USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=15 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= 0.00412 USER MOD Set 1.2: A 23 THR OG1 : rot -168:sc= 0.00412 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot -117:sc= 0.894 USER MOD Single : A 7 THR OG1 : rot 65:sc= -0.125 USER MOD Single : A 8 SER OG : rot -23:sc= 0.548 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.242 K(o=-0.24,f=-2.8!) USER MOD Single : A 17 SER OG : rot -90:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 133:sc= -0.113! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -2.82 K(o=-2.8,f=-7.7!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -105:sc= -7.77! USER MOD Single : A 38 GLN : amide:sc= -3.09! C(o=-3.1!,f=-4.2!) USER MOD Single : A 41 SER OG : rot 26:sc= 0.00626 USER MOD Single : A 45 SER OG : rot 180:sc= -1.72! USER MOD Single : A 46 GLN : amide:sc= -1.7 X(o=-1.7,f=-1.5) USER MOD Single : A 47 SER OG : rot 180:sc= -0.329 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 X(o=0,f=0.004) USER MOD Single : A 59 ASN : amide:sc= -0.0372 K(o=-0.037,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 9.709 -5.491 -6.461 1.00 0.00 N ATOM 2 CA ASP A 1 8.549 -6.351 -6.625 1.00 0.00 C ATOM 3 C ASP A 1 7.662 -6.245 -5.384 1.00 0.00 C ATOM 4 O ASP A 1 8.125 -6.460 -4.265 1.00 0.00 O ATOM 5 CB ASP A 1 8.967 -7.814 -6.785 1.00 0.00 C ATOM 6 CG ASP A 1 8.247 -8.574 -7.900 1.00 0.00 C ATOM 7 OD1 ASP A 1 8.292 -8.078 -9.046 1.00 0.00 O ATOM 8 OD2 ASP A 1 7.667 -9.635 -7.581 1.00 0.00 O ATOM 0 H1 ASP A 1 10.315 -5.561 -7.304 1.00 0.00 H new ATOM 0 H2 ASP A 1 9.397 -4.506 -6.339 1.00 0.00 H new ATOM 0 H3 ASP A 1 10.247 -5.790 -5.622 1.00 0.00 H new ATOM 0 HA ASP A 1 8.014 -6.029 -7.518 1.00 0.00 H new ATOM 0 HB2 ASP A 1 10.040 -7.851 -6.975 1.00 0.00 H new ATOM 0 HB3 ASP A 1 8.792 -8.331 -5.842 1.00 0.00 H new ATOM 13 N ILE A 2 6.401 -5.915 -5.623 1.00 0.00 N ATOM 14 CA ILE A 2 5.444 -5.778 -4.538 1.00 0.00 C ATOM 15 C ILE A 2 4.495 -6.977 -4.547 1.00 0.00 C ATOM 16 O ILE A 2 4.077 -7.451 -3.492 1.00 0.00 O ATOM 17 CB ILE A 2 4.730 -4.427 -4.620 1.00 0.00 C ATOM 18 CG1 ILE A 2 3.402 -4.554 -5.370 1.00 0.00 C ATOM 19 CG2 ILE A 2 5.639 -3.364 -5.240 1.00 0.00 C ATOM 20 CD1 ILE A 2 2.682 -3.206 -5.441 1.00 0.00 C ATOM 0 H ILE A 2 6.020 -5.738 -6.552 1.00 0.00 H new ATOM 0 HA ILE A 2 5.956 -5.783 -3.576 1.00 0.00 H new ATOM 0 HB ILE A 2 4.498 -4.101 -3.606 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.584 -4.927 -6.378 1.00 0.00 H new ATOM 0 HG13 ILE A 2 2.766 -5.284 -4.870 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.108 -2.413 -5.287 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.534 -3.250 -4.629 1.00 0.00 H new ATOM 0 HG23 ILE A 2 5.923 -3.671 -6.247 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.741 -3.324 -5.979 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.480 -2.848 -4.432 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.311 -2.485 -5.963 1.00 0.00 H new ATOM 32 N GLU A 3 4.181 -7.434 -5.751 1.00 0.00 N ATOM 33 CA GLU A 3 3.289 -8.569 -5.911 1.00 0.00 C ATOM 34 C GLU A 3 3.799 -9.765 -5.104 1.00 0.00 C ATOM 35 O GLU A 3 3.010 -10.577 -4.624 1.00 0.00 O ATOM 36 CB GLU A 3 3.126 -8.934 -7.388 1.00 0.00 C ATOM 37 CG GLU A 3 4.479 -9.257 -8.026 1.00 0.00 C ATOM 38 CD GLU A 3 5.062 -8.027 -8.726 1.00 0.00 C ATOM 39 OE1 GLU A 3 5.345 -7.046 -8.006 1.00 0.00 O ATOM 40 OE2 GLU A 3 5.210 -8.097 -9.965 1.00 0.00 O ATOM 0 H GLU A 3 4.529 -7.038 -6.624 1.00 0.00 H new ATOM 0 HA GLU A 3 2.307 -8.290 -5.528 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.461 -9.792 -7.483 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.657 -8.107 -7.921 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.172 -9.607 -7.261 1.00 0.00 H new ATOM 0 HG3 GLU A 3 4.362 -10.068 -8.745 1.00 0.00 H new ATOM 47 N ASP A 4 5.117 -9.834 -4.979 1.00 0.00 N ATOM 48 CA ASP A 4 5.742 -10.916 -4.238 1.00 0.00 C ATOM 49 C ASP A 4 5.542 -10.685 -2.739 1.00 0.00 C ATOM 50 O ASP A 4 5.769 -11.585 -1.933 1.00 0.00 O ATOM 51 CB ASP A 4 7.246 -10.973 -4.511 1.00 0.00 C ATOM 52 CG ASP A 4 7.737 -12.267 -5.162 1.00 0.00 C ATOM 53 OD1 ASP A 4 6.864 -13.065 -5.568 1.00 0.00 O ATOM 54 OD2 ASP A 4 8.974 -12.430 -5.240 1.00 0.00 O ATOM 0 H ASP A 4 5.768 -9.158 -5.378 1.00 0.00 H new ATOM 0 HA ASP A 4 5.282 -11.852 -4.555 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.515 -10.136 -5.155 1.00 0.00 H new ATOM 0 HB3 ASP A 4 7.776 -10.834 -3.569 1.00 0.00 H new ATOM 59 N PHE A 5 5.117 -9.473 -2.411 1.00 0.00 N ATOM 60 CA PHE A 5 4.884 -9.112 -1.023 1.00 0.00 C ATOM 61 C PHE A 5 3.425 -8.709 -0.800 1.00 0.00 C ATOM 62 O PHE A 5 3.094 -8.101 0.217 1.00 0.00 O ATOM 63 CB PHE A 5 5.785 -7.915 -0.715 1.00 0.00 C ATOM 64 CG PHE A 5 7.205 -8.297 -0.294 1.00 0.00 C ATOM 65 CD1 PHE A 5 8.161 -8.507 -1.239 1.00 0.00 C ATOM 66 CD2 PHE A 5 7.512 -8.427 1.024 1.00 0.00 C ATOM 67 CE1 PHE A 5 9.480 -8.861 -0.848 1.00 0.00 C ATOM 68 CE2 PHE A 5 8.831 -8.782 1.415 1.00 0.00 C ATOM 69 CZ PHE A 5 9.786 -8.992 0.470 1.00 0.00 C ATOM 0 H PHE A 5 4.928 -8.729 -3.083 1.00 0.00 H new ATOM 0 HA PHE A 5 5.101 -9.961 -0.375 1.00 0.00 H new ATOM 0 HB2 PHE A 5 5.838 -7.277 -1.597 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.328 -7.324 0.079 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.917 -8.405 -2.286 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.753 -8.260 1.774 1.00 0.00 H new ATOM 0 HE1 PHE A 5 10.240 -9.026 -1.598 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.075 -8.885 2.462 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.788 -9.263 0.767 1.00 0.00 H new ATOM 79 N TYR A 6 2.592 -9.064 -1.767 1.00 0.00 N ATOM 80 CA TYR A 6 1.176 -8.746 -1.688 1.00 0.00 C ATOM 81 C TYR A 6 0.451 -9.704 -0.741 1.00 0.00 C ATOM 82 O TYR A 6 0.628 -10.918 -0.824 1.00 0.00 O ATOM 83 CB TYR A 6 0.623 -8.931 -3.103 1.00 0.00 C ATOM 84 CG TYR A 6 -0.821 -8.457 -3.274 1.00 0.00 C ATOM 85 CD1 TYR A 6 -1.295 -7.402 -2.520 1.00 0.00 C ATOM 86 CD2 TYR A 6 -1.651 -9.084 -4.181 1.00 0.00 C ATOM 87 CE1 TYR A 6 -2.654 -6.956 -2.681 1.00 0.00 C ATOM 88 CE2 TYR A 6 -3.010 -8.637 -4.342 1.00 0.00 C ATOM 89 CZ TYR A 6 -3.445 -7.595 -3.584 1.00 0.00 C ATOM 90 OH TYR A 6 -4.729 -7.173 -3.736 1.00 0.00 O ATOM 0 H TYR A 6 2.870 -9.568 -2.609 1.00 0.00 H new ATOM 0 HA TYR A 6 1.030 -7.734 -1.311 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.258 -8.389 -3.804 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.682 -9.986 -3.370 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -0.646 -6.911 -1.810 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.281 -9.910 -4.770 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.037 -6.132 -2.097 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.669 -9.118 -5.049 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.342 -7.890 -3.472 1.00 0.00 H new ATOM 100 N THR A 7 -0.351 -9.122 0.138 1.00 0.00 N ATOM 101 CA THR A 7 -1.104 -9.908 1.101 1.00 0.00 C ATOM 102 C THR A 7 -2.605 -9.786 0.832 1.00 0.00 C ATOM 103 O THR A 7 -3.278 -8.940 1.419 1.00 0.00 O ATOM 104 CB THR A 7 -0.699 -9.453 2.504 1.00 0.00 C ATOM 105 OG1 THR A 7 -1.205 -8.123 2.597 1.00 0.00 O ATOM 106 CG2 THR A 7 0.815 -9.286 2.652 1.00 0.00 C ATOM 0 H THR A 7 -0.496 -8.115 0.204 1.00 0.00 H new ATOM 0 HA THR A 7 -0.875 -10.970 1.010 1.00 0.00 H new ATOM 0 HB THR A 7 -1.058 -10.175 3.237 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.184 -8.142 2.556 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.048 -8.962 3.666 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.307 -10.238 2.453 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.170 -8.539 1.942 1.00 0.00 H new ATOM 114 N SER A 8 -3.086 -10.644 -0.057 1.00 0.00 N ATOM 115 CA SER A 8 -4.495 -10.642 -0.411 1.00 0.00 C ATOM 116 C SER A 8 -5.327 -11.192 0.750 1.00 0.00 C ATOM 117 O SER A 8 -6.555 -11.214 0.682 1.00 0.00 O ATOM 118 CB SER A 8 -4.746 -11.462 -1.678 1.00 0.00 C ATOM 119 OG SER A 8 -6.136 -11.621 -1.946 1.00 0.00 O ATOM 0 H SER A 8 -2.525 -11.344 -0.542 1.00 0.00 H new ATOM 0 HA SER A 8 -4.796 -9.614 -0.611 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.267 -10.973 -2.527 1.00 0.00 H new ATOM 0 HB3 SER A 8 -4.283 -12.443 -1.572 1.00 0.00 H new ATOM 0 HG SER A 8 -6.644 -11.508 -1.116 1.00 0.00 H new ATOM 125 N GLU A 9 -4.625 -11.622 1.788 1.00 0.00 N ATOM 126 CA GLU A 9 -5.283 -12.169 2.962 1.00 0.00 C ATOM 127 C GLU A 9 -5.910 -11.047 3.791 1.00 0.00 C ATOM 128 O GLU A 9 -7.104 -11.081 4.086 1.00 0.00 O ATOM 129 CB GLU A 9 -4.306 -12.993 3.803 1.00 0.00 C ATOM 130 CG GLU A 9 -4.889 -14.370 4.129 1.00 0.00 C ATOM 131 CD GLU A 9 -5.730 -14.321 5.407 1.00 0.00 C ATOM 132 OE1 GLU A 9 -6.693 -13.525 5.422 1.00 0.00 O ATOM 133 OE2 GLU A 9 -5.390 -15.081 6.339 1.00 0.00 O ATOM 0 H GLU A 9 -3.607 -11.603 1.840 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.079 -12.836 2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.366 -13.111 3.264 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.079 -12.462 4.728 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.504 -14.715 3.298 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.081 -15.092 4.248 1.00 0.00 H new ATOM 140 N THR A 10 -5.077 -10.079 4.143 1.00 0.00 N ATOM 141 CA THR A 10 -5.535 -8.948 4.933 1.00 0.00 C ATOM 142 C THR A 10 -5.966 -7.799 4.019 1.00 0.00 C ATOM 143 O THR A 10 -6.798 -6.977 4.400 1.00 0.00 O ATOM 144 CB THR A 10 -4.417 -8.566 5.904 1.00 0.00 C ATOM 145 OG1 THR A 10 -4.774 -7.259 6.347 1.00 0.00 O ATOM 146 CG2 THR A 10 -3.073 -8.366 5.200 1.00 0.00 C ATOM 0 H THR A 10 -4.088 -10.054 3.896 1.00 0.00 H new ATOM 0 HA THR A 10 -6.418 -9.205 5.518 1.00 0.00 H new ATOM 0 HB THR A 10 -4.317 -9.340 6.665 1.00 0.00 H new ATOM 0 HG1 THR A 10 -4.102 -6.934 6.982 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.314 -8.096 5.934 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.783 -9.290 4.701 1.00 0.00 H new ATOM 0 HG23 THR A 10 -3.164 -7.569 4.462 1.00 0.00 H new ATOM 154 N CYS A 11 -5.381 -7.780 2.831 1.00 0.00 N ATOM 155 CA CYS A 11 -5.693 -6.745 1.860 1.00 0.00 C ATOM 156 C CYS A 11 -7.164 -6.887 1.463 1.00 0.00 C ATOM 157 O CYS A 11 -7.645 -7.996 1.234 1.00 0.00 O ATOM 158 CB CYS A 11 -4.766 -6.811 0.644 1.00 0.00 C ATOM 159 SG CYS A 11 -4.914 -5.400 -0.512 1.00 0.00 S ATOM 0 H CYS A 11 -4.693 -8.465 2.518 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.530 -5.764 2.306 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.735 -6.870 0.993 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.970 -7.732 0.099 1.00 0.00 H new ATOM 164 N PRO A 12 -7.856 -5.718 1.392 1.00 0.00 N ATOM 165 CA PRO A 12 -9.262 -5.702 1.027 1.00 0.00 C ATOM 166 C PRO A 12 -9.442 -5.940 -0.473 1.00 0.00 C ATOM 167 O PRO A 12 -10.568 -5.997 -0.966 1.00 0.00 O ATOM 168 CB PRO A 12 -9.770 -4.342 1.478 1.00 0.00 C ATOM 169 CG PRO A 12 -8.534 -3.473 1.654 1.00 0.00 C ATOM 170 CD PRO A 12 -7.319 -4.386 1.656 1.00 0.00 C ATOM 0 HA PRO A 12 -9.829 -6.502 1.503 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.447 -3.913 0.739 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.327 -4.423 2.412 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.462 -2.744 0.847 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.591 -2.912 2.587 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.600 -4.090 0.892 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.799 -4.351 2.613 1.00 0.00 H new ATOM 178 N TYR A 13 -8.316 -6.072 -1.158 1.00 0.00 N ATOM 179 CA TYR A 13 -8.335 -6.302 -2.593 1.00 0.00 C ATOM 180 C TYR A 13 -7.693 -7.646 -2.941 1.00 0.00 C ATOM 181 O TYR A 13 -6.602 -7.959 -2.466 1.00 0.00 O ATOM 182 CB TYR A 13 -7.503 -5.177 -3.212 1.00 0.00 C ATOM 183 CG TYR A 13 -8.089 -3.780 -3.000 1.00 0.00 C ATOM 184 CD1 TYR A 13 -9.155 -3.356 -3.768 1.00 0.00 C ATOM 185 CD2 TYR A 13 -7.553 -2.944 -2.042 1.00 0.00 C ATOM 186 CE1 TYR A 13 -9.707 -2.041 -3.569 1.00 0.00 C ATOM 