USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 895 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 80 SER OG : rot -129:sc= 0.219 USER MOD Set 1.2: A 86 GLN : amide:sc= -0.0564 X(o=0.16,f=-0.18) USER MOD Set 2.1: A 64 LYS NZ :NH3+ -151:sc= 1.89 (180deg=1.16) USER MOD Set 2.2: A 65 ASN : amide:sc= 1.53 K(o=3.4,f=-3.3) USER MOD Set 3.1: A 31 SER OG : rot 180:sc= 0.538 USER MOD Set 3.2: A 46 HIS : no HD1:sc= 0.495 K(o=1,f=-3.6!) USER MOD Single : A 0 GLY N :NH3+ -120:sc= 0.0625 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -159:sc= 1.24 (180deg=1.14) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -173:sc= 0 (180deg=-0.0205) USER MOD Single : A 26 GLN : amide:sc= 1.27 K(o=1.3,f=-5.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -150:sc= 1.09 (180deg=0.582) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot -14:sc= -0.744 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 1.91 K(o=1.9,f=-4.6!) USER MOD Single : A 53 HIS : no HD1:sc=-0.000253 X(o=-0.00025,f=-0.015) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 173:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.967 K(o=0.97,f=-0.0039) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -170:sc= 0.648 USER MOD Single : A 67 ASN : amide:sc= 0.822 K(o=0.82,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 150:sc= 0.74 (180deg=0.336) USER MOD Single : A 71 ASN : amide:sc= 0.798 K(o=0.8,f=-0.073) USER MOD Single : A 73 THR OG1 : rot 58:sc= 1.69 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= 1.21 K(o=1.2,f=0) USER MOD Single : A 89 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.15) USER MOD Single : A 93 GLN : amide:sc= 0.829 K(o=0.83,f=-8!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -174:sc= 0 (180deg=-0.0228) USER MOD Single : A 100 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00137) USER MOD Single : A 105 LYS NZ :NH3+ -171:sc= 1.24 (180deg=1.21) USER MOD Single : A 109 SER OG : rot 180:sc= 0.0286 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 27.011 -5.411 -28.340 1.00 0.00 N ATOM 2 CA GLY A 0 26.961 -4.995 -26.919 1.00 0.00 C ATOM 3 C GLY A 0 26.037 -5.883 -26.095 1.00 0.00 C ATOM 4 O GLY A 0 25.564 -6.919 -26.568 1.00 0.00 O ATOM 0 H1 GLY A 0 27.988 -5.661 -28.594 1.00 0.00 H new ATOM 0 H2 GLY A 0 26.394 -6.236 -28.482 1.00 0.00 H new ATOM 0 H3 GLY A 0 26.686 -4.628 -28.943 1.00 0.00 H new ATOM 0 HA2 GLY A 0 27.965 -5.027 -26.497 1.00 0.00 H new ATOM 0 HA3 GLY A 0 26.621 -3.961 -26.856 1.00 0.00 H new ATOM 10 N MET A 1 25.775 -5.487 -24.845 1.00 0.00 N ATOM 11 CA MET A 1 24.867 -6.200 -23.927 1.00 0.00 C ATOM 12 C MET A 1 23.382 -6.093 -24.352 1.00 0.00 C ATOM 13 O MET A 1 23.014 -5.125 -25.029 1.00 0.00 O ATOM 14 CB MET A 1 25.043 -5.669 -22.492 1.00 0.00 C ATOM 15 CG MET A 1 26.433 -5.956 -21.910 1.00 0.00 C ATOM 16 SD MET A 1 26.793 -7.717 -21.645 1.00 0.00 S ATOM 17 CE MET A 1 28.465 -7.580 -20.953 1.00 0.00 C ATOM 0 H MET A 1 26.191 -4.652 -24.433 1.00 0.00 H new ATOM 0 HA MET A 1 25.137 -7.255 -23.968 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.868 -4.593 -22.485 1.00 0.00 H new ATOM 0 HB3 MET A 1 24.287 -6.119 -21.849 1.00 0.00 H new ATOM 0 HG2 MET A 1 27.186 -5.542 -22.581 1.00 0.00 H new ATOM 0 HG3 MET A 1 26.530 -5.432 -20.959 1.00 0.00 H new ATOM 0 HE1 MET A 1 28.848 -8.575 -20.728 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.120 -7.094 -21.677 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.433 -6.988 -20.038 1.00 0.00 H new ATOM 27 N PRO A 2 22.506 -7.039 -23.943 1.00 0.00 N ATOM 28 CA PRO A 2 21.064 -6.974 -24.209 1.00 0.00 C ATOM 29 C PRO A 2 20.370 -5.729 -23.609 1.00 0.00 C ATOM 30 O PRO A 2 20.879 -5.155 -22.637 1.00 0.00 O ATOM 31 CB PRO A 2 20.471 -8.261 -23.619 1.00 0.00 C ATOM 32 CG PRO A 2 21.652 -9.229 -23.607 1.00 0.00 C ATOM 33 CD PRO A 2 22.830 -8.308 -23.301 1.00 0.00 C ATOM 0 HA PRO A 2 20.898 -6.887 -25.283 1.00 0.00 H new ATOM 0 HB2 PRO A 2 20.077 -8.097 -22.616 1.00 0.00 H new ATOM 0 HB3 PRO A 2 19.649 -8.639 -24.227 1.00 0.00 H new ATOM 0 HG2 PRO A 2 21.535 -10.003 -22.849 1.00 0.00 H new ATOM 0 HG3 PRO A 2 21.771 -9.736 -24.565 1.00 0.00 H new ATOM 0 HD2 PRO A 2 22.962 -8.182 -22.226 1.00 0.00 H new ATOM 0 HD3 PRO A 2 23.761 -8.719 -23.690 1.00 0.00 H new ATOM 41 N PRO A 3 19.192 -5.319 -24.128 1.00 0.00 N ATOM 42 CA PRO A 3 18.415 -4.199 -23.585 1.00 0.00 C ATOM 43 C PRO A 3 17.979 -4.394 -22.114 1.00 0.00 C ATOM 44 O PRO A 3 17.808 -5.540 -21.676 1.00 0.00 O ATOM 45 CB PRO A 3 17.190 -4.057 -24.499 1.00 0.00 C ATOM 46 CG PRO A 3 17.650 -4.678 -25.814 1.00 0.00 C ATOM 47 CD PRO A 3 18.562 -5.810 -25.346 1.00 0.00 C ATOM 0 HA PRO A 3 19.034 -3.302 -23.569 1.00 0.00 H new ATOM 0 HB2 PRO A 3 16.323 -4.577 -24.091 1.00 0.00 H new ATOM 0 HB3 PRO A 3 16.904 -3.013 -24.627 1.00 0.00 H new ATOM 0 HG2 PRO A 3 16.811 -5.050 -26.402 1.00 0.00 H new ATOM 0 HG3 PRO A 3 18.183 -3.960 -26.437 1.00 0.00 H new ATOM 0 HD2 PRO A 3 17.993 -6.720 -25.155 1.00 0.00 H new ATOM 0 HD3 PRO A 3 19.307 -6.053 -26.103 1.00 0.00 H new ATOM 55 N PRO A 4 17.742 -3.309 -21.346 1.00 0.00 N ATOM 56 CA PRO A 4 17.257 -3.384 -19.964 1.00 0.00 C ATOM 57 C PRO A 4 15.901 -4.099 -19.819 1.00 0.00 C ATOM 58 O PRO A 4 15.017 -3.973 -20.672 1.00 0.00 O ATOM 59 CB PRO A 4 17.167 -1.936 -19.467 1.00 0.00 C ATOM 60 CG PRO A 4 18.169 -1.195 -20.349 1.00 0.00 C ATOM 61 CD PRO A 4 18.038 -1.922 -21.685 1.00 0.00 C ATOM 0 HA PRO A 4 17.946 -3.985 -19.371 1.00 0.00 H new ATOM 0 HB2 PRO A 4 16.160 -1.535 -19.579 1.00 0.00 H new ATOM 0 HB3 PRO A 4 17.426 -1.857 -18.411 1.00 0.00 H new ATOM 0 HG2 PRO A 4 17.925 -0.136 -20.438 1.00 0.00 H new ATOM 0 HG3 PRO A 4 19.182 -1.257 -19.952 1.00 0.00 H new ATOM 0 HD2 PRO A 4 17.243 -1.488 -22.292 1.00 0.00 H new ATOM 0 HD3 PRO A 4 18.958 -1.847 -22.264 1.00 0.00 H new ATOM 69 N ALA A 5 15.724 -4.826 -18.712 1.00 0.00 N ATOM 70 CA ALA A 5 14.469 -5.493 -18.356 1.00 0.00 C ATOM 71 C ALA A 5 13.388 -4.510 -17.852 1.00 0.00 C ATOM 72 O ALA A 5 13.688 -3.426 -17.348 1.00 0.00 O ATOM 73 CB ALA A 5 14.777 -6.575 -17.311 1.00 0.00 C ATOM 