USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 473 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 135:sc= 0.0348 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 53:sc= 1.11 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -51:sc= 0.0899 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 147:sc= -0.282 (180deg=-0.598) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= -7.53! C(o=-7.5!,f=-13!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0532 X(o=-0.053,f=-0.053) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.589 F(o=-4.7!,f=-0.59) USER MOD Single : A 58 ASN : amide:sc= -0.894 K(o=-0.89,f=-3.6!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -1.11 USER MOD Single : A 71 SER OG : rot -54:sc= 0.269 USER MOD Single : A 72 SER OG : rot 178:sc= -0.207 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.719 1.331 -22.321 1.00 0.00 N ATOM 2 CA GLY A 1 0.274 0.452 -21.732 1.00 0.00 C ATOM 3 C GLY A 1 -0.124 -1.008 -21.815 1.00 0.00 C ATOM 4 O GLY A 1 -1.310 -1.338 -21.802 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.882 2.142 -21.691 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.378 1.671 -23.243 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.610 0.810 -22.452 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.228 0.595 -22.239 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.424 0.726 -20.688 1.00 0.00 H new ATOM 8 N SER A 2 0.870 -1.887 -21.901 1.00 0.00 N ATOM 9 CA SER A 2 0.618 -3.320 -21.992 1.00 0.00 C ATOM 10 C SER A 2 1.173 -4.048 -20.771 1.00 0.00 C ATOM 11 O SER A 2 2.287 -4.572 -20.800 1.00 0.00 O ATOM 12 CB SER A 2 1.243 -3.889 -23.267 1.00 0.00 C ATOM 13 OG SER A 2 2.457 -3.228 -23.579 1.00 0.00 O ATOM 0 H SER A 2 1.857 -1.631 -21.910 1.00 0.00 H new ATOM 0 HA SER A 2 -0.461 -3.473 -22.025 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.428 -4.956 -23.140 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.544 -3.783 -24.097 1.00 0.00 H new ATOM 0 HG SER A 2 2.837 -3.611 -24.397 1.00 0.00 H new ATOM 19 N SER A 3 0.388 -4.075 -19.699 1.00 0.00 N ATOM 20 CA SER A 3 0.801 -4.735 -18.465 1.00 0.00 C ATOM 21 C SER A 3 -0.148 -5.877 -18.116 1.00 0.00 C ATOM 22 O SER A 3 -1.089 -5.702 -17.343 1.00 0.00 O ATOM 23 CB SER A 3 0.851 -3.727 -17.315 1.00 0.00 C ATOM 24 OG SER A 3 -0.438 -3.209 -17.035 1.00 0.00 O ATOM 0 H SER A 3 -0.537 -3.648 -19.659 1.00 0.00 H new ATOM 0 HA SER A 3 1.798 -5.149 -18.619 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.255 -4.207 -16.424 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.527 -2.911 -17.572 1.00 0.00 H new ATOM 0 HG SER A 3 -1.065 -3.949 -16.898 1.00 0.00 H new ATOM 30 N GLY A 4 0.107 -7.048 -18.692 1.00 0.00 N ATOM 31 CA GLY A 4 -0.733 -8.202 -18.430 1.00 0.00 C ATOM 32 C GLY A 4 -2.206 -7.847 -18.379 1.00 0.00 C ATOM 33 O GLY A 4 -2.718 -7.162 -19.264 1.00 0.00 O ATOM 0 H GLY A 4 0.880 -7.218 -19.335 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.569 -8.950 -19.206 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.438 -8.655 -17.483 1.00 0.00 H new ATOM 37 N SER A 5 -2.891 -8.316 -17.341 1.00 0.00 N ATOM 38 CA SER A 5 -4.315 -8.049 -17.180 1.00 0.00 C ATOM 39 C SER A 5 -4.553 -6.604 -16.755 1.00 0.00 C ATOM 40 O SER A 5 -3.672 -5.961 -16.184 1.00 0.00 O ATOM 41 CB SER A 5 -4.922 -9.003 -16.149 1.00 0.00 C ATOM 42 OG SER A 5 -4.378 -10.305 -16.277 1.00 0.00 O ATOM 0 H SER A 5 -2.482 -8.883 -16.598 1.00 0.00 H new ATOM 0 HA SER A 5 -4.800 -8.210 -18.143 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.735 -8.624 -15.144 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.004 -9.043 -16.278 1.00 0.00 H new ATOM 0 HG SER A 5 -4.781 -10.895 -15.606 1.00 0.00 H new ATOM 48 N SER A 6 -5.749 -6.099 -17.037 1.00 0.00 N ATOM 49 CA SER A 6 -6.103 -4.729 -16.687 1.00 0.00 C ATOM 50 C SER A 6 -6.785 -4.675 -15.324 1.00 0.00 C ATOM 51 O SER A 6 -7.447 -3.694 -14.986 1.00 0.00 O ATOM 52 CB SER A 6 -7.021 -4.128 -17.753 1.00 0.00 C ATOM 53 OG SER A 6 -6.997 -2.712 -17.709 1.00 0.00 O ATOM 0 H SER A 6 -6.490 -6.619 -17.507 1.00 0.00 H new ATOM 0 HA SER A 6 -5.184 -4.145 -16.638 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.709 -4.469 -18.740 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.041 -4.482 -17.601 1.00 0.00 H new ATOM 0 HG SER A 6 -7.153 -2.411 -16.790 1.00 0.00 H new ATOM 59 N GLY A 7 -6.619 -5.738 -14.543 1.00 0.00 N ATOM 60 CA GLY A 7 -7.224 -5.793 -13.225 1.00 0.00 C ATOM 61 C GLY A 7 -8.730 -5.626 -13.271 1.00 0.00 C ATOM 62 O GLY A 7 -9.299 -5.362 -14.330 1.00 0.00 O ATOM 0 H GLY A 7 -6.076 -6.562 -14.800 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.981 -6.747 -12.757 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.794 -5.012 -12.598 1.00 0.00 H new ATOM 66 N GLU A 8 -9.377 -5.784 -12.121 1.00 0.00 N ATOM 67 CA GLU A 8 -10.827 -5.652 -12.036 1.00 0.00 C ATOM 68 C GLU A 8 -11.223 -4.220 -11.687 1.00 0.00 C ATOM 69 O GLU A 8 -10.418 -3.454 -11.157 1.00 0.00 O ATOM 70 CB GLU A 8 -11.389 -6.617 -10.991 1.00 0.00 C ATOM 71 CG GLU A 8 -12.903 -6.742 -11.029 1.00 0.00 C ATOM 72 CD GLU A 8 -13.424 -7.813 -10.091 1.00 0.00 C ATOM 73 OE1 GLU A 8 -12.600 -8.586 -9.557 1.00 0.00 O ATOM 74 OE2 GLU A 8 -14.655 -7.880 -9.891 1.00 0.00 O ATOM 0 H GLU A 8 -8.921 -6.003 -11.236 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.246 -5.900 -13.011 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.948 -7.602 -11.144 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.085 -6.282 -9.999 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.350 -5.784 -10.764 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.219 -6.970 -12.047 1.00 0.00 H new ATOM 81 N ILE A 9 -12.468 -3.867 -11.989 1.00 0.00 N ATOM 82 CA ILE A 9 -12.971 -2.528 -11.707 1.00 0.00 C ATOM 83 C ILE A 9 -13.754 -2.500 -10.398 1.00 0.00 C ATOM 84 O ILE A 9 -14.731 -3.230 -10.232 1.00 0.00 O ATOM 85 CB ILE A 9 -13.875 -2.015 -12.844 1.00 0.00 C ATOM 86 CG1 ILE A 9 -13.360 -2.512 -14.196 1.00 0.00 C ATOM 87 CG2 ILE A 9 -13.942 -0.496 -12.822 1.00 0.00 C ATOM 88 CD1 ILE A 9 -14.130 -1.958 -15.375 1.00 0.00 C ATOM 0 H ILE A 9 -13.146 -4.489 -12.429 1.00 0.00 H new ATOM 0 HA ILE A 9 -12.102 -1.875 -11.622 1.00 0.00 H new ATOM 0 HB ILE A 9 -14.882 -2.405 -12.694 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -12.309 -2.240 -14.298 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.411 -3.601 -14.218 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.584 -0.148 -13.631 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -14.349 -0.164 -11.867 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.941 -0.086 -12.952 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -13.711 -2.352 -16.301 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.177 -2.252 -15.296 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.058 -0.870 -15.378 1.00 0.00 H new ATOM 100 N GLU A 10 -13.319 -1.650 -9.473 1.00 0.00 N ATOM 101 CA GLU A 10 -13.981 -1.526 -8.179 1.00 0.00 C ATOM 102 C GLU A 10 -14.507 -0.109 -7.971 1.00 0.00 C ATOM 103 O GLU A 10 -13.766 0.866 -8.097 1.00 0.00 O ATOM 104 CB GLU A 10 -13.015 -1.894 -7.051 1.00 0.00 C ATOM 105 CG GLU A 10 -12.790 -3.389 -6.906 1.00 0.00 C ATOM 106 CD GLU A 10 -11.997 -3.742 -5.662 1.00 0.00 C ATOM 107 OE1 GLU A 10 -11.219 -2.886 -5.191 1.00 0.00 O ATOM 108 OE2 GLU A 10 -12.154 -4.874 -5.160 1.00 0.00 O ATOM 0 H GLU A 10 -12.512 -1.038 -9.595 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.826 -2.214 -8.164 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.057 -1.407 -7.231 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.401 -1.500 -6.111 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.754 -3.896 -6.874 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.264 -3.760 -7.785 1.00 0.00 H new ATOM 115 N LYS A 11 -15.793 -0.003 -7.653 1.00 0.00 N ATOM 116 CA LYS A 11 -16.421 1.293 -7.427 1.00 0.00 C ATOM 117 C LYS A 11 -16.217 1.753 -5.987 1.00 0.00 C ATOM 118 O LYS A 11 -16.125 2.949 -5.713 1.00 0.00 O ATOM 119 CB LYS A 11 -17.917 1.221 -7.743 1.00 0.00 C ATOM 120 CG LYS A 11 -18.232 1.347 -9.224 1.00 0.00 C ATOM 121 CD LYS A 11 -18.108 2.785 -9.699 1.00 0.00 C ATOM 122 CE LYS A 11 -18.430 2.912 -11.180 1.00 0.00 C ATOM 123 NZ LYS A 11 -17.769 4.099 -11.792 1.00 0.00 N ATOM 0 H LYS A 11 -16.421 -0.800 -7.546 1.00 0.00 H new ATOM 0 HA LYS A 11 -15.950 2.017 -8.092 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -18.312 0.274 -7.375 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -18.433 2.014 -7.201 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -17.554 0.714 -9.796 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -19.243 0.986 -9.414 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -18.782 3.419 -9.123 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -17.096 3.145 -9.513 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -18.109 2.009 -11.700 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -19.509 2.989 -11.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -18.013 4.150 -12.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -18.094 4.963 -11.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.738 4.013 -11.689 1.00 0.00 H new ATOM 137 N GLY A 12 -16.147 0.793 -5.068 1.00 0.00 N ATOM 138 CA GLY A 12 -15.953 1.120 -3.668 1.00 0.00 C ATOM 139 C GLY A 12 -14.521 0.912 -3.217 1.00 0.00 C ATOM 140 O GLY A 12 -14.274 0.358 -2.146 1.00 0.00 O ATOM 0 H GLY A 12 -16.221 -0.204 -5.269 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -16.237 2.159 -3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -16.615 0.505 -3.059 1.00 0.00 H new ATOM 144 N GLY A 13 -13.573 1.356 -4.037 1.00 0.00 N ATOM 145 CA GLY A 13 -12.170 1.204 -3.700 1.00 0.00 C ATOM 146 C GLY A 13 -11.253 1.750 -4.777 1.00 0.00 C ATOM 147 O GLY A 13 -11.711 2.367 -5.739 1.00 0.00 O ATOM 0 H GLY A 13 -13.752 1.818 -4.929 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.968 1.717 -2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.950 0.148 -3.540 1.00 0.00 H new ATOM 151 N CYS A 14 -9.953 1.524 -4.615 1.00 0.00 N ATOM 152 CA CYS A 14 -8.968 1.999 -5.579 1.00 0.00 C ATOM 153 C CYS A 14 -8.345 0.832 -6.340 1.00 0.00 C ATOM 154 O CYS A 14 -7.165 0.862 -6.685 1.00 0.00 O ATOM 155 CB CYS A 14 -7.876 2.802 -4.871 1.00 0.00 C ATOM 156 SG CYS A 14 -8.489 4.270 -3.983 1.00 0.00 S ATOM 0 H CYS A 14 -9.558 1.015 -3.825 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.478 2.645 -6.294 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.362 2.151 -4.164 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.137 3.118 -5.607 1.00 0.00 H new ATOM 161 N GLY A 15 -9.148 -0.195 -6.598 1.00 0.00 N ATOM 162 CA GLY A 15 -8.659 -1.358 -7.316 1.00 0.00 C ATOM 163 C GLY A 15 -7.295 -1.807 -6.831 1.00 0.00 C ATOM 164 O GLY A 15 -6.939 -1.591 -5.672 1.00 0.00 O ATOM 0 H GLY A 15 -10.129 -0.243 -6.323 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.369 -2.177 -7.202 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.605 -1.128 -8.380 1.00 0.00 H new ATOM 168 N ASP A 16 -6.530 -2.434 -7.717 1.00 0.00 N ATOM 169 CA ASP A 16 -5.197 -2.915 -7.373 1.00 0.00 C ATOM 170 C ASP A 16 -4.149 -1.836 -7.621 1.00 0.00 C ATOM 171 O ASP A 16 -4.239 -1.054 -8.567 1.00 0.00 O ATOM 172 CB ASP A 16 -4.859 -4.168 -8.183 1.00 0.00 C ATOM 173 CG ASP A 16 -6.056 -5.081 -8.364 1.00 0.00 C ATOM 174 OD1 ASP A 16 -7.109 -4.595 -8.827 1.00 0.00 O ATOM 175 OD2 ASP A 16 -5.939 -6.282 -8.044 1.00 0.00 O ATOM 0 H ASP A 16 -6.810 -2.621 -8.680 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.190 -3.165 -6.312 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.479 -3.873 -9.161 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.060 -4.716 -7.683 1.00 0.00 H new ATOM 180 N PRO A 17 -3.130 -1.789 -6.750 1.00 0.00 N ATOM 181 CA PRO A 17 -2.044 -0.809 -6.853 1.00 0.00 C ATOM 182 C PRO A 17 -1.138 -1.072 -8.050 1.00 0.00 C ATOM 183 O PRO A 17 -0.861 -0.172 -8.841 1.00 0.00 O ATOM 184 CB PRO A 17 -1.271 -0.997 -5.545 1.00 0.00 C ATOM 185 CG PRO A 17 -1.557 -2.400 -5.134 1.00 0.00 C ATOM 186 CD PRO A 17 -2.958 -2.690 -5.598 1.00 0.00 C ATOM 0 HA PRO A 17 -2.421 0.203 -6.999 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.203 -0.837 -5.690 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -1.599 -0.287 -4.786 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.845 -3.092 -5.585 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.472 -2.515 -4.053 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.078 -3.735 -5.884 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.690 -2.487 -4.816 1.00 0.00 H new ATOM 194 N GLY A 18 -0.678 -2.313 -8.177 1.00 0.00 N ATOM 195 CA GLY A 18 0.193 -2.672 -9.282 1.00 0.00 C ATOM 196 C GLY A 18 1.534 -3.201 -8.814 1.00 0.00 C ATOM 197 O GLY A 18 2.363 -2.447 -8.303 1.00 0.00 O ATOM 0 H GLY A 18 -0.893 -3.076 -7.535 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.297 -3.427 -9.897 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.351 -1.799 -9.915 1.00 0.00 H new ATOM 201 N ILE A 19 1.749 -4.501 -8.987 1.00 0.00 N ATOM 202 CA ILE A 19 2.999 -5.130 -8.578 1.00 0.00 C ATOM 203 C ILE A 19 4.072 -4.965 -9.648 1.00 0.00 C ATOM 204 O ILE A 19 3.816 -5.094 -10.845 1.00 0.00 O ATOM 205 CB ILE A 19 2.806 -6.630 -8.287 1.00 0.00 C ATOM 206 CG1 ILE A 19 1.798 -6.826 -7.152 1.00 0.00 C ATOM 207 CG2 ILE A 19 4.137 -7.277 -7.938 1.00 0.00 C ATOM 208 CD1 ILE A 19 1.192 -8.211 -7.115 1.00 0.00 C ATOM 0 H ILE A 19 1.074 -5.139 -9.408 1.00 0.00 H new ATOM 0 HA ILE A 19 3.320 -4.630 -7.664 1.00 0.00 H new ATOM 0 HB ILE A 19 2.414 -7.112 -9.183 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.292 -6.629 -6.200 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.999 -6.091 -7.255 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.984 -8.337 -7.735 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.827 -7.164 -8.774 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.555 -6.795 -7.054 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.487 -8.278 -6.286 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.669 -8.405 -8.052 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.982 -8.950 -6.981 1.00 0.00 H new ATOM 220 N PRO A 20 5.306 -4.675 -9.209 1.00 0.00 N ATOM 221 CA PRO A 20 6.445 -4.489 -10.113 1.00 0.00 C ATOM 222 C PRO A 20 6.880 -5.793 -10.773 1.00 0.00 C ATOM 223 O PRO A 20 6.447 -6.875 -10.377 1.00 0.00 O ATOM 224 CB PRO A 20 7.548 -3.963 -9.190 1.00 0.00 C ATOM 225 CG PRO A 20 7.187 -4.475 -7.839 1.00 0.00 C ATOM 226 CD PRO A 20 5.684 -4.508 -7.795 1.00 0.00 C ATOM 0 HA PRO A 20 6.205 -3.819 -10.938 1.00 0.00 H new ATOM 0 HB2 PRO A 20 8.529 -4.323 -9.501 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.589 -2.874 -9.203 1.00 0.00 H new ATOM 0 HG2 PRO A 20 7.604 -5.469 -7.674 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.586 -3.828 -7.057 