USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 483 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 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot -100:sc= -0.127 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -168:sc= -0.708 (180deg=-1.13) USER MOD Single : A 18 LYS NZ :NH3+ 167:sc= 1.18 (180deg=1.1) USER MOD Single : A 21 ASN : amide:sc= -0.623 K(o=-0.62,f=-9.9!) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -89:sc= 2.18 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.28) USER MOD Single : A 40 HIS : no HD1:sc= -0.0598 X(o=-0.06,f=-0.0068) USER MOD Single : A 52 GLN : amide:sc= 0.321 K(o=0.32,f=-5.6!) USER MOD Single : A 53 HIS : no HD1:sc= -0.128 K(o=-0.13,f=-1.2) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0.0036) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.878 K(o=-0.88,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -0.577 0.073 -21.812 1.00 24.34 N ATOM 2 CA SER A 1 -0.125 0.790 -20.587 1.00 11.51 C ATOM 3 C SER A 1 0.831 1.939 -20.931 1.00 62.24 C ATOM 4 O SER A 1 2.015 1.719 -21.189 1.00 43.21 O ATOM 5 CB SER A 1 0.567 -0.182 -19.618 1.00 51.34 C ATOM 6 OG SER A 1 -0.310 -1.226 -19.226 1.00 64.05 O ATOM 0 H1 SER A 1 -1.222 -0.698 -21.545 1.00 24.34 H new ATOM 0 H2 SER A 1 -1.073 0.737 -22.440 1.00 24.34 H new ATOM 0 H3 SER A 1 0.248 -0.322 -22.307 1.00 24.34 H new ATOM 0 HA SER A 1 -1.010 1.209 -20.109 1.00 11.51 H new ATOM 0 HB2 SER A 1 1.452 -0.606 -20.094 1.00 51.34 H new ATOM 0 HB3 SER A 1 0.908 0.360 -18.736 1.00 51.34 H new ATOM 0 HG SER A 1 0.156 -1.831 -18.611 1.00 64.05 H new ATOM 14 N ASP A 2 0.305 3.161 -20.968 1.00 11.32 N ATOM 15 CA ASP A 2 1.130 4.357 -21.186 1.00 75.05 C ATOM 16 C ASP A 2 1.493 5.020 -19.846 1.00 71.52 C ATOM 17 O ASP A 2 0.810 4.825 -18.839 1.00 64.55 O ATOM 18 CB ASP A 2 0.405 5.343 -22.111 1.00 25.40 C ATOM 19 CG ASP A 2 -0.990 5.686 -21.623 1.00 40.11 C ATOM 20 OD1 ASP A 2 -1.874 4.805 -21.674 1.00 64.25 O ATOM 21 OD2 ASP A 2 -1.211 6.832 -21.185 1.00 23.53 O ATOM 0 H ASP A 2 -0.690 3.354 -20.850 1.00 11.32 H new ATOM 0 HA ASP A 2 2.059 4.055 -21.670 1.00 75.05 H new ATOM 0 HB2 ASP A 2 0.992 6.258 -22.192 1.00 25.40 H new ATOM 0 HB3 ASP A 2 0.341 4.916 -23.112 1.00 25.40 H new ATOM 26 N VAL A 3 2.563 5.807 -19.837 1.00 61.51 N ATOM 27 CA VAL A 3 3.115 6.348 -18.588 1.00 24.24 C ATOM 28 C VAL A 3 2.633 7.781 -18.304 1.00 50.12 C ATOM 29 O VAL A 3 2.684 8.648 -19.175 1.00 24.35 O ATOM 30 CB VAL A 3 4.663 6.334 -18.631 1.00 50.22 C ATOM 31 CG1 VAL A 3 5.249 6.708 -17.272 1.00 0.41 C ATOM 32 CG2 VAL A 3 5.174 4.970 -19.095 1.00 1.14 C ATOM 0 H VAL A 3 3.069 6.088 -20.677 1.00 61.51 H new ATOM 0 HA VAL A 3 2.755 5.706 -17.784 1.00 24.24 H new ATOM 0 HB VAL A 3 4.993 7.082 -19.352 1.00 50.22 H new ATOM 0 HG11 VAL A 3 6.337 6.691 -17.328 1.00 0.41 H new ATOM 0 HG12 VAL A 3 4.915 7.708 -16.995 1.00 0.41 H new ATOM 0 HG13 VAL A 3 4.913 5.992 -16.522 1.00 0.41 H new ATOM 0 HG21 VAL A 3 6.264 4.979 -19.119 1.00 1.14 H new ATOM 0 HG22 VAL A 3 4.832 4.199 -18.404 1.00 1.14 H new ATOM 0 HG23 VAL A 3 4.791 4.758 -20.093 1.00 1.14 H new ATOM 42 N ASN A 4 2.169 8.027 -17.078 1.00 45.35 N ATOM 43 CA ASN A 4 1.774 9.378 -16.653 1.00 4.21 C ATOM 44 C ASN A 4 2.892 10.033 -15.823 1.00 31.22 C ATOM 45 O ASN A 4 3.434 9.412 -14.907 1.00 65.14 O ATOM 46 CB ASN A 4 0.485 9.324 -15.832 1.00 1.21 C ATOM 47 CG ASN A 4 -0.654 8.669 -16.588 1.00 63.50 C ATOM 48 OD1 ASN A 4 -0.842 7.460 -16.524 1.00 31.42 O ATOM 49 ND2 ASN A 4 -1.412 9.451 -17.335 1.00 34.12 N ATOM 0 H ASN A 4 2.056 7.312 -16.360 1.00 45.35 H new ATOM 0 HA ASN A 4 1.601 9.978 -17.547 1.00 4.21 H new ATOM 0 HB2 ASN A 4 0.668 8.774 -14.909 1.00 1.21 H new ATOM 0 HB3 ASN A 4 0.195 10.336 -15.549 1.00 1.21 H new ATOM 0 HD21 ASN A 4 -2.177 9.052 -17.878 1.00 34.12 H new ATOM 0 HD22 ASN A 4 -1.232 10.454 -17.369 1.00 34.12 H new ATOM 56 N GLU A 5 3.238 11.278 -16.144 1.00 52.34 N ATOM 57 CA GLU A 5 4.300 11.997 -15.419 1.00 22.35 C ATOM 58 C GLU A 5 3.873 12.361 -13.980 1.00 61.52 C ATOM 59 O GLU A 5 2.737 12.116 -13.574 1.00 10.45 O ATOM 60 CB GLU A 5 4.711 13.252 -16.198 1.00 73.32 C ATOM 61 CG GLU A 5 5.111 12.971 -17.642 1.00 51.21 C ATOM 62 CD GLU A 5 5.647 14.203 -18.353 1.00 33.15 C ATOM 63 OE1 GLU A 5 6.873 14.439 -18.301 1.00 13.32 O ATOM 64 OE2 GLU A 5 4.847 14.942 -18.966 1.00 2.04 O ATOM 0 H GLU A 5 2.805 11.813 -16.896 1.00 52.34 H new ATOM 0 HA GLU A 5 5.159 11.330 -15.338 1.00 22.35 H new ATOM 0 HB2 GLU A 5 3.883 13.961 -16.191 1.00 73.32 H new ATOM 0 HB3 GLU A 5 5.545 13.731 -15.685 1.00 73.32 H new ATOM 0 HG2 GLU A 5 5.869 12.188 -17.659 1.00 51.21 H new ATOM 0 HG3 GLU A 5 4.247 12.590 -18.186 1.00 51.21 H new ATOM 71 N CYS A 6 4.783 12.974 -13.220 1.00 34.02 N ATOM 72 CA CYS A 6 4.582 13.184 -11.774 1.00 63.32 C ATOM 73 C CYS A 6 3.589 14.313 -11.455 1.00 4.42 C ATOM 74 O CYS A 6 3.235 14.522 -10.292 1.00 61.22 O ATOM 75 CB CYS A 6 5.923 13.468 -11.095 1.00 62.15 C ATOM 76 SG CYS A 6 7.133 12.119 -11.281 1.00 44.21 S ATOM 0 H CYS A 6 5.668 13.336 -13.576 1.00 34.02 H new ATOM 0 HA CYS A 6 4.148 12.263 -11.385 1.00 63.32 H new ATOM 0 HB2 CYS A 6 6.345 14.383 -11.510 1.00 62.15 H new ATOM 0 HB3 CYS A 6 5.753 13.649 -10.034 1.00 62.15 H new ATOM 81 N LEU A 7 3.135 15.038 -12.473 1.00 21.21 N ATOM 82 CA LEU A 7 2.097 16.067 -12.287 1.00 53.32 C ATOM 83 C LEU A 7 0.682 15.441 -12.259 1.00 61.41 C ATOM 84 O LEU A 7 -0.321 16.110 -12.530 1.00 5.11 O ATOM 85 CB LEU A 7 2.199 17.150 -13.383 1.00 73.04 C ATOM 86 CG LEU A 7 1.669 16.787 -14.788 1.00 13.21 C ATOM 87 CD1 LEU A 7 1.826 17.971 -15.740 1.00 1.42 C ATOM 88 CD2 LEU A 7 2.367 15.557 -15.354 1.00 52.22 C ATOM 0 H LEU A 7 3.463 14.939 -13.434 1.00 21.21 H new ATOM 0 HA LEU A 7 2.267 16.542 -11.321 1.00 53.32 H new ATOM 0 HB2 LEU A 7 1.661 18.032 -13.037 1.00 73.04 H new ATOM 0 HB3 LEU A 7 3.247 17.434 -13.481 1.00 73.04 H new ATOM 0 HG LEU A 7 0.610 16.550 -14.688 1.00 13.21 H new ATOM 0 HD11 LEU A 7 1.448 17.698 -16.725 1.00 1.42 H new ATOM 0 HD12 LEU A 7 1.263 18.822 -15.358 1.00 1.42 H new ATOM 0 HD13 LEU A 7 2.880 18.239 -15.817 1.00 1.42 H new ATOM 0 HD21 LEU A 7 1.966 15.334 -16.343 1.00 52.22 H new ATOM 0 HD22 LEU A 7 3.437 15.749 -15.431 1.00 52.22 H new ATOM 0 HD23 LEU A 7 2.197 14.706 -14.694 1.00 52.22 H new ATOM 100 N THR A 8 0.616 14.158 -11.900 1.00 51.04 N ATOM 101 CA THR A 8 -0.652 13.415 -11.827 1.00 73.23 C ATOM 102 C THR A 8 -1.382 13.649 -10.490 1.00 43.25 C ATOM 103 O THR A 8 -0.871 14.328 -9.598 1.00 75.44 O ATOM 104 CB THR A 8 -0.418 11.897 -12.017 1.00 64.23 C ATOM 105 OG1 THR A 8 -1.670 11.194 -11.973 1.00 13.32 O ATOM 106 CG2 THR A 8 0.529 11.344 -10.946 1.00 45.23 C ATOM 0 H THR A 8 1.435 13.602 -11.652 1.00 51.04 H new ATOM 0 HA THR A 8 -1.279 13.792 -12.635 1.00 73.23 H new ATOM 0 HB THR A 8 0.045 11.747 -12.992 1.00 64.23 H new ATOM 0 HG1 THR A 8 -1.790 10.794 -11.086 1.00 13.32 H new ATOM 0 HG21 THR A 8 0.674 10.276 -11.105 1.00 45.23 H new ATOM 0 HG22 THR A 8 1.490 11.855 -11.011 1.00 45.23 H new ATOM 0 HG23 THR A 8 0.097 11.508 -9.959 1.00 45.23 H new ATOM 114 N ILE A 9 -2.573 