0 H ALA A 5 16.464 -4.970 -18.025 1.00 0.00 H new ATOM 0 HA ALA A 5 14.049 -5.947 -19.253 1.00 0.00 H new ATOM 0 HB1 ALA A 5 13.855 -7.084 -17.032 1.00 0.00 H new ATOM 0 HB2 ALA A 5 15.478 -7.297 -17.730 1.00 0.00 H new ATOM 0 HB3 ALA A 5 15.218 -6.113 -16.428 1.00 0.00 H new ATOM 79 N ASP A 6 12.120 -4.924 -17.928 1.00 0.00 N ATOM 80 CA ASP A 6 10.952 -4.219 -17.365 1.00 0.00 C ATOM 81 C ASP A 6 10.706 -4.513 -15.866 1.00 0.00 C ATOM 82 O ASP A 6 9.684 -4.120 -15.302 1.00 0.00 O ATOM 83 CB ASP A 6 9.699 -4.493 -18.223 1.00 0.00 C ATOM 84 CG ASP A 6 9.298 -5.974 -18.390 1.00 0.00 C ATOM 85 OD1 ASP A 6 8.212 -6.219 -18.964 1.00 0.00 O ATOM 86 OD2 ASP A 6 10.061 -6.892 -18.001 1.00 0.00 O ATOM 0 H ASP A 6 11.863 -5.791 -18.400 1.00 0.00 H new ATOM 0 HA ASP A 6 11.178 -3.153 -17.405 1.00 0.00 H new ATOM 0 HB2 ASP A 6 8.858 -3.958 -17.782 1.00 0.00 H new ATOM 0 HB3 ASP A 6 9.863 -4.069 -19.214 1.00 0.00 H new ATOM 91 N ILE A 7 11.659 -5.177 -15.208 1.00 0.00 N ATOM 92 CA ILE A 7 11.677 -5.478 -13.769 1.00 0.00 C ATOM 93 C ILE A 7 13.094 -5.235 -13.232 1.00 0.00 C ATOM 94 O ILE A 7 14.073 -5.645 -13.862 1.00 0.00 O ATOM 95 CB ILE A 7 11.199 -6.926 -13.479 1.00 0.00 C ATOM 96 CG1 ILE A 7 9.815 -7.222 -14.106 1.00 0.00 C ATOM 97 CG2 ILE A 7 11.181 -7.187 -11.961 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.254 -8.624 -13.836 1.00 0.00 C ATOM 0 H ILE A 7 12.483 -5.539 -15.687 1.00 0.00 H new ATOM 0 HA ILE A 7 10.978 -4.817 -13.257 1.00 0.00 H new ATOM 0 HB ILE A 7 11.910 -7.607 -13.947 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.102 -6.486 -13.734 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.886 -7.080 -15.184 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.844 -8.206 -11.771 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.185 -7.056 -11.557 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.501 -6.484 -11.479 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.282 -8.726 -14.319 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.938 -9.373 -14.235 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.142 -8.770 -12.762 1.00 0.00 H new ATOM 110 N VAL A 8 13.213 -4.584 -12.070 1.00 0.00 N ATOM 111 CA VAL A 8 14.493 -4.207 -11.440 1.00 0.00 C ATOM 112 C VAL A 8 14.526 -4.556 -9.949 1.00 0.00 C ATOM 113 O VAL A 8 13.581 -4.269 -9.215 1.00 0.00 O ATOM 114 CB VAL A 8 14.817 -2.715 -11.668 1.00 0.00 C ATOM 115 CG1 VAL A 8 15.175 -2.448 -13.135 1.00 0.00 C ATOM 116 CG2 VAL A 8 13.704 -1.741 -11.254 1.00 0.00 C ATOM 0 H VAL A 8 12.402 -4.295 -11.523 1.00 0.00 H new ATOM 0 HA VAL A 8 15.270 -4.797 -11.927 1.00 0.00 H new ATOM 0 HB VAL A 8 15.667 -2.523 -11.014 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.399 -1.390 -13.268 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.047 -3.041 -13.410 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.334 -2.724 -13.771 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.024 -0.718 -11.452 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.801 -1.956 -11.826 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.496 -1.857 -10.190 1.00 0.00 H new ATOM 126 N LYS A 9 15.617 -5.176 -9.485 1.00 0.00 N ATOM 127 CA LYS A 9 15.832 -5.512 -8.064 1.00 0.00 C ATOM 128 C LYS A 9 16.289 -4.287 -7.263 1.00 0.00 C ATOM 129 O LYS A 9 17.115 -3.512 -7.745 1.00 0.00 O ATOM 130 CB LYS A 9 16.825 -6.683 -7.951 1.00 0.00 C ATOM 131 CG LYS A 9 16.758 -7.354 -6.570 1.00 0.00 C ATOM 132 CD LYS A 9 17.732 -8.537 -6.474 1.00 0.00 C ATOM 133 CE LYS A 9 17.515 -9.340 -5.185 1.00 0.00 C ATOM 134 NZ LYS A 9 16.384 -10.300 -5.308 1.00 0.00 N ATOM 0 H LYS A 9 16.387 -5.464 -10.089 1.00 0.00 H new ATOM 0 HA LYS A 9 14.884 -5.828 -7.628 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.608 -7.420 -8.724 1.00 0.00 H new ATOM 0 HB3 LYS A 9 17.837 -6.320 -8.131 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.994 -6.623 -5.797 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.742 -7.701 -6.381 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.600 -9.189 -7.337 1.00 0.00 H new ATOM 0 HD3 LYS A 9 18.757 -8.169 -6.507 1.00 0.00 H new ATOM 0 HE2 LYS A 9 18.427 -9.884 -4.939 1.00 0.00 H new ATOM 0 HE3 LYS A 9 17.321 -8.655 -4.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 16.041 -10.555 -4.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 15.612 -9.860 -5.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 16.708 -11.157 -5.801 1.00 0.00 H new ATOM 148 N VAL A 10 15.788 -4.134 -6.040 1.00 0.00 N ATOM 149 CA VAL A 10 16.051 -2.999 -5.135 1.00 0.00 C ATOM 150 C VAL A 10 16.211 -3.460 -3.682 1.00 0.00 C ATOM 151 O VAL A 10 15.710 -4.520 -3.300 1.00 0.00 O ATOM 152 CB VAL A 10 14.941 -1.928 -5.236 1.00 0.00 C ATOM 153 CG1 VAL A 10 14.857 -1.333 -6.646 1.00 0.00 C ATOM 154 CG2 VAL A 10 13.552 -2.449 -4.836 1.00 0.00 C ATOM 0 H VAL A 10 15.159 -4.823 -5.627 1.00 0.00 H new ATOM 0 HA VAL A 10 16.992 -2.551 -5.455 1.00 0.00 H new ATOM 0 HB VAL A 10 15.230 -1.156 -4.523 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.066 -0.584 -6.678 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.809 -0.867 -6.901 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.637 -2.124 -7.362 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.821 -1.646 -4.930 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.271 -3.274 -5.490 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.577 -2.797 -3.803 1.00 0.00 H new ATOM 164 N ALA A 11 16.886 -2.647 -2.864 1.00 0.00 N ATOM 165 CA ALA A 11 17.030 -2.851 -1.419 1.00 0.00 C ATOM 166 C ALA A 11 16.391 -1.683 -0.652 1.00 0.00 C ATOM 167 O ALA A 11 16.821 -0.540 -0.800 1.00 0.00 O ATOM 168 CB ALA A 11 18.517 -3.015 -1.084 1.00 0.00 C ATOM 0 H ALA A 11 17.360 -1.807 -3.197 1.00 0.00 H new ATOM 0 HA ALA A 11 16.508 -3.758 -1.113 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.634 -3.167 -0.011 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.917 -3.876 -1.618 1.00 0.00 H new ATOM 0 HB3 ALA A 11 19.059 -2.118 -1.384 1.00 0.00 H new ATOM 174 N ILE A 12 15.355 -1.955 0.144 1.00 0.00 N ATOM 175 CA