00 0.00 H new ATOM 772 N ASN A 59 -4.647 14.077 2.983 1.00 0.00 N ATOM 773 CA ASN A 59 -4.210 13.992 4.367 1.00 0.00 C ATOM 774 C ASN A 59 -4.665 15.245 5.118 1.00 0.00 C ATOM 775 O ASN A 59 -5.005 16.253 4.502 1.00 0.00 O ATOM 776 CB ASN A 59 -2.685 13.912 4.459 1.00 0.00 C ATOM 777 CG ASN A 59 -2.171 12.582 3.905 1.00 0.00 C ATOM 778 OD1 ASN A 59 -2.926 11.727 3.471 1.00 0.00 O ATOM 779 ND2 ASN A 59 -0.848 12.455 3.943 1.00 0.00 N ATOM 0 H ASN A 59 -3.993 14.547 2.357 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.645 13.093 4.804 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.240 14.738 3.904 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.374 14.022 5.498 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.407 11.603 3.596 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.274 13.209 4.319 1.00 0.00 H new ATOM 786 N ALA A 60 -4.656 15.140 6.439 1.00 0.00 N ATOM 787 CA ALA A 60 -5.063 16.252 7.281 1.00 0.00 C ATOM 788 C ALA A 60 -6.368 16.842 6.743 1.00 0.00 C ATOM 789 O ALA A 60 -7.453 16.450 7.169 1.00 0.00 O ATOM 790 CB ALA A 60 -3.936 17.286 7.341 1.00 0.00 C ATOM 0 H ALA A 60 -4.373 14.302 6.947 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.250 15.914 8.300 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.241 18.120 7.973 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.040 16.824 7.757 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.723 17.651 6.336 1.00 0.00 H new TER 796 ALA A 60