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 Single : A 1 ASP N :NH3+ 143:sc= 0.00958 (180deg=0) USER MOD Single : A 6 TYR OH : rot 112:sc= -0.956 USER MOD Single : A 7 THR OG1 : rot 48:sc= -1.06! USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -102:sc= 0.0889 USER MOD Single : A 13 TYR OH : 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= -0.384 K(o=-0.38,f=-3.1!) USER MOD Single : A 17 SER OG : rot 130:sc= -1.6 USER MOD Single : A 18 GLN : amide:sc= -0.229 K(o=-0.23,f=-1.2!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 169:sc= -5.53! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -3.2 K(o=-3.2,f=-5.5!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -105:sc= -8.24! USER MOD Single : A 38 GLN : amide:sc= -2.84 K(o=-2.8,f=-11!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 130:sc= -1.82! USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 47 SER OG : rot 180:sc= -0.333 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= -0.141 K(o=-0.14,f=-1.4!) USER MOD Single : A 59 ASN : amide:sc= -0.528 K(o=-0.53,f=-2.6) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 9.997 -7.261 -6.014 1.00 0.00 N ATOM 2 CA ASP A 1 8.624 -7.390 -6.472 1.00 0.00 C ATOM 3 C ASP A 1 7.675 -7.167 -5.294 1.00 0.00 C ATOM 4 O ASP A 1 7.880 -7.718 -4.213 1.00 0.00 O ATOM 5 CB ASP A 1 8.361 -8.789 -7.033 1.00 0.00 C ATOM 6 CG ASP A 1 6.950 -9.010 -7.583 1.00 0.00 C ATOM 7 OD1 ASP A 1 6.076 -8.178 -7.255 1.00 0.00 O ATOM 8 OD2 ASP A 1 6.777 -10.005 -8.319 1.00 0.00 O ATOM 0 H1 ASP A 1 10.595 -7.953 -6.510 1.00 0.00 H new ATOM 0 H2 ASP A 1 10.341 -6.300 -6.214 1.00 0.00 H new ATOM 0 H3 ASP A 1 10.039 -7.438 -4.990 1.00 0.00 H new ATOM 0 HA ASP A 1 8.458 -6.650 -7.255 1.00 0.00 H new ATOM 0 HB2 ASP A 1 9.080 -8.986 -7.828 1.00 0.00 H new ATOM 0 HB3 ASP A 1 8.547 -9.520 -6.247 1.00 0.00 H new ATOM 13 N ILE A 2 6.655 -6.357 -5.541 1.00 0.00 N ATOM 14 CA ILE A 2 5.674 -6.054 -4.514 1.00 0.00 C ATOM 15 C ILE A 2 4.661 -7.198 -4.429 1.00 0.00 C ATOM 16 O ILE A 2 4.266 -7.602 -3.336 1.00 0.00 O ATOM 17 CB ILE A 2 5.037 -4.687 -4.768 1.00 0.00 C ATOM 18 CG1 ILE A 2 3.800 -4.815 -5.660 1.00 0.00 C ATOM 19 CG2 ILE A 2 6.059 -3.704 -5.343 1.00 0.00 C ATOM 20 CD1 ILE A 2 3.059 -3.481 -5.765 1.00 0.00 C ATOM 0 H ILE A 2 6.488 -5.902 -6.438 1.00 0.00 H new ATOM 0 HA ILE A 2 6.155 -5.980 -3.539 1.00 0.00 H new ATOM 0 HB ILE A 2 4.704 -4.283 -3.812 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.097 -5.149 -6.654 1.00 0.00 H new ATOM 0 HG13 ILE A 2 3.132 -5.575 -5.255 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.580 -2.740 -5.514 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.881 -3.581 -4.638 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.445 -4.090 -6.287 1.00 0.00 H new ATOM 0 HD11 ILE A 2 2.184 -3.600 -6.404 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.742 -3.162 -4.772 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.722 -2.729 -6.193 1.00 0.00 H new ATOM 32 N GLU A 3 4.270 -7.687 -5.596 1.00 0.00 N ATOM 33 CA GLU A 3 3.311 -8.777 -5.668 1.00 0.00 C ATOM 34 C GLU A 3 3.787 -9.959 -4.822 1.00 0.00 C ATOM 35 O GLU A 3 2.976 -10.748 -4.339 1.00 0.00 O ATOM 36 CB GLU A 3 3.070 -9.201 -7.118 1.00 0.00 C ATOM 37 CG GLU A 3 1.966 -10.257 -7.204 1.00 0.00 C ATOM 38 CD GLU A 3 2.556 -11.649 -7.437 1.00 0.00 C ATOM 39 OE1 GLU A 3 3.434 -12.035 -6.636 1.00 0.00 O ATOM 40 OE2 GLU A 3 2.115 -12.297 -8.411 1.00 0.00 O ATOM 0 H GLU A 3 4.600 -7.349 -6.500 1.00 0.00 H new ATOM 0 HA GLU A 3 2.361 -8.426 -5.265 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.793 -8.331 -7.714 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.992 -9.598 -7.543 1.00 0.00 H new ATOM 0 HG2 GLU A 3 1.383 -10.255 -6.283 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.282 -10.008 -8.015 1.00 0.00 H new ATOM 47 N ASP A 4 5.101 -10.046 -4.669 1.00 0.00 N ATOM 48 CA ASP A 4 5.695 -11.119 -3.890 1.00 0.00 C ATOM 49 C ASP A 4 5.466 -10.849 -2.402 1.00 0.00 C ATOM 50 O ASP A 4 5.720 -11.714 -1.565 1.00 0.00 O ATOM 51 CB ASP A 4 7.203 -11.203 -4.130 1.00 0.00 C ATOM 52 CG ASP A 4 7.686 -12.514 -4.755 1.00 0.00 C ATOM 53 OD1 ASP A 4 7.401 -12.709 -5.956 1.00 0.00 O ATOM 54 OD2 ASP A 4 8.331 -13.291 -4.018 1.00 0.00 O ATOM 0 H ASP A 4 5.771 -9.390 -5.072 1.00 0.00 H new ATOM 0 HA ASP A 4 5.229 -12.056 -4.195 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.499 -10.378 -4.778 1.00 0.00 H new ATOM 0 HB3 ASP A 4 7.716 -11.061 -3.179 1.00 0.00 H new ATOM 59 N PHE A 5 4.990 -9.646 -2.117 1.00 0.00 N ATOM 60 CA PHE A 5 4.725 -9.252 -0.744 1.00 0.00 C ATOM 61 C PHE A 5 3.261 -8.846 -0.563 1.00 0.00 C ATOM 62 O PHE A 5 2.903 -8.232 0.441 1.00 0.00 O ATOM 63 CB PHE A 5 5.617 -8.045 -0.445 1.00 0.00 C ATOM 64 CG PHE A 5 7.021 -8.413 0.039 1.00 0.00 C ATOM 65 CD1 PHE A 5 8.007 -8.666 -0.863 1.00 0.00 C ATOM 66 CD2 PHE A 5 7.283 -8.488 1.372 1.00 0.00 C ATOM 67 CE1 PHE A 5 9.310 -9.008 -0.414 1.00 0.00 C ATOM 68 CE2 PHE A 5 8.586 -8.830 1.821 1.00 0.00 C ATOM 69 CZ PHE A 5 9.572 -9.083 0.919 1.00 0.00 C ATOM 0 H PHE A 5 4.781 -8.931 -2.814 1.00 0.00 H new ATOM 0 HA PHE A 5 4.929 -10.085 -0.072 1.00 0.00 H new ATOM 0 HB2 PHE A 5 5.702 -7.437 -1.346 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.133 -7.427 0.312 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.799 -8.607 -1.921 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.500 -8.287 2.088 1.00 0.00 H new ATOM 0 HE1 PHE A 5 10.093 -9.209 -1.130 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.794 -8.889 2.879 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.563 -9.343 1.261 1.00 0.00 H new ATOM 79 N TYR A 6 2.454 -9.207 -1.550 1.00 0.00 N ATOM 80 CA TYR A 6 1.037 -8.889 -1.512 1.00 0.00 C ATOM 81 C TYR A 6 0.285 -9.841 -0.580 1.00 0.00 C ATOM 82 O TYR A 6 0.320 -11.056 -0.769 1.00 0.00 O ATOM 83 CB TYR A 6 0.523 -9.081 -2.940 1.00 0.00 C ATOM 84 CG TYR A 6 -0.898 -8.560 -3.166 1.00 0.00 C ATOM 85 CD1 TYR A 6 -1.376 -7.509 -2.410 1.00 