ILE A 12 14.529 -0.936 0.808 1.00 0.00 C ATOM 176 C ILE A 12 14.849 -0.880 2.304 1.00 0.00 C ATOM 177 O ILE A 12 14.790 -1.893 2.997 1.00 0.00 O ATOM 178 CB ILE A 12 13.027 -1.196 0.572 1.00 0.00 C ATOM 179 CG1 ILE A 12 12.698 -1.355 -0.931 1.00 0.00 C ATOM 180 CG2 ILE A 12 12.178 -0.054 1.178 1.00 0.00 C ATOM 181 CD1 ILE A 12 11.376 -2.084 -1.142 1.00 0.00 C ATOM 0 H ILE A 12 15.058 -2.909 0.351 1.00 0.00 H new ATOM 0 HA ILE A 12 14.767 0.033 0.370 1.00 0.00 H new ATOM 0 HB ILE A 12 12.780 -2.134 1.070 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.651 -0.372 -1.400 1.00 0.00 H new ATOM 0 HG13 ILE A 12 13.500 -1.905 -1.423 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.121 -0.254 1.002 1.00 0.00 H new ATOM 0 HG22 ILE A 12 12.362 0.007 2.251 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.452 0.891 0.709 1.00 0.00 H new ATOM 0 HD11 ILE A 12 11.178 -2.177 -2.210 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.433 -3.077 -0.696 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.570 -1.520 -0.672 1.00 0.00 H new ATOM 193 N GLU A 13 15.153 0.306 2.813 1.00 0.00 N ATOM 194 CA GLU A 13 15.403 0.574 4.234 1.00 0.00 C ATOM 195 C GLU A 13 14.124 0.937 5.012 1.00 0.00 C ATOM 196 O GLU A 13 13.208 1.574 4.481 1.00 0.00 O ATOM 197 CB GLU A 13 16.448 1.692 4.385 1.00 0.00 C ATOM 198 CG GLU A 13 17.816 1.311 3.793 1.00 0.00 C ATOM 199 CD GLU A 13 18.944 2.275 4.221 1.00 0.00 C ATOM 200 OE1 GLU A 13 20.112 1.825 4.317 1.00 0.00 O ATOM 201 OE2 GLU A 13 18.686 3.479 4.465 1.00 0.00 O ATOM 0 H GLU A 13 15.237 1.141 2.233 1.00 0.00 H new ATOM 0 HA GLU A 13 15.784 -0.351 4.667 1.00 0.00 H new ATOM 0 HB2 GLU A 13 16.083 2.594 3.894 1.00 0.00 H new ATOM 0 HB3 GLU A 13 16.568 1.931 5.442 1.00 0.00 H new ATOM 0 HG2 GLU A 13 18.072 0.298 4.105 1.00 0.00 H new ATOM 0 HG3 GLU A 13 17.746 1.301 2.705 1.00 0.00 H new ATOM 208 N TRP A 14 14.101 0.589 6.303 1.00 0.00 N ATOM 209 CA TRP A 14 13.097 1.002 7.293 1.00 0.00 C ATOM 210 C TRP A 14 13.726 1.031 8.706 1.00 0.00 C ATOM 211 O TRP A 14 14.565 0.169 8.994 1.00 0.00 O ATOM 212 CB TRP A 14 11.893 0.050 7.236 1.00 0.00 C ATOM 213 CG TRP A 14 10.809 0.334 8.229 1.00 0.00 C ATOM 214 CD1 TRP A 14 10.576 -0.364 9.363 1.00 0.00 C ATOM 215 CD2 TRP A 14 9.843 1.430 8.234 1.00 0.00 C ATOM 216 NE1 TRP A 14 9.534 0.215 10.063 1.00 0.00 N ATOM 217 CE2 TRP A 14 9.055 1.337 9.422 1.00 0.00 C ATOM 218 CE3 TRP A 14 9.595 2.527 7.384 1.00 0.00 C ATOM 219 CZ2 TRP A 14 8.059 2.275 9.738 1.00 0.00 C ATOM 220 CZ3 TRP A 14 8.604 3.478 7.693 1.00 0.00 C ATOM 221 CH2 TRP A 14 7.832 3.352 8.864 1.00 0.00 C ATOM 0 H TRP A 14 14.815 -0.017 6.707 1.00 0.00 H new ATOM 0 HA TRP A 14 12.748 2.008 7.062 1.00 0.00 H new ATOM 0 HB2 TRP A 14 11.466 0.090 6.234 1.00 0.00 H new ATOM 0 HB3 TRP A 14 12.248 -0.969 7.391 1.00 0.00 H new ATOM 0 HD1 TRP A 14 11.122 -1.242 9.675 1.00 0.00 H new ATOM 0 HE1 TRP A 14 9.166 -0.143 10.944 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.175 2.640 6.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 7.475 2.170 10.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.434 4.311 7.027 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.068 4.081 9.090 1.00 0.00 H new ATOM 232 N PRO A 15 13.380 1.985 9.601 1.00 0.00 N ATOM 233 CA PRO A 15 14.024 2.107 10.912 1.00 0.00 C ATOM 234 C PRO A 15 13.853 0.863 11.798 1.00 0.00 C ATOM 235 O PRO A 15 12.767 0.283 11.887 1.00 0.00 O ATOM 236 CB PRO A 15 13.427 3.360 11.564 1.00 0.00 C ATOM 237 CG PRO A 15 12.992 4.197 10.364 1.00 0.00 C ATOM 238 CD PRO A 15 12.497 3.125 9.398 1.00 0.00 C ATOM 0 HA PRO A 15 15.104 2.194 10.789 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.585 3.116 12.212 1.00 0.00 H new ATOM 0 HB3 PRO A 15 14.160 3.884 12.177 1.00 0.00 H new ATOM 0 HG2 PRO A 15 12.207 4.907 10.624 1.00 0.00 H new ATOM 0 HG3 PRO A 15 13.818 4.773 9.947 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.460 2.860 9.603 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.539 3.476 8.367 1.00 0.00 H new ATOM 246 N GLY A 16 14.933 0.454 12.472 1.00 0.00 N ATOM 247 CA GLY A 16 14.952 -0.715 13.364 1.00 0.00 C ATOM 248 C GLY A 16 14.881 -2.083 12.663 1.00 0.00 C ATOM 249 O GLY A 16 14.657 -3.092 13.337 1.00 0.00 O ATOM 0 H GLY A 16 15.833 0.931 12.414 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.863 -0.679 13.962 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.113 -0.636 14.056 1.00 0.00 H new ATOM 253 N ALA A 17 15.063 -2.138 11.338 1.00 0.00 N ATOM 254 CA ALA A 17 14.992 -3.356 10.525 1.00 0.00 C ATOM 255 C ALA A 17 16.136 -3.454 9.496 1.00 0.00 C ATOM 256 O ALA A 17 16.674 -2.443 9.033 1.00 0.00 O ATOM 257 CB ALA A 17 13.618 -3.411 9.841 1.00 0.00 C ATOM 0 H ALA A 17 15.271 -1.307 10.785 1.00 0.00 H new ATOM 0 HA ALA A 17 15.115 -4.217 11.182 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.551 -4.313 9.232 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.835 -3.425 10.599 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.492 -2.534 9.206 1.00 0.00 H new ATOM 263 N TYR A 18 16.490 -4.685 9.115 1.00 0.00 N ATOM 264 CA TYR A 18 17.415 -4.960 8.007 1.00 0.00 C ATOM 265 C TYR A 18 16.779 -4.606 6.642 1.00 0.00 C ATOM 266 O TYR A 18 15.552 -4.702 6.509 1.00 0.00 O ATOM 267 CB TYR A 18 17.841 -6.435 8.039 1.00 0.00 C ATOM 268 CG TYR A 18 18.524 -6.860 9.328 1.00 0.00 C ATOM 269 CD1 TYR A 18 17.832 -7.641 10.276 1.00 0.00 C ATOM 270 CD2 TYR A 18 19.853 -6.465 9.580 1.00 0.00 C ATOM 271 CE1 TYR A 18 18.465 -8.026 11.475 1.00 0.00 C ATOM 272 CE2 TYR A 18 20.489 -6.847 10.777 1.00 0.00 C ATOM 273 CZ TYR A 18 19.797 -7.629 11.730 1.00 0.00 C ATOM 274 OH TYR A 18 20.420 -7.994 12.885 1.00 0.00 O ATOM 0 H TYR A 18 16.140 -5.528 9.570 1.00 0.00 H new ATOM 0 HA TYR A 18 18.297 -4.331 8.131 1.00 0.00 H new ATOM 0 HB2 TYR A 18 16.961 -7.059 7.885 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.516 -6.625 7.204 1.00 0.00 H new ATOM 0 HD1 TYR A 18 16.814 -7.945 10.083 1.00 0.00 H new ATOM 0 HD2 TYR A 18 20.385 -5.868 8.854 1.00 0.00 H new ATOM 0 HE1 TYR A 18 17.932 -8.624 12.199 1.00 0.00 H new