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.318 -5.331 -7.181 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.274 -3.590 -7.375 1.00 0.00 H new ATOM 234 N ALA A 21 7.740 -5.683 -11.780 1.00 0.00 N ATOM 235 CA ALA A 21 8.235 -6.854 -12.493 1.00 0.00 C ATOM 236 C ALA A 21 9.151 -7.690 -11.606 1.00 0.00 C ATOM 237 O ALA A 21 10.032 -7.158 -10.930 1.00 0.00 O ATOM 238 CB ALA A 21 8.966 -6.431 -13.759 1.00 0.00 C ATOM 0 H ALA A 21 8.108 -4.795 -12.120 1.00 0.00 H new ATOM 0 HA ALA A 21 7.379 -7.469 -12.769 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.330 -7.315 -14.282 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.283 -5.882 -14.407 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.809 -5.792 -13.496 1.00 0.00 H new ATOM 244 N TYR A 22 8.937 -9.001 -11.612 1.00 0.00 N ATOM 245 CA TYR A 22 9.742 -9.911 -10.805 1.00 0.00 C ATOM 246 C TYR A 22 9.584 -9.605 -9.319 1.00 0.00 C ATOM 247 O TYR A 22 10.566 -9.390 -8.610 1.00 0.00 O ATOM 248 CB TYR A 22 11.216 -9.812 -11.204 1.00 0.00 C ATOM 249 CG TYR A 22 11.427 -9.518 -12.672 1.00 0.00 C ATOM 250 CD1 TYR A 22 11.407 -10.538 -13.615 1.00 0.00 C ATOM 251 CD2 TYR A 22 11.646 -8.220 -13.116 1.00 0.00 C ATOM 252 CE1 TYR A 22 11.601 -10.274 -14.957 1.00 0.00 C ATOM 253 CE2 TYR A 22 11.840 -7.946 -14.456 1.00 0.00 C ATOM 254 CZ TYR A 22 11.817 -8.977 -15.373 1.00 0.00 C ATOM 255 OH TYR A 22 12.009 -8.709 -16.709 1.00 0.00 O ATOM 0 H TYR A 22 8.213 -9.458 -12.167 1.00 0.00 H new ATOM 0 HA TYR A 22 9.391 -10.926 -10.988 1.00 0.00 H new ATOM 0 HB2 TYR A 22 11.692 -9.029 -10.613 1.00 0.00 H new ATOM 0 HB3 TYR A 22 11.715 -10.748 -10.954 1.00 0.00 H new ATOM 0 HD1 TYR A 22 11.237 -11.555 -13.293 1.00 0.00 H new ATOM 0 HD2 TYR A 22 11.665 -7.411 -12.401 1.00 0.00 H new ATOM 0 HE1 TYR A 22 11.584 -11.079 -15.677 1.00 0.00 H new ATOM 0 HE2 TYR A 22 12.009 -6.931 -14.784 1.00 0.00 H new ATOM 0 HH TYR A 22 12.146 -7.747 -16.833 1.00 0.00 H new ATOM 265 N GLY A 23 8.339 -9.587 -8.854 1.00 0.00 N ATOM 266 CA GLY A 23 8.073 -9.308 -7.455 1.00 0.00 C ATOM 267 C GLY A 23 6.648 -9.637 -7.058 1.00 0.00 C ATOM 268 O GLY A 23 5.769 -9.756 -7.913 1.00 0.00 O ATOM 0 H GLY A 23 7.509 -9.761 -9.421 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.761 -9.884 -6.836 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.269 -8.255 -7.254 1.00 0.00 H new ATOM 272 N LYS A 24 6.416 -9.787 -5.758 1.00 0.00 N ATOM 273 CA LYS A 24 5.088 -10.105 -5.249 1.00 0.00 C ATOM 274 C LYS A 24 4.684 -9.138 -4.140 1.00 0.00 C ATOM 275 O LYS A 24 5.469 -8.280 -3.736 1.00 0.00 O ATOM 276 CB LYS A 24 5.051 -11.542 -4.725 1.00 0.00 C ATOM 277 CG LYS A 24 6.217 -11.888 -3.815 1.00 0.00 C ATOM 278 CD LYS A 24 6.240 -13.370 -3.478 1.00 0.00 C ATOM 279 CE LYS A 24 6.172 -14.228 -4.732 1.00 0.00 C ATOM 280 NZ LYS A 24 7.122 -13.758 -5.778 1.00 0.00 N ATOM 0 H LYS A 24 7.132 -9.693 -5.037 1.00 0.00 H new ATOM 0 HA LYS A 24 4.378 -10.005 -6.070 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.119 -11.698 -4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.046 -12.229 -5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.153 -11.609 -4.299 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.148 -11.306 -2.896 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.149 -13.604 -2.925 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.400 -13.609 -2.826 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.397 -15.263 -4.476 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.157 -14.211 -5.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.471 -14.573 -6.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.635 -13.098 -6.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.924 -13.274 -5.326 1.00 0.00 H new ATOM 294 N ARG A 25 3.457 -9.285 -3.651 1.00 0.00 N ATOM 295 CA ARG A 25 2.950 -8.424 -2.589 1.00 0.00 C ATOM 296 C ARG A 25 1.900 -9.152 -1.754 1.00 0.00 C ATOM 297 O ARG A 25 1.339 -10.160 -2.184 1.00 0.00 O ATOM 298 CB ARG A 25 2.352 -7.147 -3.180 1.00 0.00 C ATOM 299 CG ARG A 25 0.876 -7.267 -3.522 1.00 0.00 C ATOM 300 CD ARG A 25 0.294 -5.931 -3.957 1.00 0.00 C ATOM 301 NE ARG A 25 0.965 -4.806 -3.310 1.00 0.00 N ATOM 302 CZ ARG A 25 0.907 -4.568 -2.005 1.00 0.00 C ATOM 303 NH1 ARG A 25 0.214 -5.372 -1.211 1.00 0.00 N ATOM 304 NH2 ARG A 25 1.544 -3.523 -1.491 1.00 0.00 N ATOM 0 H ARG A 25 2.796 -9.992 -3.973 1.00 0.00 H new ATOM 0 HA ARG A 25 3.785 -8.159 -1.941 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.487 -6.331 -2.470 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.904 -6.880 -4.081 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.744 -7.999 -4.319 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.330 -7.638 -2.655 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.382 -5.832 -5.039 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.770 -5.904 -3.720 1.00 0.00 H new ATOM 0 HE ARG A 25 1.508 -4.169 -3.893 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.277 -6.176 -1.602 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.171 -5.186 -0.209 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.079 -2.902 -2.099 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.499 -3.341 -0.488 1.00 0.00 H new ATOM 318 N THR A 26 1.640 -8.635 -0.558 1.00 0.00 N ATOM 319 CA THR A 26 0.660 -9.235 0.338 1.00 0.00 C ATOM 320 C THR A 26 -0.634 -8.430 0.356 1.00 0.00 C ATOM 321 O THR A 26 -0.625 -7.228 0.621 1.00 0.00 O ATOM 322 CB THR A 26 1.204 -9.345 1.775 1.00 0.00 C ATOM 323 OG1 THR A 26 2.579 -9.741 1.749 1.00 0.00 O ATOM 324 CG2 THR A 26 0.396 -10.348 2.584 1.00 0.00 C ATOM 0 H THR A 26 2.095 -7.801 -0.187 1.00 0.00 H new ATOM 0 HA THR A 26 0.456 -10.236 -0.042 1.00 0.00 H new ATOM 0 HB THR A 26 1.118 -8.367 2.249 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.918 -9.807 2.666 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.799 -10.409 3.595 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.645 -10.027 2.627 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.454 -11.328 2.111 1.00 0.00 H new ATOM 332 N GLY A 27 -1.748 -9.099 0.074 1.00 0.00 N ATOM 333 CA GLY A 27 -3.035 -8.429 0.064 1.00 0.00 C ATOM 334 C GLY A 27 -3.723 -8.514 -1.284 1.00 0.00 C ATOM 335 O GLY A 27 -3.064 -8.549 -2.323 1.00 0.00 O ATOM 0 H GLY A 27 -1.782 -10.094 -0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.678 -8.872 0.825 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.898 -7.382 0.333 1.00 0.00 H new ATOM 339 N SER A 28 -5.051 -8.549 -1.267 1.00 0.00 N ATOM 340 CA SER A 28 -5.829 -8.636 -2.498 1.00 0.00 C ATOM 341 C SER A 28 -6.917 -7.566 -2.530 1.00 0.00 C ATOM 342 O SER A 28 -7.218 -7.003 -3.582 1.00 0.00 O ATOM 343 CB SER A 28 -6.459 -10.024 -2.631 1.00 0.00 C ATOM 344 OG SER A 28 -7.025 -10.447 -1.402 1.00 0.00 O ATOM 0 H SER A 28 -5.611 -8.518 -0.415 1.00 0.00 H new ATOM 0 HA SER A 28 -5.154 -8.469 -3.338 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.229 -10.005 -3.402 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.703 -10.741 -2.953 1.00 0.00 H new ATOM 0 HG SER A 28 -7.423 -11.336 -1.514 1.00 0.00 H new ATOM 350 N SER A 29 -7.502 -7.292 -1.369 1.00 0.00 N ATOM 351 CA SER A 29 -8.559 -6.293 -1.263 1.00 0.00 C ATOM 352 C SER A 29 -7.983 -4.929 -0.895 1.00 0.00 C ATOM 353 O SER A 29 -7.046 -4.831 -0.102 1.00 0.00 O ATOM 354 CB SER A 29 -9.593 -6.721 -0.219 1.00 0.00 C ATOM 355 OG SER A 29 -10.615 -5.749 -0.085 1.00 0.00 O ATOM 0 H SER A 29 -7.262 -7.748 -0.488 1.00 