0.00 C ATOM 86 CD2 TYR A 6 -1.701 -9.142 -4.125 1.00 0.00 C ATOM 87 CE1 TYR A 6 -2.713 -7.019 -2.622 1.00 0.00 C ATOM 88 CE2 TYR A 6 -3.039 -8.652 -4.338 1.00 0.00 C ATOM 89 CZ TYR A 6 -3.478 -7.615 -3.576 1.00 0.00 C ATOM 90 OH TYR A 6 -4.741 -7.152 -3.776 1.00 0.00 O ATOM 0 H TYR A 6 2.755 -9.717 -2.381 1.00 0.00 H new ATOM 0 HA TYR A 6 0.882 -7.875 -1.144 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.198 -8.574 -3.629 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.553 -10.142 -3.186 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -0.747 -7.054 -1.659 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.327 -9.965 -4.716 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.100 -6.197 -2.037 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.678 -9.098 -5.085 1.00 0.00 H new ATOM 0 HH TYR A 6 -4.796 -6.721 -4.654 1.00 0.00 H new ATOM 100 N THR A 7 -0.376 -9.254 0.407 1.00 0.00 N ATOM 101 CA THR A 7 -1.134 -10.035 1.369 1.00 0.00 C ATOM 102 C THR A 7 -2.636 -9.859 1.134 1.00 0.00 C ATOM 103 O THR A 7 -3.251 -8.947 1.684 1.00 0.00 O ATOM 104 CB THR A 7 -0.686 -9.622 2.772 1.00 0.00 C ATOM 105 OG1 THR A 7 -1.358 -8.386 3.001 1.00 0.00 O ATOM 106 CG2 THR A 7 0.798 -9.255 2.829 1.00 0.00 C ATOM 0 H THR A 7 -0.402 -8.246 0.561 1.00 0.00 H new ATOM 0 HA THR A 7 -0.941 -11.101 1.252 1.00 0.00 H new ATOM 0 HB THR A 7 -0.886 -10.435 3.470 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.305 -8.480 2.766 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.063 -8.970 3.847 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.397 -10.113 2.525 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.992 -8.420 2.156 1.00 0.00 H new ATOM 114 N SER A 8 -3.182 -10.746 0.315 1.00 0.00 N ATOM 115 CA SER A 8 -4.600 -10.700 0.000 1.00 0.00 C ATOM 116 C SER A 8 -5.419 -11.166 1.205 1.00 0.00 C ATOM 117 O SER A 8 -6.648 -11.150 1.168 1.00 0.00 O ATOM 118 CB SER A 8 -4.920 -11.560 -1.224 1.00 0.00 C ATOM 119 OG SER A 8 -5.387 -10.776 -2.319 1.00 0.00 O ATOM 0 H SER A 8 -2.668 -11.501 -0.140 1.00 0.00 H new ATOM 0 HA SER A 8 -4.865 -9.669 -0.234 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.028 -12.109 -1.525 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.675 -12.300 -0.960 1.00 0.00 H new ATOM 0 HG SER A 8 -5.579 -11.361 -3.082 1.00 0.00 H new ATOM 125 N GLU A 9 -4.705 -11.571 2.245 1.00 0.00 N ATOM 126 CA GLU A 9 -5.350 -12.041 3.459 1.00 0.00 C ATOM 127 C GLU A 9 -5.887 -10.858 4.267 1.00 0.00 C ATOM 128 O GLU A 9 -7.035 -10.875 4.710 1.00 0.00 O ATOM 129 CB GLU A 9 -4.390 -12.887 4.298 1.00 0.00 C ATOM 130 CG GLU A 9 -5.038 -14.213 4.702 1.00 0.00 C ATOM 131 CD GLU A 9 -4.739 -14.546 6.165 1.00 0.00 C ATOM 132 OE1 GLU A 9 -3.541 -14.724 6.473 1.00 0.00 O ATOM 133 OE2 GLU A 9 -5.716 -14.616 6.942 1.00 0.00 O ATOM 0 H GLU A 9 -3.685 -11.583 2.272 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.191 -12.676 3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.480 -13.081 3.731 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.098 -12.334 5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.116 -14.156 4.551 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.668 -15.013 4.060 1.00 0.00 H new ATOM 140 N THR A 10 -5.033 -9.860 4.434 1.00 0.00 N ATOM 141 CA THR A 10 -5.407 -8.671 5.180 1.00 0.00 C ATOM 142 C THR A 10 -5.862 -7.564 4.227 1.00 0.00 C ATOM 143 O THR A 10 -6.632 -6.685 4.613 1.00 0.00 O ATOM 144 CB THR A 10 -4.219 -8.268 6.056 1.00 0.00 C ATOM 145 OG1 THR A 10 -4.496 -6.919 6.419 1.00 0.00 O ATOM 146 CG2 THR A 10 -2.912 -8.181 5.265 1.00 0.00 C ATOM 0 H THR A 10 -4.082 -9.850 4.065 1.00 0.00 H new ATOM 0 HA THR A 10 -6.259 -8.866 5.832 1.00 0.00 H new ATOM 0 HB THR A 10 -4.106 -8.988 6.867 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.958 -6.314 5.867 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.101 -7.892 5.933 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.689 -9.152 4.823 1.00 0.00 H new ATOM 0 HG23 THR A 10 -3.014 -7.437 4.475 1.00 0.00 H new ATOM 154 N CYS A 11 -5.366 -7.642 3.001 1.00 0.00 N ATOM 155 CA CYS A 11 -5.712 -6.657 1.990 1.00 0.00 C ATOM 156 C CYS A 11 -7.212 -6.765 1.708 1.00 0.00 C ATOM 157 O CYS A 11 -7.749 -7.865 1.595 1.00 0.00 O ATOM 158 CB CYS A 11 -4.879 -6.835 0.719 1.00 0.00 C ATOM 159 SG CYS A 11 -5.010 -5.462 -0.483 1.00 0.00 S ATOM 0 H CYS A 11 -4.727 -8.372 2.685 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.483 -5.657 2.359 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.833 -6.954 1.001 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.184 -7.759 0.228 1.00 0.00 H new ATOM 164 N PRO A 12 -7.863 -5.575 1.600 1.00 0.00 N ATOM 165 CA PRO A 12 -9.291 -5.525 1.334 1.00 0.00 C ATOM 166 C PRO A 12 -9.588 -5.859 -0.129 1.00 0.00 C ATOM 167 O PRO A 12 -10.689 -6.296 -0.458 1.00 0.00 O ATOM 168 CB PRO A 12 -9.713 -4.116 1.719 1.00 0.00 C ATOM 169 CG PRO A 12 -8.437 -3.291 1.745 1.00 0.00 C ATOM 170 CD PRO A 12 -7.260 -4.252 1.729 1.00 0.00 C ATOM 0 HA PRO A 12 -9.852 -6.265 1.905 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.425 -3.711 1.000 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.203 -4.107 2.692 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.396 -2.624 0.884 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.406 -2.664 2.636 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.588 -4.041 0.898 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.672 -4.173 2.643 1.00 0.00 H new ATOM 178 N TYR A 13 -8.585 -5.641 -0.968 1.00 0.00 N ATOM 179 CA TYR A 13 -8.725 -5.914 -2.388 1.00 0.00 C ATOM 180 C TYR A 13 -7.886 -7.126 -2.799 1.00 0.00 C ATOM 181 O TYR A 13 -7.170 -7.696 -1.978 1.00 0.00 O ATOM 182 CB TYR A 13 -8.196 -4.673 -3.110 1.00 0.00 C ATOM 183 CG TYR A 13 -8.852 -3.366 -2.663 1.00 0.00 C ATOM 184 CD1 TYR A 13 -10.127 -3.052 -3.089 1.00 0.00 C ATOM 185 CD2 TYR A 13 -8.170 -2.500 -1.833 1.00 0.00 C ATOM 186 CE1 TYR A 13 -10.745 -1.821 -2.668 1.00 0.00 C ATOM 187 CE2 TYR