187 CE2 TYR A 13 -8.105 -1.629 -1.843 1.00 0.00 C ATOM 188 CZ TYR A 13 -9.155 -1.242 -2.616 1.00 0.00 C ATOM 189 OH TYR A 13 -9.677 -0.001 -2.428 1.00 0.00 O ATOM 0 H TYR A 13 -7.384 -6.024 -0.746 1.00 0.00 H new ATOM 0 HA TYR A 13 -9.359 -6.318 -2.966 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.499 -5.207 -2.789 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.403 -5.359 -4.282 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -9.575 -4.010 -4.518 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.719 -3.276 -1.441 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -10.541 -1.697 -4.163 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -7.694 -0.965 -1.097 1.00 0.00 H new ATOM 0 HH TYR A 13 -9.184 0.457 -1.715 1.00 0.00 H new ATOM 199 N LYS A 14 -8.397 -8.406 -3.768 1.00 0.00 N ATOM 200 CA LYS A 14 -7.909 -9.709 -4.185 1.00 0.00 C ATOM 201 C LYS A 14 -7.860 -9.765 -5.713 1.00 0.00 C ATOM 202 O LYS A 14 -8.100 -10.815 -6.307 1.00 0.00 O ATOM 203 CB LYS A 14 -8.749 -10.822 -3.555 1.00 0.00 C ATOM 204 CG LYS A 14 -10.231 -10.441 -3.526 1.00 0.00 C ATOM 205 CD LYS A 14 -10.828 -10.453 -4.935 1.00 0.00 C ATOM 206 CE LYS A 14 -11.016 -9.029 -5.463 1.00 0.00 C ATOM 207 NZ LYS A 14 -12.113 -8.985 -6.455 1.00 0.00 N ATOM 0 H LYS A 14 -9.301 -8.144 -4.160 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.892 -9.868 -3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.618 -11.745 -4.120 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.400 -11.016 -2.541 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -10.777 -11.138 -2.890 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.347 -9.450 -3.086 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.174 -11.010 -5.606 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.788 -10.970 -4.923 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.238 -8.355 -4.636 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.090 -8.679 -5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.227 -8.012 -6.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.886 -9.613 -7.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.998 -9.299 -6.008 1.00 0.00 H new ATOM 221 N ASN A 15 -7.547 -8.622 -6.306 1.00 0.00 N ATOM 222 CA ASN A 15 -7.463 -8.528 -7.753 1.00 0.00 C ATOM 223 C ASN A 15 -5.993 -8.462 -8.171 1.00 0.00 C ATOM 224 O ASN A 15 -5.541 -9.259 -8.992 1.00 0.00 O ATOM 225 CB ASN A 15 -8.157 -7.264 -8.264 1.00 0.00 C ATOM 226 CG ASN A 15 -8.964 -7.556 -9.531 1.00 0.00 C ATOM 227 OD1 ASN A 15 -9.225 -8.694 -9.884 1.00 0.00 O ATOM 228 ND2 ASN A 15 -9.342 -6.466 -10.194 1.00 0.00 N ATOM 0 H ASN A 15 -7.349 -7.753 -5.810 1.00 0.00 H new ATOM 0 HA ASN A 15 -7.953 -9.405 -8.177 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -8.817 -6.869 -7.491 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -7.413 -6.495 -8.471 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -9.884 -6.554 -11.053 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -9.090 -5.542 -9.843 1.00 0.00 H new ATOM 235 N ASP A 16 -5.287 -7.504 -7.588 1.00 0.00 N ATOM 236 CA ASP A 16 -3.878 -7.324 -7.890 1.00 0.00 C ATOM 237 C ASP A 16 -3.245 -6.419 -6.830 1.00 0.00 C ATOM 238 O ASP A 16 -3.940 -5.641 -6.179 1.00 0.00 O ATOM 239 CB ASP A 16 -3.687 -6.658 -9.254 1.00 0.00 C ATOM 240 CG ASP A 16 -2.893 -7.480 -10.270 1.00 0.00 C ATOM 241 OD1 ASP A 16 -2.350 -8.527 -9.853 1.00 0.00 O ATOM 242 OD2 ASP A 16 -2.845 -7.045 -11.441 1.00 0.00 O ATOM 0 H ASP A 16 -5.665 -6.844 -6.908 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.408 -8.307 -7.900 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.668 -6.438 -9.675 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.182 -5.703 -9.108 1.00 0.00 H new ATOM 247 N SER A 17 -1.934 -6.552 -6.690 1.00 0.00 N ATOM 248 CA SER A 17 -1.201 -5.757 -5.721 1.00 0.00 C ATOM 249 C SER A 17 -1.160 -4.294 -6.167 1.00 0.00 C ATOM 250 O SER A 17 -1.153 -3.387 -5.336 1.00 0.00 O ATOM 251 CB SER A 17 0.219 -6.293 -5.530 1.00 0.00 C ATOM 252 OG SER A 17 0.942 -6.337 -6.757 1.00 0.00 O ATOM 0 H SER A 17 -1.361 -7.199 -7.232 1.00 0.00 H new ATOM 0 HA SER A 17 -1.718 -5.824 -4.764 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.752 -5.663 -4.818 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.174 -7.293 -5.099 1.00 0.00 H new ATOM 0 HG SER A 17 0.805 -7.207 -7.186 1.00 0.00 H new ATOM 258 N GLN A 18 -1.135 -4.109 -7.479 1.00 0.00 N ATOM 259 CA GLN A 18 -1.095 -2.772 -8.046 1.00 0.00 C ATOM 260 C GLN A 18 -2.391 -2.022 -7.729 1.00 0.00 C ATOM 261 O GLN A 18 -2.412 -0.793 -7.709 1.00 0.00 O ATOM 262 CB GLN A 18 -0.847 -2.823 -9.555 1.00 0.00 C ATOM 263 CG GLN A 18 0.543 -3.383 -9.863 1.00 0.00 C ATOM 264 CD GLN A 18 0.641 -3.835 -11.321 1.00 0.00 C ATOM 265 OE1 GLN A 18 0.196 -4.907 -11.697 1.00 0.00 O ATOM 266 NE2 GLN A 18 1.248 -2.961 -12.119 1.00 0.00 N ATOM 0 H GLN A 18 -1.142 -4.863 -8.166 1.00 0.00 H new ATOM 0 HA GLN A 18 -0.264 -2.231 -7.592 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -1.607 -3.443 -10.031 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -0.942 -1.822 -9.977 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.298 -2.623 -9.663 1.00 0.00 H new ATOM 0 HG3 GLN A 18 0.755 -4.224 -9.203 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.598 -2.081 -11.739 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.364 -3.171 -13.110 1.00 0.00 H new ATOM 275 N LEU A 19 -3.440 -2.795 -7.488 1.00 0.00 N ATOM 276 CA LEU A 19 -4.737 -2.219 -7.173 1.00 0.00 C ATOM 277 C LEU A 19 -4.686 -1.592 -5.778 1.00 0.00 C ATOM 278 O LEU A 19 -4.799 -0.376 -5.636 1.00 0.00 O ATOM 279 CB LEU A 19 -5.841 -3.265 -7.337 1.00 0.00 C ATOM 280 CG LEU A 19 -7.273 -2.767 -7.128 1.00 0.00 C ATOM 281 CD1 LEU A 19 -7.680 -1.791 -8.234 1.00 0.00 C ATOM 282 CD2 LEU A 19 -8.249 -3.939 -7.009 1.00 0.00 C ATOM 0 H LEU A 19 -3.418 -3.815 -7.504 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.980 -1.420 -7.874 