0.00 H new ATOM 0 HA SER A 29 -9.046 -6.212 -2.235 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.031 -7.677 -0.507 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.102 -6.872 0.743 1.00 0.00 H new ATOM 0 HG SER A 29 -11.264 -6.047 0.586 1.00 0.00 H new ATOM 361 N PHE A 30 -8.550 -3.877 -1.477 1.00 0.00 N ATOM 362 CA PHE A 30 -8.093 -2.518 -1.212 1.00 0.00 C ATOM 363 C PHE A 30 -9.277 -1.574 -1.021 1.00 0.00 C ATOM 364 O PHE A 30 -9.960 -1.215 -1.981 1.00 0.00 O ATOM 365 CB PHE A 30 -7.210 -2.022 -2.358 1.00 0.00 C ATOM 366 CG PHE A 30 -6.451 -3.119 -3.048 1.00 0.00 C ATOM 367 CD1 PHE A 30 -5.242 -3.569 -2.540 1.00 0.00 C ATOM 368 CD2 PHE A 30 -6.946 -3.701 -4.204 1.00 0.00 C ATOM 369 CE1 PHE A 30 -4.542 -4.577 -3.174 1.00 0.00 C ATOM 370 CE2 PHE A 30 -6.250 -4.710 -4.842 1.00 0.00 C ATOM 371 CZ PHE A 30 -5.046 -5.150 -4.325 1.00 0.00 C ATOM 0 H PHE A 30 -9.327 -3.940 -2.135 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.509 -2.530 -0.292 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.833 -1.507 -3.089 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.502 -1.290 -1.970 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.843 -3.127 -1.639 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.887 -3.362 -4.611 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.600 -4.917 -2.769 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.646 -5.154 -5.743 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.501 -5.940 -4.820 1.00 0.00 H new ATOM 381 N LEU A 31 -9.514 -1.176 0.224 1.00 0.00 N ATOM 382 CA LEU A 31 -10.615 -0.274 0.542 1.00 0.00 C ATOM 383 C LEU A 31 -10.092 1.059 1.069 1.00 0.00 C ATOM 384 O LEU A 31 -9.014 1.125 1.660 1.00 0.00 O ATOM 385 CB LEU A 31 -11.543 -0.915 1.575 1.00 0.00 C ATOM 386 CG LEU A 31 -12.558 -1.922 1.033 1.00 0.00 C ATOM 387 CD1 LEU A 31 -12.971 -2.902 2.120 1.00 0.00 C ATOM 388 CD2 LEU A 31 -13.775 -1.202 0.470 1.00 0.00 C ATOM 0 H LEU A 31 -8.958 -1.464 1.030 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.175 -0.087 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.929 -1.416 2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -12.087 -0.121 2.087 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.088 -2.484 0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -13.694 -3.611 1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -12.093 -3.442 2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -13.422 -2.357 2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -14.487 -1.934 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -14.246 -0.614 1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.465 -0.542 -0.340 1.00 0.00 H new ATOM 400 N HIS A 32 -10.864 2.119 0.852 1.00 0.00 N ATOM 401 CA HIS A 32 -10.480 3.450 1.307 1.00 0.00 C ATOM 402 C HIS A 32 -9.777 3.380 2.659 1.00 0.00 C ATOM 403 O HIS A 32 -10.259 2.734 3.588 1.00 0.00 O ATOM 404 CB HIS A 32 -11.711 4.353 1.406 1.00 0.00 C ATOM 405 CG HIS A 32 -11.412 5.801 1.163 1.00 0.00 C ATOM 406 ND1 HIS A 32 -11.727 6.795 2.065 1.00 0.00 N ATOM 407 CD2 HIS A 32 -10.823 6.419 0.113 1.00 0.00 C ATOM 408 CE1 HIS A 32 -11.345 7.963 1.580 1.00 0.00 C ATOM 409 NE2 HIS A 32 -10.793 7.762 0.397 1.00 0.00 N ATOM 0 H HIS A 32 -11.759 2.082 0.364 1.00 0.00 H new ATOM 0 HA HIS A 32 -9.787 3.870 0.578 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -12.456 4.018 0.684 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -12.154 4.243 2.396 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -12.183 6.651 2.966 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -10.447 5.944 -0.781 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -11.464 8.919 2.068 1.00 0.00 H new ATOM 417 N GLY A 33 -8.632 4.049 2.761 1.00 0.00 N ATOM 418 CA GLY A 33 -7.880 4.049 4.002 1.00 0.00 C ATOM 419 C GLY A 33 -6.972 2.842 4.129 1.00 0.00 C ATOM 420 O GLY A 33 -5.865 2.943 4.659 1.00 0.00 O ATOM 0 H GLY A 33 -8.212 4.591 2.006 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.281 4.958 4.061 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.573 4.069 4.843 1.00 0.00 H new ATOM 424 N ASP A 34 -7.439 1.698 3.643 1.00 0.00 N ATOM 425 CA ASP A 34 -6.662 0.466 3.706 1.00 0.00 C ATOM 426 C ASP A 34 -5.222 0.709 3.265 1.00 0.00 C ATOM 427 O ASP A 34 -4.959 1.537 2.391 1.00 0.00 O ATOM 428 CB ASP A 34 -7.301 -0.612 2.828 1.00 0.00 C ATOM 429 CG ASP A 34 -6.775 -1.999 3.139 1.00 0.00 C ATOM 430 OD1 ASP A 34 -5.598 -2.272 2.823 1.00 0.00 O ATOM 431 OD2 ASP A 34 -7.540 -2.811 3.699 1.00 0.00 O ATOM 0 H ASP A 34 -8.353 1.598 3.201 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.654 0.124 4.741 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.382 -0.597 2.968 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.112 -0.382 1.780 1.00 0.00 H new ATOM 436 N THR A 35 -4.290 -0.016 3.876 1.00 0.00 N ATOM 437 CA THR A 35 -2.877 0.123 3.549 1.00 0.00 C ATOM 438 C THR A 35 -2.278 -1.212 3.120 1.00 0.00 C ATOM 439 O THR A 35 -2.566 -2.252 3.714 1.00 0.00 O ATOM 440 CB THR A 35 -2.075 0.673 4.743 1.00 0.00 C ATOM 441 OG1 THR A 35 -2.582 0.129 5.966 1.00 0.00 O ATOM 442 CG2 THR A 35 -2.146 2.192 4.790 1.00 0.00 C ATOM 0 H THR A 35 -4.489 -0.706 4.601 1.00 0.00 H new ATOM 0 HA THR A 35 -2.812 0.830 2.722 1.00 0.00 H new ATOM 0 HB THR A 35 -1.033 0.378 4.619 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.066 0.482 6.720 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.572 2.557 5.642 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.732 2.604 3.870 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.185 2.505 4.892 1.00 0.00 H new ATOM 450 N LEU A 36 -1.443 -1.177 2.088 1.00 0.00 N ATOM 451 CA LEU A 36 -0.802 -2.385 1.580 1.00 0.00 C ATOM 452 C LEU A 36 0.685 -2.397 1.921 1.00 0.00 C ATOM 453 O LEU A 36 1.221 -1.419 2.444 1.00 0.00 O ATOM 454 CB LEU A 36 -0.991 -2.488 0.066 1.00 0.00 C ATOM 455 CG LEU A 36 -2.432 -2.638 -0.422 1.00 0.00 C ATOM 456 CD1 LEU A 36 -2.532 -2.303 -1.903 1.00 0.00 C ATOM 457 CD2 LEU A 36 -2.941 -4.047 -0.157 1.00 0.00 C ATOM 0 H LEU A 36 -1.194 -0.325 1.586 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.272 -3.245 2.058 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.563 -1.597 -0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.416 -3.341 -0.295 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.057 -1.937 0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.565 -2.415 -2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.209 -1.275 -2.066 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.894 -2.979 -2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.968 -4.135 -0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.313 -4.766 -0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.907 -4.251 0.913 1.00 0.00 H new ATOM 469 N THR A 37 1.347 -3.509 1.619 1.00 0.00 N ATOM 470 CA THR A 37 2.772 -3.649 1.892 1.00 0.00 C ATOM 471 C THR A 37 3.497 -4.293 0.716 1.00 0.00 C ATOM 472 O THR A 37 3.004 -5.250 0.119 1.00 0.00 O ATOM 473 CB THR A 37 3.022 -4.490 3.158 1.00 0.00 C ATOM 474 OG1 THR A 37 1.970 -5.447 3.325 1.00 0.00 O ATOM 475 CG2 THR A 37 3.107 -3.602 4.390 1.00 0.00 C ATOM 0 H THR A 37 0.919 -4.327 1.185 1.00 0.00 H new ATOM 0 HA THR A 37 3.163 -2.644 2.050 1.00 0.00 H new ATOM 0 HB THR A 37 3.972 -5.011 3.040 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.137 -5.979 4.131 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.284 -4.218 5.271 