A 13 -8.788 -1.269 -1.412 1.00 0.00 C ATOM 188 CZ TYR A 13 -10.045 -0.991 -1.850 1.00 0.00 C ATOM 189 OH TYR A 13 -10.628 0.172 -1.453 1.00 0.00 O ATOM 0 H TYR A 13 -7.673 -5.279 -0.691 1.00 0.00 H new ATOM 0 HA TYR A 13 -9.764 -6.131 -2.637 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -7.121 -4.602 -2.948 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -8.349 -4.796 -4.182 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -10.661 -3.730 -3.738 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -7.173 -2.745 -1.499 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -11.742 -1.563 -2.995 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -8.265 -0.582 -0.763 1.00 0.00 H new ATOM 0 HH TYR A 13 -10.013 0.664 -0.871 1.00 0.00 H new ATOM 199 N LYS A 14 -8.003 -7.482 -4.070 1.00 0.00 N ATOM 200 CA LYS A 14 -7.264 -8.616 -4.600 1.00 0.00 C ATOM 201 C LYS A 14 -7.014 -8.403 -6.094 1.00 0.00 C ATOM 202 O LYS A 14 -6.769 -7.280 -6.532 1.00 0.00 O ATOM 203 CB LYS A 14 -7.987 -9.925 -4.278 1.00 0.00 C ATOM 204 CG LYS A 14 -9.333 -10.001 -5.002 1.00 0.00 C ATOM 205 CD LYS A 14 -10.341 -9.026 -4.390 1.00 0.00 C ATOM 206 CE LYS A 14 -10.707 -7.921 -5.382 1.00 0.00 C ATOM 207 NZ LYS A 14 -11.960 -8.258 -6.094 1.00 0.00 N ATOM 0 H LYS A 14 -8.598 -7.006 -4.748 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.288 -8.692 -4.121 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.364 -10.770 -4.571 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.144 -10.003 -3.202 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.195 -9.771 -6.059 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.724 -11.017 -4.945 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.240 -9.566 -4.093 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.922 -8.584 -3.486 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.825 -6.975 -4.854 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.898 -7.787 -6.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.194 -7.497 -6.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.835 -9.150 -6.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.733 -8.363 -5.406 1.00 0.00 H new ATOM 221 N ASN A 15 -7.084 -9.498 -6.835 1.00 0.00 N ATOM 222 CA ASN A 15 -6.869 -9.445 -8.271 1.00 0.00 C ATOM 223 C ASN A 15 -5.380 -9.232 -8.552 1.00 0.00 C ATOM 224 O ASN A 15 -4.726 -10.092 -9.140 1.00 0.00 O ATOM 225 CB ASN A 15 -7.640 -8.284 -8.901 1.00 0.00 C ATOM 226 CG ASN A 15 -8.616 -8.787 -9.967 1.00 0.00 C ATOM 227 OD1 ASN A 15 -8.806 -9.977 -10.159 1.00 0.00 O ATOM 228 ND2 ASN A 15 -9.223 -7.818 -10.645 1.00 0.00 N ATOM 0 H ASN A 15 -7.287 -10.428 -6.468 1.00 0.00 H new ATOM 0 HA ASN A 15 -7.219 -10.384 -8.699 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -8.187 -7.744 -8.128 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -6.940 -7.578 -9.348 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -9.894 -8.051 -11.377 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -9.018 -6.842 -10.433 1.00 0.00 H new ATOM 235 N ASP A 16 -4.888 -8.081 -8.118 1.00 0.00 N ATOM 236 CA ASP A 16 -3.488 -7.744 -8.315 1.00 0.00 C ATOM 237 C ASP A 16 -3.015 -6.857 -7.162 1.00 0.00 C ATOM 238 O ASP A 16 -3.821 -6.190 -6.515 1.00 0.00 O ATOM 239 CB ASP A 16 -3.286 -6.971 -9.620 1.00 0.00 C ATOM 240 CG ASP A 16 -2.439 -7.690 -10.672 1.00 0.00 C ATOM 241 OD1 ASP A 16 -3.037 -8.464 -11.450 1.00 0.00 O ATOM 242 OD2 ASP A 16 -1.213 -7.448 -10.675 1.00 0.00 O ATOM 0 H ASP A 16 -5.434 -7.370 -7.631 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.919 -8.673 -8.355 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.263 -6.752 -10.050 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.817 -6.014 -9.389 1.00 0.00 H new ATOM 247 N SER A 17 -1.709 -6.877 -6.939 1.00 0.00 N ATOM 248 CA SER A 17 -1.118 -6.083 -5.875 1.00 0.00 C ATOM 249 C SER A 17 -1.062 -4.612 -6.291 1.00 0.00 C ATOM 250 O SER A 17 -1.149 -3.721 -5.447 1.00 0.00 O ATOM 251 CB SER A 17 0.282 -6.589 -5.523 1.00 0.00 C ATOM 252 OG SER A 17 1.009 -5.646 -4.740 1.00 0.00 O ATOM 0 H SER A 17 -1.043 -7.431 -7.477 1.00 0.00 H new ATOM 0 HA SER A 17 -1.743 -6.180 -4.987 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.201 -7.529 -4.976 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.832 -6.800 -6.440 1.00 0.00 H new ATOM 0 HG SER A 17 1.383 -6.094 -3.953 1.00 0.00 H new ATOM 258 N GLN A 18 -0.917 -4.402 -7.591 1.00 0.00 N ATOM 259 CA GLN A 18 -0.849 -3.053 -8.128 1.00 0.00 C ATOM 260 C GLN A 18 -2.173 -2.323 -7.900 1.00 0.00 C ATOM 261 O GLN A 18 -2.234 -1.098 -7.990 1.00 0.00 O ATOM 262 CB GLN A 18 -0.482 -3.073 -9.613 1.00 0.00 C ATOM 263 CG GLN A 18 -0.027 -1.690 -10.084 1.00 0.00 C ATOM 264 CD GLN A 18 1.283 -1.782 -10.870 1.00 0.00 C ATOM 265 OE1 GLN A 18 2.127 -2.627 -10.622 1.00 0.00 O ATOM 266 NE2 GLN A 18 1.404 -0.868 -11.828 1.00 0.00 N ATOM 0 H GLN A 18 -0.845 -5.143 -8.288 1.00 0.00 H new ATOM 0 HA GLN A 18 -0.064 -2.512 -7.600 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.312 -3.799 -9.785 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -1.342 -3.396 -10.200 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -0.800 -1.242 -10.709 1.00 0.00 H new ATOM 0 HG3 GLN A 18 0.106 -1.034 -9.223 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.659 -0.189 -11.982 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.242 -0.846 -12.409 1.00 0.00 H new ATOM 275 N LEU A 19 -3.202 -3.106 -7.608 1.00 0.00 N ATOM 276 CA LEU A 19 -4.522 -2.549 -7.366 1.00 0.00 C ATOM 277 C LEU A 19 -4.536 -1.856 -6.003 1.00 0.00 C ATOM 278 O LEU A 19 -4.684 -0.637 -5.923 1.00 0.00 O ATOM 279 CB LEU A 19 -5.595 -3.629 -7.518 1.00 0.00 C ATOM 280 CG LEU A 19 -7.004 -3.242 -7.066 1.00 0.00 C ATOM 281 CD1 LEU A 19 -7.515 -2.026 -7.843 1.00 0.00 C ATOM 282 CD2 LEU A 19 -7.960 -4.432 -7.172 1.00 0.00 C ATOM 0 H LEU A 19 -3.148 -4.122 -7.534 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.758 -1.790 -8.112 