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.767 -3.688 -8.339 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.653 -4.076 -6.634 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.311 -2.220 -6.186 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.702 -1.452 -8.062 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.007 -0.933 -8.228 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.621 -2.291 -9.201 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.259 -3.558 -6.861 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.216 -4.534 -7.922 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.968 -4.561 -6.159 1.00 0.00 H new ATOM 294 N ALA A 20 -4.515 -2.451 -4.784 1.00 0.00 N ATOM 295 CA ALA A 20 -4.448 -1.997 -3.405 1.00 0.00 C ATOM 296 C ALA A 20 -3.348 -0.942 -3.274 1.00 0.00 C ATOM 297 O ALA A 20 -3.469 -0.009 -2.481 1.00 0.00 O ATOM 298 CB ALA A 20 -4.220 -3.195 -2.483 1.00 0.00 C ATOM 0 H ALA A 20 -4.421 -3.459 -4.906 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.388 -1.532 -3.108 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.170 -2.854 -1.449 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.044 -3.901 -2.593 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.284 -3.686 -2.749 1.00 0.00 H new ATOM 304 N TRP A 21 -2.299 -1.125 -4.063 1.00 0.00 N ATOM 305 CA TRP A 21 -1.179 -0.200 -4.045 1.00 0.00 C ATOM 306 C TRP A 21 -1.609 1.079 -4.764 1.00 0.00 C ATOM 307 O TRP A 21 -1.294 2.182 -4.320 1.00 0.00 O ATOM 308 CB TRP A 21 0.069 -0.839 -4.657 1.00 0.00 C ATOM 309 CG TRP A 21 1.155 0.165 -5.049 1.00 0.00 C ATOM 310 CD1 TRP A 21 1.191 0.963 -6.126 1.00 0.00 C ATOM 311 CD2 TRP A 21 2.367 0.450 -4.319 1.00 0.00 C ATOM 312 NE1 TRP A 21 2.334 1.737 -6.143 1.00 0.00 N ATOM 313 CE2 TRP A 21 3.071 1.415 -5.010 1.00 0.00 C ATOM 314 CE3 TRP A 21 2.852 -0.091 -3.116 1.00 0.00 C ATOM 315 CZ2 TRP A 21 4.301 1.924 -4.576 1.00 0.00 C ATOM 316 CZ3 TRP A 21 4.083 0.428 -2.695 1.00 0.00 C ATOM 317 CH2 TRP A 21 4.804 1.400 -3.379 1.00 0.00 C ATOM 0 H TRP A 21 -2.201 -1.900 -4.719 1.00 0.00 H new ATOM 0 HA TRP A 21 -0.905 0.053 -3.021 1.00 0.00 H new ATOM 0 HB2 TRP A 21 0.487 -1.550 -3.945 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -0.222 -1.407 -5.541 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.423 0.996 -6.884 1.00 0.00 H new ATOM 0 HE1 TRP A 21 2.590 2.420 -6.856 1.00 0.00 H new ATOM 0 HE3 TRP A 21 2.318 -0.847 -2.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 4.833 2.680 -5.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.501 0.047 -1.775 1.00 0.00 H new ATOM 0 HH2 TRP A 21 5.748 1.750 -2.989 1.00 0.00 H new ATOM 328 N ASP A 22 -2.324 0.890 -5.864 1.00 0.00 N ATOM 329 CA ASP A 22 -2.801 2.016 -6.649 1.00 0.00 C ATOM 330 C ASP A 22 -3.809 2.818 -5.823 1.00 0.00 C ATOM 331 O ASP A 22 -4.181 3.928 -6.199 1.00 0.00 O ATOM 332 CB ASP A 22 -3.505 1.541 -7.922 1.00 0.00 C ATOM 333 CG ASP A 22 -4.400 2.584 -8.594 1.00 0.00 C ATOM 334 OD1 ASP A 22 -3.829 3.525 -9.185 1.00 0.00 O ATOM 335 OD2 ASP A 22 -5.635 2.416 -8.500 1.00 0.00 O ATOM 0 H ASP A 22 -2.584 -0.026 -6.230 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.940 2.627 -6.919 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.749 1.217 -8.638 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.110 0.667 -7.680 1.00 0.00 H new ATOM 340 N THR A 23 -4.221 2.224 -4.712 1.00 0.00 N ATOM 341 CA THR A 23 -5.178 2.869 -3.830 1.00 0.00 C ATOM 342 C THR A 23 -4.458 3.798 -2.850 1.00 0.00 C ATOM 343 O THR A 23 -4.698 5.005 -2.843 1.00 0.00 O ATOM 344 CB THR A 23 -5.997 1.776 -3.140 1.00 0.00 C ATOM 345 OG1 THR A 23 -7.228 1.760 -3.858 1.00 0.00 O ATOM 346 CG2 THR A 23 -6.401 2.159 -1.715 1.00 0.00 C ATOM 0 H THR A 23 -3.909 1.303 -4.403 1.00 0.00 H new ATOM 0 HA THR A 23 -5.864 3.506 -4.389 1.00 0.00 H new ATOM 0 HB THR A 23 -5.422 0.850 -3.117 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.885 1.222 -3.369 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.980 1.349 -1.271 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.506 2.335 -1.118 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.005 3.066 -1.739 1.00 0.00 H new ATOM 354 N CYS A 24 -3.590 3.201 -2.047 1.00 0.00 N ATOM 355 CA CYS A 24 -2.833 3.960 -1.066 1.00 0.00 C ATOM 356 C CYS A 24 -1.663 4.638 -1.781 1.00 0.00 C ATOM 357 O CYS A 24 -1.625 5.862 -1.894 1.00 0.00 O ATOM 358 CB CYS A 24 -2.361 3.076 0.090 1.00 0.00 C ATOM 359 SG CYS A 24 -0.635 3.370 0.625 1.00 0.00 S ATOM 0 H CYS A 24 -3.394 2.200 -2.056 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.473 4.721 -0.618 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.022 3.232 0.942 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.462 2.032 -0.205 1.00 0.00 H new ATOM 364 N SER A 25 -0.737 3.813 -2.246 1.00 0.00 N ATOM 365 CA SER A 25 0.431 4.318 -2.948 1.00 0.00 C ATOM 366 C SER A 25 0.058 4.694 -4.383 1.00 0.00 C ATOM 367 O SER A 25 0.693 4.238 -5.333 1.00 0.00 O ATOM 368 CB SER A 25 1.563 3.287 -2.946 1.00 0.00 C ATOM 369 OG SER A 25 1.089 1.975 -2.658 1.00 0.00 O ATOM 0 H SER A 25 -0.772 2.798 -2.151 1.00 0.00 H new ATOM 0 HA SER A 25 0.785 5.208 -2.427 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.057 3.289 -3.918 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.312 3.572 -2.207 1.00 0.00 H new ATOM 0 HG SER A 25 1.467 1.342 -3.303 1.00 0.00 H new ATOM 375 N GLY A 26 -0.970 5.522 -4.495 1.00 0.00 N ATOM 376 CA GLY A 26 -1.435 5.964 -5.799 1.00 0.00 C ATOM 377 C GLY A 26 -1.611 7.484 -5.831 1.00 0.00 C ATOM 378 O GLY A 26 -2.150 8.030 -6.793 1.00 0.00 O ATOM 0 H GLY A 26 -1.494 5.898 -3.705 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.722 5.660 -6.566 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.382 5.479 -6.035 1.00 0.00 H new ATOM 382 N GLY A 27 -1.145 8.124 -4.769 1.00 0.00 N ATOM 383 CA GLY A 27 -1.244 9.570 -4.664 1.00 0.00 C ATOM 384 C GLY A 27 -2.493 9.979 -3.881 1.00 0.00 C ATOM 385 O GLY A 27 -2.487 10.989 -3.179 1.00 0.00 O