13.068 -10.355 1.00 32.21 N ATOM 115 CA ILE A 9 -3.400 13.245 -9.156 1.00 2.33 C ATOM 116 C ILE A 9 -2.899 12.378 -7.985 1.00 64.12 C ATOM 117 O ILE A 9 -2.720 11.166 -8.128 1.00 14.24 O ATOM 118 CB ILE A 9 -4.886 12.907 -9.453 1.00 0.23 C ATOM 119 CG1 ILE A 9 -5.444 13.849 -10.534 1.00 3.44 C ATOM 120 CG2 ILE A 9 -5.739 12.975 -8.183 1.00 53.42 C ATOM 121 CD1 ILE A 9 -5.394 15.315 -10.155 1.00 53.53 C ATOM 0 H ILE A 9 -2.991 12.466 -11.064 1.00 32.21 H new ATOM 0 HA ILE A 9 -3.321 14.293 -8.867 1.00 2.33 H new ATOM 0 HB ILE A 9 -4.930 11.883 -9.825 1.00 0.23 H new ATOM 0 HG12 ILE A 9 -4.881 13.703 -11.456 1.00 3.44 H new ATOM 0 HG13 ILE A 9 -6.477 13.573 -10.744 1.00 3.44 H new ATOM 0 HG21 ILE A 9 -6.774 12.733 -8.426 1.00 53.42 H new ATOM 0 HG22 ILE A 9 -5.361 12.260 -7.452 1.00 53.42 H new ATOM 0 HG23 ILE A 9 -5.690 13.981 -7.765 1.00 53.42 H new ATOM 0 HD11 ILE A 9 -5.804 15.915 -10.967 1.00 53.53 H new ATOM 0 HD12 ILE A 9 -5.981 15.477 -9.251 1.00 53.53 H new ATOM 0 HD13 ILE A 9 -4.360 15.609 -9.974 1.00 53.53 H new ATOM 133 N PRO A 10 -2.670 12.989 -6.803 1.00 32.52 N ATOM 134 CA PRO A 10 -2.193 12.257 -5.618 1.00 30.53 C ATOM 135 C PRO A 10 -3.223 11.247 -5.073 1.00 40.42 C ATOM 136 O PRO A 10 -4.042 11.574 -4.207 1.00 62.43 O ATOM 137 CB PRO A 10 -1.920 13.370 -4.594 1.00 54.15 C ATOM 138 CG PRO A 10 -2.795 14.501 -5.021 1.00 54.14 C ATOM 139 CD PRO A 10 -2.850 14.430 -6.525 1.00 72.24 C ATOM 0 HA PRO A 10 -1.318 11.649 -5.849 1.00 30.53 H new ATOM 0 HB2 PRO A 10 -2.160 13.044 -3.582 1.00 54.15 H new ATOM 0 HB3 PRO A 10 -0.869 13.660 -4.595 1.00 54.15 H new ATOM 0 HG2 PRO A 10 -3.791 14.410 -4.588 1.00 54.14 H new ATOM 0 HG3 PRO A 10 -2.389 15.457 -4.689 1.00 54.14 H new ATOM 0 HD2 PRO A 10 -3.800 14.799 -6.911 1.00 72.24 H new ATOM 0 HD3 PRO A 10 -2.065 15.030 -6.985 1.00 72.24 H new ATOM 147 N GLU A 11 -3.187 10.025 -5.613 1.00 34.42 N ATOM 148 CA GLU A 11 -4.041 8.922 -5.136 1.00 54.33 C ATOM 149 C GLU A 11 -3.367 8.131 -3.999 1.00 72.31 C ATOM 150 O GLU A 11 -3.858 7.083 -3.591 1.00 24.50 O ATOM 151 CB GLU A 11 -4.397 7.966 -6.288 1.00 24.22 C ATOM 152 CG GLU A 11 -5.223 8.605 -7.402 1.00 64.14 C ATOM 153 CD GLU A 11 -5.685 7.591 -8.438 1.00 41.33 C ATOM 154 OE1 GLU A 11 -4.892 7.240 -9.336 1.00 4.43 O ATOM 155 OE2 GLU A 11 -6.843 7.131 -8.355 1.00 31.14 O ATOM 0 H GLU A 11 -2.573 9.769 -6.386 1.00 34.42 H new ATOM 0 HA GLU A 11 -4.955 9.372 -4.747 1.00 54.33 H new ATOM 0 HB2 GLU A 11 -3.475 7.572 -6.716 1.00 24.22 H new ATOM 0 HB3 GLU A 11 -4.949 7.118 -5.883 1.00 24.22 H new ATOM 0 HG2 GLU A 11 -6.093 9.099 -6.968 1.00 64.14 H new ATOM 0 HG3 GLU A 11 -4.630 9.377 -7.893 1.00 64.14 H new ATOM 162 N ALA A 12 -2.218 8.615 -3.525 1.00 1.50 N ATOM 163 CA ALA A 12 -1.474 7.951 -2.442 1.00 51.12 C ATOM 164 C ALA A 12 -1.300 8.872 -1.222 1.00 71.54 C ATOM 165 O ALA A 12 -1.581 10.070 -1.286 1.00 40.43 O ATOM 166 CB ALA A 12 -0.112 7.485 -2.955 1.00 11.24 C ATOM 0 H ALA A 12 -1.777 9.467 -3.872 1.00 1.50 H new ATOM 0 HA ALA A 12 -2.053 7.086 -2.119 1.00 51.12 H new ATOM 0 HB1 ALA A 12 0.432 6.995 -2.148 1.00 11.24 H new ATOM 0 HB2 ALA A 12 -0.253 6.783 -3.776 1.00 11.24 H new ATOM 0 HB3 ALA A 12 0.458 8.345 -3.307 1.00 11.24 H new ATOM 172 N CYS A 13 -0.815 8.307 -0.114 1.00 55.42 N ATOM 173 CA CYS A 13 -0.572 9.076 1.116 1.00 2.13 C ATOM 174 C CYS A 13 0.907 9.448 1.248 1.00 11.34 C ATOM 175 O CYS A 13 1.791 8.669 0.903 1.00 20.35 O ATOM 176 CB CYS A 13 -1.019 8.286 2.359 1.00 0.23 C ATOM 177 SG CYS A 13 -2.829 8.218 2.593 1.00 21.12 S ATOM 0 H CYS A 13 -0.581 7.317 -0.040 1.00 55.42 H new ATOM 0 HA CYS A 13 -1.161 9.991 1.050 1.00 2.13 H new ATOM 0 HB2 CYS A 13 -0.635 7.268 2.286 1.00 0.23 H new ATOM 0 HB3 CYS A 13 -0.566 8.735 3.243 1.00 0.23 H new ATOM 182 N LYS A 14 1.164 10.651 1.748 1.00 14.30 N ATOM 183 CA LYS A 14 2.527 11.168 1.873 1.00 1.21 C ATOM 184 C LYS A 14 3.260 10.550 3.077 1.00 63.41 C ATOM 185 O LYS A 14 2.839 10.714 4.225 1.00 62.34 O ATOM 186 CB LYS A 14 2.479 12.697 2.003 1.00 25.23 C ATOM 187 CG LYS A 14 3.847 13.365 2.035 1.00 53.01 C ATOM 188 CD LYS A 14 3.722 14.882 2.056 1.00 71.55 C ATOM 189 CE LYS A 14 5.080 15.568 2.007 1.00 75.44 C ATOM 190 NZ LYS A 14 4.942 17.045 1.925 1.00 11.24 N ATOM 0 H LYS A 14 0.442 11.293 2.076 1.00 14.30 H new ATOM 0 HA LYS A 14 3.084 10.892 0.978 1.00 1.21 H new ATOM 0 HB2 LYS A 14 1.908 13.103 1.168 1.00 25.23 H new ATOM 0 HB3 LYS A 14 1.939 12.956 2.914 1.00 25.23 H new ATOM 0 HG2 LYS A 14 4.396 13.031 2.915 1.00 53.01 H new ATOM 0 HG3 LYS A 14 4.425 13.058 1.163 1.00 53.01 H new ATOM 0 HD2 LYS A 14 3.121 15.208 1.207 1.00 71.55 H new ATOM 0 HD3 LYS A 14 3.193 15.190 2.958 1.00 71.55 H new ATOM 0 HE2 LYS A 14 5.654 15.304 2.895 1.00 75.44 H new ATOM 0 HE3 LYS A 14 5.641 15.206 1.145 1.00 75.44 H new ATOM 0 HZ1 LYS A 14 5.886 17.481 1.893 1.00 11.24 H new ATOM 0 HZ2 LYS A 14 4.415 17.297 1.065 1.00 11.24 H new ATOM 0 HZ3 LYS A 14 4.428 17.393 2.760 1.00 11.24 H new ATOM 204 N GLY A 15 4.359 9.844 2.812 1.00 31.34 N ATOM 205 CA GLY A 15 5.119 9.191 3.878 1.00 10.43 C ATOM 206 C GLY A 15 4.551 7.825 4.273 1.00 53.41 C ATOM 207 O GLY A 15 5.301 6.891 4.565 1.00 63.22 O ATOM 0 H GLY A 15 4.741 9.710 1.876 1.00 31.34 H new ATOM 0 HA2 GLY A 15 6.153 9.068 3.556 1.00 10.43 H new ATOM 0 HA3 GLY A 15 5.133 9.839 4.755 1.00 10.43 H new ATOM 211 N GLU A 16 3.224 7.710 4.263 1.00 54.12 N ATOM 212 CA GLU A 16 2.529 6.478 4.664 1.00 73.13 C ATOM 213 C GLU A 16 2.345 5.529 3.469 1.00 63.14 C ATOM 214 O GLU A 16 2.439 5.948 2.315 1.00 44.42 O ATOM 215 CB GLU A 16 1.163 6.830 5.269 1.00 3.11 C ATOM 216 CG GLU A 16 1.250 7.843 6.406 1.00 11.32 C ATOM 217 CD GLU A 16 -0.109 8.226 6.975 1.00 61.45 C ATOM 218 OE1 GLU A 16 -0.746 9.150 6.426 1.00 52.22 O ATOM 219 OE2 GLU A 16 -0.534 7.623 7.984 1.00 60.43 O ATOM 0 H GLU A 16 2.598 8.463 3.978 1.00 54.12 H new ATOM 0 HA GLU A 16 3.139 5.967 5.409 1.00 73.13 H new ATOM 0 HB2 GLU A 16 0.518 7.228 4.486 1.00 3.11 H new ATOM 0 HB3 GLU A 16 0.691 5.919 5.638 1.00 3.11 H new ATOM 0 HG2 GLU A 16 1.868 7.431 7.204 1.00 11.32 H new ATOM 0 HG3 GLU A 16 1.752 8.741 6.046 1.00 11.32 H new ATOM 226 N MET A 17 2.068 4.253 3.743 1.00 51.03 N ATOM 227 CA MET A 17 1.979 3.246 2.676 1.00 73.11 C ATOM 228 C MET A 17 0.556 3.140 2.111 1.00 34.12 C ATOM 229 O MET A 17 -0.430 3.122 2.853 1.00 1.04 O ATOM 230 CB MET A 17 2.416 1.867 3.186 1.00 13.22 C ATOM 231 CG MET A 17 3.810 1.830 3.799 1.00 50.02 C ATOM 232 SD MET A 17 4.365 0.139 4.112 1.00 24.10 S ATOM 233 CE MET A 17 2.929 -0.542 4.941 1.00 61.13 C ATOM 0 H MET A 17 1.903 3.892 4.682 1.00 51.03 H new ATOM 0 HA MET A 17 2.649 3.572 1.881 1.00 73.11 H new ATOM 0 HB2 MET A 17 1.697 1.525 3.930 1.00 13.22 H new ATOM 0 HB3 MET A 17 2.379 1.159 2.358 1.00 13.22 H new ATOM 0 HG2 MET A 17 4.514 2.325 3.130 1.00 50.02 H new ATOM 0 HG3 MET A 17 3.810 2.391 4.734 1.00 50.02 H new ATOM 0 HE1 MET A 17 3.187 -1.503 5.385 1.00 61.13 H new ATOM 0 HE2 MET A 17 2.601 0.143 5.723 1.00 61.13 H new ATOM 0 HE3 MET A 17 2.124 -0.681 4.219 1.00 61.13 H new ATOM 243 N LYS A 18 0.464 3.054 0.788 1.00 14.35 N ATOM 