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.639 -3.924 -8.566 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.282 -4.507 -6.953 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.959 -2.957 -6.015 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.519 -1.772 -7.502 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.849 -1.180 -7.673 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.542 -2.259 -8.907 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.955 -4.130 -6.845 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.006 -4.771 -8.207 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.601 -5.244 -6.540 1.00 0.00 H new ATOM 294 N ALA A 20 -4.380 -2.662 -4.963 1.00 0.00 N ATOM 295 CA ALA A 20 -4.373 -2.141 -3.606 1.00 0.00 C ATOM 296 C ALA A 20 -3.240 -1.123 -3.462 1.00 0.00 C ATOM 297 O ALA A 20 -3.298 -0.243 -2.604 1.00 0.00 O ATOM 298 CB ALA A 20 -4.245 -3.300 -2.615 1.00 0.00 C ATOM 0 H ALA A 20 -4.257 -3.672 -5.033 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.309 -1.627 -3.387 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.240 -2.910 -1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.088 -3.979 -2.739 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.316 -3.838 -2.802 1.00 0.00 H new ATOM 304 N TRP A 21 -2.237 -1.276 -4.313 1.00 0.00 N ATOM 305 CA TRP A 21 -1.093 -0.381 -4.291 1.00 0.00 C ATOM 306 C TRP A 21 -1.519 0.947 -4.919 1.00 0.00 C ATOM 307 O TRP A 21 -1.296 2.011 -4.343 1.00 0.00 O ATOM 308 CB TRP A 21 0.112 -1.014 -4.990 1.00 0.00 C ATOM 309 CG TRP A 21 1.192 -0.010 -5.399 1.00 0.00 C ATOM 310 CD1 TRP A 21 1.261 0.716 -6.523 1.00 0.00 C ATOM 311 CD2 TRP A 21 2.363 0.352 -4.636 1.00 0.00 C ATOM 312 NE1 TRP A 21 2.385 1.516 -6.542 1.00 0.00 N ATOM 313 CE2 TRP A 21 3.076 1.288 -5.357 1.00 0.00 C ATOM 314 CE3 TRP A 21 2.804 -0.096 -3.379 1.00 0.00 C ATOM 315 CZ2 TRP A 21 4.274 1.855 -4.904 1.00 0.00 C ATOM 316 CZ3 TRP A 21 4.002 0.481 -2.940 1.00 0.00 C ATOM 317 CH2 TRP A 21 4.732 1.423 -3.654 1.00 0.00 C ATOM 0 H TRP A 21 -2.193 -2.007 -5.023 1.00 0.00 H new ATOM 0 HA TRP A 21 -0.770 -0.194 -3.267 1.00 0.00 H new ATOM 0 HB2 TRP A 21 0.554 -1.758 -4.327 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -0.233 -1.543 -5.878 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.528 0.680 -7.315 1.00 0.00 H new ATOM 0 HE1 TRP A 21 2.659 2.156 -7.287 1.00 0.00 H new ATOM 0 HE3 TRP A 21 2.262 -0.827 -2.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 4.815 2.586 -5.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.385 0.172 -1.979 1.00 0.00 H new ATOM 0 HH2 TRP A 21 5.650 1.820 -3.246 1.00 0.00 H new ATOM 328 N ASP A 22 -2.126 0.842 -6.092 1.00 0.00 N ATOM 329 CA ASP A 22 -2.586 2.022 -6.805 1.00 0.00 C ATOM 330 C ASP A 22 -3.669 2.721 -5.980 1.00 0.00 C ATOM 331 O ASP A 22 -4.035 3.859 -6.268 1.00 0.00 O ATOM 332 CB ASP A 22 -3.192 1.646 -8.159 1.00 0.00 C ATOM 333 CG ASP A 22 -3.446 2.823 -9.102 1.00 0.00 C ATOM 334 OD1 ASP A 22 -3.536 3.957 -8.583 1.00 0.00 O ATOM 335 OD2 ASP A 22 -3.545 2.563 -10.321 1.00 0.00 O ATOM 0 H ASP A 22 -2.310 -0.042 -6.567 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.729 2.676 -6.963 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.526 0.940 -8.655 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.135 1.128 -7.987 1.00 0.00 H new ATOM 340 N THR A 23 -4.151 2.010 -4.971 1.00 0.00 N ATOM 341 CA THR A 23 -5.184 2.548 -4.103 1.00 0.00 C ATOM 342 C THR A 23 -4.578 3.526 -3.095 1.00 0.00 C ATOM 343 O THR A 23 -5.011 4.674 -3.001 1.00 0.00 O ATOM 344 CB THR A 23 -5.910 1.371 -3.447 1.00 0.00 C ATOM 345 OG1 THR A 23 -7.032 1.140 -4.294 1.00 0.00 O ATOM 346 CG2 THR A 23 -6.531 1.744 -2.099 1.00 0.00 C ATOM 0 H THR A 23 -3.845 1.066 -4.735 1.00 0.00 H new ATOM 0 HA THR A 23 -5.915 3.125 -4.669 1.00 0.00 H new ATOM 0 HB THR A 23 -5.212 0.545 -3.309 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.558 0.391 -3.943 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.034 0.874 -1.677 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.748 2.077 -1.418 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.254 2.547 -2.241 1.00 0.00 H new ATOM 354 N CYS A 24 -3.586 3.037 -2.367 1.00 0.00 N ATOM 355 CA CYS A 24 -2.915 3.854 -1.370 1.00 0.00 C ATOM 356 C CYS A 24 -1.813 4.654 -2.066 1.00 0.00 C ATOM 357 O CYS A 24 -1.809 5.883 -2.019 1.00 0.00 O ATOM 358 CB CYS A 24 -2.366 3.006 -0.220 1.00 0.00 C ATOM 359 SG CYS A 24 -0.623 3.346 0.219 1.00 0.00 S ATOM 0 H CYS A 24 -3.230 2.085 -2.447 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.630 4.541 -0.918 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.986 3.169 0.661 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.460 1.953 -0.486 1.00 0.00 H new ATOM 364 N SER A 25 -0.904 3.924 -2.696 1.00 0.00 N ATOM 365 CA SER A 25 0.201 4.550 -3.401 1.00 0.00 C ATOM 366 C SER A 25 -0.288 5.131 -4.730 1.00 0.00 C ATOM 367 O SER A 25 0.287 4.854 -5.781 1.00 0.00 O ATOM 368 CB SER A 25 1.336 3.553 -3.644 1.00 0.00 C ATOM 369 OG SER A 25 0.985 2.570 -4.614 1.00 0.00 O ATOM 0 H SER A 25 -0.911 2.905 -2.733 1.00 0.00 H new ATOM 0 HA SER A 25 0.589 5.357 -2.779 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.225 4.089 -3.977 1.00 0.00 H new ATOM 0 HB3 SER A 25 1.593 3.061 -2.706 1.00 0.00 H new ATOM 0 HG SER A 25 1.784 2.064 -4.871 1.00 0.00 H new ATOM 375 N GLY A 26 -1.344 5.926 -4.638 1.00 0.00 N ATOM 376 CA GLY A 26 -1.916 6.548 -5.820 1.00 0.00 C ATOM 377 C GLY A 26 -2.112 8.051 -5.608 1.00 0.00 C ATOM 378 O GLY A 26 -2.632 8.742 -6.483 1.00 0.00 O ATOM 0 H GLY A 26 -1.818 6.154 -3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.263 6.380 -6.676 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.873 6.082 -6.053 1.00 0.00 H new ATOM 382 N GLY A 27 -1.685 8.512 -4.442 1.00 0.00 N ATOM 383 CA GLY A 27 -1.807 9.920 -4.104 1.00 0.00 C ATOM 384 C GLY A 27 -3.086 10.184 -3.307 1.00 0.00 C ATOM 385 O GLY A 27 -3.125 11.084 -2.469 1.00 0.00 O ATOM 0 H GLY A 27 -1.254 7.936 -3.719 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.940 10.234 -3.522 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.813 10.517 -5.016 1.00 0.00 H new ATOM 389 N THR A 28 -4.101 9.383 -3.595 1.00 0.00 N ATOM 390 CA THR A 28 -5.378 9.518 -2.916 1.00 0.00 C ATOM 391 C THR A 28 -5.857 8.158 -2.405 1.00 0.00 C ATOM 392 O THR A 28 -5.094 7.195 -2.384 1.00 0.00 O ATOM 393 CB THR A 28 -6.360 10.184 -3.883 1.00 0.00 C ATOM 394 OG1 THR A 28 -6.344 9.339 -5.030 1.00 0.00 O ATOM 395 CG2 THR A 28 -5.848 11.529 -4.403 1.00 0.00 C ATOM 0 H THR A 28 -4.065 8.637 -4.290 1.00 0.00 H new ATOM 0 HA THR A 28 -5.291 10.150 -2.032 1.00 0.00 H new ATOM 0 HB THR A 28 -7.319 10.329 -3.385 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.955 9.696 -5.708 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.582 11.959 -5.085 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.691 12.207 -3.564 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.906 11.380 -4.931 1.00 0.00 H new ATOM 403 N GLY A 29 -7.120 8.124 -2.004 1.00 0.00 N ATOM 404 CA GLY A 29 -7.710 6.898 -1.494 1.00 0.00 C ATOM 405 C GLY A 29 -7.441 6.742 0.004 1.00 0.00 C ATOM 406 O GLY A 29 -7.694 7.660 0.783 1.00 0.00 O ATOM 0 H GLY A 29 -7.750 8.926 -2.022 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.785 6.905 -1.675 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.301 6.042 -2.032 1.00 0.00 H new ATOM 410 N ASN A 30 -6.931 5.572 0.362 1.00 0.00 N ATOM 411 CA ASN A 30 -6.625 5.284 1.753 1.00 0.00 C ATOM 412 C ASN A 30 -5.107 5.295 1.949 1.00 0.00 C ATOM 413 O ASN A 30 -4.583 4.576 2.798 1.00 0.00 O ATOM 414 CB ASN A 30 -7.144 3.903 2.156 1.00 0.00 C ATOM 415 CG ASN A 30 -6.953 2.893 1.023 1.00 0.00 C ATOM 416 OD1 ASN A 30 -5.852 2.470 0.711 1.00 0.00 O ATOM 417 ND2 ASN A 30 -8.085 2.530 0.425 1.00 0.00 N ATOM 0 H ASN A 30 -6.722 4.813 -0.287 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.106 6.044 2.369 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.619 3.559 3.047 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.201 3.969 2.415 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -8.064 1.860 -0.343 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -8.974 2.922 0.735 1.00 0.00 H new ATOM 424 N CYS A 31 -4.445 6.118 1.149 1.00 0.00 N ATOM 425 CA CYS A 31 -2.998 6.231 1.224 1.00 0.00 C ATOM 426 C CYS A 31 -2.617 6.569 2.667 1.00 0.00 C ATOM 427 O CYS A 31 -3.387 7.208 3.383 1.00 0.00 O ATOM 428 CB CYS A 31 -2.460 7.267 0.235 1.00 0.00 C ATOM 429 SG CYS A 31 -2.340 8.969 0.894 1.00 0.00 S ATOM 0 H CYS A 31 -4.884 6.713 0.446 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.541 5.283 0.941 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.471 6.951 -0.098 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.104 7.278 -0.644 1.00 0.00 H new ATOM 434 N GLY A 32 -1.429 6.125 3.051 1.00 0.00 N ATOM 435 CA GLY A 32 -0.937 6.372 4.395 1.00 0.00 C ATOM 436 C GLY A 32 0.107 5.328 4.798 1.00 0.00 C ATOM 437 O GLY A 32 0.553 4.539 3.966 1.00 0.00 O ATOM 0 H GLY A 32 -0.793 5.596 2.454 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.499 7.369 4.448 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.768 6.351 5.100 1.00 0.00 H new ATOM 441 N THR A 33 0.465 5.357 6.073 1.00 0.00 N ATOM 442 CA THR A 33 1.448 4.423 6.595 1.00 0.00 C ATOM 443 C THR A 33 0.774 3.109 6.996 1.00 0.00 C ATOM 444 O THR A 33 1.450 2.145 7.352 1.00 0.00 O ATOM 445 CB THR A 33 2.182 5.106 7.751 1.00 0.00 C ATOM 446 OG1 THR A 33 2.766 6.262 7.156 1.00 0.00 O ATOM 447 CG2 THR A 33 3.382 4.295 8.244 1.00 0.00 C ATOM 0 H THR A 33 0.092 6.012 6.760 1.00 0.00 H new ATOM 0 HA THR A 33 2.183 4.157 5.836 1.00 0.00 H new ATOM 0 HB THR A 33 1.489 5.266 8.577 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.261 6.765 7.836 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.867 4.824 9.064 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.043 3.319 8.592 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.092 4.163 7.428 1.00 0.00 H new ATOM 455 N VAL A 34 -0.548 3.113 6.923 1.00 0.00 N ATOM 456 CA VAL A 34 -1.321 1.933 7.274 1.00 0.00 C ATOM 457 C VAL A 34 -1.347 0.974 6.083 1.00 0.00 C ATOM 458 O VAL A 34 -1.355 -0.243 6.261 1.00 0.00 O ATOM 459 CB VAL A 34 -2.719 2.343 7.742 1.00 0.00 C ATOM 460 CG1 VAL A 34 -3.596 1.114 7.991 1.00 0.00 C ATOM 461 CG2 VAL A 34 -2.642 3.223 8.991 1.00 0.00 C ATOM 0 H VAL A 34 -1.105 3.915 6.626 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.856 1.405 8.107 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.181 2.929 6.947 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.584 1.433 8.323 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.690 0.541 7.068 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.139 0.491 8.760 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.649 3.501 9.303 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.152 2.673 9.794 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.070 4.124 8.767 1.00 0.00 H new ATOM 471 N CYS A 35 -1.360 1.558 4.893 1.00 0.00 N ATOM 472 CA CYS A 35 -1.385 0.770 3.673 1.00 0.00 C ATOM 473 C CYS A 35 -0.093 -0.047 3.601 1.00 0.00 C ATOM 474 O CYS A 35 -0.031 -1.058 2.904 1.00 0.00 O ATOM 475 CB CYS A 35 -1.573 1.649 2.435 1.00 0.00 C ATOM 476 SG CYS A 35 -0.256 1.494 1.175 1.00 0.00 S ATOM 0 H CYS A 35 -1.354 2.568 4.748 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.240 0.095 3.692 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.529 1.402 1.973 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.632 2.690 2.752 1.00 0.00 H new ATOM 481 N CYS A 36 0.908 0.423 4.332 1.00 0.00 N ATOM 482 CA CYS A 36 2.195 -0.250 4.360 1.00 0.00 C ATOM 483 C CYS A 36 1.964 -1.711 4.753 1.00 0.00 C ATOM 484 O CYS A 36 1.968 -2.596 3.898 1.00 0.00 O ATOM 485 CB CYS A 36 3.177 0.446 5.304 1.00 0.00 C ATOM 486 SG CYS A 36 3.489 2.209 4.923 1.00 0.00 S ATOM 0 H CYS A 36 0.853 1.262 4.909 1.00 0.00 H new ATOM 0 HA CYS A 36 2.652 -0.208 3.371 