ATOM 0 H GLY A 27 -0.698 7.668 -3.974 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.356 9.964 -4.170 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.276 10.009 -5.661 1.00 0.00 H new ATOM 389 N THR A 28 -3.535 9.174 -4.028 1.00 0.00 N ATOM 390 CA THR A 28 -4.789 9.439 -3.344 1.00 0.00 C ATOM 391 C THR A 28 -5.297 8.173 -2.652 1.00 0.00 C ATOM 392 O THR A 28 -4.507 7.312 -2.267 1.00 0.00 O ATOM 393 CB THR A 28 -5.774 10.010 -4.366 1.00 0.00 C ATOM 394 OG1 THR A 28 -5.968 8.945 -5.293 1.00 0.00 O ATOM 395 CG2 THR A 28 -5.160 11.130 -5.209 1.00 0.00 C ATOM 0 H THR A 28 -3.536 8.337 -4.611 1.00 0.00 H new ATOM 0 HA THR A 28 -4.659 10.175 -2.551 1.00 0.00 H new ATOM 0 HB THR A 28 -6.656 10.387 -3.848 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.595 9.229 -5.990 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.901 11.500 -5.918 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.843 11.944 -4.557 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.298 10.745 -5.753 1.00 0.00 H new ATOM 403 N GLY A 29 -6.613 8.099 -2.515 1.00 0.00 N ATOM 404 CA GLY A 29 -7.236 6.952 -1.876 1.00 0.00 C ATOM 405 C GLY A 29 -7.009 6.977 -0.364 1.00 0.00 C ATOM 406 O GLY A 29 -7.164 8.018 0.274 1.00 0.00 O ATOM 0 H GLY A 29 -7.265 8.815 -2.836 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.305 6.950 -2.087 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.827 6.032 -2.294 1.00 0.00 H new ATOM 410 N ASN A 30 -6.646 5.819 0.167 1.00 0.00 N ATOM 411 CA ASN A 30 -6.396 5.695 1.593 1.00 0.00 C ATOM 412 C ASN A 30 -4.891 5.568 1.834 1.00 0.00 C ATOM 413 O ASN A 30 -4.454 4.742 2.635 1.00 0.00 O ATOM 414 CB ASN A 30 -7.073 4.447 2.164 1.00 0.00 C ATOM 415 CG ASN A 30 -6.663 3.196 1.385 1.00 0.00 C ATOM 416 OD1 ASN A 30 -5.516 3.014 1.011 1.00 0.00 O ATOM 417 ND2 ASN A 30 -7.661 2.346 1.163 1.00 0.00 N ATOM 0 H ASN A 30 -6.519 4.958 -0.365 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.799 6.581 2.084 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.803 4.331 3.214 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.156 4.566 2.124 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -7.489 1.480 0.652 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -8.598 2.560 1.504 1.00 0.00 H new ATOM 424 N CYS A 31 -4.139 6.398 1.127 1.00 0.00 N ATOM 425 CA CYS A 31 -2.691 6.389 1.253 1.00 0.00 C ATOM 426 C CYS A 31 -2.334 6.726 2.702 1.00 0.00 C ATOM 427 O CYS A 31 -2.926 7.624 3.299 1.00 0.00 O ATOM 428 CB CYS A 31 -2.031 7.351 0.264 1.00 0.00 C ATOM 429 SG CYS A 31 -1.743 9.039 0.910 1.00 0.00 S ATOM 0 H CYS A 31 -4.505 7.082 0.464 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.308 5.399 1.006 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.076 6.929 -0.049 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.656 7.420 -0.626 1.00 0.00 H new ATOM 434 N GLY A 32 -1.367 5.988 3.227 1.00 0.00 N ATOM 435 CA GLY A 32 -0.923 6.198 4.594 1.00 0.00 C ATOM 436 C GLY A 32 0.132 5.164 4.993 1.00 0.00 C ATOM 437 O GLY A 32 0.581 4.377 4.161 1.00 0.00 O ATOM 0 H GLY A 32 -0.878 5.243 2.730 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.510 7.202 4.696 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.775 6.133 5.271 1.00 0.00 H new ATOM 441 N THR A 33 0.497 5.199 6.266 1.00 0.00 N ATOM 442 CA THR A 33 1.491 4.275 6.786 1.00 0.00 C ATOM 443 C THR A 33 0.832 2.956 7.192 1.00 0.00 C ATOM 444 O THR A 33 1.518 1.999 7.548 1.00 0.00 O ATOM 445 CB THR A 33 2.225 4.967 7.936 1.00 0.00 C ATOM 446 OG1 THR A 33 2.767 6.145 7.344 1.00 0.00 O ATOM 447 CG2 THR A 33 3.454 4.184 8.402 1.00 0.00 C ATOM 0 H THR A 33 0.122 5.853 6.953 1.00 0.00 H new ATOM 0 HA THR A 33 2.225 4.014 6.024 1.00 0.00 H new ATOM 0 HB THR A 33 1.541 5.101 8.774 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.259 6.655 8.021 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.938 4.719 9.219 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.147 3.196 8.746 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.154 4.078 7.573 1.00 0.00 H new ATOM 455 N VAL A 34 -0.491 2.947 7.125 1.00 0.00 N ATOM 456 CA VAL A 34 -1.251 1.761 7.481 1.00 0.00 C ATOM 457 C VAL A 34 -1.289 0.807 6.286 1.00 0.00 C ATOM 458 O VAL A 34 -1.274 -0.411 6.459 1.00 0.00 O ATOM 459 CB VAL A 34 -2.645 2.160 7.972 1.00 0.00 C ATOM 460 CG1 VAL A 34 -3.518 0.925 8.204 1.00 0.00 C ATOM 461 CG2 VAL A 34 -2.556 3.014 9.237 1.00 0.00 C ATOM 0 H VAL A 34 -1.056 3.743 6.829 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.770 1.232 8.304 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.116 2.762 7.194 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.503 1.236 8.552 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.621 0.372 7.270 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.053 0.286 8.955 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.560 3.284 9.565 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.057 2.448 10.024 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.988 3.920 9.025 1.00 0.00 H new ATOM 471 N CYS A 35 -1.336 1.396 5.100 1.00 0.00 N ATOM 472 CA CYS A 35 -1.375 0.613 3.877 1.00 0.00 C ATOM 473 C CYS A 35 -0.074 -0.186 3.775 1.00 0.00 C ATOM 474 O CYS A 35 -0.002 -1.170 3.040 1.00 0.00 O ATOM 475 CB CYS A 35 -1.600 1.496 2.647 1.00 0.00 C ATOM 476 SG CYS A 35 -0.276 1.408 1.387 1.00 0.00 S ATOM 0 H CYS A 35 -1.348 2.406 4.960 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.220 -0.074 3.910 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.544 1.213 2.182 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.703 2.531 2.974 1.00 0.00 H new ATOM 481 N CYS A 36 0.920 0.266 4.524 1.00 0.00 N ATOM 482 CA CYS A 36 2.215 -0.395 4.528 1.00 0.00 C ATOM 483 C CYS A 36 2.002 -1.865 4.892 1.00 0.00 C ATOM 484 O CYS A 36 2.000 -2.731 4.018 1.00 0.00 O ATOM 485 CB CYS A 36 3.198 0.292 5.478 1.00 0.00 C ATOM 486 SG CYS A 36 3.518 2.056 5.108 1.00 0.00 S ATOM 0 H CYS A 36 0.856 1.082 5.133 1.00 0.00 H new