244 CA LYS A 18 -0.819 2.952 0.092 1.00 21.31 C ATOM 245 C LYS A 18 -1.231 1.485 -0.123 1.00 63.13 C ATOM 246 O LYS A 18 -0.681 0.785 -0.978 1.00 43.21 O ATOM 247 CB LYS A 18 -0.730 3.685 -1.255 1.00 33.12 C ATOM 248 CG LYS A 18 -1.980 3.564 -2.123 1.00 13.34 C ATOM 249 CD LYS A 18 -1.790 4.261 -3.467 1.00 33.31 C ATOM 250 CE LYS A 18 -2.939 3.989 -4.430 1.00 74.30 C ATOM 251 NZ LYS A 18 -2.647 4.518 -5.789 1.00 45.41 N ATOM 0 H LYS A 18 1.273 3.053 0.167 1.00 14.35 H new ATOM 0 HA LYS A 18 -1.584 3.418 0.713 1.00 21.31 H new ATOM 0 HB2 LYS A 18 -0.533 4.741 -1.068 1.00 33.12 H new ATOM 0 HB3 LYS A 18 0.123 3.295 -1.811 1.00 33.12 H new ATOM 0 HG2 LYS A 18 -2.212 2.512 -2.286 1.00 13.34 H new ATOM 0 HG3 LYS A 18 -2.832 4.001 -1.601 1.00 13.34 H new ATOM 0 HD2 LYS A 18 -1.701 5.335 -3.307 1.00 33.31 H new ATOM 0 HD3 LYS A 18 -0.855 3.927 -3.917 1.00 33.31 H new ATOM 0 HE2 LYS A 18 -3.121 2.916 -4.487 1.00 74.30 H new ATOM 0 HE3 LYS A 18 -3.851 4.447 -4.048 1.00 74.30 H new ATOM 0 HZ1 LYS A 18 -3.335 4.132 -6.467 1.00 45.41 H new ATOM 0 HZ2 LYS A 18 -2.715 5.556 -5.780 1.00 45.41 H new ATOM 0 HZ3 LYS A 18 -1.687 4.237 -6.072 1.00 45.41 H new ATOM 265 N CYS A 19 -2.205 1.034 0.662 1.00 55.34 N ATOM 266 CA CYS A 19 -2.740 -0.332 0.557 1.00 14.31 C ATOM 267 C CYS A 19 -4.130 -0.318 -0.087 1.00 73.20 C ATOM 268 O CYS A 19 -5.095 0.155 0.514 1.00 45.21 O ATOM 269 CB CYS A 19 -2.833 -0.980 1.942 1.00 22.52 C ATOM 270 SG CYS A 19 -1.240 -1.126 2.811 1.00 74.24 S ATOM 0 H CYS A 19 -2.648 1.597 1.388 1.00 55.34 H new ATOM 0 HA CYS A 19 -2.060 -0.911 -0.068 1.00 14.31 H new ATOM 0 HB2 CYS A 19 -3.517 -0.396 2.558 1.00 22.52 H new ATOM 0 HB3 CYS A 19 -3.268 -1.974 1.837 1.00 22.52 H new ATOM 275 N ILE A 20 -4.231 -0.834 -1.307 1.00 34.25 N ATOM 276 CA ILE A 20 -5.500 -0.823 -2.046 1.00 70.53 C ATOM 277 C ILE A 20 -5.895 -2.220 -2.537 1.00 73.14 C ATOM 278 O ILE A 20 -5.053 -3.110 -2.671 1.00 4.20 O ATOM 279 CB ILE A 20 -5.430 0.128 -3.270 1.00 3.30 C ATOM 280 CG1 ILE A 20 -4.292 -0.294 -4.222 1.00 24.34 C ATOM 281 CG2 ILE A 20 -5.253 1.575 -2.816 1.00 32.10 C ATOM 282 CD1 ILE A 20 -4.216 0.532 -5.490 1.00 21.43 C ATOM 0 H ILE A 20 -3.455 -1.265 -1.809 1.00 34.25 H new ATOM 0 HA ILE A 20 -6.255 -0.468 -1.344 1.00 70.53 H new ATOM 0 HB ILE A 20 -6.371 0.057 -3.816 1.00 3.30 H new ATOM 0 HG12 ILE A 20 -3.342 -0.218 -3.693 1.00 24.34 H new ATOM 0 HG13 ILE A 20 -4.425 -1.342 -4.490 1.00 24.34 H new ATOM 0 HG21 ILE A 20 -5.206 2.227 -3.688 1.00 32.10 H new ATOM 0 HG22 ILE A 20 -6.097 1.866 -2.191 1.00 32.10 H new ATOM 0 HG23 ILE A 20 -4.329 1.667 -2.244 1.00 32.10 H new ATOM 0 HD11 ILE A 20 -3.392 0.175 -6.108 1.00 21.43 H new ATOM 0 HD12 ILE A 20 -5.151 0.437 -6.042 1.00 21.43 H new ATOM 0 HD13 ILE A 20 -4.051 1.578 -5.233 1.00 21.43 H new ATOM 294 N ASN A 21 -7.185 -2.408 -2.799 1.00 75.40 N ATOM 295 CA ASN A 21 -7.678 -3.632 -3.439 1.00 4.15 C ATOM 296 C ASN A 21 -8.349 -3.289 -4.777 1.00 21.54 C ATOM 297 O ASN A 21 -8.696 -2.136 -5.029 1.00 42.05 O ATOM 298 CB ASN A 21 -8.653 -4.391 -2.517 1.00 25.31 C ATOM 299 CG ASN A 21 -9.874 -3.572 -2.119 1.00 73.54 C ATOM 300 OD1 ASN A 21 -10.316 -2.694 -2.847 1.00 24.55 O ATOM 301 ND2 ASN A 21 -10.446 -3.871 -0.970 1.00 42.10 N ATOM 0 H ASN A 21 -7.913 -1.728 -2.579 1.00 75.40 H new ATOM 0 HA ASN A 21 -6.828 -4.288 -3.628 1.00 4.15 H new ATOM 0 HB2 ASN A 21 -8.983 -5.300 -3.020 1.00 25.31 H new ATOM 0 HB3 ASN A 21 -8.123 -4.700 -1.616 1.00 25.31 H new ATOM 0 HD21 ASN A 21 -11.279 -3.365 -0.668 1.00 42.10 H new ATOM 0 HD22 ASN A 21 -10.056 -4.608 -0.383 1.00 42.10 H new ATOM 308 N HIS A 22 -8.549 -4.289 -5.631 1.00 52.32 N ATOM 309 CA HIS A 22 -9.138 -4.047 -6.957 1.00 11.32 C ATOM 310 C HIS A 22 -10.622 -3.634 -6.860 1.00 4.42 C ATOM 311 O HIS A 22 -11.223 -3.218 -7.851 1.00 23.04 O ATOM 312 CB HIS A 22 -8.968 -5.281 -7.855 1.00 65.22 C ATOM 313 CG HIS A 22 -7.532 -5.639 -8.099 1.00 32.12 C ATOM 314 ND1 HIS A 22 -6.832 -6.524 -7.306 1.00 74.04 N ATOM 315 CD2 HIS A 22 -6.654 -5.211 -9.039 1.00 11.14 C ATOM 316 CE1 HIS A 22 -5.592 -6.620 -7.740 1.00 53.11 C ATOM 317 NE2 HIS A 22 -5.459 -5.838 -8.788 1.00 62.43 N ATOM 0 H HIS A 22 -8.318 -5.264 -5.439 1.00 52.32 H new ATOM 0 HA HIS A 22 -8.602 -3.213 -7.409 1.00 11.32 H new ATOM 0 HB2 HIS A 22 -9.475 -6.130 -7.395 1.00 65.22 H new ATOM 0 HB3 HIS A 22 -9.458 -5.097 -8.811 1.00 65.22 H new ATOM 0 HD2 HIS A 22 -6.856 -4.509 -9.835 1.00 11.14 H new ATOM 0 HE1 HIS A 22 -4.817 -7.236 -7.308 1.00 53.11 H new ATOM 0 HE2 HIS A 22 -4.603 -5.716 -9.329 1.00 62.43 H new ATOM 326 N TYR A 23 -11.203 -3.747 -5.661 1.00 2.31 N ATOM 327 CA TYR A 23 -12.570 -3.269 -5.409 1.00 5.54 C ATOM 328 C TYR A 23 -12.642 -1.735 -5.428 1.00 41.44 C ATOM 329 O TYR A 23 -13.671 -1.155 -5.782 1.00 10.21 O ATOM 330 CB TYR A 23 -13.092 -3.792 -4.061 1.00 51.55 C ATOM 331 CG TYR A 23 -13.532 -5.239 -4.105 1.00 70.42 C ATOM 332 CD1 TYR A 23 -12.610 -6.261 -4.272 1.00 2.52 C ATOM 333 CD2 TYR A 23 -14.877 -5.581 -3.990 1.00 52.35 C ATOM 334 CE1 TYR A 23 -13.011 -7.579 -4.326 1.00 22.11 C ATOM 335 CE2 TYR A 23 -15.285 -6.899 -4.036 1.00 74.23 C ATOM 336 CZ TYR A 23 -14.348 -7.895 -4.204 1.00 74.11 C ATOM 337 OH TYR A 23 -14.752 -9.211 -4.268 1.00 21.23 O ATOM 0 H TYR A 23 -10.749 -4.165 -4.849 1.00 2.31 H new ATOM 0 HA TYR A 23 -13.199 -3.655 -6.211 1.00 5.54 H new ATOM 0 HB2 TYR A 23 -12.310 -3.681 -3.310 1.00 51.55 H new ATOM 0 HB3 TYR A 23 -13.931 -3.175 -3.741 1.00 51.55 H new ATOM 0 HD1 TYR A 23 -11.561 -6.021 -4.361 1.00 2.52 H new ATOM 0 HD2 TYR A 23 -15.614 -4.802 -3.863 1.00 52.35 H new ATOM 0 HE1 TYR A 23 -12.280 -8.362 -4.463 1.00 22.11 H new ATOM 0 HE2 TYR A 23 -16.332 -7.148 -3.941 1.00 74.23 H new ATOM 0 HH TYR A 23 -15.725 -9.260 -4.163 1.00 21.23 H new ATOM 347 N GLY A 24 -11.543 -1.085 -5.055 1.00 54.31 N ATOM 348 CA GLY A 24 -11.514 0.373 -4.962 1.00 41.42 C ATOM 349 C GLY A 24 -11.302 0.871 -3.533 1.00 21.52 C ATOM 350 O GLY A 24 -11.308 2.074 -3.279 1.00 43.44 O ATOM 0 H GLY A 24 -10.664 -1.542 -4.813 1.00 54.31 H new ATOM 0 HA2 GLY A 24 -10.716 0.757 -5.598 1.00 41.42 H new ATOM 0 HA3 GLY A 24 -12.451 0.776 -5.347 1.00 41.42 H new ATOM 354 N GLY A 25 -11.121 -0.066 -2.600 1.00 22.30 N ATOM 355 CA GLY A 25 -10.840 0.285 -1.213 1.00 51.42 C ATOM 356 C GLY A 25 -9.450 0.888 -1.037 1.00 42.54 C ATOM 357 O GLY A 25 -8.443 0.239 -1.322 1.00 11.03 O ATOM 0 H GLY A 25 -11.164 -1.069 -2.782 1.00 22.30 H new ATOM 0 HA2 GLY A 25 -11.589 0.995 -0.862 1.00 51.42 H new ATOM 0 HA3 GLY A 25 -10.929 -0.605 -0.590 1.00 51.42 H new ATOM 361 N TYR A 26 -9.399 2.130 -0.571 1.00 3.45 N ATOM 362 CA TYR A 26 -8.134 2.851 -0.391 1.00 11.30 C ATOM 363 C TYR A 26 -7.805 3.039 1.099 1.00 53.33 C ATOM 364 O TYR A 26 -8.451 3.819 1.803 1.00 24.44 O ATOM 365 CB TYR A 26 -8.222 4.212 -1.102 1.00 32.21 C ATOM 366 CG TYR A 26 -7.056 5.149 -0.832 1.00 61.11 C ATOM 367 CD1 TYR A 26 -5.800 4.903 -1.370 1.00 2.43 C ATOM 368 CD2 TYR A 26 -7.220 6.288 -0.044 1.00 11.34 C ATOM 369 CE1 TYR A 26 -4.743 5.756 -1.129 1.00 23.41 C ATOM 370 CE2 TYR A 26 -6.166 7.146 0.197 1.00 24.24 C ATOM 371 CZ TYR A 26 -4.932 6.876 -0.349 1.00 65.14 C ATOM 372 OH TYR A 26 -3.880 7.728 -0.111 1.00 2.45 O ATOM 0 H TYR A 26 -10.225 2.667 -0.307 1.00 3.45 H new ATOM 0 HA TYR A 26 -7.328 2.262 -0.830 1.00 11.30 H new ATOM 0 HB2 TYR A 26 -8.291 4.041 -2.176 1.00 32.21 H new ATOM 0 HB3 TYR A 26 -9.145 4.706 -0.798 1.00 32.21 H new ATOM 0 HD1 TYR A 26 -5.648 4.030 -1.987 1.00 2.43 H new ATOM 0 HD2 TYR A 26 -8.188 6.502 0.385 1.00 11.34 H new ATOM 0 HE1 TYR A 26 -3.771 5.547 -1.550 1.00 23.41 H new ATOM 0 HE2 TYR A 26 -6.309 8.024 0.810 1.00 24.24 H new ATOM 0 HH TYR A 26 -3.401 7.439 0.693 1.00 2.45 H new ATOM 382 N LEU A 27 -6.784 2.323 1.569 1.00 72.03 N ATOM 383 CA LEU A 27 -6.348 2.402 2.969 1.00 44.45 C ATOM 384 C LEU A 27 -4.857 2.756 3.066 1.00 13.32 C ATOM 385 O LEU A 27 -4.033 2.207 2.339 1.00 22.12 O ATOM 386 CB LEU A 27 -6.607 1.064 3.681 1.00 15.11 C ATOM 387 CG LEU A 27 -8.077 0.611 3.738 1.00 71.13 C ATOM 388 CD1 LEU A 27 -8.194 -0.755 4.412 1.00 52.13 C ATOM 389 CD2 LEU A 27 -8.934 1.645 4.465 1.00 31.44 C ATOM 0 H LEU A 27 -6.238 1.677 0.999 1.00 72.03 H new ATOM 0 HA LEU A 27 -6.923 3.190 3.455 1.00 44.45 H new ATOM 0 HB2 LEU A 27 -6.026 0.289 3.181 1.00 15.11 H new ATOM 0 HB3 LEU A 27 -6.229 1.137 4.701 1.00 15.11 H new ATOM 0 HG LEU A 27 -8.445 0.521 2.716 1.00 71.13 H new ATOM 0 HD11 LEU A 27 -9.241 -1.057 4.442 1.00 52.13 H new ATOM 0 HD12 LEU A 27 -7.620 -1.490 3.847 1.00 52.13 H new ATOM 0 HD13 LEU A 27 -7.804 -0.694 5.428 1.00 52.13 H new ATOM 0 HD21 LEU A 27 -9.969 1.304 4.494 1.00 31.44 H new ATOM 0 HD22 LEU A 27 -8.566 1.772 5.483 1.00 31.44 H new ATOM 0 HD23 LEU A 27 -8.880 2.598 3.938 1.00 31.44 H new ATOM 401 N CYS A 28 -4.513 3.674 3.964 1.00 12.10 N ATOM 402 CA CYS A 28 -3.109 4.049 4.185 1.00 13.04 C ATOM 403 C CYS A 28 -2.609 3.548 5.544 1.00 73.43 C ATOM 404 O CYS A 28 -3.206 3.837 6.580 1.00 2.44 O ATOM 405 CB CYS A 28 -2.924 5.569 4.086 1.00 54.13 C ATOM 406 SG CYS A 28 -3.275 6.244 2.427 1.00 72.32 S ATOM 0 H CYS A 28 -5.180 4.174 4.552 1.00 12.10 H new ATOM 0 HA CYS A 28 -2.517 3.573 3.403 1.00 13.04 H new ATOM 0 HB2 CYS A 28 -3.577 6.054 4.811 1.00 54.13 H new ATOM 0 HB3 CYS A 28 -1.900 5.820 4.362 1.00 54.13 H new ATOM 411 N LEU A 29 -1.517 2.787 5.537 1.00 53.11 N ATOM 412 CA LEU A 29 -0.938 2.241 6.772 1.00 12.12 C ATOM 413 C LEU A 29 0.277 3.067 7.231 1.00 71.03 C ATOM 414 O LEU A 29 0.984 3.651 6.405 1.00 51.23 O ATOM 415 CB LEU A 29 -0.527 0.772 6.562 1.00 21.14 C ATOM 416 CG LEU A 29 -1.674 -0.185 6.197 1.00 41.23 C ATOM 417 CD1 LEU A 29 -1.159 -1.612 6.025 1.00 65.23 C ATOM 418 CD2 LEU A 29 -2.780 -0.130 7.251 1.00 53.50 C ATOM 0 H LEU A 29 -1.011 2.531 4.689 1.00 53.11 H new ATOM 0 HA LEU A 29 -1.698 2.294 7.551 1.00 12.12 H new ATOM 0 HB2 LEU A 29 0.224 0.731 5.773 1.00 21.14 H new ATOM 0 HB3 LEU A 29 -0.051 0.411 7.474 1.00 21.14 H new ATOM 0 HG LEU A 29 -2.095 0.138 5.245 1.00 41.23 H new ATOM 0 HD11 LEU A 29 -1.989 -2.270 5.767 1.00 65.23 H new ATOM 0 HD12 LEU A 29 -0.415 -1.637 5.228 1.00 65.23 H new ATOM 0 HD13 LEU A 29 -0.704 -1.950 6.956 1.00 65.23 H new ATOM 0 HD21 LEU A 29 -3.582 -0.814 6.973 1.00 53.50 H new ATOM 0 HD22 LEU A 29 -2.374 -0.421 8.220 1.00 53.50 H new ATOM 0 HD23 LEU A 29 -3.174 0.884 7.312 1.00 53.50 H new ATOM 430 N PRO A 30 0.536 3.129 8.559 1.00 53.31 N ATOM 431 CA PRO A 30 1.680 3.878 9.117 1.00 11.11 C ATOM 432 C PRO A 30 3.036 3.437 8.533 1.00 72.50 C ATOM 433 O PRO A 30 3.204 2.294 8.100 1.00 13.50 O ATOM 434 CB PRO A 30 1.611 3.584 10.629 1.00 31.45 C ATOM 435 CG PRO A 30 0.724 2.391 10.754 1.00 14.23 C ATOM 436 CD PRO A 30 -0.261 2.489 9.620 1.00 31.33 C ATOM 0 HA PRO A 30 1.615 4.939 8.876 1.00 11.11 H new ATOM 0 HB2 PRO A 30 2.602 3.383 11.037 1.00 31.45 H new ATOM 0 HB3 PRO A 30 1.207 4.435 11.178 1.00 31.45 H new ATOM 0 HG2 PRO A 30 1.300 1.468 10.692 1.00 14.23 H new ATOM 0 HG3 PRO A 30 0.212 2.384 11.716 1.00 14.23 H new ATOM 0 HD2 PRO A 30 -0.629 1.509 9.316 1.00 31.33 H new ATOM 0 HD3 PRO A 30 -1.132 3.086 9.890 1.00 31.33 H new ATOM 444 N ARG A 31 4.014 4.339 8.564 1.00 54.54 N ATOM 445 CA ARG A 31 5.316 4.107 7.924 1.00 24.33 C ATOM 446 C ARG A 31 6.225 3.185 8.771 1.00 54.52 C ATOM 447 O ARG A 31 7.421 3.053 8.505 1.00 42.23 O ATOM 448 CB ARG A 31 6.006 5.460 7.675 1.00 1.31 C ATOM 449 CG ARG A 31 7.234 5.383 6.772 1.00 72.32 C ATOM 450 CD ARG A 31 7.863 6.754 6.554 1.00 35.11 C ATOM 451 NE ARG A 31 8.798 6.752 5.432 1.00 61.12 N ATOM 452 CZ ARG A 31 9.498 7.787 5.061 1.00 31.34 C ATOM 453 NH1 ARG A 31 9.423 8.901 5.715 1.00 31.31 N ATOM 454 NH2 ARG A 31 10.269 7.705 4.029 1.00 40.34 N ATOM 0 H ARG A 31 3.933 5.244 9.027 1.00 54.54 H new ATOM 0 HA ARG A 31 5.143 3.598 6.976 1.00 24.33 H new ATOM 0 HB2 ARG A 31 5.285 6.146 7.230 1.00 1.31 H new ATOM 0 HB3 ARG A 31 6.301 5.886 8.634 1.00 1.31 H new ATOM 0 HG2 ARG A 31 7.970 4.712 7.215 1.00 72.32 H new ATOM 0 HG3 ARG A 31 6.952 4.956 5.810 1.00 72.32 H new ATOM 0 HD2 ARG A 31 7.079 7.488 6.372 1.00 35.11 H new ATOM 0 HD3 ARG A 31 8.384 7.063 7.460 1.00 35.11 H new ATOM 0 HE ARG A 31 8.910 5.886 4.905 1.00 61.12 H new ATOM 0 HH11 ARG A 31 8.812 8.975 6.529 1.00 31.31 H new ATOM 0 HH12 ARG A 31 9.975 9.705 5.417 1.00 31.31 H new ATOM 0 HH21 ARG A 31 10.329 6.832 3.506 1.00 40.34 H new ATOM 0 HH22 ARG A 31 10.818 8.514 3.737 1.00 40.34 H new ATOM 468 N SER A 32 5.654 2.560 9.801 1.00 2.20 N ATOM 469 CA SER A 32 6.396 1.610 10.649 1.00 51.04 C ATOM 470 C SER A 32 6.867 0.377 9.859 1.00 13.20 C ATOM 471 O SER A 32 7.921 -0.197 10.150 1.00 72.14 O ATOM 472 CB SER A 32 5.528 1.150 11.829 1.00 51.55 C ATOM 473 OG SER A 32 6.211 0.192 12.624 1.00 50.20 O ATOM 0 H SER A 32 4.680 2.691 10.073 1.00 2.20 H new ATOM 0 HA SER A 32 7.276 2.137 11.019 1.00 51.04 H new ATOM 0 HB2 SER A 32 5.258 2.010 12.442 1.00 51.55 H new ATOM 0 HB3 SER A 32 4.599 0.720 11.455 1.00 51.55 H new ATOM 0 HG SER A 32 5.637 -0.083 13.369 1.00 50.20 H new ATOM 479 N ALA A 33 6.085 -0.025 8.860 1.00 34.23 N ATOM 480 CA ALA A 33 6.395 -1.215 8.057 1.00 5.54 C ATOM 481 C ALA A 33 7.238 -0.869 6.817 1.00 71.33 C ATOM 482 O ALA A 33 7.193 0.253 6.312 1.00 4.42 O ATOM 483 CB ALA A 33 5.106 -1.919 7.642 1.00 1.13 C ATOM 0 H ALA A 33 5.228 0.455 8.583 1.00 34.23 H new ATOM 0 HA ALA A 33 6.989 -1.886 8.678 1.00 5.54 H new ATOM 0 HB1 ALA A 33 5.348 -2.800 7.047 1.00 1.13 H new ATOM 0 HB2 ALA A 33 4.554 -2.222 8.532 1.00 1.13 H new ATOM 0 HB3 ALA A 33 4.494 -1.238 7.050 1.00 1.13 H new ATOM 489 N ALA A 34 8.004 -1.848 6.331 1.00 3.52 N ATOM 490 CA ALA A 34 8.875 -1.655 5.161 1.00 10.41 C ATOM 491 C ALA A 34 8.622 -2.722 4.083 1.00 45.20 C ATOM 492 O ALA A 34 8.170 -3.830 4.379 1.00 1.43 O ATOM 493 CB ALA A 34 10.339 -1.676 5.592 1.00 43.44 C ATOM 0 H ALA A 34 8.041 -2.787 6.728 1.00 3.52 H new ATOM 0 HA ALA A 34 8.640 -0.684 4.725 1.00 10.41 H new ATOM 0 HB1 ALA A 34 10.977 -1.532 4.720 1.00 43.44 H new ATOM 0 HB2 ALA A 34 10.519 -0.875 6.309 1.00 43.44 H new ATOM 0 HB3 ALA A 34 10.568 -2.636 6.055 1.00 43.44 H new ATOM 499 N VAL A 35 8.918 -2.384 2.827 1.00 14.32 N ATOM 500 CA VAL A 35 8.733 -3.320 1.710 1.00 45.42 C ATOM 501 C VAL A 35 10.005 -4.151 1.436 1.00 34.23 C ATOM 502 O VAL A 35 10.898 -3.734 0.697 1.00 44.11 O ATOM 503 CB VAL A 35 8.277 -2.590 0.413 1.00 71.45 C ATOM 504 CG1 VAL A 35 6.836 -2.096 0.552 1.00 12.22 C ATOM 505 CG2 VAL A 35 9.211 -1.425 0.075 1.00 72.03 C ATOM 0 H VAL A 35 9.286 -1.472 2.555 1.00 14.32 H new ATOM 0 HA VAL A 35 7.941 -4.005 2.012 1.00 45.42 H new ATOM 0 HB VAL A 35 8.322 -3.307 -0.407 1.00 71.45 H new ATOM 0 HG11 VAL A 35 6.535 -1.588 -0.365 1.00 12.22 H new ATOM 0 HG12 VAL A 35 6.176 -2.945 0.730 1.00 12.22 H new ATOM 0 HG13 VAL A 35 6.768 -1.402 1.390 1.00 12.22 H new ATOM 0 HG21 VAL A 35 8.867 -0.935 -0.836 1.00 72.03 H new ATOM 0 HG22 VAL A 35 9.210 -0.708 0.896 1.00 72.03 H new ATOM 0 HG23 VAL A 35 10.223 -1.802 -0.076 1.00 72.03 H new ATOM 515 N ILE A 36 10.086 -5.331 2.052 1.00 43.31 N ATOM 516 CA ILE A 36 11.245 -6.223 1.881 1.00 34.10 C ATOM 517 C ILE A 36 10.833 -7.602 1.329 1.00 12.24 C ATOM 518 O ILE A 36 9.816 -8.169 1.731 1.00 65.40 O ATOM 519 CB ILE A 36 12.030 -6.418 3.215 1.00 55.02 C ATOM 520 CG1 ILE A 36 11.229 -7.241 4.251 1.00 45.31 C ATOM 521 CG2 ILE A 36 12.427 -5.065 3.802 1.00 55.44 C ATOM 522 CD1 ILE A 36 9.994 -6.549 4.795 1.00 11.14 C ATOM 0 H ILE A 36 9.365 -5.696 2.675 1.00 43.31 H new ATOM 0 HA ILE A 36 11.896 -5.734 1.157 1.00 34.10 H new ATOM 0 HB ILE A 36 12.931 -6.985 2.979 1.00 55.02 H new ATOM 0 HG12 ILE A 36 10.928 -8.183 3.792 1.00 45.31 H new ATOM 0 HG13 ILE A 36 11.887 -7.488 5.084 1.00 45.31 H new ATOM 0 HG21 ILE A 36 12.974 -5.218 4.732 1.00 55.44 H new ATOM 0 HG22 ILE A 36 13.060 -4.532 3.093 1.00 55.44 H new ATOM 0 HG23 ILE A 36 11.531 -4.477 4.001 1.00 55.44 H new ATOM 0 HD11 ILE A 36 9.498 -7.202 5.513 1.00 11.14 H new ATOM 0 HD12 ILE A 36 10.284 -5.621 5.288 1.00 11.14 H new ATOM 0 HD13 ILE A 36 9.311 -6.326 3.975 1.00 11.14 H new ATOM 534 N ASN A 37 11.635 -8.146 0.412 1.00 14.13 N ATOM 535 CA ASN A 37 11.362 -9.470 -0.177 1.00 73.11 C ATOM 536 C ASN A 37 11.724 -10.620 0.787 1.00 32.34 C ATOM 537 O ASN A 37 11.769 -11.787 0.390 1.00 13.35 O ATOM 538 CB ASN A 37 12.123 -9.636 -1.504 1.00 75.13 C ATOM 539 CG ASN A 37 13.626 -9.529 -1.336 1.00 13.01 C ATOM 540 OD1 ASN A 37 14.205 -8.457 -1.467 1.00 21.05 O ATOM 541 ND2 ASN A 37 14.271 -10.637 -1.038 1.00 11.03 N ATOM 0 H ASN A 37 12.479 -7.696 0.058 1.00 14.13 H new ATOM 0 HA ASN A 37 10.290 -9.523 -0.366 1.00 73.11 H new ATOM 0 HB2 ASN A 37 11.879 -10.605 -1.939 1.00 75.13 H new ATOM 0 HB3 ASN A 37 11.786 -8.876 -2.209 1.00 75.13 H new ATOM 0 HD21 ASN A 37 15.283 -10.619 -0.909 1.00 11.03 H new ATOM 0 HD22 ASN A 37 13.759 -11.513 -0.936 1.00 11.03 H new ATOM 548 N ASP A 38 11.979 -10.285 2.050 1.00 21.33 N ATOM 549 CA ASP A 38 12.285 -11.286 3.076 1.00 34.03 C ATOM 550 C ASP A 38 11.020 -11.721 3.841 1.00 22.14 C ATOM 551 O ASP A 38 11.042 -12.737 4.534 1.00 31.25 O ATOM 552 CB ASP A 38 13.308 -10.718 4.064 1.00 1.03 C ATOM 553 CG ASP A 38 14.567 -10.217 3.376 1.00 25.54 C ATOM 554 OD1 ASP A 38 14.598 -9.035 2.971 1.00 74.41 O ATOM 555 OD2 ASP A 38 15.533 -10.995 3.249 1.00 61.13 O ATOM 0 H ASP A 38 11.980 -9.324 2.391 1.00 21.33 H new ATOM 0 HA ASP A 38 12.696 -12.162 2.574 1.00 34.03 H new ATOM 0 HB2 ASP A 38 12.853 -9.900 4.622 1.00 1.03 H new ATOM 0 HB3 ASP A 38 13.575 -11.488 4.788 1.00 1.03 H new ATOM 560 N LEU A 39 9.930 -10.942 3.681 1.00 62.42 N ATOM 561 CA LEU A 39 8.650 -11.092 4.430 1.00 4.43 C ATOM 562 C LEU A 39 8.791 -11.687 5.856 1.00 64.02 C ATOM 563 O LEU A 39 8.583 -10.980 6.845 1.00 22.44 O ATOM 564 CB LEU A 39 7.519 -11.812 3.620 1.00 63.13 C ATOM 565 CG LEU A 39 7.893 -12.783 2.467 1.00 10.21 C ATOM 566 CD1 LEU A 39 8.620 -12.065 1.333 1.00 30.53 C ATOM 567 CD2 LEU A 39 8.695 -13.979 2.969 1.00 40.24 C ATOM 0 H LEU A 39 9.908 -10.171 3.013 1.00 62.42 H new ATOM 0 HA LEU A 39 8.333 -10.058 4.570 1.00 4.43 H new ATOM 0 HB2 LEU A 39 6.915 -12.372 4.333 1.00 63.13 H new ATOM 0 HB3 LEU A 39 6.878 -11.038 3.198 1.00 63.13 H new ATOM 0 HG LEU A 39 6.956 -13.166 2.063 1.00 10.21 H new ATOM 0 HD11 LEU A 39 8.864 -12.780 0.547 1.00 30.53 H new ATOM 0 HD12 LEU A 39 7.978 -11.283 0.927 1.00 30.53 H new ATOM 0 HD13 LEU A 39 9.538 -11.618 1.715 1.00 30.53 H new ATOM 0 HD21 LEU A 39 8.936 -14.633 2.131 1.00 40.24 H new ATOM 0 HD22 LEU A 39 9.617 -13.630 3.434 1.00 40.24 H new ATOM 0 HD23 LEU A 39 8.106 -14.530 3.702 1.00 40.24 H new ATOM 579 N HIS A 40 9.123 -12.974 5.965 1.00 35.43 N ATOM 580 CA HIS A 40 9.282 -13.629 7.273 1.00 62.03 C ATOM 581 C HIS A 40 10.439 -13.006 8.074 1.00 35.20 C ATOM 582 O HIS A 40 10.333 -12.795 9.285 1.00 13.44 O ATOM 583 CB HIS A 40 9.535 -15.133 7.095 1.00 53.14 C ATOM 584 CG HIS A 40 8.485 -15.834 6.293 1.00 5.23 C ATOM 585 ND1 HIS A 40 7.136 -15.600 6.446 1.00 30.23 N ATOM 586 CD2 HIS A 40 8.590 -16.763 5.312 1.00 51.14 C ATOM 587 CE1 HIS A 40 6.458 -16.348 5.600 1.00 45.23 C ATOM 588 NE2 HIS A 40 7.316 -17.063 4.902 1.00 63.03 N ATOM 0 H HIS A 40 9.288 -13.587 5.167 1.00 35.43 H new ATOM 0 HA HIS A 40 8.356 -13.481 7.828 1.00 62.03 H new ATOM 0 HB2 HIS A 40 10.502 -15.274 6.612 1.00 53.14 H new ATOM 0 HB3 HIS A 40 9.599 -15.599 8.078 1.00 53.14 H new ATOM 0 HD2 HIS A 40 9.505 -17.187 4.926 1.00 51.14 H new ATOM 0 HE1 HIS A 40 5.383 -16.371 5.496 1.00 45.23 H new ATOM 0 HE2 HIS A 40 7.072 -17.733 4.173 1.00 63.03 H new ATOM 597 N GLY A 41 11.546 -12.722 7.388 1.00 61.21 N ATOM 598 CA GLY A 41 12.701 -12.100 8.033 1.00 13.13 C ATOM 599 C GLY A 41 13.553 -13.077 8.847 1.00 42.43 C ATOM 600 O GLY A 41 14.723 -13.304 8.529 1.00 32.20 O ATOM 0 H GLY A 41 11.667 -12.911 6.393 1.00 61.21 H new ATOM 0 HA2 GLY A 41 13.326 -11.636 7.270 1.00 13.13 H new ATOM 0 HA3 GLY A 41 12.353 -11.302 8.689 1.00 13.13 H new ATOM 604 N GLU A 42 12.971 -13.644 9.904 1.00 11.15 N ATOM 605 CA GLU A 42 13.685 -14.585 10.782 1.00 51.14 C ATOM 606 C GLU A 42 14.090 -15.854 10.012 1.00 53.45 C ATOM 607 O GLU A 42 13.245 -16.528 9.420 1.00 12.55 O ATOM 608 CB GLU A 42 12.800 -14.935 11.996 1.00 51.02 C ATOM 609 CG GLU A 42 13.503 -15.706 13.121 1.00 3.24 C ATOM 610 CD GLU A 42 13.581 -17.206 12.877 1.00 74.31 C ATOM 611 OE1 GLU A 42 12.551 -17.894 13.049 1.00 45.02 O ATOM 612 OE2 GLU A 42 14.669 -17.709 12.534 1.00 71.14 O ATOM 0 H GLU A 42 12.004 -13.470 10.178 1.00 11.15 H new ATOM 0 HA GLU A 42 14.600 -14.111 11.138 1.00 51.14 H new ATOM 0 HB2 GLU A 42 12.397 -14.010 12.409 1.00 51.02 H new ATOM 0 HB3 GLU A 42 11.952 -15.525 11.648 1.00 51.02 H new ATOM 0 HG2 GLU A 42 14.513 -15.313 13.243 1.00 3.24 H new ATOM 0 HG3 GLU A 42 12.976 -15.526 14.058 1.00 3.24 H new ATOM 619 N GLY A 43 15.380 -16.175 10.036 1.00 25.12 N ATOM 620 CA GLY A 43 15.893 -17.300 9.264 1.00 55.11 C ATOM 621 C GLY A 43 16.165 -16.933 7.806 1.00 75.15 C ATOM 622 O GLY A 43 16.437 -15.768 7.499 1.00 55.43 O ATOM 0 H GLY A 43 16.085 -15.675 10.578 1.00 25.12 H new ATOM 0 HA2 GLY A 43 16.814 -17.661 9.722 1.00 55.11 H new ATOM 0 HA3 GLY A 43 15.175 -18.120 9.301 1.00 55.11 H new ATOM 626 N PRO A 44 16.120 -17.911 6.884 1.00 41.24 N ATOM 627 CA PRO A 44 16.295 -17.660 5.452 1.00 45.41 C ATOM 628 C PRO A 44 14.964 -17.348 4.738 1.00 70.10 