ATOM 0 HE2 TYR A 18 21.507 -6.542 10.967 1.00 0.00 H new ATOM 0 HH TYR A 18 21.332 -7.635 12.892 1.00 0.00 H new ATOM 284 N PRO A 19 17.566 -4.230 5.611 1.00 0.00 N ATOM 285 CA PRO A 19 17.028 -3.872 4.299 1.00 0.00 C ATOM 286 C PRO A 19 16.243 -5.013 3.631 1.00 0.00 C ATOM 287 O PRO A 19 16.731 -6.142 3.521 1.00 0.00 O ATOM 288 CB PRO A 19 18.223 -3.425 3.448 1.00 0.00 C ATOM 289 CG PRO A 19 19.241 -2.973 4.492 1.00 0.00 C ATOM 290 CD PRO A 19 18.994 -3.941 5.649 1.00 0.00 C ATOM 0 HA PRO A 19 16.296 -3.072 4.405 1.00 0.00 H new ATOM 0 HB2 PRO A 19 18.609 -4.240 2.835 1.00 0.00 H new ATOM 0 HB3 PRO A 19 17.954 -2.615 2.770 1.00 0.00 H new ATOM 0 HG2 PRO A 19 20.262 -3.043 4.118 1.00 0.00 H new ATOM 0 HG3 PRO A 19 19.081 -1.937 4.791 1.00 0.00 H new ATOM 0 HD2 PRO A 19 19.583 -4.851 5.533 1.00 0.00 H new ATOM 0 HD3 PRO A 19 19.280 -3.496 6.602 1.00 0.00 H new ATOM 298 N LYS A 20 15.031 -4.711 3.154 1.00 0.00 N ATOM 299 CA LYS A 20 14.167 -5.626 2.397 1.00 0.00 C ATOM 300 C LYS A 20 14.581 -5.648 0.925 1.00 0.00 C ATOM 301 O LYS A 20 14.404 -4.658 0.214 1.00 0.00 O ATOM 302 CB LYS A 20 12.697 -5.208 2.596 1.00 0.00 C ATOM 303 CG LYS A 20 11.705 -5.990 1.720 1.00 0.00 C ATOM 304 CD LYS A 20 10.255 -5.693 2.134 1.00 0.00 C ATOM 305 CE LYS A 20 9.219 -6.275 1.158 1.00 0.00 C ATOM 306 NZ LYS A 20 9.270 -7.760 1.061 1.00 0.00 N ATOM 0 H LYS A 20 14.609 -3.792 3.288 1.00 0.00 H new ATOM 0 HA LYS A 20 14.277 -6.646 2.766 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.429 -5.345 3.643 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.599 -4.144 2.379 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.850 -5.724 0.673 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.901 -7.059 1.807 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.077 -6.100 3.129 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.116 -4.614 2.201 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.221 -5.973 1.476 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.382 -5.847 0.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.548 -8.089 0.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.211 -8.054 0.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.086 -8.176 1.997 1.00 0.00 H new ATOM 320 N LEU A 21 15.120 -6.775 0.465 1.00 0.00 N ATOM 321 CA LEU A 21 15.354 -7.035 -0.957 1.00 0.00 C ATOM 322 C LEU A 21 14.030 -7.425 -1.634 1.00 0.00 C ATOM 323 O LEU A 21 13.342 -8.338 -1.167 1.00 0.00 O ATOM 324 CB LEU A 21 16.411 -8.143 -1.126 1.00 0.00 C ATOM 325 CG LEU A 21 17.840 -7.715 -0.741 1.00 0.00 C ATOM 326 CD1 LEU A 21 18.741 -8.943 -0.613 1.00 0.00 C ATOM 327 CD2 LEU A 21 18.454 -6.791 -1.796 1.00 0.00 C ATOM 0 H LEU A 21 15.410 -7.541 1.073 1.00 0.00 H new ATOM 0 HA LEU A 21 15.734 -6.132 -1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.124 -9.000 -0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.410 -8.475 -2.164 1.00 0.00 H new ATOM 0 HG LEU A 21 17.770 -7.185 0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 21 19.748 -8.628 -0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 21 18.347 -9.605 0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.771 -9.473 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 21 19.462 -6.509 -1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 21 18.496 -7.310 -2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 21 17.841 -5.895 -1.896 1.00 0.00 H new ATOM 339 N MET A 22 13.678 -6.755 -2.731 1.00 0.00 N ATOM 340 CA MET A 22 12.518 -7.094 -3.568 1.00 0.00 C ATOM 341 C MET A 22 12.698 -6.600 -5.010 1.00 0.00 C ATOM 342 O MET A 22 13.691 -5.949 -5.335 1.00 0.00 O ATOM 343 CB MET A 22 11.220 -6.555 -2.931 1.00 0.00 C ATOM 344 CG MET A 22 10.982 -5.053 -3.087 1.00 0.00 C ATOM 345 SD MET A 22 9.360 -4.548 -2.448 1.00 0.00 S ATOM 346 CE MET A 22 8.273 -5.076 -3.800 1.00 0.00 C ATOM 0 H MET A 22 14.198 -5.946 -3.072 1.00 0.00 H new ATOM 0 HA MET A 22 12.440 -8.180 -3.619 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.374 -7.086 -3.368 1.00 0.00 H new ATOM 0 HB3 MET A 22 11.232 -6.794 -1.868 1.00 0.00 H new ATOM 0 HG2 MET A 22 11.765 -4.506 -2.561 1.00 0.00 H new ATOM 0 HG3 MET A 22 11.056 -4.782 -4.140 1.00 0.00 H new ATOM 0 HE1 MET A 22 7.259 -4.723 -3.611 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.633 -4.659 -4.740 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.272 -6.164 -3.862 1.00 0.00 H new ATOM 356 N GLU A 23 11.730 -6.885 -5.882 1.00 0.00 N ATOM 357 CA GLU A 23 11.719 -6.427 -7.273 1.00 0.00 C ATOM 358 C GLU A 23 10.583 -5.432 -7.547 1.00 0.00 C ATOM 359 O GLU A 23 9.431 -5.648 -7.161 1.00 0.00 O ATOM 360 CB GLU A 23 11.641 -7.618 -8.234 1.00 0.00 C ATOM 361 CG GLU A 23 12.872 -8.536 -8.169 1.00 0.00 C ATOM 362 CD GLU A 23 12.861 -9.516 -6.977 1.00 0.00 C ATOM 363 OE1 GLU A 23 11.838 -10.206 -6.748 1.00 0.00 O ATOM 364 OE2 GLU A 23 13.896 -9.620 -6.275 1.00 0.00 O ATOM 0 H GLU A 23 10.917 -7.451 -5.638 1.00 0.00 H new ATOM 0 HA GLU A 23 12.657 -5.899 -7.445 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.749 -8.202 -8.006 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.527 -7.247 -9.252 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.936 -9.107 -9.095 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.769 -7.920 -8.112 1.00 0.00 H new ATOM 371 N ILE A 24 10.916 -4.351 -8.253 1.00 0.00 N ATOM 372 CA ILE A 24 9.982 -3.352 -8.780 1.00 0.00 C ATOM 373 C ILE A 24 9.661 -3.715 -10.232 1.00 0.00 C ATOM 374 O ILE A 24 10.513 -3.633 -11.119 1.00 0.00 O ATOM 375 CB ILE A 24 10.564 -1.930 -8.585 1.00 0.00 C ATOM 376 CG1 ILE A 24 10.473 -1.604 -7.076 1.00 0.00 C ATOM 377 CG2 ILE A 24 9.858 -0.858 -9.443 1.00 0.00 C ATOM 378 CD1 ILE A 24 10.955 -0.212 -6.668 1.00 0.00 C ATOM 0 H ILE A 24 11.886 -4.137 -8.484 1.00 0.00 H new ATOM 0 HA ILE A 24 9.038 -3.351 -8.236 1.00 0.00 H new ATOM 0 HB ILE A 24 11.599 -1.915 -8.926 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.436 -1.716 -6.761 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.054 -2.345 -6.527 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.314 