ATOM 0 HA CYS A 36 2.664 -0.328 3.537 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.814 0.213 6.495 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.145 -0.248 5.451 1.00 0.00 H new ATOM 0 HG CYS A 36 4.688 2.178 4.555 1.00 0.00 H new ATOM 491 N GLY A 37 1.829 -2.103 6.184 1.00 0.00 N ATOM 492 CA GLY A 37 1.616 -3.454 6.674 1.00 0.00 C ATOM 493 C GLY A 37 0.141 -3.846 6.578 1.00 0.00 C ATOM 494 O GLY A 37 -0.436 -4.351 7.540 1.00 0.00 O ATOM 0 H GLY A 37 1.832 -1.383 6.906 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.220 -4.154 6.096 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.948 -3.526 7.710 1.00 0.00 H new ATOM 498 N GLN A 38 -0.429 -3.600 5.407 1.00 0.00 N ATOM 499 CA GLN A 38 -1.826 -3.922 5.172 1.00 0.00 C ATOM 500 C GLN A 38 -1.955 -4.911 4.012 1.00 0.00 C ATOM 501 O GLN A 38 -2.475 -6.012 4.185 1.00 0.00 O ATOM 502 CB GLN A 38 -2.642 -2.655 4.906 1.00 0.00 C ATOM 503 CG GLN A 38 -3.891 -2.613 5.789 1.00 0.00 C ATOM 504 CD GLN A 38 -4.578 -1.249 5.702 1.00 0.00 C ATOM 505 OE1 GLN A 38 -4.419 -0.504 4.749 1.00 0.00 O ATOM 506 NE2 GLN A 38 -5.349 -0.964 6.748 1.00 0.00 N ATOM 0 H GLN A 38 0.052 -3.181 4.611 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.227 -4.392 6.070 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.027 -1.775 5.097 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.933 -2.619 3.856 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.585 -3.394 5.480 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.617 -2.821 6.823 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.438 -1.633 7.513 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.851 -0.077 6.785 1.00 0.00 H new ATOM 515 N CYS A 39 -1.473 -4.483 2.854 1.00 0.00 N ATOM 516 CA CYS A 39 -1.528 -5.317 1.666 1.00 0.00 C ATOM 517 C CYS A 39 -0.099 -5.718 1.294 1.00 0.00 C ATOM 518 O CYS A 39 0.105 -6.618 0.480 1.00 0.00 O ATOM 519 CB CYS A 39 -2.241 -4.610 0.511 1.00 0.00 C ATOM 520 SG CYS A 39 -3.936 -4.036 0.893 1.00 0.00 S ATOM 0 H CYS A 39 -1.042 -3.569 2.714 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.113 -6.213 1.874 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.643 -3.752 0.204 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.286 -5.289 -0.340 1.00 0.00 H new ATOM 525 N PHE A 40 0.853 -5.032 1.908 1.00 0.00 N ATOM 526 CA PHE A 40 2.257 -5.306 1.652 1.00 0.00 C ATOM 527 C PHE A 40 3.052 -5.359 2.958 1.00 0.00 C ATOM 528 O PHE A 40 2.514 -5.082 4.029 1.00 0.00 O ATOM 529 CB PHE A 40 2.787 -4.157 0.792 1.00 0.00 C ATOM 530 CG PHE A 40 1.747 -3.559 -0.157 1.00 0.00 C ATOM 531 CD1 PHE A 40 1.530 -4.127 -1.374 1.00 0.00 C ATOM 532 CD2 PHE A 40 1.039 -2.459 0.215 1.00 0.00 C ATOM 533 CE1 PHE A 40 0.565 -3.573 -2.255 1.00 0.00 C ATOM 534 CE2 PHE A 40 0.074 -1.904 -0.667 1.00 0.00 C ATOM 535 CZ PHE A 40 -0.143 -2.472 -1.883 1.00 0.00 C ATOM 0 H PHE A 40 0.680 -4.287 2.582 1.00 0.00 H new ATOM 0 HA PHE A 40 2.364 -6.270 1.154 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.162 -3.370 1.446 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.634 -4.515 0.207 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.092 -5.000 -1.670 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.211 -2.008 1.181 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.393 -4.025 -3.221 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.488 -1.030 -0.372 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.877 -2.050 -2.553 1.00 0.00 H new ATOM 545 N SER A 41 4.321 -5.717 2.826 1.00 0.00 N ATOM 546 CA SER A 41 5.196 -5.810 3.983 1.00 0.00 C ATOM 547 C SER A 41 6.606 -5.348 3.610 1.00 0.00 C ATOM 548 O SER A 41 6.975 -5.352 2.437 1.00 0.00 O ATOM 549 CB SER A 41 5.233 -7.238 4.532 1.00 0.00 C ATOM 550 OG SER A 41 4.164 -7.489 5.439 1.00 0.00 O ATOM 0 H SER A 41 4.764 -5.946 1.936 1.00 0.00 H new ATOM 0 HA SER A 41 4.802 -5.160 4.764 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.180 -7.946 3.705 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.184 -7.408 5.037 1.00 0.00 H new ATOM 0 HG SER A 41 3.412 -6.896 5.231 1.00 0.00 H new ATOM 556 N PHE A 42 7.356 -4.960 4.632 1.00 0.00 N ATOM 557 CA PHE A 42 8.717 -4.495 4.426 1.00 0.00 C ATOM 558 C PHE A 42 9.542 -5.534 3.663 1.00 0.00 C ATOM 559 O PHE A 42 9.248 -6.727 3.718 1.00 0.00 O ATOM 560 CB PHE A 42 9.334 -4.290 5.812 1.00 0.00 C ATOM 561 CG PHE A 42 9.928 -2.897 6.028 1.00 0.00 C ATOM 562 CD1 PHE A 42 9.109 -1.840 6.276 1.00 0.00 C ATOM 563 CD2 PHE A 42 11.274 -2.716 5.973 1.00 0.00 C ATOM 564 CE1 PHE A 42 9.660 -0.547 6.477 1.00 0.00 C ATOM 565 CE2 PHE A 42 11.826 -1.423 6.175 1.00 0.00 C ATOM 566 CZ PHE A 42 11.007 -0.365 6.422 1.00 0.00 C ATOM 0 H PHE A 42 7.047 -4.958 5.604 1.00 0.00 H new ATOM 0 HA PHE A 42 8.711 -3.575 3.842 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.570 -4.470 6.569 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.115 -5.035 5.965 1.00 0.00 H new ATOM 0 HD1 PHE A 42 8.040 -1.984 6.320 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.924 -3.556 5.776 1.00 0.00 H new ATOM 0 HE1 PHE A 42 9.009 0.292 6.674 1.00 0.00 H new ATOM 0 HE2 PHE A 42 12.896 -1.280 6.133 1.00 0.00 H new ATOM 0 HZ PHE A 42 11.426 0.619 6.574 1.00 0.00 H new ATOM 576 N PRO A 43 10.585 -5.029 2.951 1.00 0.00 N ATOM 577 CA PRO A 43 10.863 -3.603 2.940 1.00 0.00 C ATOM 578 C PRO A 43 9.857 -2.855 2.063 1.00 0.00 C ATOM 579 O PRO A 43 9.999 -1.655 1.834 1.00 0.00 O ATOM 580 CB PRO A 43 12.292 -3.485 2.436 1.00 0.00 C ATOM 581 CG PRO A 43 12.601 -4.804 1.746 1.00 0.00 C ATOM 582 CD PRO A 43 11.523 -5.800 2.139 1.00 0.00 C ATOM 0 HA PRO A 43 10.763 -3.147 3.925 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.394 -2.649 1.744 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.983 -3.304 3.259 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.623 -4.673 0.664 1.00 0.00 H new ATOM 0 HG3 PRO A 43 13.584 -5.169 2.043 1.00 0.00 H new ATOM 0 HD2 PRO A 43 11.034 -6.221 1.261 1.00 0.00 H new ATOM 