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.796 0.371 6.322 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.126 -0.090 5.279 1.00 0.00 H new ATOM 0 HG CYS A 36 4.660 2.333 4.372 1.00 0.00 H new ATOM 491 N GLY A 37 1.768 -1.918 6.047 1.00 0.00 N ATOM 492 CA GLY A 37 1.536 -3.257 6.563 1.00 0.00 C ATOM 493 C GLY A 37 0.055 -3.629 6.475 1.00 0.00 C ATOM 494 O GLY A 37 -0.533 -4.089 7.453 1.00 0.00 O ATOM 0 H GLY A 37 1.765 -1.182 6.753 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.129 -3.976 5.998 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.868 -3.314 7.600 1.00 0.00 H new ATOM 498 N GLN A 38 -0.507 -3.416 5.294 1.00 0.00 N ATOM 499 CA GLN A 38 -1.909 -3.724 5.066 1.00 0.00 C ATOM 500 C GLN A 38 -2.049 -4.760 3.949 1.00 0.00 C ATOM 501 O GLN A 38 -2.592 -5.842 4.166 1.00 0.00 O ATOM 502 CB GLN A 38 -2.702 -2.456 4.741 1.00 0.00 C ATOM 503 CG GLN A 38 -3.916 -2.318 5.663 1.00 0.00 C ATOM 504 CD GLN A 38 -3.485 -2.249 7.130 1.00 0.00 C ATOM 505 OE1 GLN A 38 -2.320 -2.370 7.468 1.00 0.00 O ATOM 506 NE2 GLN A 38 -4.489 -2.049 7.979 1.00 0.00 N ATOM 0 H GLN A 38 -0.017 -3.034 4.485 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.323 -4.147 5.981 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.058 -1.583 4.848 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.031 -2.485 3.702 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.475 -1.420 5.402 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.587 -3.165 5.517 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.442 -1.956 7.629 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.306 -1.988 8.981 1.00 0.00 H new ATOM 515 N CYS A 39 -1.552 -4.391 2.777 1.00 0.00 N ATOM 516 CA CYS A 39 -1.615 -5.276 1.626 1.00 0.00 C ATOM 517 C CYS A 39 -0.191 -5.709 1.274 1.00 0.00 C ATOM 518 O CYS A 39 0.003 -6.652 0.508 1.00 0.00 O ATOM 519 CB CYS A 39 -2.319 -4.611 0.441 1.00 0.00 C ATOM 520 SG CYS A 39 -4.015 -4.020 0.788 1.00 0.00 S ATOM 0 H CYS A 39 -1.104 -3.492 2.600 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.210 -6.156 1.872 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.717 -3.766 0.106 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.359 -5.321 -0.385 1.00 0.00 H new ATOM 525 N PHE A 40 0.769 -5.001 1.851 1.00 0.00 N ATOM 526 CA PHE A 40 2.169 -5.301 1.608 1.00 0.00 C ATOM 527 C PHE A 40 2.965 -5.303 2.915 1.00 0.00 C ATOM 528 O PHE A 40 2.429 -4.971 3.972 1.00 0.00 O ATOM 529 CB PHE A 40 2.712 -4.198 0.697 1.00 0.00 C ATOM 530 CG PHE A 40 1.670 -3.611 -0.258 1.00 0.00 C ATOM 531 CD1 PHE A 40 1.477 -4.170 -1.482 1.00 0.00 C ATOM 532 CD2 PHE A 40 0.936 -2.529 0.119 1.00 0.00 C ATOM 533 CE1 PHE A 40 0.510 -3.625 -2.368 1.00 0.00 C ATOM 534 CE2 PHE A 40 -0.031 -1.984 -0.767 1.00 0.00 C ATOM 535 CZ PHE A 40 -0.224 -2.544 -1.991 1.00 0.00 C ATOM 0 H PHE A 40 0.604 -4.220 2.486 1.00 0.00 H new ATOM 0 HA PHE A 40 2.264 -6.287 1.154 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.116 -3.396 1.315 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.541 -4.598 0.113 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.059 -5.029 -1.781 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.089 -2.085 1.092 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.358 -4.069 -3.341 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.613 -1.125 -0.469 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.960 -2.130 -2.664 1.00 0.00 H new ATOM 545 N SER A 41 4.229 -5.680 2.800 1.00 0.00 N ATOM 546 CA SER A 41 5.104 -5.730 3.960 1.00 0.00 C ATOM 547 C SER A 41 6.512 -5.273 3.574 1.00 0.00 C ATOM 548 O SER A 41 6.883 -5.317 2.402 1.00 0.00 O ATOM 549 CB SER A 41 5.148 -7.138 4.557 1.00 0.00 C ATOM 550 OG SER A 41 4.091 -7.357 5.487 1.00 0.00 O ATOM 0 H SER A 41 4.669 -5.954 1.922 1.00 0.00 H new ATOM 0 HA SER A 41 4.705 -5.056 4.718 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.084 -7.874 3.755 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.106 -7.291 5.054 1.00 0.00 H new ATOM 0 HG SER A 41 4.153 -8.267 5.844 1.00 0.00 H new ATOM 556 N PHE A 42 7.257 -4.844 4.582 1.00 0.00 N ATOM 557 CA PHE A 42 8.617 -4.380 4.362 1.00 0.00 C ATOM 558 C PHE A 42 9.448 -5.439 3.636 1.00 0.00 C ATOM 559 O PHE A 42 9.152 -6.630 3.720 1.00 0.00 O ATOM 560 CB PHE A 42 9.230 -4.124 5.740 1.00 0.00 C ATOM 561 CG PHE A 42 9.813 -2.719 5.911 1.00 0.00 C ATOM 562 CD1 PHE A 42 8.984 -1.656 6.088 1.00 0.00 C ATOM 563 CD2 PHE A 42 11.160 -2.535 5.885 1.00 0.00 C ATOM 564 CE1 PHE A 42 9.526 -0.353 6.246 1.00 0.00 C ATOM 565 CE2 PHE A 42 11.702 -1.232 6.043 1.00 0.00 C ATOM 566 CZ PHE A 42 10.873 -0.168 6.220 1.00 0.00 C ATOM 0 H PHE A 42 6.945 -4.808 5.553 1.00 0.00 H new ATOM 0 HA PHE A 42 8.608 -3.480 3.747 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.467 -4.285 6.501 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.017 -4.857 5.918 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.914 -1.802 6.108 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.818 -3.380 5.744 1.00 0.00 H new ATOM 0 HE1 PHE A 42 8.868 0.492 6.387 1.00 0.00 H new ATOM 0 HE2 PHE A 42 12.772 -1.086 6.023 1.00 0.00 H new ATOM 0 HZ PHE A 42 11.284 0.823 6.340 1.00 0.00 H new ATOM 576 N PRO A 43 10.498 -4.955 2.921 1.00 0.00 N ATOM 577 CA PRO A 43 10.779 -3.530 2.875 1.00 0.00 C ATOM 578 C PRO A 43 9.783 -2.805 1.968 1.00 0.00 C ATOM 579 O PRO A 43 9.933 -1.613 1.701 1.00 0.00 O ATOM 580 CB PRO A 43 12.213 -3.427 2.383 1.00 0.00 C ATOM 581 CG PRO A 43 12.528 -4.764 1.732 1.00 0.00 C ATOM 582 CD PRO A 43 11.444 -5.748 2.141 1.00 0.00 C ATOM 0 HA PRO A 43 10.670 -3.048 3.847 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.323 -2.610 1.670 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.895 -3.224 3.208 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.562 -4.662 0.647 1.00 0.00 H new ATOM 0 HG3 PRO A 43 13.508 -5.122 2.049 1.00 0.00 H new ATOM 0 HD2 PRO A 43 10.964 -6.193 1.269 1.00 0.00 H new ATOM 0 HD3 PRO A 43 11.855 -6.567 