0.114 -9.258 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.959 -1.112 -10.498 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.801 -0.819 -9.179 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.847 -0.091 -5.590 1.00 0.00 H new ATOM 0 HD12 ILE A 24 12.003 -0.095 -6.943 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.359 0.544 -7.180 1.00 0.00 H new ATOM 390 N ASP A 25 8.424 -4.153 -10.456 1.00 0.00 N ATOM 391 CA ASP A 25 7.869 -4.476 -11.771 1.00 0.00 C ATOM 392 C ASP A 25 7.260 -3.221 -12.408 1.00 0.00 C ATOM 393 O ASP A 25 6.274 -2.676 -11.905 1.00 0.00 O ATOM 394 CB ASP A 25 6.840 -5.603 -11.585 1.00 0.00 C ATOM 395 CG ASP A 25 6.115 -6.062 -12.859 1.00 0.00 C ATOM 396 OD1 ASP A 25 6.297 -5.450 -13.935 1.00 0.00 O ATOM 397 OD2 ASP A 25 5.342 -7.043 -12.752 1.00 0.00 O ATOM 0 H ASP A 25 7.755 -4.298 -9.700 1.00 0.00 H new ATOM 0 HA ASP A 25 8.645 -4.822 -12.454 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.346 -6.463 -11.148 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.093 -5.272 -10.863 1.00 0.00 H new ATOM 402 N GLN A 26 7.828 -2.753 -13.519 1.00 0.00 N ATOM 403 CA GLN A 26 7.397 -1.515 -14.174 1.00 0.00 C ATOM 404 C GLN A 26 6.021 -1.622 -14.864 1.00 0.00 C ATOM 405 O GLN A 26 5.448 -0.595 -15.237 1.00 0.00 O ATOM 406 CB GLN A 26 8.493 -0.985 -15.117 1.00 0.00 C ATOM 407 CG GLN A 26 9.859 -0.736 -14.442 1.00 0.00 C ATOM 408 CD GLN A 26 9.911 0.429 -13.443 1.00 0.00 C ATOM 409 OE1 GLN A 26 8.919 0.922 -12.915 1.00 0.00 O ATOM 410 NE2 GLN A 26 11.094 0.918 -13.140 1.00 0.00 N ATOM 0 H GLN A 26 8.601 -3.221 -13.992 1.00 0.00 H new ATOM 0 HA GLN A 26 7.250 -0.779 -13.383 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.629 -1.698 -15.930 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.149 -0.053 -15.565 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.158 -1.647 -13.924 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.600 -0.555 -15.221 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.933 0.524 -13.566 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.172 1.691 -12.479 1.00 0.00 H new ATOM 419 N LYS A 27 5.454 -2.832 -14.994 1.00 0.00 N ATOM 420 CA LYS A 27 4.066 -3.058 -15.442 1.00 0.00 C ATOM 421 C LYS A 27 3.038 -2.975 -14.299 1.00 0.00 C ATOM 422 O LYS A 27 1.860 -2.731 -14.570 1.00 0.00 O ATOM 423 CB LYS A 27 3.958 -4.420 -16.157 1.00 0.00 C ATOM 424 CG LYS A 27 4.954 -4.643 -17.310 1.00 0.00 C ATOM 425 CD LYS A 27 4.830 -3.604 -18.435 1.00 0.00 C ATOM 426 CE LYS A 27 5.787 -3.960 -19.577 1.00 0.00 C ATOM 427 NZ LYS A 27 5.680 -2.998 -20.706 1.00 0.00 N ATOM 0 H LYS A 27 5.954 -3.697 -14.788 1.00 0.00 H new ATOM 0 HA LYS A 27 3.825 -2.253 -16.136 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.099 -5.210 -15.420 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.946 -4.526 -16.548 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.969 -4.618 -16.913 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.799 -5.638 -17.726 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.805 -3.574 -18.803 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.060 -2.610 -18.052 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.811 -3.970 -19.204 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.568 -4.966 -19.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.343 -3.272 -21.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.709 -3.007 -21.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.913 -2.042 -20.371 1.00 0.00 H new ATOM 441 N LYS A 28 3.452 -3.163 -13.036 1.00 0.00 N ATOM 442 CA LYS A 28 2.576 -3.075 -11.849 1.00 0.00 C ATOM 443 C LYS A 28 2.337 -1.630 -11.393 1.00 0.00 C ATOM 444 O LYS A 28 3.248 -0.803 -11.510 1.00 0.00 O ATOM 445 CB LYS A 28 3.151 -3.887 -10.675 1.00 0.00 C ATOM 446 CG LYS A 28 2.858 -5.381 -10.828 1.00 0.00 C ATOM 447 CD LYS A 28 3.318 -6.156 -9.585 1.00 0.00 C ATOM 448 CE LYS A 28 3.031 -7.651 -9.748 1.00 0.00 C ATOM 449 NZ LYS A 28 4.029 -8.324 -10.624 1.00 0.00 N ATOM 0 H LYS A 28 4.420 -3.384 -12.803 1.00 0.00 H new ATOM 0 HA LYS A 28 1.617 -3.495 -12.153 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.228 -3.731 -10.617 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.725 -3.526 -9.739 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.790 -5.533 -10.982 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.366 -5.767 -11.712 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.385 -6.000 -9.426 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.805 -5.776 -8.702 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.031 -8.128 -8.768 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.034 -7.784 -10.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.578 -9.123 -11.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.388 -7.646 -11.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.819 -8.673 -10.045 1.00 0.00 H new ATOM 463 N PRO A 29 1.165 -1.314 -10.812 1.00 0.00 N ATOM 464 CA PRO A 29 0.928 -0.035 -10.144 1.00 0.00 C ATOM 465 C PRO A 29 1.784 0.089 -8.880 1.00 0.00 C ATOM 466 O PRO A 29 2.007 -0.885 -8.158 1.00 0.00 O ATOM 467 CB PRO A 29 -0.568 -0.018 -9.809 1.00 0.00 C ATOM 468 CG PRO A 29 -0.941 -1.492 -9.694 1.00 0.00 C ATOM 469 CD PRO A 29 0.010 -2.192 -10.662 1.00 0.00 C ATOM 0 HA PRO A 29 1.203 0.809 -10.777 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.762 0.516 -8.879 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.145 0.480 -10.588 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.813 -1.857 -8.675 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.983 -1.662 -9.965 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.310 -3.166 -10.275 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.473 -2.366 -11.623 1.00 0.00 H new ATOM 477 N LEU A 30 2.217 1.312 -8.570 1.00 0.00 N ATOM 478 CA LEU A 30 2.999 1.598 -7.363 1.00 0.00 C ATOM 479 C LEU A 30 2.231 1.276 -6.074 1.00 0.00 C ATOM 480 O LEU A 30 2.850 0.848 -5.108 1.00 0.00 O ATOM 481 CB LEU A 30 3.465 3.064 -7.404 1.00 0.00 C ATOM 482 CG LEU A 30 4.748 3.233 -8.237 1.00 0.00 