0 HD3 PRO A 43 11.941 -6.635 2.702 1.00 0.00 H new ATOM 590 N VAL A 44 8.862 -3.595 1.596 1.00 0.00 N ATOM 591 CA VAL A 44 7.832 -3.016 0.750 1.00 0.00 C ATOM 592 C VAL A 44 6.956 -2.081 1.587 1.00 0.00 C ATOM 593 O VAL A 44 6.521 -1.036 1.105 1.00 0.00 O ATOM 594 CB VAL A 44 7.034 -4.127 0.063 1.00 0.00 C ATOM 595 CG1 VAL A 44 6.391 -3.620 -1.230 1.00 0.00 C ATOM 596 CG2 VAL A 44 7.915 -5.349 -0.205 1.00 0.00 C ATOM 0 H VAL A 44 8.747 -4.590 1.787 1.00 0.00 H new ATOM 0 HA VAL A 44 8.281 -2.418 -0.043 1.00 0.00 H new ATOM 0 HB VAL A 44 6.234 -4.432 0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.830 -4.428 -1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.716 -2.795 -1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.168 -3.275 -1.912 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.324 -6.124 -0.694 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.745 -5.064 -0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.304 -5.731 0.739 1.00 0.00 H new ATOM 606 N SER A 45 6.725 -2.490 2.825 1.00 0.00 N ATOM 607 CA SER A 45 5.909 -1.701 3.733 1.00 0.00 C ATOM 608 C SER A 45 6.430 -0.264 3.791 1.00 0.00 C ATOM 609 O SER A 45 5.718 0.641 4.224 1.00 0.00 O ATOM 610 CB SER A 45 5.893 -2.316 5.134 1.00 0.00 C ATOM 611 OG SER A 45 5.840 -1.322 6.153 1.00 0.00 O ATOM 0 H SER A 45 7.088 -3.357 3.221 1.00 0.00 H new ATOM 0 HA SER A 45 4.886 -1.695 3.356 1.00 0.00 H new ATOM 0 HB2 SER A 45 5.033 -2.979 5.229 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.784 -2.929 5.271 1.00 0.00 H new ATOM 0 HG SER A 45 5.830 -1.755 7.032 1.00 0.00 H new ATOM 617 N GLN A 46 7.667 -0.099 3.347 1.00 0.00 N ATOM 618 CA GLN A 46 8.292 1.213 3.342 1.00 0.00 C ATOM 619 C GLN A 46 7.995 1.937 2.027 1.00 0.00 C ATOM 620 O GLN A 46 8.011 3.166 1.974 1.00 0.00 O ATOM 621 CB GLN A 46 9.799 1.104 3.581 1.00 0.00 C ATOM 622 CG GLN A 46 10.413 2.480 3.846 1.00 0.00 C ATOM 623 CD GLN A 46 10.930 2.582 5.282 1.00 0.00 C ATOM 624 OE1 GLN A 46 10.184 2.789 6.225 1.00 0.00 O ATOM 625 NE2 GLN A 46 12.246 2.426 5.396 1.00 0.00 N ATOM 0 H GLN A 46 8.254 -0.852 2.988 1.00 0.00 H new ATOM 0 HA GLN A 46 7.870 1.798 4.159 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.990 0.447 4.430 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.277 0.650 2.713 1.00 0.00 H new ATOM 0 HG2 GLN A 46 11.231 2.658 3.148 1.00 0.00 H new ATOM 0 HG3 GLN A 46 9.668 3.255 3.668 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.813 2.255 4.566 1.00 0.00 H new ATOM 0 HE22 GLN A 46 12.688 2.477 6.314 1.00 0.00 H new ATOM 634 N SER A 47 7.733 1.145 0.999 1.00 0.00 N ATOM 635 CA SER A 47 7.433 1.695 -0.312 1.00 0.00 C ATOM 636 C SER A 47 6.013 2.263 -0.330 1.00 0.00 C ATOM 637 O SER A 47 5.762 3.298 -0.945 1.00 0.00 O ATOM 638 CB SER A 47 7.595 0.636 -1.404 1.00 0.00 C ATOM 639 OG SER A 47 7.859 1.218 -2.678 1.00 0.00 O ATOM 0 H SER A 47 7.722 0.126 1.047 1.00 0.00 H new ATOM 0 HA SER A 47 8.141 2.499 -0.515 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.409 -0.038 -1.138 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.689 0.033 -1.462 1.00 0.00 H new ATOM 0 HG SER A 47 7.957 0.509 -3.347 1.00 0.00 H new ATOM 645 N CYS A 48 5.121 1.561 0.353 1.00 0.00 N ATOM 646 CA CYS A 48 3.732 1.982 0.424 1.00 0.00 C ATOM 647 C CYS A 48 3.693 3.428 0.923 1.00 0.00 C ATOM 648 O CYS A 48 3.301 4.332 0.188 1.00 0.00 O ATOM 649 CB CYS A 48 2.902 1.050 1.309 1.00 0.00 C ATOM 650 SG CYS A 48 1.487 1.849 2.151 1.00 0.00 S ATOM 0 H CYS A 48 5.333 0.703 0.862 1.00 0.00 H new ATOM 0 HA CYS A 48 3.283 1.929 -0.568 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.526 0.230 0.697 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.555 0.611 2.063 1.00 0.00 H new ATOM 655 N ALA A 49 4.106 3.601 2.170 1.00 0.00 N ATOM 656 CA ALA A 49 4.124 4.921 2.777 1.00 0.00 C ATOM 657 C ALA A 49 5.031 5.841 1.958 1.00 0.00 C ATOM 658 O ALA A 49 4.974 7.062 2.100 1.00 0.00 O ATOM 659 CB ALA A 49 4.572 4.807 4.235 1.00 0.00 C ATOM 0 H ALA A 49 4.431 2.848 2.777 1.00 0.00 H new ATOM 0 HA ALA A 49 3.125 5.357 2.777 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.585 5.797 4.690 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.878 4.167 4.780 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.572 4.376 4.276 1.00 0.00 H new ATOM 665 N GLY A 50 5.848 5.221 1.120 1.00 0.00 N ATOM 666 CA GLY A 50 6.766 5.969 0.278 1.00 0.00 C ATOM 667 C GLY A 50 6.050 6.530 -0.952 1.00 0.00 C ATOM 668 O GLY A 50 6.122 7.728 -1.224 1.00 0.00 O ATOM 0 H GLY A 50 5.894 4.208 1.006 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.207 6.785 0.850 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.585 5.322 -0.037 1.00 0.00 H new ATOM 672 N MET A 51 5.375 5.638 -1.662 1.00 0.00 N ATOM 673 CA MET A 51 4.646 6.030 -2.857 1.00 0.00 C ATOM 674 C MET A 51 3.245 6.534 -2.504 1.00 0.00 C ATOM 675 O MET A 51 2.389 6.662 -3.378 1.00 0.00 O ATOM 676 CB MET A 51 4.535 4.832 -3.802 1.00 0.00 C ATOM 677 CG MET A 51 4.134 5.279 -5.209 1.00 0.00 C ATOM 678 SD MET A 51 5.590 5.482 -6.223 1.00 0.00 S ATOM 679 CE MET A 51 5.578 7.254 -6.432 1.00 0.00 C ATOM 0 H MET A 51 5.317 4.646 -1.433 1.00 0.00 H new ATOM 0 HA MET A 51 5.190 6.839 -3.344 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.489 4.306 -3.842 1.00 0.00 H new ATOM 0 HB3 MET A 51 3.798 4.127 -3.417 1.00 0.00 H new ATOM 0 HG2 MET A 51 3.468 4.542 -5.658 1.00 0.00 H new ATOM 0 HG3 MET A 51 3.582 6.218 -5.158 1.00 0.00 H new ATOM 0 HE1 MET A 51 6.427 7.554 -7.046 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.652 7.556 -6.921 1.00 0.00 H new ATOM 0 HE3 MET A 51 5.647 7.736 -5.457 1.00 0.00 H new ATOM 689 N ALA A 52 3.055 6.806 -1.221 1.00 0.00 N ATOM 690 CA ALA A 52 1.773 7.293 -0.742 1.00 0.00 C ATOM 691 C ALA A 52 1.762 8.823 -0.791 1.00 0.00 C ATOM 692 O ALA A 52 1.169 9.471 0.070 1.00 0.00 O ATOM 693 CB ALA A 52 1.515 6.754 0.666 1.00 0.00 C ATOM 0 H ALA A 52 3.767 6.698 -0.499 1.00 0.00 H new ATOM 0 HA ALA A 52 0.965 