2.731 1.00 0.00 H new ATOM 590 N VAL A 44 8.787 -3.554 1.518 1.00 0.00 N ATOM 591 CA VAL A 44 7.766 -2.997 0.646 1.00 0.00 C ATOM 592 C VAL A 44 6.894 -2.027 1.445 1.00 0.00 C ATOM 593 O VAL A 44 6.482 -0.988 0.929 1.00 0.00 O ATOM 594 CB VAL A 44 6.963 -4.125 -0.006 1.00 0.00 C ATOM 595 CG1 VAL A 44 6.290 -3.644 -1.294 1.00 0.00 C ATOM 596 CG2 VAL A 44 7.847 -5.345 -0.272 1.00 0.00 C ATOM 0 H VAL A 44 8.665 -4.542 1.741 1.00 0.00 H new ATOM 0 HA VAL A 44 8.223 -2.431 -0.165 1.00 0.00 H new ATOM 0 HB VAL A 44 6.180 -4.425 0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.726 -4.464 -1.738 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.614 -2.820 -1.065 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.051 -3.305 -1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.252 -6.132 -0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.662 -5.065 -0.940 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.258 -5.709 0.670 1.00 0.00 H new ATOM 606 N SER A 45 6.637 -2.399 2.690 1.00 0.00 N ATOM 607 CA SER A 45 5.821 -1.575 3.565 1.00 0.00 C ATOM 608 C SER A 45 6.355 -0.142 3.582 1.00 0.00 C ATOM 609 O SER A 45 5.648 0.784 3.977 1.00 0.00 O ATOM 610 CB SER A 45 5.785 -2.145 4.984 1.00 0.00 C ATOM 611 OG SER A 45 5.863 -1.122 5.973 1.00 0.00 O ATOM 0 H SER A 45 6.980 -3.261 3.114 1.00 0.00 H new ATOM 0 HA SER A 45 4.802 -1.572 3.179 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.866 -2.714 5.123 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.614 -2.841 5.116 1.00 0.00 H new ATOM 0 HG SER A 45 5.146 -1.246 6.629 1.00 0.00 H new ATOM 617 N GLN A 46 7.600 -0.003 3.148 1.00 0.00 N ATOM 618 CA GLN A 46 8.237 1.302 3.109 1.00 0.00 C ATOM 619 C GLN A 46 7.926 2.005 1.786 1.00 0.00 C ATOM 620 O GLN A 46 7.876 3.233 1.728 1.00 0.00 O ATOM 621 CB GLN A 46 9.747 1.181 3.323 1.00 0.00 C ATOM 622 CG GLN A 46 10.453 2.502 3.009 1.00 0.00 C ATOM 623 CD GLN A 46 10.192 3.537 4.105 1.00 0.00 C ATOM 624 OE1 GLN A 46 10.416 3.304 5.281 1.00 0.00 O ATOM 625 NE2 GLN A 46 9.708 4.691 3.655 1.00 0.00 N ATOM 0 H GLN A 46 8.184 -0.773 2.821 1.00 0.00 H new ATOM 0 HA GLN A 46 7.835 1.906 3.922 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.950 0.892 4.354 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.146 0.391 2.687 1.00 0.00 H new ATOM 0 HG2 GLN A 46 11.525 2.331 2.913 1.00 0.00 H new ATOM 0 HG3 GLN A 46 10.104 2.886 2.050 1.00 0.00 H new ATOM 0 HE21 GLN A 46 9.543 4.820 2.657 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.501 5.447 4.308 1.00 0.00 H new ATOM 634 N SER A 47 7.725 1.197 0.756 1.00 0.00 N ATOM 635 CA SER A 47 7.420 1.726 -0.563 1.00 0.00 C ATOM 636 C SER A 47 6.008 2.316 -0.576 1.00 0.00 C ATOM 637 O SER A 47 5.771 3.353 -1.193 1.00 0.00 O ATOM 638 CB SER A 47 7.552 0.643 -1.635 1.00 0.00 C ATOM 639 OG SER A 47 7.737 1.198 -2.934 1.00 0.00 O ATOM 0 H SER A 47 7.767 0.179 0.808 1.00 0.00 H new ATOM 0 HA SER A 47 8.139 2.513 -0.790 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.395 -0.005 -1.394 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.659 0.018 -1.631 1.00 0.00 H new ATOM 0 HG SER A 47 7.818 0.475 -3.590 1.00 0.00 H new ATOM 645 N CYS A 48 5.108 1.630 0.112 1.00 0.00 N ATOM 646 CA CYS A 48 3.726 2.073 0.188 1.00 0.00 C ATOM 647 C CYS A 48 3.713 3.524 0.673 1.00 0.00 C ATOM 648 O CYS A 48 3.384 4.433 -0.087 1.00 0.00 O ATOM 649 CB CYS A 48 2.888 1.162 1.087 1.00 0.00 C ATOM 650 SG CYS A 48 1.502 1.995 1.944 1.00 0.00 S ATOM 0 H CYS A 48 5.309 0.770 0.622 1.00 0.00 H new ATOM 0 HA CYS A 48 3.269 2.017 -0.800 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.487 0.348 0.483 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.541 0.712 1.835 1.00 0.00 H new ATOM 655 N ALA A 49 4.074 3.695 1.936 1.00 0.00 N ATOM 656 CA ALA A 49 4.107 5.019 2.532 1.00 0.00 C ATOM 657 C ALA A 49 5.053 5.912 1.727 1.00 0.00 C ATOM 658 O ALA A 49 5.000 7.136 1.835 1.00 0.00 O ATOM 659 CB ALA A 49 4.520 4.908 4.001 1.00 0.00 C ATOM 0 H ALA A 49 4.346 2.938 2.563 1.00 0.00 H new ATOM 0 HA ALA A 49 3.118 5.477 2.505 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.545 5.902 4.448 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.801 4.287 4.535 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.509 4.456 4.068 1.00 0.00 H new ATOM 665 N GLY A 50 5.897 5.265 0.936 1.00 0.00 N ATOM 666 CA GLY A 50 6.853 5.985 0.113 1.00 0.00 C ATOM 667 C GLY A 50 6.171 6.594 -1.114 1.00 0.00 C ATOM 668 O GLY A 50 6.136 7.814 -1.268 1.00 0.00 O ATOM 0 H GLY A 50 5.938 4.250 0.848 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.323 6.773 0.701 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.646 5.309 -0.206 1.00 0.00 H new ATOM 672 N MET A 51 5.646 5.716 -1.956 1.00 0.00 N ATOM 673 CA MET A 51 4.968 6.152 -3.165 1.00 0.00 C ATOM 674 C MET A 51 3.590 6.733 -2.840 1.00 0.00 C ATOM 675 O MET A 51 2.884 7.201 -3.732 1.00 0.00 O ATOM 676 CB MET A 51 4.809 4.965 -4.117 1.00 0.00 C ATOM 677 CG MET A 51 4.267 5.419 -5.474 1.00 0.00 C ATOM 678 SD MET A 51 5.443 6.502 -6.269 1.00 0.00 S ATOM 679 CE MET A 51 6.220 5.347 -7.387 1.00 0.00 C ATOM 0 H MET A 51 5.676 4.705 -1.825 1.00 0.00 H new ATOM 0 HA MET A 51 5.569 6.930 -3.637 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.771 4.472 -4.252 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.133 4.231 -3.679 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.073 4.552 -6.106 1.00 0.00 H new ATOM 0 HG3 MET A 51 3.316 5.936 -5.341 1.00 0.00 H new ATOM 0 HE1 MET A 51 6.987 5.861 -7.966 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.677 4.539 -6.816 1.00 0.00 H new ATOM 0 HE3 MET A 51 5.471 4.934 -8.063 1.00 0.00 H new ATOM 689 N ALA A 52 3.249 6.686 -1.561 1.00 0.00 N ATOM 690 CA ALA A 52 1.969 7.202 -1.108 1.00 0.00 C ATOM 691 C ALA A 52 2.067 8.720 -0.939 1.00 0.00 C ATOM 692 O ALA A 52 1.692 9.258 0.101 1.00 0.00 O ATOM 693 CB ALA A 52 1.563 6.497 0.188 1.00 0.00 C ATOM 0 H ALA A 52 3.837 6.298 -0.824 1.00 0.00 H new ATOM 0 HA