C ATOM 483 CD1 LEU A 30 4.892 4.695 -8.633 1.00 0.00 C ATOM 484 CD2 LEU A 30 5.998 2.806 -7.465 1.00 0.00 C ATOM 0 H LEU A 30 2.036 2.133 -9.148 1.00 0.00 H new ATOM 0 HA LEU A 30 3.871 0.944 -7.351 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.674 3.685 -7.825 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.642 3.418 -6.388 1.00 0.00 H new ATOM 0 HG LEU A 30 4.661 2.593 -9.115 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.799 4.824 -9.224 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.028 4.999 -9.224 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.953 5.311 -7.736 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.878 2.943 -8.093 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.096 3.414 -6.566 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.912 1.756 -7.185 1.00 0.00 H new ATOM 496 N SER A 31 0.898 1.378 -6.066 1.00 0.00 N ATOM 497 CA SER A 31 0.060 0.944 -4.935 1.00 0.00 C ATOM 498 C SER A 31 0.247 -0.548 -4.611 1.00 0.00 C ATOM 499 O SER A 31 0.485 -0.898 -3.453 1.00 0.00 O ATOM 500 CB SER A 31 -1.410 1.259 -5.242 1.00 0.00 C ATOM 501 OG SER A 31 -2.270 0.825 -4.203 1.00 0.00 O ATOM 0 H SER A 31 0.365 1.765 -6.845 1.00 0.00 H new ATOM 0 HA SER A 31 0.373 1.495 -4.048 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.529 2.333 -5.387 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.697 0.777 -6.177 1.00 0.00 H new ATOM 0 HG SER A 31 -3.197 1.044 -4.433 1.00 0.00 H new ATOM 507 N ALA A 32 0.242 -1.427 -5.624 1.00 0.00 N ATOM 508 CA ALA A 32 0.496 -2.863 -5.443 1.00 0.00 C ATOM 509 C ALA A 32 1.917 -3.138 -4.916 1.00 0.00 C ATOM 510 O ALA A 32 2.102 -3.968 -4.025 1.00 0.00 O ATOM 511 CB ALA A 32 0.252 -3.590 -6.776 1.00 0.00 C ATOM 0 H ALA A 32 0.062 -1.162 -6.592 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.193 -3.243 -4.688 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.439 -4.656 -6.648 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.781 -3.438 -7.090 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.925 -3.192 -7.536 1.00 0.00 H new ATOM 517 N ILE A 33 2.917 -2.411 -5.425 1.00 0.00 N ATOM 518 CA ILE A 33 4.315 -2.535 -4.986 1.00 0.00 C ATOM 519 C ILE A 33 4.468 -2.063 -3.533 1.00 0.00 C ATOM 520 O ILE A 33 5.009 -2.797 -2.713 1.00 0.00 O ATOM 521 CB ILE A 33 5.256 -1.778 -5.950 1.00 0.00 C ATOM 522 CG1 ILE A 33 5.152 -2.370 -7.377 1.00 0.00 C ATOM 523 CG2 ILE A 33 6.715 -1.824 -5.454 1.00 0.00 C ATOM 524 CD1 ILE A 33 5.877 -1.551 -8.448 1.00 0.00 C ATOM 0 H ILE A 33 2.781 -1.715 -6.158 1.00 0.00 H new ATOM 0 HA ILE A 33 4.603 -3.586 -5.015 1.00 0.00 H new ATOM 0 HB ILE A 33 4.943 -0.734 -5.978 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.560 -3.381 -7.370 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.100 -2.453 -7.649 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.354 -1.283 -6.152 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.779 -1.360 -4.470 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.045 -2.861 -5.389 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.756 -2.033 -9.418 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.455 -0.547 -8.486 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.937 -1.489 -8.203 1.00 0.00 H new ATOM 536 N ILE A 34 3.944 -0.887 -3.174 1.00 0.00 N ATOM 537 CA ILE A 34 4.008 -0.328 -1.811 1.00 0.00 C ATOM 538 C ILE A 34 3.283 -1.242 -0.807 1.00 0.00 C ATOM 539 O ILE A 34 3.783 -1.449 0.301 1.00 0.00 O ATOM 540 CB ILE A 34 3.466 1.123 -1.811 1.00 0.00 C ATOM 541 CG1 ILE A 34 4.419 2.054 -2.602 1.00 0.00 C ATOM 542 CG2 ILE A 34 3.297 1.676 -0.383 1.00 0.00 C ATOM 543 CD1 ILE A 34 3.764 3.363 -3.062 1.00 0.00 C ATOM 0 H ILE A 34 3.453 -0.282 -3.832 1.00 0.00 H new ATOM 0 HA ILE A 34 5.047 -0.285 -1.484 1.00 0.00 H new ATOM 0 HB ILE A 34 2.486 1.097 -2.288 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.282 2.290 -1.979 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.793 1.519 -3.475 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.915 2.696 -0.431 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.595 1.051 0.169 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.262 1.673 0.125 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.492 3.962 -3.609 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.918 3.138 -3.712 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.415 3.920 -2.193 1.00 0.00 H new ATOM 555 N LYS A 35 2.164 -1.867 -1.206 1.00 0.00 N ATOM 556 CA LYS A 35 1.480 -2.904 -0.417 1.00 0.00 C ATOM 557 C LYS A 35 2.376 -4.127 -0.159 1.00 0.00 C ATOM 558 O LYS A 35 2.420 -4.633 0.961 1.00 0.00 O ATOM 559 CB LYS A 35 0.156 -3.282 -1.105 1.00 0.00 C ATOM 560 CG LYS A 35 -0.768 -4.064 -0.162 1.00 0.00 C ATOM 561 CD LYS A 35 -2.104 -4.387 -0.845 1.00 0.00 C ATOM 562 CE LYS A 35 -3.023 -5.129 0.132 1.00 0.00 C ATOM 563 NZ LYS A 35 -4.324 -5.478 -0.496 1.00 0.00 N ATOM 0 H LYS A 35 1.704 -1.665 -2.094 1.00 0.00 H new ATOM 0 HA LYS A 35 1.254 -2.498 0.569 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.350 -2.378 -1.444 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.364 -3.882 -1.991 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.280 -4.989 0.147 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.949 -3.482 0.742 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.583 -3.467 -1.181 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.931 -4.998 -1.731 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.530 -6.038 0.477 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.198 -4.508 1.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.919 -5.979 0.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.806 -4.609 -0.