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.927 -2.894 4.272 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.171 -3.057 4.511 1.00 0.00 H new ATOM 483 N PHE A 38 4.670 -3.763 0.388 1.00 0.00 N ATOM 484 CA PHE A 38 5.463 -4.287 -0.718 1.00 0.00 C ATOM 485 C PHE A 38 6.712 -4.997 -0.203 1.00 0.00 C ATOM 486 O PHE A 38 7.131 -4.789 0.935 1.00 0.00 O ATOM 487 CB PHE A 38 5.861 -3.156 -1.669 1.00 0.00 C ATOM 488 CG PHE A 38 4.720 -2.642 -2.499 1.00 0.00 C ATOM 489 CD1 PHE A 38 4.290 -3.339 -3.617 1.00 0.00 C ATOM 490 CD2 PHE A 38 4.077 -1.462 -2.162 1.00 0.00 C ATOM 491 CE1 PHE A 38 3.240 -2.869 -4.384 1.00 0.00 C ATOM 492 CE2 PHE A 38 3.026 -0.988 -2.924 1.00 0.00 C ATOM 493 CZ PHE A 38 2.608 -1.691 -4.037 1.00 0.00 C ATOM 0 H PHE A 38 5.093 -2.971 0.872 1.00 0.00 H new ATOM 0 HA PHE A 38 4.853 -5.010 -1.260 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.277 -2.333 -1.088 1.00 0.00 H new ATOM 0 HB3 PHE A 38 6.651 -3.510 -2.331 1.00 0.00 H new ATOM 0 HD1 PHE A 38 4.781 -4.261 -3.893 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.401 -0.906 -1.294 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.915 -3.422 -5.253 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.532 -0.068 -2.649 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.789 -1.320 -4.635 1.00 0.00 H new ATOM 503 N GLU A 39 7.301 -5.835 -1.050 1.00 0.00 N ATOM 504 CA GLU A 39 8.501 -6.576 -0.680 1.00 0.00 C ATOM 505 C GLU A 39 9.241 -7.068 -1.921 1.00 0.00 C ATOM 506 O GLU A 39 8.689 -7.083 -3.022 1.00 0.00 O ATOM 507 CB GLU A 39 8.138 -7.764 0.214 1.00 0.00 C ATOM 508 CG GLU A 39 9.251 -8.172 1.165 1.00 0.00 C ATOM 509 CD GLU A 39 8.739 -8.944 2.365 1.00 0.00 C ATOM 510 OE1 GLU A 39 7.926 -9.872 2.171 1.00 0.00 O ATOM 511 OE2 GLU A 39 9.152 -8.620 3.498 1.00 0.00 O ATOM 0 H GLU A 39 6.967 -6.018 -1.996 1.00 0.00 H new ATOM 0 HA GLU A 39 9.158 -5.902 -0.129 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.250 -7.514 0.794 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.879 -8.616 -0.415 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.977 -8.782 0.628 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.776 -7.280 1.508 1.00 0.00 H new ATOM 518 N CYS A 40 10.495 -7.468 -1.735 1.00 0.00 N ATOM 519 CA CYS A 40 11.312 -7.958 -2.838 1.00 0.00 C ATOM 520 C CYS A 40 12.242 -9.075 -2.371 1.00 0.00 C ATOM 521 O CYS A 40 12.512 -9.234 -1.180 1.00 0.00 O ATOM 522 CB CYS A 40 12.132 -6.816 -3.441 1.00 0.00 C ATOM 523 SG CYS A 40 11.279 -5.910 -4.771 1.00 0.00 S ATOM 0 H CYS A 40 10.967 -7.462 -0.831 1.00 0.00 H new ATOM 0 HA CYS A 40 10.645 -8.359 -3.601 1.00 0.00 H new ATOM 0 HB2 CYS A 40 12.395 -6.115 -2.649 1.00 0.00 H new ATOM 0 HB3 CYS A 40 13.066 -7.220 -3.832 1.00 0.00 H new ATOM 528 N PRO A 41 12.745 -9.866 -3.329 1.00 0.00 N ATOM 529 CA PRO A 41 13.652 -10.981 -3.041 1.00 0.00 C ATOM 530 C PRO A 41 15.025 -10.505 -2.578 1.00 0.00 C ATOM 531 O PRO A 41 15.394 -9.350 -2.784 1.00 0.00 O ATOM 532 CB PRO A 41 13.763 -11.705 -4.385 1.00 0.00 C ATOM 533 CG PRO A 41 13.467 -10.660 -5.404 1.00 0.00 C ATOM 534 CD PRO A 41 12.466 -9.734 -4.769 1.00 0.00 C ATOM 0 HA PRO A 41 13.281 -11.610 -2.232 1.00 0.00 H new ATOM 0 HB2 PRO A 41 14.759 -12.126 -4.527 1.00 0.00 H new ATOM 0 HB3 PRO A 41 13.056 -12.532 -4.449 1.00 0.00 H new ATOM 0 HG2 PRO A 41 14.372 -10.122 -5.686 1.00 0.00 H new ATOM 0 HG3 PRO A 41 13.064 -11.105 -6.314 1.00 0.00 H new ATOM 0 HD2 PRO A 41 12.595 -8.707 -5.111 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.443 -10.023 -5.008 1.00 0.00 H new ATOM 542 N ALA A 42 15.777 -11.404 -1.951 1.00 0.00 N ATOM 543 CA ALA A 42 17.110 -11.076 -1.461 1.00 0.00 C ATOM 544 C ALA A 42 17.987 -10.527 -2.581 1.00 0.00 C ATOM 545 O ALA A 42 18.805 -9.634 -2.360 1.00 0.00 O ATOM 546 CB ALA A 42 17.758 -12.302 -0.834 1.00 0.00 C ATOM 0 H ALA A 42 15.486 -12.365 -1.771 1.00 0.00 H new ATOM 0 HA ALA A 42 17.010 -10.302 -0.700 1.00 0.00 H new ATOM 0 HB1 ALA A 42 18.753 -12.043 -0.472 1.00 0.00 H new ATOM 0 HB2 ALA A 42 17.148 -12.650 -0.000 1.00 0.00 H new ATOM 0 HB3 ALA A 42 17.838 -13.093 -1.580 1.00 0.00 H new ATOM 552 N ALA A 43 17.811 -11.066 -3.782 1.00 0.00 N ATOM 553 CA ALA A 43 18.586 -10.628 -4.937 1.00 0.00 C ATOM 554 C ALA A 43 18.320 -9.160 -5.252 1.00 0.00 C ATOM 555 O ALA A 43 19.182 -8.464 -5.789 1.00 0.00 O ATOM 556 CB ALA A 43 18.267 -11.495 -6.146 1.00 0.00 C ATOM 0 H ALA A 43 17.139 -11.807 -3.981 1.00 0.00 H new ATOM 0 HA ALA A 43 19.644 -10.735 -4.695 1.00 0.00 H new ATOM 0 HB1 ALA A 43 18.853 -11.157 -7.001 1.00 0.00 H new ATOM 0 HB2 ALA A 43 18.514 -12.533 -5.925 1.00 0.00 H new ATOM 0 HB3 ALA A 43 17.205 -11.417 -6.380 1.00 0.00 H new ATOM 562 N PHE A 44 17.122 -8.695 -4.914 1.00 0.00 N ATOM 563 CA PHE A 44 16.742 -7.309 -5.162 1.00 0.00 C ATOM 564 C PHE A 44 16.668 -6.523 -3.857 1.00 0.00 C ATOM 565 O PHE A 44 16.867 -7.076 -2.776 1.00 0.00 O ATOM 566 CB PHE A 44 15.395 -7.248 -5.884 1.00 0.00 C ATOM 567 CG PHE A 44 15.442 -7.781 -7.288 1.00 0.00 C ATOM 568 CD1 PHE A 44 15.890 -9.068 -7.540 1.00 0.00 C ATOM 569 CD2 PHE A 44 15.037 -6.996 -8.355 1.00 0.00 C ATOM 570 CE1 PHE A 44 15.935 -9.560 -8.830 1.00 0.00 C ATOM 571 CE2 PHE A 44 15.080 -7.483 -9.648 1.00 0.00 C ATOM 572 CZ PHE A 44 15.529 -8.767 -9.886 1.00 0.00 C ATOM 0 H PHE A 44 16.398 -9.257 -4.468 1.00 0.00 H new ATOM 0 HA PHE A 44 17.506 -6.857 -5.795 1.00 0.00 H new ATOM 0 HB2 PHE A 44 14.660 -7.815 -5.313 1.00 0.00 H new ATOM 0 HB3 PHE A 44 15.051 -6.214 -5.908 1.00 0.00 H new ATOM 0 HD1 PHE A 44 16.207 -9.693 -6.719 1.00 0.00 H new ATOM 0 HD2 PHE A 44 14.683 -5.992 -8.175 1.00 0.00 H new ATOM 0 HE1 PHE A 44 16.287 -10.564 -9.013 1.00 0.00 H new ATOM 0 HE2 PHE A 44 14.763 -6.860 -10.471 1.00 0.00 H new ATOM 0 HZ PHE A 44 15.563 -9.150 -10.895 1.00 0.00 H new ATOM 582 N GLU A 45 16.382 -5.229 -3.967 1.00 0.00 N ATOM 583 CA GLU A 45 16.283 -4.367 -2.795 1.00 0.00 C ATOM 584 C GLU A 45 15.260 -3.258 -3.021 1.00 0.00 C ATOM 585 O GLU A 45 15.416 -2.427 -3.916 1.00 0.00 O ATOM 586 CB GLU A 45 17.647 -3.759 -2.466 1.00 0.00 C ATOM 587 CG GLU A 45 17.723 -3.150 -1.075 1.00 0.00 C ATOM 588 CD GLU A 45 17.458 -4.164 0.020 1.00 0.00 C ATOM 589 OE1 GLU A 45 17.784 -5.353 -0.181 1.00 0.00 O ATOM 590 OE2 GLU A 45 16.925 -3.770 1.079 1.00 0.00 O ATOM 0 H GLU A 45 16.215 -4.755 -4.855 1.00 0.00 H new ATOM 0 HA GLU A 45 15.953 -4.976 -1.954 1.00 0.00 H new ATOM 0 HB2 GLU A 45 18.411 -4.531 -2.558 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.880 -2.991 -3.203 1.00 0.00 H new ATOM 0 HG2 GLU A 45 18.710 -2.711 -0.928 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.999 -2.339 -0.997 1.00 0.00 H new ATOM 597 N LEU A 46 14.213 -3.251 -2.203 1.00 0.00 N ATOM 598 CA LEU A 46 13.163 -2.244 -2.312 1.00 0.00 C ATOM 599 C LEU A 46 13.747 -0.888 -2.694 1.00 0.00 C ATOM 600 O LEU A 46 14.765 -0.462 -2.147 1.00 0.00 O ATOM 601 CB LEU A 46 12.399 -2.130 -0.992 1.00 0.00 C ATOM 602 CG LEU A 46 11.030 -1.453 -1.065 1.00 0.00 C ATOM 603 CD1 LEU A 46 9.953 -2.465 -1.425 1.00 0.00 C ATOM 604 CD2 LEU A 46 10.702 -0.769 0.254 1.00 0.00 C ATOM 0 H LEU A 46 14.069 -3.931 -1.457 1.00 0.00 H new ATOM 0 HA LEU A 46 12.474 -2.556 -3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.265 -3.132 -0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 46 13.017 -1.579 -0.284 1.00 0.00 H new ATOM 0 HG LEU A 46 11.063 -0.694 -1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.985 -1.965 -1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.180 -2.909 -2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.921 -3.247 -0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.724 -0.293 0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.688 -1.509 1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.458 -0.015 0.471 1.00 0.00 H new ATOM 616 N VAL A 47 13.094 -0.212 -3.634 1.00 0.00 N ATOM 617 CA VAL A 47 13.546 1.098 -4.087 1.00 0.00 C ATOM 618 C VAL A 47 12.396 2.099 -4.110 1.00 0.00 C ATOM 619 O VAL A 47 12.308 2.939 -5.004 1.00 0.00 O ATOM 620 CB VAL A 47 14.173 1.021 -5.491 1.00 0.00 C ATOM 621 CG1 VAL A 47 14.978 2.278 -5.787 1.00 0.00 C ATOM 622 CG2 VAL A 47 15.043 -0.220 -5.619 1.00 0.00 C ATOM 0 H VAL A 47 12.250 -0.550 -4.097 1.00 0.00 H new ATOM 0 HA VAL A 47 14.302 1.434 -3.378 1.00 0.00 H new ATOM 0 HB VAL A 47 13.370 0.951 -6.224 1.00 0.00 H new ATOM 0 HG11 VAL A 47 15.413 2.205 -6.784 1.00 0.00 H new ATOM 0 HG12 VAL A 47 14.324 3.149 -5.740 1.00 0.00 H new ATOM 0 HG13 VAL A 47 15.774 2.382 -5.050 1.00 0.00 H new ATOM 0 HG21 VAL A 47 15.478 -0.258 -6.618 1.00 0.00 H new ATOM 0 HG22 VAL A 47 15.841 -0.183 -4.877 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.435 -1.109 -5.454 1.00 0.00 H new ATOM 632 N GLY A 48 11.515 2.003 -3.118 1.00 0.00 N ATOM 633 CA GLY A 48 10.382 2.906 -3.043 1.00 0.00 C ATOM 634 C GLY A 48 9.573 2.716 -1.775 1.00 0.00 C ATOM 635 O GLY A 48 9.970 1.965 -0.885 1.00 0.00 O ATOM 0 H GLY A 48 11.566 1.316 -2.366 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.738 3.935 -3.093 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.738 2.749 -3.908 1.00 0.00 H new ATOM 639 N GLU A 49 8.436 3.401 -1.692 1.00 0.00 N ATOM 640 CA GLU A 49 7.571 3.305 -0.522 1.00 0.00 C ATOM 641 C GLU A 49 7.315 1.847 -0.153 1.00 0.00 C ATOM 642 O GLU A 49 7.439 0.953 -0.990 1.00 0.00 O ATOM 643 CB GLU A 49 6.243 4.018 -0.783 1.00 0.00 C ATOM 644 CG GLU A 49 6.403 5.471 -1.198 1.00 0.00 C ATOM 645 CD GLU A 49 6.749 6.376 -0.032 1.00 0.00 C ATOM 646 OE1 GLU A 49 6.640 5.922 1.125 1.00 0.00 O ATOM 647 OE2 GLU A 49 7.129 7.540 -0.279 1.00 0.00 O ATOM 0 H GLU A 49 8.093 4.028 -2.420 1.00 0.00 H new ATOM 0 HA GLU A 49 8.077 3.789 0.313 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.701 3.484 -1.563 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.632 3.972 0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.184 5.545 -1.955 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.478 5.817 -1.660 1.00 0.00 H new ATOM 654 N ARG A 50 6.957 1.616 1.106 1.00 0.00 N ATOM 655 CA ARG A 50 6.684 0.267 1.587 1.00 0.00 C ATOM 656 C ARG A 50 5.185 0.046 1.768 1.00 0.00 C ATOM 657 O ARG A 50 4.724 -1.089 1.886 1.00 0.00 O ATOM 658 CB ARG A 50 7.410 0.019 2.911 1.00 0.00 C ATOM 659 CG ARG A 50 6.661 0.544 4.124 1.00 0.00 C ATOM 660 CD ARG A 50 7.583 0.702 5.323 1.00 0.00 C ATOM 661 NE ARG A 50 8.330 1.956 5.279 1.00 0.00 N ATOM 662 CZ ARG A 50 9.101 2.387 6.270 1.00 0.00 C ATOM 663 NH1 ARG A 50 9.227 1.670 7.378 1.00 0.00 N ATOM 664 NH2 ARG A 50 9.750 3.539 6.154 1.00 0.00 N ATOM 0 H ARG A 50 6.849 2.345 1.811 1.00 0.00 H new ATOM 0 HA ARG A 50 7.050 -0.438 0.841 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.573 -1.052 3.031 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.393 0.489 2.870 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.206 1.505 3.884 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.849 -0.139 4.375 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.995 0.663 6.240 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.281 -0.135 5.356 1.00 0.00 H new ATOM 0 HE ARG A 50 8.255 2.532 4.441 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.731 0.784 7.471 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.820 2.005 8.137 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.656 4.094 5.303 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.342 3.870 6.916 1.00 0.00 H new ATOM 678 N VAL A 51 4.430 1.140 1.789 1.00 0.00 N ATOM 679 CA VAL A 51 2.983 1.066 1.954 1.00 0.00 C ATOM 680 C VAL A 51 2.301 2.301 1.377 1.00 0.00 C ATOM 681 O VAL A 51 2.894 3.379 1.315 1.00 0.00 O ATOM 682 CB VAL A 51 2.594 0.925 3.438 1.00 0.00 C ATOM 683 CG1 VAL A 51 3.571 1.685 4.321 1.00 0.00 C ATOM 684 CG2 VAL A 51 1.170 1.409 3.663 1.00 0.00 C ATOM 0 H VAL A 51 4.796 2.087 1.694 1.00 0.00 H new ATOM 0 HA VAL A 51 2.647 0.182 1.412 1.00 0.00 H new ATOM 0 HB VAL A 51 2.642 -0.129 3.710 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.280 1.574 5.365 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.575 1.286 4.180 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.559 2.741 4.052 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.912 1.302 4.717 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.092 2.457 3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.484 0.815 3.059 1.00 0.00 H new ATOM 694 N ILE A 52 1.051 2.138 0.956 1.00 0.00 N ATOM 695 CA ILE A 52 0.287 3.240 0.385 1.00 0.00 C ATOM 696 C ILE A 52 -1.161 3.210 0.862 1.00 0.00 C ATOM 697 O ILE A 52 -1.626 2.210 1.411 1.00 0.00 O ATOM 698 CB ILE A 52 0.310 3.203 -1.154 1.00 0.00 C ATOM 699 CG1 ILE A 52 0.190 1.762 -1.654 1.00 0.00 C ATOM 700 CG2 ILE A 52 1.584 3.847 -1.680 1.00 0.00 C ATOM 701 CD1 ILE A 52 0.291 1.633 -3.157 1.00 0.00 C ATOM 0 H ILE A 52 0.546 1.253 1.000 1.00 0.00 H new ATOM 0 HA ILE A 52 0.760 4.161 0.725 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.542 3.770 -1.529 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.973 1.160 -1.193 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.764 1.350 -1.326 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.586 3.813 -2.769 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.631 4.884 -1.349 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.450 3.305 -1.299 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.197 0.584 -3.439 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.508 2.208 -3.626 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.256 2.014 -3.491 1.00 0.00 H new ATOM 713 N THR A 53 -1.873 4.312 0.646 1.00 0.00 N ATOM 714 CA THR A 53 -3.269 4.413 1.053 1.00 0.00 C ATOM 715 C THR A 53 -4.165 4.743 -0.136 1.00 0.00 C ATOM 716 O THR A 53 -3.751 5.439 -1.064 1.00 0.00 O ATOM 717 CB THR A 53 -3.461 5.486 2.140 1.00 0.00 C ATOM 718 OG1 THR A 53 -2.415 5.391 3.113 1.00 0.00 O ATOM 719 CG2 THR A 53 -4.811 5.328 2.823 1.00 0.00 C ATOM 0 H THR A 53 -1.505 5.148 0.191 1.00 0.00 H new ATOM 0 HA THR A 53 -3.551 3.442 1.459 1.00 0.00 H new ATOM 0 HB THR A 53 -3.425 6.465 1.663 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.544 6.078 3.800 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.924 6.097 3.587 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.606 5.430 2.085 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.871 4.344 3.287 1.00 0.00 H new ATOM 727 N CYS A 54 -5.394 4.240 -0.101 1.00 0.00 N ATOM 728 CA CYS A 54 -6.350 4.482 -1.175 1.00 0.00 C ATOM 729 C CYS A 54 -7.225 5.693 -0.863 1.00 0.00 C ATOM 730 O CYS A 54 -7.587 5.928 0.290 1.00 0.00 O ATOM 731 CB CYS A 54 -7.228 3.247 -1.392 1.00 0.00 C ATOM 732 SG CYS A 54 -8.855 3.612 -2.126 1.00 0.00 S ATOM 0 H CYS A 54 -5.752 3.662 0.660 1.00 0.00 H new ATOM 0 HA CYS A 54 -5.789 4.687 -2.087 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.699 2.547 -2.038 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.377 2.747 -0.435 1.00 0.00 H new ATOM 737 N