ALA A 52 1.192 7.001 -1.846 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.602 6.885 0.528 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.479 5.425 0.008 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.318 6.678 0.953 1.00 0.00 H new ATOM 699 N ASP A 53 2.573 9.367 -1.979 1.00 0.00 N ATOM 700 CA ASP A 53 2.726 10.812 -1.959 1.00 0.00 C ATOM 701 C ASP A 53 3.488 11.223 -0.698 1.00 0.00 C ATOM 702 O ASP A 53 3.804 10.382 0.143 1.00 0.00 O ATOM 703 CB ASP A 53 1.364 11.509 -1.936 1.00 0.00 C ATOM 704 CG ASP A 53 1.055 12.366 -3.165 1.00 0.00 C ATOM 705 OD1 ASP A 53 1.959 12.477 -4.021 1.00 0.00 O ATOM 706 OD2 ASP A 53 -0.078 12.890 -3.221 1.00 0.00 O ATOM 0 H ASP A 53 2.882 8.917 -2.841 1.00 0.00 H new ATOM 0 HA ASP A 53 3.267 11.106 -2.858 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.587 10.751 -1.835 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.311 12.140 -1.049 1.00 0.00 H new ATOM 711 N SER A 54 3.763 12.515 -0.605 1.00 0.00 N ATOM 712 CA SER A 54 4.483 13.048 0.539 1.00 0.00 C ATOM 713 C SER A 54 3.559 13.941 1.369 1.00 0.00 C ATOM 714 O SER A 54 3.122 13.553 2.452 1.00 0.00 O ATOM 715 CB SER A 54 5.720 13.831 0.096 1.00 0.00 C ATOM 716 OG SER A 54 6.926 13.124 0.370 1.00 0.00 O ATOM 0 H SER A 54 3.500 13.210 -1.304 1.00 0.00 H new ATOM 0 HA SER A 54 4.817 12.211 1.153 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.655 14.037 -0.972 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.741 14.794 0.605 1.00 0.00 H new ATOM 0 HG SER A 54 7.692 13.656 0.071 1.00 0.00 H new ATOM 722 N ASN A 55 3.288 15.121 0.830 1.00 0.00 N ATOM 723 CA ASN A 55 2.423 16.072 1.508 1.00 0.00 C ATOM 724 C ASN A 55 1.181 16.325 0.652 1.00 0.00 C ATOM 725 O ASN A 55 0.246 16.993 1.091 1.00 0.00 O ATOM 726 CB ASN A 55 3.134 17.411 1.717 1.00 0.00 C ATOM 727 CG ASN A 55 2.839 17.978 3.107 1.00 0.00 C ATOM 728 OD1 ASN A 55 1.908 17.575 3.785 1.00 0.00 O ATOM 729 ND2 ASN A 55 3.681 18.933 3.491 1.00 0.00 N ATOM 0 H ASN A 55 3.652 15.440 -0.068 1.00 0.00 H new ATOM 0 HA ASN A 55 2.153 15.652 2.477 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.209 17.279 1.595 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.812 18.121 0.955 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.568 19.376 4.403 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.439 19.223 2.874 1.00 0.00 H new ATOM 736 N ASP A 56 1.211 15.778 -0.554 1.00 0.00 N ATOM 737 CA ASP A 56 0.098 15.936 -1.475 1.00 0.00 C ATOM 738 C ASP A 56 -1.063 15.048 -1.023 1.00 0.00 C ATOM 739 O ASP A 56 -2.227 15.396 -1.217 1.00 0.00 O ATOM 740 CB ASP A 56 0.492 15.513 -2.892 1.00 0.00 C ATOM 741 CG ASP A 56 1.022 16.640 -3.780 1.00 0.00 C ATOM 742 OD1 ASP A 56 2.250 16.869 -3.734 1.00 0.00 O ATOM 743 OD2 ASP A 56 0.187 17.248 -4.484 1.00 0.00 O ATOM 0 H ASP A 56 1.988 15.225 -0.915 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.190 16.987 -1.479 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.253 14.736 -2.824 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.377 15.067 -3.377 1.00 0.00 H new ATOM 748 N CYS A 57 -0.707 13.919 -0.428 1.00 0.00 N ATOM 749 CA CYS A 57 -1.705 12.980 0.054 1.00 0.00 C ATOM 750 C CYS A 57 -2.537 13.675 1.133 1.00 0.00 C ATOM 751 O CYS A 57 -2.081 14.634 1.753 1.00 0.00 O ATOM 752 CB CYS A 57 -1.065 11.689 0.570 1.00 0.00 C ATOM 753 SG CYS A 57 -1.488 10.188 -0.386 1.00 0.00 S ATOM 0 H CYS A 57 0.259 13.633 -0.269 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.355 12.682 -0.769 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.018 11.811 0.568 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.367 11.540 1.607 1.00 0.00 H new ATOM 758 N PRO A 58 -3.776 13.150 1.331 1.00 0.00 N ATOM 759 CA PRO A 58 -4.677 13.709 2.324 1.00 0.00 C ATOM 760 C PRO A 58 -4.246 13.314 3.738 1.00 0.00 C ATOM 761 O PRO A 58 -5.022 12.718 4.483 1.00 0.00 O ATOM 762 CB PRO A 58 -6.052 13.179 1.952 1.00 0.00 C ATOM 763 CG PRO A 58 -5.806 11.979 1.052 1.00 0.00 C ATOM 764 CD PRO A 58 -4.351 12.014 0.615 1.00 0.00 C ATOM 0 HA PRO A 58 -4.674 14.799 2.329 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -6.614 12.892 2.841 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.638 13.940 1.437 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.023 11.052 1.584 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.466 12.011 0.185 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -3.839 11.086 0.869 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.265 12.141 -0.464 1.00 0.00 H new ATOM 772 N ASN A 59 -3.011 13.662 4.065 1.00 0.00 N ATOM 773 CA ASN A 59 -2.468 13.351 5.377 1.00 0.00 C ATOM 774 C ASN A 59 -2.943 14.402 6.383 1.00 0.00 C ATOM 775 O ASN A 59 -3.537 15.408 6.000 1.00 0.00 O ATOM 776 CB ASN A 59 -0.938 13.372 5.359 1.00 0.00 C ATOM 777 CG ASN A 59 -0.381 12.115 4.686 1.00 0.00 C ATOM 778 OD1 ASN A 59 -1.047 11.447 3.913 1.00 0.00 O ATOM 779 ND2 ASN A 59 0.874 11.833 5.023 1.00 0.00 N ATOM 0 H ASN A 59 -2.370 14.156 3.444 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.812 12.355 5.657 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.589 14.258 4.829 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.559 13.441 6.379 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.337 11.014 4.628 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.374 12.435 5.677 1.00 0.00 H new ATOM 786 N ALA A 60 -2.662 14.132 7.649 1.00 0.00 N ATOM 787 CA ALA A 60 -3.053 15.041 8.713 1.00 0.00 C ATOM 788 C ALA A 60 -4.558 15.300 8.629 1.00 0.00 C ATOM 789 O ALA A 60 -5.012 16.079 7.791 1.00 0.00 O ATOM 790 CB ALA A 60 -2.233 16.329 8.611 1.00 0.00 C ATOM 0 H ALA A 60 -2.168 13.296 7.962 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.848 14.601 9.689 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.526 17.011 9.409 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.173 16.094 8.706 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.415 16.801 7.645 1.00 0.00 H new TER 796 ALA A 60