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.159 -6.091 -1.320 1.00 0.00 H new ATOM 577 N GLU A 36 3.152 -4.563 -1.151 1.00 0.00 N ATOM 578 CA GLU A 36 4.154 -5.621 -1.012 1.00 0.00 C ATOM 579 C GLU A 36 5.388 -5.199 -0.183 1.00 0.00 C ATOM 580 O GLU A 36 6.005 -6.059 0.451 1.00 0.00 O ATOM 581 CB GLU A 36 4.554 -6.090 -2.422 1.00 0.00 C ATOM 582 CG GLU A 36 3.520 -7.018 -3.080 1.00 0.00 C ATOM 583 CD GLU A 36 3.316 -8.355 -2.336 1.00 0.00 C ATOM 584 OE1 GLU A 36 4.304 -8.949 -1.841 1.00 0.00 O ATOM 585 OE2 GLU A 36 2.159 -8.837 -2.267 1.00 0.00 O ATOM 0 H GLU A 36 3.101 -4.182 -2.096 1.00 0.00 H new ATOM 0 HA GLU A 36 3.710 -6.442 -0.448 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.702 -5.217 -3.057 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.511 -6.609 -2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.564 -6.497 -3.139 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.833 -7.227 -4.103 1.00 0.00 H new ATOM 592 N VAL A 37 5.734 -3.901 -0.110 1.00 0.00 N ATOM 593 CA VAL A 37 6.766 -3.403 0.824 1.00 0.00 C ATOM 594 C VAL A 37 6.284 -3.502 2.274 1.00 0.00 C ATOM 595 O VAL A 37 6.897 -4.201 3.084 1.00 0.00 O ATOM 596 CB VAL A 37 7.230 -1.952 0.561 1.00 0.00 C ATOM 597 CG1 VAL A 37 8.437 -1.647 1.457 1.00 0.00 C ATOM 598 CG2 VAL A 37 7.660 -1.660 -0.874 1.00 0.00 C ATOM 0 H VAL A 37 5.313 -3.174 -0.688 1.00 0.00 H new ATOM 0 HA VAL A 37 7.625 -4.050 0.649 1.00 0.00 H new ATOM 0 HB VAL A 37 6.359 -1.331 0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.773 -0.625 1.280 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.151 -1.759 2.503 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.246 -2.340 1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.967 -0.618 -0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.495 -2.307 -1.142 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.825 -1.847 -1.549 1.00 0.00 H new ATOM 608 N CYS A 38 5.202 -2.792 2.611 1.00 0.00 N ATOM 609 CA CYS A 38 4.745 -2.608 3.993 1.00 0.00 C ATOM 610 C CYS A 38 4.328 -3.929 4.663 1.00 0.00 C ATOM 611 O CYS A 38 4.612 -4.121 5.846 1.00 0.00 O ATOM 612 CB CYS A 38 3.629 -1.551 4.016 1.00 0.00 C ATOM 613 SG CYS A 38 2.195 -2.070 3.048 1.00 0.00 S ATOM 0 H CYS A 38 4.612 -2.323 1.924 1.00 0.00 H new ATOM 0 HA CYS A 38 5.581 -2.247 4.592 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.325 -1.366 5.046 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.012 -0.609 3.623 1.00 0.00 H new ATOM 0 HG CYS A 38 2.518 -3.086 2.304 1.00 0.00 H new ATOM 619 N ASP A 39 3.761 -4.881 3.912 1.00 0.00 N ATOM 620 CA ASP A 39 3.439 -6.228 4.402 1.00 0.00 C ATOM 621 C ASP A 39 4.683 -7.012 4.875 1.00 0.00 C ATOM 622 O ASP A 39 4.592 -7.823 5.798 1.00 0.00 O ATOM 623 CB ASP A 39 2.717 -7.000 3.287 1.00 0.00 C ATOM 624 CG ASP A 39 2.169 -8.358 3.759 1.00 0.00 C ATOM 625 OD1 ASP A 39 1.488 -8.413 4.812 1.00 0.00 O ATOM 626 OD2 ASP A 39 2.383 -9.373 3.053 1.00 0.00 O ATOM 0 H ASP A 39 3.509 -4.736 2.934 1.00 0.00 H new ATOM 0 HA ASP A 39 2.796 -6.120 5.275 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.895 -6.394 2.906 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.406 -7.160 2.458 1.00 0.00 H new ATOM 631 N GLY A 40 5.862 -6.728 4.304 1.00 0.00 N ATOM 632 CA GLY A 40 7.144 -7.315 4.718 1.00 0.00 C ATOM 633 C GLY A 40 7.584 -6.929 6.138 1.00 0.00 C ATOM 634 O GLY A 40 8.325 -7.681 6.777 1.00 0.00 O ATOM 0 H GLY A 40 5.953 -6.072 3.528 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.071 -8.401 4.655 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.917 -7.006 4.014 1.00 0.00 H new ATOM 638 N TRP A 41 7.084 -5.800 6.654 1.00 0.00 N ATOM 639 CA TRP A 41 7.265 -5.330 8.036 1.00 0.00 C ATOM 640 C TRP A 41 5.943 -5.264 8.834 1.00 0.00 C ATOM 641 O TRP A 41 5.897 -4.670 9.913 1.00 0.00 O ATOM 642 CB TRP A 41 8.016 -3.992 7.996 1.00 0.00 C ATOM 643 CG TRP A 41 9.418 -4.054 7.461 1.00 0.00 C ATOM 644 CD1 TRP A 41 10.410 -4.841 7.941 1.00 0.00 C ATOM 645 CD2 TRP A 41 10.007 -3.308 6.352 1.00 0.00 C ATOM 646 NE1 TRP A 41 11.563 -4.640 7.206 1.00 0.00 N ATOM 647 CE2 TRP A 41 11.378 -3.691 6.227 1.00 0.00 C ATOM 648 CE3 TRP A 41 9.527 -2.340 5.443 1.00 0.00 C ATOM 649 CZ2 TRP A 41 12.230 -3.136 5.264 1.00 0.00 C ATOM 650 CZ3 TRP A 41 10.377 -1.777 4.471 1.00 0.00 C ATOM 651 CH2 TRP A 41 11.720 -2.171 4.381 1.00 0.00 C ATOM 0 H TRP A 41 6.517 -5.160 6.097 1.00 0.00 H new ATOM 0 HA TRP A 41 7.863 -6.057 8.585 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.444 -3.292 7.387 1.00 0.00 H new ATOM 0 HB3 TRP A 41 8.049 -3.583 9.006 1.00 0.00 H new ATOM 0 HD1 TRP A 41 10.315 -5.523 8.773 1.00 0.00 H new ATOM 0 HE1 TRP A 41 12.441 -5.133 7.369 1.00 0.00 H new ATOM 0 HE3 TRP A 41 8.495 -2.027 5.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 13.263 -3.445 5.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 9.991 -1.035 3.788 1.00 0.00 H new ATOM 0 HH2 TRP A 41 12.362 -1.732 3.632 1.00 0.00 H new ATOM 662 N SER A 42 4.865 -5.868 8.315 1.00 0.00 N ATOM 663 CA SER A 42 3.505 -5.862 8.891 1.00 0.00 C ATOM 664 C SER A 42 2.920 -4.455 9.143 1.00 0.00 C ATOM 665 O SER A 42 2.084 -4.266 10.031 1.00 0.00 O ATOM 666 CB SER A 42 3.426 -6.755 10.144 1.00 0.00 C ATOM 667 OG SER A 42 3.919 -8.066 9.889 1.00 0.00 O ATOM 0 H SER A 42 4.915 -6.398 7.445 1.00 0.00 H new ATOM 0 HA SER A 42 2.862 -6.291 8.123 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.001 -6.301 10.951 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.392 -6.815 10.483 1.00 0.00 H new ATOM 0 HG SER A 42 3.855 -8.604 10.706 1.00 0.00 H new ATOM 673 N LEU A 43 3.360 -3.452 8.375 1.00 0.00 N ATOM 674 CA LEU A 43 2.915 -2.058 8.468 1.00 0.00 C ATOM 675 C LEU A 43 1.534 -1.880 7.804 1.00 0.00 C ATOM 676 O LEU A 43 1.311 -2.333 6.679 1.00 0.00 O ATOM 677 CB LEU A 43 3.991 -1.153 7.836 1.00 0.00 C ATOM 678 CG LEU A 43 5.310 -1.080 8.628 1.00 0.00 C ATOM 679 CD1 LEU A 43 6.397 -0.463 7.753 1.00 0.00 C ATOM 680 CD2 LEU A 43 5.179 -0.245 9.903 1.00 0.00 C ATOM 0 H LEU A 43 4.060 -3.594 7.647 1.00 0.00 H new ATOM 0 HA LEU A 43 2.792 -1.771 9.512 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.206 -1.513 6.830 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.587 -0.146 7.734 1.00 0.00 H new ATOM 0 HG LEU A 43 5.569 -2.099 8.915 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.330 -0.412 8.314 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.541 -1.078 6.864 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.097 