GLN A 55 -7.559 6.456 -1.898 1.00 0.00 N ATOM 738 CA GLN A 55 -8.391 7.643 -1.734 1.00 0.00 C ATOM 739 C GLN A 55 -9.702 7.499 -2.499 1.00 0.00 C ATOM 740 O GLN A 55 -9.804 6.697 -3.427 1.00 0.00 O ATOM 741 CB GLN A 55 -7.641 8.887 -2.212 1.00 0.00 C ATOM 742 CG GLN A 55 -6.134 8.792 -2.041 1.00 0.00 C ATOM 743 CD GLN A 55 -5.422 10.076 -2.418 1.00 0.00 C ATOM 744 OE1 GLN A 55 -5.183 10.939 -1.572 1.00 0.00 O ATOM 745 NE2 GLN A 55 -5.077 10.210 -3.693 1.00 0.00 N ATOM 0 H GLN A 55 -7.267 6.274 -2.858 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.621 7.751 -0.674 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -7.869 9.056 -3.264 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -8.007 9.755 -1.663 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.905 8.545 -1.004 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.753 7.976 -2.655 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.294 9.470 -4.361 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.594 11.053 -4.005 1.00 0.00 H new ATOM 754 N GLN A 56 -10.702 8.281 -2.103 1.00 0.00 N ATOM 755 CA GLN A 56 -12.007 8.239 -2.752 1.00 0.00 C ATOM 756 C GLN A 56 -11.882 8.526 -4.245 1.00 0.00 C ATOM 757 O GLN A 56 -12.824 8.317 -5.008 1.00 0.00 O ATOM 758 CB GLN A 56 -12.955 9.249 -2.104 1.00 0.00 C ATOM 759 CG GLN A 56 -13.719 8.690 -0.915 1.00 0.00 C ATOM 760 CD GLN A 56 -14.805 7.715 -1.326 1.00 0.00 C ATOM 761 OE1 GLN A 56 -15.790 8.096 -1.960 1.00 0.00 O ATOM 762 NE2 GLN A 56 -14.632 6.449 -0.967 1.00 0.00 N ATOM 0 H GLN A 56 -10.633 8.951 -1.337 1.00 0.00 H new ATOM 0 HA GLN A 56 -12.415 7.236 -2.626 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -12.381 10.118 -1.781 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -13.667 9.598 -2.852 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -13.022 8.190 -0.243 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -14.166 9.512 -0.356 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -13.801 6.177 -0.442 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -15.330 5.748 -1.216 1.00 0.00 H new ATOM 771 N ASN A 57 -10.712 9.005 -4.655 1.00 0.00 N ATOM 772 CA ASN A 57 -10.464 9.322 -6.057 1.00 0.00 C ATOM 773 C ASN A 57 -10.030 8.078 -6.827 1.00 0.00 C ATOM 774 O ASN A 57 -9.291 8.169 -7.806 1.00 0.00 O ATOM 775 CB ASN A 57 -9.393 10.408 -6.174 1.00 0.00 C ATOM 776 CG ASN A 57 -9.827 11.718 -5.545 1.00 0.00 C ATOM 777 OD1 ASN A 57 -10.655 11.632 -4.511 1.00 0.00 O flip ATOM 778 ND2 ASN A 57 -9.421 12.794 -5.984 1.00 0.00 N flip ATOM 0 H ASN A 57 -9.921 9.182 -4.036 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.394 9.690 -6.491 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.477 10.064 -5.695 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.160 10.573 -7.226 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.785 12.812 -6.781 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -9.721 13.667 -5.550 1.00 0.00 H new ATOM 785 N ASN A 58 -10.495 6.918 -6.376 1.00 0.00 N ATOM 786 CA ASN A 58 -10.154 5.655 -7.022 1.00 0.00 C ATOM 787 C ASN A 58 -8.678 5.621 -7.407 1.00 0.00 C ATOM 788 O ASN A 58 -8.316 5.115 -8.468 1.00 0.00 O ATOM 789 CB ASN A 58 -11.022 5.445 -8.265 1.00 0.00 C ATOM 790 CG ASN A 58 -11.155 3.980 -8.635 1.00 0.00 C ATOM 791 OD1 ASN A 58 -10.278 3.170 -8.336 1.00 0.00 O ATOM 792 ND2 ASN A 58 -12.258 3.634 -9.290 1.00 0.00 N ATOM 0 H ASN A 58 -11.109 6.826 -5.566 1.00 0.00 H new ATOM 0 HA ASN A 58 -10.344 4.849 -6.313 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.013 5.864 -8.088 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -10.590 5.991 -9.103 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.404 2.663 -9.566 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.959 4.339 -9.517 1.00 0.00 H new ATOM 799 N GLN A 59 -7.833 6.163 -6.536 1.00 0.00 N ATOM 800 CA GLN A 59 -6.397 6.195 -6.785 1.00 0.00 C ATOM 801 C GLN A 59 -5.616 6.113 -5.478 1.00 0.00 C ATOM 802 O GLN A 59 -6.171 6.315 -4.398 1.00 0.00 O ATOM 803 CB GLN A 59 -6.017 7.470 -7.541 1.00 0.00 C ATOM 804 CG GLN A 59 -4.597 7.939 -7.266 1.00 0.00 C ATOM 805 CD GLN A 59 -4.289 9.275 -7.914 1.00 0.00 C ATOM 806 OE1 GLN A 59 -4.679 10.328 -7.408 1.00 0.00 O ATOM 807 NE2 GLN A 59 -3.585 9.239 -9.039 1.00 0.00 N ATOM 0 H GLN A 59 -8.118 6.586 -5.652 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.140 5.329 -7.395 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -6.133 7.297 -8.611 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -6.712 8.264 -7.270 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.446 8.018 -6.189 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -3.894 7.191 -7.632 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.282 8.344 -9.423 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -3.347 10.107 -9.520 1.00 0.00 H new ATOM 816 N TRP A 60 -4.326 5.815 -5.583 1.00 0.00 N ATOM 817 CA TRP A 60 -3.468 5.706 -4.408 1.00 0.00 C ATOM 818 C TRP A 60 -2.687 6.995 -4.182 1.00 0.00 C ATOM 819 O TRP A 60 -2.348 7.701 -5.132 1.00 0.00 O ATOM 820 CB TRP A 60 -2.502 4.530 -4.564 1.00 0.00 C ATOM 821 CG TRP A 60 -3.175 3.193 -4.482 1.00 0.00 C ATOM 822 CD1 TRP A 60 -3.670 2.460 -5.523 1.00 0.00 C ATOM 823 CD2 TRP A 60 -3.428 2.432 -3.296 1.00 0.00 C ATOM 824 NE1 TRP A 60 -4.215 1.289 -5.055 1.00 0.00 N ATOM 825 CE2 TRP A 60 -4.078 1.248 -3.693 1.00 0.00 C ATOM 826 CE3 TRP A 60 -3.166 2.635 -1.939 1.00 0.00 C ATOM 827 CZ2 TRP A 60 -4.471 0.273 -2.779 1.00 0.00 C ATOM 828 CZ3 TRP A 60 -3.557 1.667 -1.033 1.00 0.00 C ATOM 829 CH2 TRP A 60 -4.202 0.498 -1.456 1.00 0.00 C ATOM 0 H TRP A 60 -3.851 5.645 -6.469 1.00 0.00 H new ATOM 0 HA TRP A 60 -4.104 5.532 -3.540 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -1.991 4.613 -5.523 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -1.737 4.592 -3.790 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -3.638 2.757 -6.561 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -4.651 0.567 -5.629 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -2.667 3.532 -1.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -4.970 -0.628 -3.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -3.362 1.815 0.019 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -4.493 -0.241 -0.724 1.00 0.00 H new ATOM 840 N SER A 61 -2.405 7.298 -2.919 1.00 0.00 N ATOM 841 CA SER A 61 -1.666 8.505 -2.569 1.00 0.00 C ATOM 842 C SER A 61 -0.201 8.383 -2.974 1.00 0.00 C ATOM 843 O SER A 61 0.518 9.378 -3.057 1.00 0.00 O ATOM 844 CB SER A 61 -1.771 8.775 -1.067 1.00 0.00 C ATOM 845 OG SER A 61 -3.108 8.640 -0.616 1.00 0.00 O ATOM 0 H SER A 61 -2.677 6.724 -2.121 1.00 0.00 H new ATOM 0 HA SER A 61 -2.106 9.341 -3.113 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.129 8.081 -0.524 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.410 9.780 -0.849 1.00 0.00 H new ATOM 0 HG SER A 61 -3.148 8.816 0.347 1.00 0.00 H new ATOM 851 N GLY A 62 0.236 7.152 -3.227 1.00 0.00 N ATOM 852 CA GLY A 62 1.613 6.921 -3.621 1.00 0.00 C ATOM 853 C GLY A 62 1.728 5.977 -4.802 1.00 0.00 C ATOM 854 O GLY A 62 0.879 5.109 -4.996 1.00 0.00 O ATOM 0 H GLY A 62 -0.339 6.312 -3.166 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.080 7.873 -3.874 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.165 6.510 -2.776 1.00 0.00 H new ATOM 858 N ASN A 63 2.780 6.150 -5.595 1.00 0.00 N ATOM 859 CA ASN A 63 3.001 5.308 -6.765 1.00 0.00 C ATOM 860 C ASN A 63 3.765 4.042 -6.389 1.00 