6.936 -1.381 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.553 7.120 1.025 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.503 5.664 0.642 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.305 7.093 1.336 1.00 0.00 H new ATOM 699 N ASP A 53 2.426 9.355 -1.807 1.00 0.00 N ATOM 700 CA ASP A 53 2.501 10.795 -1.980 1.00 0.00 C ATOM 701 C ASP A 53 3.080 11.427 -0.712 1.00 0.00 C ATOM 702 O ASP A 53 3.142 10.783 0.334 1.00 0.00 O ATOM 703 CB ASP A 53 1.113 11.395 -2.215 1.00 0.00 C ATOM 704 CG ASP A 53 0.877 11.947 -3.622 1.00 0.00 C ATOM 705 OD1 ASP A 53 1.887 12.131 -4.336 1.00 0.00 O ATOM 706 OD2 ASP A 53 -0.307 12.174 -3.952 1.00 0.00 O ATOM 0 H ASP A 53 2.917 8.814 -2.519 1.00 0.00 H new ATOM 0 HA ASP A 53 3.133 10.998 -2.845 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.364 10.630 -2.011 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.954 12.198 -1.495 1.00 0.00 H new ATOM 711 N SER A 54 3.489 12.680 -0.848 1.00 0.00 N ATOM 712 CA SER A 54 4.061 13.406 0.273 1.00 0.00 C ATOM 713 C SER A 54 2.999 14.303 0.912 1.00 0.00 C ATOM 714 O SER A 54 2.322 13.896 1.855 1.00 0.00 O ATOM 715 CB SER A 54 5.265 14.241 -0.167 1.00 0.00 C ATOM 716 OG SER A 54 6.499 13.639 0.213 1.00 0.00 O ATOM 0 H SER A 54 3.436 13.211 -1.717 1.00 0.00 H new ATOM 0 HA SER A 54 4.406 12.680 1.009 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.242 14.368 -1.249 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.196 15.236 0.273 1.00 0.00 H new ATOM 0 HG SER A 54 7.243 14.201 -0.087 1.00 0.00 H new ATOM 722 N ASN A 55 2.885 15.508 0.373 1.00 0.00 N ATOM 723 CA ASN A 55 1.917 16.466 0.878 1.00 0.00 C ATOM 724 C ASN A 55 0.747 16.569 -0.102 1.00 0.00 C ATOM 725 O ASN A 55 -0.257 17.216 0.189 1.00 0.00 O ATOM 726 CB ASN A 55 2.539 17.857 1.019 1.00 0.00 C ATOM 727 CG ASN A 55 2.108 18.521 2.327 1.00 0.00 C ATOM 728 OD1 ASN A 55 0.988 18.980 2.481 1.00 0.00 O ATOM 729 ND2 ASN A 55 3.057 18.547 3.259 1.00 0.00 N ATOM 0 H ASN A 55 3.448 15.843 -0.409 1.00 0.00 H new ATOM 0 HA ASN A 55 1.581 16.120 1.856 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.626 17.778 0.988 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.241 18.480 0.176 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.868 18.969 4.168 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.974 18.145 3.065 1.00 0.00 H new ATOM 736 N ASP A 56 0.916 15.920 -1.245 1.00 0.00 N ATOM 737 CA ASP A 56 -0.113 15.930 -2.271 1.00 0.00 C ATOM 738 C ASP A 56 -1.265 15.018 -1.840 1.00 0.00 C ATOM 739 O ASP A 56 -2.387 15.159 -2.325 1.00 0.00 O ATOM 740 CB ASP A 56 0.430 15.407 -3.602 1.00 0.00 C ATOM 741 CG ASP A 56 1.835 15.895 -3.963 1.00 0.00 C ATOM 742 OD1 ASP A 56 2.129 17.066 -3.639 1.00 0.00 O ATOM 743 OD2 ASP A 56 2.582 15.087 -4.554 1.00 0.00 O ATOM 0 H ASP A 56 1.750 15.384 -1.483 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.451 16.958 -2.399 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.437 14.317 -3.572 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.256 15.700 -4.397 1.00 0.00 H new ATOM 748 N CYS A 57 -0.947 14.105 -0.935 1.00 0.00 N ATOM 749 CA CYS A 57 -1.941 13.171 -0.434 1.00 0.00 C ATOM 750 C CYS A 57 -2.843 13.913 0.554 1.00 0.00 C ATOM 751 O CYS A 57 -2.429 14.905 1.153 1.00 0.00 O ATOM 752 CB CYS A 57 -1.292 11.939 0.200 1.00 0.00 C ATOM 753 SG CYS A 57 -1.769 10.344 -0.558 1.00 0.00 S ATOM 0 H CYS A 57 -0.015 13.992 -0.535 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.542 12.797 -1.263 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.209 12.045 0.139 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.551 11.914 1.259 1.00 0.00 H new ATOM 758 N PRO A 58 -4.090 13.391 0.698 1.00 0.00 N ATOM 759 CA PRO A 58 -5.054 13.994 1.604 1.00 0.00 C ATOM 760 C PRO A 58 -4.714 13.671 3.060 1.00 0.00 C ATOM 761 O PRO A 58 -5.542 13.128 3.789 1.00 0.00 O ATOM 762 CB PRO A 58 -6.401 13.437 1.172 1.00 0.00 C ATOM 763 CG PRO A 58 -6.095 12.196 0.350 1.00 0.00 C ATOM 764 CD PRO A 58 -4.615 12.218 0.006 1.00 0.00 C ATOM 0 HA PRO A 58 -5.053 15.083 1.555 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.017 13.190 2.037 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.955 14.168 0.584 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.343 11.295 0.912 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.698 12.181 -0.558 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.118 11.307 0.339 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.460 12.291 -1.070 1.00 0.00 H new ATOM 772 N ASN A 59 -3.493 14.020 3.440 1.00 0.00 N ATOM 773 CA ASN A 59 -3.033 13.775 4.797 1.00 0.00 C ATOM 774 C ASN A 59 -3.287 15.020 5.649 1.00 0.00 C ATOM 775 O ASN A 59 -3.547 16.098 5.118 1.00 0.00 O ATOM 776 CB ASN A 59 -1.532 13.481 4.824 1.00 0.00 C ATOM 777 CG ASN A 59 -1.253 12.019 4.471 1.00 0.00 C ATOM 778 OD1 ASN A 59 -2.125 11.279 4.046 1.00 0.00 O ATOM 779 ND2 ASN A 59 0.008 11.646 4.669 1.00 0.00 N ATOM 0 H ASN A 59 -2.809 14.470 2.832 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.576 12.915 5.188 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.017 14.134 4.119 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.132 13.703 5.814 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.295 10.689 4.462 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.688 12.317 5.027 1.00 0.00 H new ATOM 786 N ALA A 60 -3.203 14.829 6.958 1.00 0.00 N ATOM 787 CA ALA A 60 -3.420 15.922 7.889 1.00 0.00 C ATOM 788 C ALA A 60 -4.590 16.779 7.400 1.00 0.00 C ATOM 789 O ALA A 60 -5.035 17.687 8.100 1.00 0.00 O ATOM 790 CB ALA A 60 -2.129 16.730 8.039 1.00 0.00 C ATOM 0 H ALA A 60 -2.988 13.933 7.395 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.681 15.539 8.875 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.292 17.550 8.738 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.337 16.084 8.417 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.837 17.132 7.069 1.00 0.00 H new TER 796 ALA A 60