C ATOM 629 O PRO A 44 13.930 -17.944 5.050 1.00 20.50 O ATOM 630 CB PRO A 44 16.870 -18.992 4.965 1.00 21.02 C ATOM 631 CG PRO A 44 16.211 -20.020 5.830 1.00 55.30 C ATOM 632 CD PRO A 44 15.918 -19.349 7.160 1.00 23.44 C ATOM 0 HA PRO A 44 16.922 -16.792 5.249 1.00 45.41 H new ATOM 0 HB2 PRO A 44 16.649 -19.159 3.911 1.00 21.02 H new ATOM 0 HB3 PRO A 44 17.954 -19.019 5.071 1.00 21.02 H new ATOM 0 HG2 PRO A 44 15.292 -20.382 5.369 1.00 55.30 H new ATOM 0 HG3 PRO A 44 16.861 -20.884 5.967 1.00 55.30 H new ATOM 0 HD2 PRO A 44 14.901 -19.553 7.495 1.00 23.44 H new ATOM 0 HD3 PRO A 44 16.588 -19.704 7.943 1.00 23.44 H new ATOM 640 N PRO A 45 14.959 -16.402 3.781 1.00 44.14 N ATOM 641 CA PRO A 45 13.758 -16.100 2.990 1.00 24.15 C ATOM 642 C PRO A 45 13.504 -17.154 1.895 1.00 0.02 C ATOM 643 O PRO A 45 14.440 -17.802 1.421 1.00 2.33 O ATOM 644 CB PRO A 45 14.093 -14.734 2.372 1.00 41.50 C ATOM 645 CG PRO A 45 15.579 -14.751 2.228 1.00 10.43 C ATOM 646 CD PRO A 45 16.105 -15.552 3.397 1.00 30.41 C ATOM 0 HA PRO A 45 12.848 -16.100 3.590 1.00 24.15 H new ATOM 0 HB2 PRO A 45 13.601 -14.602 1.408 1.00 41.50 H new ATOM 0 HB3 PRO A 45 13.764 -13.916 3.013 1.00 41.50 H new ATOM 0 HG2 PRO A 45 15.874 -15.204 1.281 1.00 10.43 H new ATOM 0 HG3 PRO A 45 15.983 -13.739 2.236 1.00 10.43 H new ATOM 0 HD2 PRO A 45 16.971 -16.151 3.115 1.00 30.41 H new ATOM 0 HD3 PRO A 45 16.417 -14.906 4.217 1.00 30.41 H new ATOM 654 N PRO A 46 12.236 -17.348 1.476 1.00 40.22 N ATOM 655 CA PRO A 46 11.897 -18.308 0.405 1.00 51.45 C ATOM 656 C PRO A 46 12.578 -17.956 -0.932 1.00 62.51 C ATOM 657 O PRO A 46 12.928 -16.797 -1.168 1.00 24.11 O ATOM 658 CB PRO A 46 10.364 -18.185 0.287 1.00 34.32 C ATOM 659 CG PRO A 46 10.040 -16.858 0.886 1.00 2.52 C ATOM 660 CD PRO A 46 11.040 -16.660 1.992 1.00 2.33 C ATOM 0 HA PRO A 46 12.237 -19.318 0.636 1.00 51.45 H new ATOM 0 HB2 PRO A 46 10.042 -18.239 -0.753 1.00 34.32 H new ATOM 0 HB3 PRO A 46 9.860 -18.992 0.819 1.00 34.32 H new ATOM 0 HG2 PRO A 46 10.114 -16.064 0.143 1.00 2.52 H new ATOM 0 HG3 PRO A 46 9.020 -16.840 1.271 1.00 2.52 H new ATOM 0 HD2 PRO A 46 11.231 -15.604 2.181 1.00 2.33 H new ATOM 0 HD3 PRO A 46 10.697 -17.095 2.931 1.00 2.33 H new ATOM 668 N PRO A 47 12.796 -18.954 -1.818 1.00 12.15 N ATOM 669 CA PRO A 47 13.374 -18.711 -3.154 1.00 3.21 C ATOM 670 C PRO A 47 12.544 -17.709 -3.982 1.00 51.01 C ATOM 671 O PRO A 47 11.652 -18.090 -4.745 1.00 43.43 O ATOM 672 CB PRO A 47 13.374 -20.104 -3.808 1.00 21.34 C ATOM 673 CG PRO A 47 13.336 -21.062 -2.662 1.00 0.43 C ATOM 674 CD PRO A 47 12.519 -20.386 -1.592 1.00 71.12 C ATOM 0 HA PRO A 47 14.366 -18.263 -3.094 1.00 3.21 H new ATOM 0 HB2 PRO A 47 12.512 -20.234 -4.462 1.00 21.34 H new ATOM 0 HB3 PRO A 47 14.263 -20.254 -4.420 1.00 21.34 H new ATOM 0 HG2 PRO A 47 12.886 -22.009 -2.958 1.00 0.43 H new ATOM 0 HG3 PRO A 47 14.341 -21.285 -2.305 1.00 0.43 H new ATOM 0 HD2 PRO A 47 11.457 -20.612 -1.691 1.00 71.12 H new ATOM 0 HD3 PRO A 47 12.820 -20.703 -0.594 1.00 71.12 H new ATOM 682 N VAL A 48 12.827 -16.419 -3.792 1.00 72.32 N ATOM 683 CA VAL A 48 12.102 -15.339 -4.475 1.00 54.11 C ATOM 684 C VAL A 48 13.074 -14.303 -5.065 1.00 43.01 C ATOM 685 O VAL A 48 14.200 -14.151 -4.586 1.00 12.35 O ATOM 686 CB VAL A 48 11.123 -14.614 -3.508 1.00 15.41 C ATOM 687 CG1 VAL A 48 10.080 -15.583 -2.951 1.00 21.13 C ATOM 688 CG2 VAL A 48 11.890 -13.928 -2.374 1.00 64.33 C ATOM 0 H VAL A 48 13.561 -16.092 -3.164 1.00 72.32 H new ATOM 0 HA VAL A 48 11.533 -15.803 -5.281 1.00 54.11 H new ATOM 0 HB VAL A 48 10.596 -13.847 -4.076 1.00 15.41 H new ATOM 0 HG11 VAL A 48 9.409 -15.048 -2.278 1.00 21.13 H new ATOM 0 HG12 VAL A 48 9.505 -16.010 -3.773 1.00 21.13 H new ATOM 0 HG13 VAL A 48 10.581 -16.382 -2.405 1.00 21.13 H new ATOM 0 HG21 VAL A 48 11.186 -13.427 -1.710 1.00 64.33 H new ATOM 0 HG22 VAL A 48 12.452 -14.674 -1.812 1.00 64.33 H new ATOM 0 HG23 VAL A 48 12.579 -13.194 -2.792 1.00 64.33 H new ATOM 698 N PRO A 49 12.663 -13.583 -6.127 1.00 73.44 N ATOM 699 CA PRO A 49 13.469 -12.491 -6.697 1.00 1.12 C ATOM 700 C PRO A 49 13.427 -11.222 -5.821 1.00 71.23 C ATOM 701 O PRO A 49 12.447 -10.980 -5.116 1.00 33.52 O ATOM 702 CB PRO A 49 12.801 -12.243 -8.058 1.00 2.53 C ATOM 703 CG PRO A 49 11.377 -12.636 -7.851 1.00 54.02 C ATOM 704 CD PRO A 49 11.397 -13.781 -6.867 1.00 22.25 C ATOM 0 HA PRO A 49 14.527 -12.745 -6.769 1.00 1.12 H new ATOM 0 HB2 PRO A 49 12.885 -11.198 -8.357 1.00 2.53 H new ATOM 0 HB3 PRO A 49 13.267 -12.838 -8.843 1.00 2.53 H new ATOM 0 HG2 PRO A 49 10.794 -11.800 -7.464 1.00 54.02 H new ATOM 0 HG3 PRO A 49 10.916 -12.938 -8.791 1.00 54.02 H new ATOM 0 HD2 PRO A 49 10.535 -13.752 -6.201 1.00 22.25 H new ATOM 0 HD3 PRO A 49 11.376 -14.746 -7.374 1.00 22.25 H new ATOM 712 N PRO A 50 14.486 -10.387 -5.853 1.00 54.30 N ATOM 713 CA PRO A 50 14.552 -9.154 -5.038 1.00 23.24 C ATOM 714 C PRO A 50 13.404 -8.164 -5.326 1.00 3.20 C ATOM 715 O PRO A 50 13.150 -7.248 -4.542 1.00 44.44 O ATOM 716 CB PRO A 50 15.910 -8.537 -5.420 1.00 65.51 C ATOM 717 CG PRO A 50 16.286 -9.185 -6.712 1.00 64.24 C ATOM 718 CD PRO A 50 15.705 -10.572 -6.662 1.00 34.23 C ATOM 0 HA PRO A 50 14.451 -9.379 -3.976 1.00 23.24 H new ATOM 0 HB2 PRO A 50 15.834 -7.455 -5.530 1.00 65.51 H new ATOM 0 HB3 PRO A 50 16.659 -8.728 -4.651 1.00 65.51 H new ATOM 0 HG2 PRO A 50 15.889 -8.626 -7.559 1.00 64.24 H new ATOM 0 HG3 PRO A 50 17.369 -9.219 -6.831 1.00 64.24 H new ATOM 0 HD2 PRO A 50 15.476 -10.951 -7.658 1.00 34.23 H new ATOM 0 HD3 PRO A 50 16.392 -11.282 -6.202 1.00 34.23 H new ATOM 726 N ALA A 51 12.719 -8.351 -6.455 1.00 41.35 N ATOM 727 CA ALA A 51 11.567 -7.511 -6.820 1.00 35.53 C ATOM 728 C ALA A 51 10.287 -7.912 -6.070 1.00 13.21 C ATOM 729 O ALA A 51 9.291 -7.188 -6.096 1.00 2.13 O ATOM 730 CB ALA A 51 11.322 -7.586 -8.322 1.00 71.41 C ATOM 0 H ALA A 51 12.939 -9.077 -7.137 1.00 41.35 H new ATOM 0 HA ALA A 51 11.812 -6.489 -6.530 1.00 35.53 H new ATOM 0 HB1 ALA A 51 10.468 -6.961 -8.583 1.00 71.41 H new ATOM 0 HB2 ALA A 51 12.206 -7.232 -8.853 1.00 71.41 H new ATOM 0 HB3 ALA A 51 11.117 -8.618 -8.606 1.00 71.41 H new ATOM 736 N GLN A 52 10.313 -9.071 -5.416 1.00 34.53 N ATOM 737 CA GLN A 52 9.142 -9.576 -4.692 1.00 44.43 C ATOM 738 C GLN A 52 8.745 -8.640 -3.539 1.00 75.11 C ATOM 739 O GLN A 52 9.598 -8.128 -2.811 1.00 65.31 O ATOM 740 CB GLN A 52 9.417 -10.995 -4.164 1.00 55.01 C ATOM 741 CG GLN A 52 8.240 -11.625 -3.419 1.00 31.44 C ATOM 742 CD GLN A 52 6.966 -11.666 -4.251 1.00 43.33 C ATOM 743 OE1 GLN A 52 6.162 -10.740 -4.225 1.00 51.03 O ATOM 744 NE2 GLN A 52 6.773 -12.729 -5.003 1.00 12.22 N ATOM 0 H GLN A 52 11.130 -9.680 -5.371 1.00 34.53 H new ATOM 0 HA GLN A 52 8.305 -9.612 -5.390 1.00 44.43 H new ATOM 0 HB2 GLN A 52 9.687 -11.637 -5.003 1.00 55.01 H new ATOM 0 HB3 GLN A 52 10.279 -10.962 -3.497 1.00 55.01 H new ATOM 0 HG2 GLN A 52 8.506 -12.639 -3.121 1.00 31.44 H new ATOM 0 HG3 GLN A 52 8.053 -11.063 -2.504 1.00 31.44 H new ATOM 0 HE21 GLN A 52 7.459 -13.484 -5.005 1.00 12.22 H new ATOM 0 HE22 GLN A 52 5.938 -12.798 -5.584 1.00 12.22 H new ATOM 753 N HIS A 53 7.441 -8.420 -3.378 1.00 33.34 N ATOM 754 CA HIS A 53 6.927 -7.528 -2.336 1.00 73.41 C ATOM 755 C HIS A 53 6.270 -8.321 -1.188 1.00 14.13 C ATOM 756 O HIS A 53 5.550 -9.288 -1.423 1.00 4.52 O ATOM 757 CB HIS A 53 5.938 -6.524 -2.946 1.00 11.10 C ATOM 758 CG HIS A 53 6.593 -5.524 -3.857 1.00 45.14 C ATOM 759 ND1 HIS A 53 6.851 -5.765 -5.187 1.00 44.34 N ATOM 760 CD2 HIS A 53 7.036 -4.263 -3.620 1.00 72.44 C ATOM 761 CE1 HIS A 53 7.418 -4.705 -5.726 1.00 24.41 C ATOM 762 NE2 HIS A 53 7.542 -3.777 -4.801 1.00 74.35 N ATOM 0 H HIS A 53 6.718 -8.848 -3.957 1.00 33.34 H new ATOM 0 HA HIS A 53 7.767 -6.980 -1.910 1.00 73.41 H new ATOM 0 HB2 HIS A 53 5.176 -7.068 -3.503 1.00 11.10 H new ATOM 0 HB3 HIS A 53 5.427 -5.993 -2.142 1.00 11.10 H new ATOM 0 HD2 HIS A 53 6.998 -3.738 -2.677 1.00 72.44 H new ATOM 0 HE1 HIS A 53 7.729 -4.613 -6.756 1.00 24.41 H new ATOM 0 HE2 HIS A 53 7.947 -2.851 -4.938 1.00 74.35 H new ATOM 771 N PRO A 54 6.505 -7.898 0.072 1.00 45.12 N ATOM 772 CA PRO A 54 6.030 -8.612 1.281 1.00 11.52 C ATOM 773 C PRO A 54 4.498 -8.683 1.410 1.00 1.52 C ATOM 774 O PRO A 54 3.967 -9.590 2.052 1.00 14.52 O ATOM 775 CB PRO A 54 6.629 -7.796 2.438 1.00 64.25 C ATOM 776 CG PRO A 54 6.872 -6.443 1.860 1.00 61.01 C ATOM 777 CD PRO A 54 7.258 -6.679 0.426 1.00 34.33 C ATOM 0 HA PRO A 54 6.339 -9.657 1.259 1.00 11.52 H new ATOM 0 HB2 PRO A 54 5.944 -7.748 3.285 1.00 64.25 H new ATOM 0 HB3 PRO A 54 7.554 -8.244 2.801 1.00 64.25 H new ATOM 0 HG2 PRO A 54 5.979 -5.821 1.928 1.00 61.01 H new ATOM 0 HG3 PRO A 54 7.664 -5.923 2.399 1.00 61.01 H new ATOM 0 HD2 PRO A 54 6.983 -5.837 -0.209 1.00 34.33 H new ATOM 0 HD3 PRO A 54 8.333 -6.823 0.317 1.00 34.33 H new ATOM 785 N ASN A 55 3.798 -7.725 0.798 1.00 10.32 N ATOM 786 CA ASN A 55 2.356 -7.545 1.025 1.00 32.24 C ATOM 787 C ASN A 55 2.034 -7.350 2.524 1.00 54.34 C ATOM 788 O ASN A 55 1.366 -8.178 3.149 1.00 73.05 O ATOM 789 CB ASN A 55 1.558 -8.732 0.452 1.00 23.51 C ATOM 790 CG ASN A 55 1.534 -8.747 -1.067 1.00 22.23 C ATOM 791 OD1 ASN A 55 2.433 -9.268 -1.713 1.00 64.52 O ATOM 792 ND2 ASN A 55 0.492 -8.190 -1.652 1.00 41.45 N ATOM 0 H ASN A 55 4.204 -7.060 0.140 1.00 10.32 H new ATOM 0 HA ASN A 55 2.055 -6.638 0.500 1.00 32.24 H new ATOM 0 HB2 ASN A 55 1.993 -9.664 0.813 1.00 23.51 H new ATOM 0 HB3 ASN A 55 0.535 -8.691 0.827 1.00 23.51 H new ATOM 0 HD21 ASN A 55 0.420 -8.186 -2.669 1.00 41.45 H new ATOM 0 HD22 ASN A 55 -0.242 -7.763 -1.087 1.00 41.45 H new ATOM 799 N PRO A 56 2.540 -6.244 3.126 1.00 50.53 N ATOM 800 CA PRO A 56 2.269 -5.898 4.538 1.00 21.12 C ATOM 801 C PRO A 56 0.785 -5.588 4.789 1.00 54.42 C ATOM 802 O PRO A 56 0.315 -5.581 5.929 1.00 5.23 O ATOM 803 CB PRO A 56 3.137 -4.648 4.778 1.00 50.33 C ATOM 804 CG PRO A 56 3.330 -4.061 3.420 1.00 63.32 C ATOM 805 CD PRO A 56 3.396 -5.229 2.476 1.00 71.20 C ATOM 0 HA PRO A 56 2.501 -6.723 5.211 1.00 21.12 H new ATOM 0 HB2 PRO A 56 2.643 -3.944 5.448 1.00 50.33 H new ATOM 0 HB3 PRO A 56 4.091 -4.909 5.237 1.00 50.33 H new ATOM 0 HG2 PRO A 56 2.507 -3.395 3.161 1.00 63.32 H new ATOM 0 HG3 PRO A 56 4.245 -3.470 3.376 1.00 63.32 H new ATOM 0 HD2 PRO A 56 3.026 -4.966 1.485 1.00 71.20 H new ATOM 0 HD3 PRO A 56 4.418 -5.586 2.350 1.00 71.20 H new ATOM 813 N CYS A 57 0.057 -5.329 3.706 1.00 11.24 N ATOM 814 CA CYS A 57 -1.363 -4.976 3.783 1.00 51.45 C ATOM 815 C CYS A 57 -2.229 -6.245 3.797 1.00 22.24 C ATOM 816 O CYS A 57 -1.886 -7.229 3.145 1.00 44.10 O ATOM 817 CB CYS A 57 -1.742 -4.116 2.573 1.00 10.53 C ATOM 818 SG CYS A 57 -0.478 -2.877 2.128 1.00 24.20 S ATOM 0 H CYS A 57 0.428 -5.357 2.756 1.00 11.24 H new ATOM 0 HA CYS A 57 -1.538 -4.418 4.703 1.00 51.45 H new ATOM 0 HB2 CYS A 57 -1.917 -4.767 1.716 1.00 10.53 H new ATOM 0 HB3 CYS A 57 -2.682 -3.604 2.782 1.00 10.53 H new ATOM 823 N PRO A 58 -3.364 -6.232 4.536 1.00 31.55 N ATOM 824 CA PRO A 58 -4.254 -7.408 4.677 1.00 40.12 C ATOM 825 C PRO A 58 -4.494 -8.177 3.358 1.00 13.23 C ATOM 826 O PRO A 58 -4.711 -7.568 2.308 1.00 31.03 O ATOM 827 CB PRO A 58 -5.558 -6.775 5.177 1.00 73.31 C ATOM 828 CG PRO A 58 -5.112 -5.604 5.987 1.00 2.34 C ATOM 829 CD PRO A 58 -3.874 -5.071 5.305 1.00 51.02 C ATOM 0 HA PRO A 58 -3.824 -8.161 5.338 1.00 40.12 H new ATOM 0 HB2 PRO A 58 -6.194 -6.466 4.347 1.00 73.31 H new ATOM 0 HB3 PRO A 58 -6.136 -7.477 5.778 1.00 73.31 H new ATOM 0 HG2 PRO A 58 -5.890 -4.842 6.033 1.00 2.34 H new ATOM 0 HG3 PRO A 58 -4.895 -5.900 7.013 1.00 2.34 H new ATOM 0 HD2 PRO A 58 -4.108 -4.230 4.652 1.00 51.02 H new ATOM 0 HD3 PRO A 58 -3.140 -4.717 6.029 1.00 51.02 H new ATOM 837 N PRO A 59 -4.461 -9.530 3.401 1.00 31.14 N ATOM 838 CA PRO A 59 -4.659 -10.378 2.209 1.00 15.42 C ATOM 839 C PRO A 59 -5.864 -9.948 1.354 1.00 31.01 C ATOM 840 O PRO A 59 -6.975 -9.778 1.860 1.00 62.41 O ATOM 841 CB PRO A 59 -4.885 -11.766 2.812 1.00 21.44 C ATOM 842 CG PRO A 59 -4.098 -11.745 4.077 1.00 23.44 C ATOM 843 CD PRO A 59 -4.221 -10.341 4.613 1.00 2.54 C ATOM 0 HA PRO A 59 -3.813 -10.321 1.523 1.00 15.42 H new ATOM 0 HB2 PRO A 59 -5.942 -11.950 3.003 1.00 21.44 H new ATOM 0 HB3 PRO A 59 -4.540 -12.553 2.141 1.00 21.44 H new ATOM 0 HG2 PRO A 59 -4.486 -12.472 4.791 1.00 23.44 H new ATOM 0 HG3 PRO A 59 -3.055 -12.004 3.893 1.00 23.44 H new ATOM 0 HD2 PRO A 59 -5.042 -10.253 5.324 1.00 2.54 H new ATOM 0 HD3 PRO A 59 -3.315 -10.029 5.132 1.00 2.54 H new ATOM 851 N GLY A 60 -5.640 -9.793 0.052 1.00 11.53 N ATOM 852 CA GLY A 60 -6.663 -9.241 -0.833 1.00 13.12 C ATOM 853 C GLY A 60 -6.338 -7.812 -1.255 1.00 11.03 C ATOM 854 O GLY A 60 -6.852 -7.317 -2.264 1.00 10.53 O ATOM 0 H GLY A 60 -4.766 -10.040 -0.412 1.00 11.53 H new ATOM 0 HA2 GLY A 60 -6.754 -9.869 -1.719 1.00 13.12 H new ATOM 0 HA3 GLY A 60 -7.629 -9.260 -0.328 1.00 13.12 H new ATOM 858 N TYR A 61 -5.502 -7.144 -0.458 1.00 55.31 N ATOM 859 CA TYR A 61 -4.958 -5.824 -0.799 1.00 62.24 C ATOM 860 C TYR A 61 -3.511 -5.954 -1.294 1.00 52.25 C ATOM 861 O TYR A 61 -2.857 -6.979 -1.082 1.00 62.41 O ATOM 862 CB TYR A 61 -4.982 -4.890 0.423 1.00 24.43 C ATOM 863 CG TYR A 61 -6.369 -4.565 0.949 1.00 52.34 C ATOM 864 CD1 TYR A 61 -7.096 -5.498 1.683 1.00 55.50 C ATOM 865 CD2 TYR A 61 -6.945 -3.317 0.724 1.00 4.12 C ATOM 866 CE1 TYR A 61 -8.352 -5.197 2.170 1.00 5.13 C ATOM 867 CE2 TYR A 61 -8.199 -3.011 1.213 1.00 2.21 C ATOM 868 CZ TYR A 61 -8.897 -3.953 1.933 1.00 33.42 C ATOM 869 OH TYR A 61 -10.143 -3.648 2.426 1.00 72.13 O ATOM 0 H TYR A 61 -5.182 -7.501 0.442 1.00 55.31 H new ATOM 0 HA TYR A 61 -5.581 -5.402 -1.588 1.00 62.24 H new ATOM 0 HB2 TYR A 61 -4.403 -5.349 1.225 1.00 24.43 H new ATOM 0 HB3 TYR A 61 -4.481 -3.958 0.161 1.00 24.43 H new ATOM 0 HD1 TYR A 61 -6.671 -6.472 1.874 1.00 55.50 H new ATOM 0 HD2 TYR A 61 -6.401 -2.576 0.157 1.00 4.12 H new ATOM 0 HE1 TYR A 61 -8.905 -5.933 2.734 1.00 5.13 H new ATOM 0 HE2 TYR A 61 -8.630 -2.037 1.031 1.00 2.21 H new ATOM 0 HH TYR A 61 -10.380 -2.732 2.171 1.00 72.13 H new ATOM 879 N GLU A 62 -3.009 -4.917 -1.950 1.00 25.12 N ATOM 880 CA GLU A 62 -1.613 -4.882 -2.386 1.00 31.21 C ATOM 881 C GLU A 62 -1.005 -3.483 -2.194 1.00 12.42 C ATOM 882 O GLU A 62 -1.678 -2.469 -2.400 1.00 50.04 O ATOM 