0.00 C ATOM 861 O ASN A 63 4.752 4.094 -5.654 1.00 0.00 O ATOM 862 CB ASN A 63 3.771 6.082 -7.838 1.00 0.00 C ATOM 863 CG ASN A 63 2.852 6.830 -8.784 1.00 0.00 C ATOM 864 OD1 ASN A 63 1.778 7.287 -8.391 1.00 0.00 O ATOM 865 ND2 ASN A 63 3.270 6.957 -10.037 1.00 0.00 N ATOM 0 H ASN A 63 3.493 6.865 -5.449 1.00 0.00 H new ATOM 0 HA ASN A 63 2.028 5.019 -7.162 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.446 6.790 -7.357 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.389 5.389 -8.409 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.694 7.450 -10.719 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.167 6.562 -10.318 1.00 0.00 H new ATOM 872 N LYS A 64 3.302 2.905 -6.896 1.00 0.00 N ATOM 873 CA LYS A 64 3.941 1.625 -6.616 1.00 0.00 C ATOM 874 C LYS A 64 5.458 1.775 -6.560 1.00 0.00 C ATOM 875 O LYS A 64 6.057 2.552 -7.304 1.00 0.00 O ATOM 876 CB LYS A 64 3.559 0.596 -7.682 1.00 0.00 C ATOM 877 CG LYS A 64 3.953 1.005 -9.091 1.00 0.00 C ATOM 878 CD LYS A 64 4.228 -0.206 -9.967 1.00 0.00 C ATOM 879 CE LYS A 64 2.958 -0.710 -10.636 1.00 0.00 C ATOM 880 NZ LYS A 64 2.633 0.067 -11.864 1.00 0.00 N ATOM 0 H LYS A 64 2.485 2.844 -7.504 1.00 0.00 H new ATOM 0 HA LYS A 64 3.591 1.278 -5.644 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.033 -0.356 -7.443 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.482 0.433 -7.648 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.156 1.602 -9.534 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.841 1.637 -9.053 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.963 0.054 -10.729 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.663 -1.002 -9.363 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.076 -1.763 -10.893 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.127 -0.644 -9.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.761 -0.307 -12.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.495 1.067 -11.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.415 -0.016 -12.545 1.00 0.00 H new ATOM 894 N PRO A 65 6.096 1.013 -5.659 1.00 0.00 N ATOM 895 CA PRO A 65 7.552 1.043 -5.486 1.00 0.00 C ATOM 896 C PRO A 65 8.288 0.429 -6.672 1.00 0.00 C ATOM 897 O PRO A 65 7.671 0.022 -7.656 1.00 0.00 O ATOM 898 CB PRO A 65 7.776 0.205 -4.225 1.00 0.00 C ATOM 899 CG PRO A 65 6.600 -0.707 -4.162 1.00 0.00 C ATOM 900 CD PRO A 65 5.446 0.065 -4.739 1.00 0.00 C ATOM 0 HA PRO A 65 7.934 2.061 -5.411 1.00 0.00 H new ATOM 0 HB2 PRO A 65 8.709 -0.356 -4.283 1.00 0.00 H new ATOM 0 HB3 PRO A 65 7.837 0.834 -3.337 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.783 -1.619 -4.730 1.00 0.00 H new ATOM 0 HG3 PRO A 65 6.394 -1.008 -3.135 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.747 -0.588 -5.262 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.880 0.581 -3.964 1.00 0.00 H new ATOM 908 N SER A 66 9.612 0.365 -6.571 1.00 0.00 N ATOM 909 CA SER A 66 10.434 -0.197 -7.637 1.00 0.00 C ATOM 910 C SER A 66 11.403 -1.237 -7.085 1.00 0.00 C ATOM 911 O SER A 66 11.957 -1.072 -5.998 1.00 0.00 O ATOM 912 CB SER A 66 11.210 0.913 -8.350 1.00 0.00 C ATOM 913 OG SER A 66 10.458 1.453 -9.423 1.00 0.00 O ATOM 0 H SER A 66 10.138 0.695 -5.762 1.00 0.00 H new ATOM 0 HA SER A 66 9.773 -0.686 -8.353 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.456 1.703 -7.640 1.00 0.00 H new ATOM 0 HB3 SER A 66 12.154 0.518 -8.726 1.00 0.00 H new ATOM 0 HG SER A 66 10.975 2.161 -9.861 1.00 0.00 H new ATOM 919 N CYS A 67 11.603 -2.311 -7.843 1.00 0.00 N ATOM 920 CA CYS A 67 12.504 -3.380 -7.432 1.00 0.00 C ATOM 921 C CYS A 67 13.776 -3.375 -8.275 1.00 0.00 C ATOM 922 O CYS A 67 13.745 -3.691 -9.465 1.00 0.00 O ATOM 923 CB CYS A 67 11.807 -4.737 -7.550 1.00 0.00 C ATOM 924 SG CYS A 67 12.441 -6.001 -6.401 1.00 0.00 S ATOM 0 H CYS A 67 11.153 -2.463 -8.745 1.00 0.00 H new ATOM 0 HA CYS A 67 12.778 -3.209 -6.391 1.00 0.00 H new ATOM 0 HB2 CYS A 67 10.740 -4.602 -7.372 1.00 0.00 H new ATOM 0 HB3 CYS A 67 11.916 -5.102 -8.571 1.00 0.00 H new ATOM 929 N SER A 68 14.892 -3.013 -7.651 1.00 0.00 N ATOM 930 CA SER A 68 16.174 -2.963 -8.344 1.00 0.00 C ATOM 931 C SER A 68 17.324 -2.829 -7.351 1.00 0.00 C ATOM 932 O SER A 68 17.146 -2.328 -6.241 1.00 0.00 O ATOM 933 CB SER A 68 16.198 -1.794 -9.331 1.00 0.00 C ATOM 934 OG SER A 68 15.538 -0.660 -8.795 1.00 0.00 O ATOM 0 H SER A 68 14.934 -2.750 -6.666 1.00 0.00 H new ATOM 0 HA SER A 68 16.299 -3.896 -8.893 1.00 0.00 H new ATOM 0 HB2 SER A 68 17.230 -1.538 -9.571 1.00 0.00 H new ATOM 0 HB3 SER A 68 15.718 -2.091 -10.263 1.00 0.00 H new ATOM 0 HG SER A 68 15.569 0.074 -9.444 1.00 0.00 H new ATOM 940 N GLY A 69 18.506 -3.281 -7.759 1.00 0.00 N ATOM 941 CA GLY A 69 19.669 -3.203 -6.894 1.00 0.00 C ATOM 942 C GLY A 69 20.838 -2.504 -7.557 1.00 0.00 C ATOM 943 O GLY A 69 20.970 -1.281 -7.503 1.00 0.00 O ATOM 0 H GLY A 69 18.679 -3.700 -8.673 1.00 0.00 H new ATOM 0 HA2 GLY A 69 19.403 -2.672 -5.980 1.00 0.00 H new ATOM 0 HA3 GLY A 69 19.969 -4.209 -6.602 1.00 0.00 H new ATOM 947 N PRO A 70 21.716 -3.289 -8.200 1.00 0.00 N ATOM 948 CA PRO A 70 22.897 -2.759 -8.887 1.00 0.00 C ATOM 949 C PRO A 70 22.533 -1.972 -10.142 1.00 0.00 C ATOM 950 O PRO A 70 22.832 -2.394 -11.259 1.00 0.00 O ATOM 951 CB PRO A 70 23.687 -4.017 -9.256 1.00 0.00 C ATOM 952 CG PRO A 70 22.665 -5.098 -9.332 1.00 0.00 C ATOM 953 CD PRO A 70 21.622 -4.755 -8.305 1.00 0.00 C ATOM 0 HA PRO A 70 23.451 -2.058 -8.263 1.00 0.00 H new ATOM 0 HB2 PRO A 70 24.205 -3.894 -10.207 1.00 0.00 H new ATOM 0 HB3 PRO A 70 24.446 -4.242 -8.507 1.00 0.00 H new ATOM 0 HG2 PRO A 70 22.228 -5.152 -10.329 1.00 0.00 H new ATOM 0 HG3 PRO A 70 23.110 -6.071 -9.126 1.00 0.00 H new ATOM 0 HD2 PRO A 70 20.628 -5.072 -8.620 1.00 0.00 H new ATOM 0 HD3 PRO A 70 21.824 -5.240 -7.350 1.00 0.00 H new ATOM 961 N SER A 71 21.887 -0.827 -9.950 1.00 0.00 N ATOM 962 CA SER A 71 21.479 0.018 -11.066 1.00 0.00 C ATOM 963 C SER A 71 21.067 -0.830 -12.266 1.00 0.00 C ATOM 964 O SER A 71 21.343 -0.478 -13.413 1.00 0.00 O ATOM 965 CB SER A 71 22.617 0.961 -11.461 1.00 0.00 C ATOM 966 OG SER A 71 22.153 1.987 -12.323 1.00 0.00 O ATOM 0 H SER A 71 21.635 -0.463 -9.031 1.00 0.00 H new ATOM 0 HA SER A 71 20.620 0.609 -10.748 1.00 0.00 H new ATOM 0 HB2 SER A 71 23.054 1.404 -10.566 1.00 0.00 H new ATOM 0 HB3 SER A 71 23.407 0.396 -11.955 1.00 0.00 H new ATOM 0 HG SER A 71 21.699 1.586 -13.094 1.00 0.00 H new ATOM 972 N SER A 72 20.403 -1.949 -11.992 1.00 0.00 N ATOM 973 CA SER A 72 19.955 -2.850 -13.047 1.00 0.00 C ATOM 974 C SER A 72 18.473 -2.642 -13.346 1.00 0.00 C ATOM 975 O SER A 72 17.615 -2.923 -12.510 1.00 0.00 O ATOM 976 CB SER A 72 20.208 -4.304 -12.646 1.00 0.00 C ATOM 977 OG SER A 72 20.101 -4.473 -11.243 1.00 0.00 O ATOM 0 H SER A 72 20.164 -2.253 -11.048 1.00 0.00 H new ATOM 0 HA SER A 72 20.524 -2.626 -13.949 1.00 0.00 H new ATOM 0 HB2 SER A 72 19.491 -4.953 -13.149 1.00 0.00 H new ATOM 0 HB3 SER A 72 21.201 -4.608 -12.977 1.00 0.00 H new ATOM 0 HG SER A 72 20.234 -5.417 -11.016 1.00 0.00 H new ATOM 983 N GLY A 73 18.181 -2.149 -14.545 1.00 0.00 N ATOM 984 CA GLY A 73 16.803 -1.912 -14.934 1.00 0.00 C ATOM 985 C GLY A 73 16.669 -1.539 -16.397 1.00 0.00 C ATOM 986 O GLY A 73 16.094 -2.289 -17.186 1.00 0.00 O ATOM 0 H GLY A 73 18.874 -1.909 -15.254 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.214 -2.807 -14.735 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.387 -1.114 -14.319 1.00 0.00 H new TER 990 GLY A 73