883 CB GLU A 62 -1.491 -5.323 -3.854 1.00 31.53 C ATOM 884 CG GLU A 62 -2.297 -4.479 -4.837 1.00 51.24 C ATOM 885 CD GLU A 62 -2.105 -4.929 -6.277 1.00 4.35 C ATOM 886 OE1 GLU A 62 -2.742 -5.922 -6.688 1.00 4.12 O ATOM 887 OE2 GLU A 62 -1.296 -4.309 -7.000 1.00 13.42 O ATOM 0 H GLU A 62 -3.546 -4.085 -2.194 1.00 25.12 H new ATOM 0 HA GLU A 62 -1.053 -5.582 -1.765 1.00 31.21 H new ATOM 0 HB2 GLU A 62 -0.441 -5.291 -4.144 1.00 31.53 H new ATOM 0 HB3 GLU A 62 -1.813 -6.361 -3.936 1.00 31.53 H new ATOM 0 HG2 GLU A 62 -3.355 -4.536 -4.579 1.00 51.24 H new ATOM 0 HG3 GLU A 62 -2.001 -3.434 -4.743 1.00 51.24 H new ATOM 894 N PRO A 63 0.271 -3.407 -1.767 1.00 51.43 N ATOM 895 CA PRO A 63 0.974 -2.123 -1.622 1.00 11.23 C ATOM 896 C PRO A 63 1.338 -1.509 -2.984 1.00 25.12 C ATOM 897 O PRO A 63 1.945 -2.169 -3.835 1.00 31.14 O ATOM 898 CB PRO A 63 2.234 -2.498 -0.827 1.00 34.12 C ATOM 899 CG PRO A 63 2.480 -3.932 -1.162 1.00 41.04 C ATOM 900 CD PRO A 63 1.122 -4.552 -1.381 1.00 0.45 C ATOM 0 HA PRO A 63 0.363 -1.366 -1.130 1.00 11.23 H new ATOM 0 HB2 PRO A 63 3.082 -1.874 -1.111 1.00 34.12 H new ATOM 0 HB3 PRO A 63 2.082 -2.362 0.244 1.00 34.12 H new ATOM 0 HG2 PRO A 63 3.098 -4.023 -2.055 1.00 41.04 H new ATOM 0 HG3 PRO A 63 3.012 -4.435 -0.354 1.00 41.04 H new ATOM 0 HD2 PRO A 63 1.150 -5.311 -2.163 1.00 0.45 H new ATOM 0 HD3 PRO A 63 0.753 -5.038 -0.478 1.00 0.45 H new ATOM 908 N ASP A 64 0.967 -0.250 -3.187 1.00 54.11 N ATOM 909 CA ASP A 64 1.184 0.419 -4.472 1.00 23.22 C ATOM 910 C ASP A 64 2.613 0.982 -4.574 1.00 41.23 C ATOM 911 O ASP A 64 3.104 1.636 -3.649 1.00 43.21 O ATOM 912 CB ASP A 64 0.147 1.538 -4.656 1.00 0.43 C ATOM 913 CG ASP A 64 0.193 2.178 -6.035 1.00 70.25 C ATOM 914 OD1 ASP A 64 0.484 1.464 -7.014 1.00 54.03 O ATOM 915 OD2 ASP A 64 -0.099 3.391 -6.150 1.00 61.13 O ATOM 0 H ASP A 64 0.515 0.331 -2.481 1.00 54.11 H new ATOM 0 HA ASP A 64 1.063 -0.315 -5.268 1.00 23.22 H new ATOM 0 HB2 ASP A 64 -0.850 1.132 -4.484 1.00 0.43 H new ATOM 0 HB3 ASP A 64 0.313 2.306 -3.901 1.00 0.43 H new ATOM 920 N ASP A 65 3.279 0.721 -5.697 1.00 1.34 N ATOM 921 CA ASP A 65 4.643 1.207 -5.916 1.00 60.25 C ATOM 922 C ASP A 65 4.631 2.659 -6.418 1.00 73.23 C ATOM 923 O ASP A 65 4.213 2.943 -7.541 1.00 0.22 O ATOM 924 CB ASP A 65 5.381 0.298 -6.907 1.00 3.11 C ATOM 925 CG ASP A 65 5.575 -1.108 -6.363 1.00 20.24 C ATOM 926 OD1 ASP A 65 6.386 -1.285 -5.427 1.00 10.41 O ATOM 927 OD2 ASP A 65 4.919 -2.045 -6.863 1.00 32.44 O ATOM 0 H ASP A 65 2.898 0.176 -6.470 1.00 1.34 H new ATOM 0 HA ASP A 65 5.173 1.183 -4.964 1.00 60.25 H new ATOM 0 HB2 ASP A 65 4.820 0.250 -7.840 1.00 3.11 H new ATOM 0 HB3 ASP A 65 6.353 0.732 -7.141 1.00 3.11 H new ATOM 932 N GLN A 66 5.102 3.571 -5.576 1.00 74.13 N ATOM 933 CA GLN A 66 5.088 5.003 -5.883 1.00 63.11 C ATOM 934 C GLN A 66 6.495 5.557 -6.102 1.00 75.32 C ATOM 935 O GLN A 66 7.292 5.684 -5.170 1.00 2.40 O ATOM 936 CB GLN A 66 4.374 5.778 -4.763 1.00 71.13 C ATOM 937 CG GLN A 66 4.865 5.432 -3.357 1.00 12.23 C ATOM 938 CD GLN A 66 4.225 6.283 -2.270 1.00 55.21 C ATOM 939 OE1 GLN A 66 3.991 5.818 -1.160 1.00 72.34 O ATOM 940 NE2 GLN A 66 3.972 7.543 -2.560 1.00 52.33 N ATOM 0 H GLN A 66 5.503 3.345 -4.666 1.00 74.13 H new ATOM 0 HA GLN A 66 4.540 5.134 -6.816 1.00 63.11 H new ATOM 0 HB2 GLN A 66 4.509 6.846 -4.931 1.00 71.13 H new ATOM 0 HB3 GLN A 66 3.304 5.579 -4.822 1.00 71.13 H new ATOM 0 HG2 GLN A 66 4.657 4.381 -3.155 1.00 12.23 H new ATOM 0 HG3 GLN A 66 5.947 5.557 -3.317 1.00 12.23 H new ATOM 0 HE21 GLN A 66 4.177 7.903 -3.492 1.00 52.33 H new ATOM 0 HE22 GLN A 66 3.571 8.159 -1.852 1.00 52.33 H new ATOM 949 N ASP A 67 6.800 5.856 -7.358 1.00 45.43 N ATOM 950 CA ASP A 67 8.018 6.570 -7.709 1.00 2.22 C ATOM 951 C ASP A 67 7.760 8.084 -7.637 1.00 73.31 C ATOM 952 O ASP A 67 6.765 8.524 -7.053 1.00 51.12 O ATOM 953 CB ASP A 67 8.466 6.161 -9.117 1.00 11.41 C ATOM 954 CG ASP A 67 8.651 4.660 -9.246 1.00 4.12 C ATOM 955 OD1 ASP A 67 7.669 3.962 -9.568 1.00 4.52 O ATOM 956 OD2 ASP A 67 9.779 4.168 -9.022 1.00 34.25 O ATOM 0 H ASP A 67 6.214 5.612 -8.156 1.00 45.43 H new ATOM 0 HA ASP A 67 8.812 6.317 -7.007 1.00 2.22 H new ATOM 0 HB2 ASP A 67 7.727 6.498 -9.844 1.00 11.41 H new ATOM 0 HB3 ASP A 67 9.403 6.663 -9.359 1.00 11.41 H new ATOM 961 N SER A 68 8.646 8.876 -8.222 1.00 74.35 N ATOM 962 CA SER A 68 8.472 10.340 -8.240 1.00 33.54 C ATOM 963 C SER A 68 9.526 11.061 -9.094 1.00 11.25 C ATOM 964 O SER A 68 10.634 10.568 -9.316 1.00 55.05 O ATOM 965 CB SER A 68 8.502 10.920 -6.815 1.00 73.42 C ATOM 966 OG SER A 68 9.779 10.752 -6.211 1.00 50.24 O ATOM 0 H SER A 68 9.489 8.544 -8.690 1.00 74.35 H new ATOM 0 HA SER A 68 7.496 10.514 -8.693 1.00 33.54 H new ATOM 0 HB2 SER A 68 8.250 11.980 -6.847 1.00 73.42 H new ATOM 0 HB3 SER A 68 7.743 10.430 -6.205 1.00 73.42 H new ATOM 0 HG SER A 68 9.766 11.132 -5.308 1.00 50.24 H new ATOM 972 N CYS A 69 9.149 12.243 -9.565 1.00 44.13 N ATOM 973 CA CYS A 69 10.031 13.131 -10.332 1.00 34.23 C ATOM 974 C CYS A 69 9.546 14.581 -10.187 1.00 2.43 C ATOM 975 O CYS A 69 8.444 14.822 -9.690 1.00 20.31 O ATOM 976 CB CYS A 69 10.064 12.731 -11.815 1.00 31.23 C ATOM 977 SG CYS A 69 8.448 12.834 -12.654 1.00 43.33 S ATOM 0 H CYS A 69 8.212 12.622 -9.427 1.00 44.13 H new ATOM 0 HA CYS A 69 11.043 13.042 -9.938 1.00 34.23 H new ATOM 0 HB2 CYS A 69 10.773 13.373 -12.337 1.00 31.23 H new ATOM 0 HB3 CYS A 69 10.438 11.711 -11.896 1.00 31.23 H new ATOM 982 N VAL A 70 10.356 15.545 -10.610 1.00 52.03 N ATOM 983 CA VAL A 70 10.006 16.962 -10.453 1.00 12.32 C ATOM 984 C VAL A 70 9.580 17.603 -11.785 1.00 4.43 C ATOM 985 O VAL A 70 10.421 18.051 -12.572 1.00 22.42 O ATOM 986 CB VAL A 70 11.182 17.771 -9.845 1.00 3.42 C ATOM 987 CG1 VAL A 70 10.787 19.230 -9.612 1.00 31.44 C ATOM 988 CG2 VAL A 70 11.670 17.121 -8.548 1.00 33.55 C ATOM 0 H VAL A 70 11.255 15.379 -11.062 1.00 52.03 H new ATOM 0 HA VAL A 70 9.158 16.994 -9.769 1.00 12.32 H new ATOM 0 HB VAL A 70 12.004 17.762 -10.561 1.00 3.42 H new ATOM 0 HG11 VAL A 70 11.631 19.772 -9.185 1.00 31.44 H new ATOM 0 HG12 VAL A 70 10.505 19.687 -10.561 1.00 31.44 H new ATOM 0 HG13 VAL A 70 9.943 19.273 -8.924 1.00 31.44 H new ATOM 0 HG21 VAL A 70 12.495 17.703 -8.137 1.00 33.55 H new ATOM 0 HG22 VAL A 70 10.853 17.090 -7.827 1.00 33.55 H new ATOM 0 HG23 VAL A 70 12.010 16.106 -8.755 1.00 33.55 H new ATOM 998 N ASP A 71 8.271 17.629 -12.034 1.00 65.03 N ATOM 999 CA ASP A 71 7.711 18.326 -13.198 1.00 1.45 C ATOM 1000 C ASP A 71 7.596 19.841 -12.940 1.00 42.53 C ATOM 1001 O ASP A 71 8.443 20.605 -13.461 1.00 36.80 O ATOM 1002 CB ASP A 71 6.341 17.737 -13.571 1.00 35.02 C ATOM 1003 CG ASP A 71 6.465 16.415 -14.308 1.00 62.05 C ATOM 1004 OD1 ASP A 71 6.923 16.432 -15.469 1.00 73.24 O ATOM 1005 OD2 ASP A 71 6.098 15.364 -13.745 1.00 25.32 O ATOM 1006 OXT ASP A 71 6.675 20.260 -12.200 1.00 36.80 O ATOM 0 H ASP A 71 7.574 17.174 -11.444 1.00 65.03 H new ATOM 0 HA ASP A 71 8.393 18.180 -14.036 1.00 1.45 H new ATOM 0 HB2 ASP A 71 5.751 17.592 -12.666 1.00 35.02 H new ATOM 0 HB3 ASP A 71 5.799 18.449 -14.194 1.00 35.02 H new TER 1011 ASP A 71