0.542 7.455 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.136 -0.225 10.425 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.886 0.772 9.643 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.422 -0.686 10.551 1.00 0.00 H new ATOM 692 N ALA A 44 0.603 -1.234 8.510 1.00 0.00 N ATOM 693 CA ALA A 44 -0.788 -1.051 8.083 1.00 0.00 C ATOM 694 C ALA A 44 -0.992 0.137 7.115 1.00 0.00 C ATOM 695 O ALA A 44 -0.161 1.044 7.034 1.00 0.00 O ATOM 696 CB ALA A 44 -1.652 -0.898 9.344 1.00 0.00 C ATOM 0 H ALA A 44 0.800 -0.813 9.418 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.088 -1.928 7.510 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.694 -0.760 9.056 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.561 -1.794 9.959 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.315 -0.032 9.913 1.00 0.00 H new ATOM 702 N ASN A 45 -2.149 0.149 6.438 1.00 0.00 N ATOM 703 CA ASN A 45 -2.680 1.255 5.622 1.00 0.00 C ATOM 704 C ASN A 45 -1.685 1.776 4.562 1.00 0.00 C ATOM 705 O ASN A 45 -1.189 2.903 4.646 1.00 0.00 O ATOM 706 CB ASN A 45 -3.236 2.362 6.545 1.00 0.00 C ATOM 707 CG ASN A 45 -4.256 1.865 7.557 1.00 0.00 C ATOM 708 OD1 ASN A 45 -5.126 1.054 7.263 1.00 0.00 O ATOM 709 ND2 ASN A 45 -4.187 2.325 8.786 1.00 0.00 N ATOM 0 H ASN A 45 -2.775 -0.656 6.444 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.506 0.866 5.026 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.407 2.828 7.078 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.695 3.137 5.931 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.855 2.007 9.488 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.465 3.000 9.038 1.00 0.00 H new ATOM 716 N HIS A 46 -1.395 0.964 3.537 1.00 0.00 N ATOM 717 CA HIS A 46 -0.343 1.229 2.550 1.00 0.00 C ATOM 718 C HIS A 46 -0.588 2.492 1.702 1.00 0.00 C ATOM 719 O HIS A 46 0.356 3.042 1.139 1.00 0.00 O ATOM 720 CB HIS A 46 -0.189 -0.022 1.677 1.00 0.00 C ATOM 721 CG HIS A 46 -1.231 -0.156 0.601 1.00 0.00 C ATOM 722 ND1 HIS A 46 -2.519 -0.680 0.734 1.00 0.00 N ATOM 723 CD2 HIS A 46 -1.064 0.296 -0.668 1.00 0.00 C ATOM 724 CE1 HIS A 46 -3.087 -0.546 -0.480 1.00 0.00 C ATOM 725 NE2 HIS A 46 -2.233 0.034 -1.340 1.00 0.00 N ATOM 0 H HIS A 46 -1.894 0.090 3.369 1.00 0.00 H new ATOM 0 HA HIS A 46 0.584 1.440 3.084 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.797 -0.008 1.212 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.228 -0.904 2.316 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.182 0.770 -1.072 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.090 -0.861 -0.728 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.420 0.243 -2.321 1.00 0.00 H new ATOM 733 N GLU A 47 -1.826 2.997 1.665 1.00 0.00 N ATOM 734 CA GLU A 47 -2.208 4.282 1.054 1.00 0.00 C ATOM 735 C GLU A 47 -1.394 5.473 1.598 1.00 0.00 C ATOM 736 O GLU A 47 -1.104 6.417 0.860 1.00 0.00 O ATOM 737 CB GLU A 47 -3.695 4.563 1.348 1.00 0.00 C ATOM 738 CG GLU A 47 -4.689 3.493 0.867 1.00 0.00 C ATOM 739 CD GLU A 47 -4.745 3.309 -0.666 1.00 0.00 C ATOM 740 OE1 GLU A 47 -5.251 2.253 -1.119 1.00 0.00 O ATOM 741 OE2 GLU A 47 -4.337 4.220 -1.426 1.00 0.00 O ATOM 0 H GLU A 47 -2.621 2.506 2.074 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.010 4.190 -0.014 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.816 4.685 2.424 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.963 5.514 0.887 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.426 2.539 1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.685 3.754 1.225 1.00 0.00 H new ATOM 748 N TYR A 48 -1.004 5.424 2.877 1.00 0.00 N ATOM 749 CA TYR A 48 -0.203 6.459 3.539 1.00 0.00 C ATOM 750 C TYR A 48 1.263 6.453 3.086 1.00 0.00 C ATOM 751 O TYR A 48 1.955 7.455 3.265 1.00 0.00 O ATOM 752 CB TYR A 48 -0.246 6.257 5.065 1.00 0.00 C ATOM 753 CG TYR A 48 -1.545 6.650 5.747 1.00 0.00 C ATOM 754 CD1 TYR A 48 -2.743 5.952 5.492 1.00 0.00 C ATOM 755 CD2 TYR A 48 -1.545 7.717 6.667 1.00 0.00 C ATOM 756 CE1 TYR A 48 -3.940 6.334 6.128 1.00 0.00 C ATOM 757 CE2 TYR A 48 -2.733 8.095 7.316 1.00 0.00 C ATOM 758 CZ TYR A 48 -3.939 7.410 7.044 1.00 0.00 C ATOM 759 OH TYR A 48 -5.087 7.786 7.673 1.00 0.00 O ATOM 0 H TYR A 48 -1.242 4.647 3.493 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.638 7.419 3.260 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -0.048 5.207 5.279 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.565 6.832 5.512 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.743 5.119 4.805 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.627 8.247 6.875 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.858 5.805 5.916 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.724 8.911 8.024 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.901 8.542 8.268 1.00 0.00 H new ATOM 769 N PHE A 49 1.756 5.340 2.541 1.00 0.00 N ATOM 770 CA PHE A 49 3.173 5.114 2.261 1.00 0.00 C ATOM 771 C PHE A 49 3.594 5.467 0.829 1.00 0.00 C ATOM 772 O PHE A 49 2.794 5.507 -0.107 1.00 0.00 O ATOM 773 CB PHE A 49 3.552 3.676 2.648 1.00 0.00 C ATOM 774 CG PHE A 49 3.701 3.505 4.148 1.00 0.00 C ATOM 775 CD1 PHE A 49 4.967 3.661 4.745 1.00 0.00 C ATOM 776 CD2 PHE A 49 2.573 3.261 4.955 1.00 0.00 C ATOM 777 CE1 PHE A 49 5.098 3.591 6.142 1.00 0.00 C ATOM 778 CE2 PHE A 49 2.708 3.188 6.353 1.00 0.00 C ATOM 779 CZ PHE A 49 3.972 3.353 6.948 1.00 0.00 C ATOM 0 H PHE A 49 1.166 4.552 2.276 1.00 0.00 H new ATOM 0 HA PHE A 49 3.739 5.810 2.880 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.789 2.990 2.280 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.487 3.405 2.159 1.00 0.00 H new ATOM 0 HD1 PHE A 49 5.837 3.834 4.129 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.603 3.130 4.500 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.068 3.721 6.598 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.841 3.005 6.970 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.077 3.297 8.021 1.00 0.00 H new ATOM 789 N ALA A 50 4.895 5.704 0.687 1.00 0.00 N ATOM 790 CA ALA A 50 5.626 5.930 -0.546 1.00 0.00 C ATOM 791 C ALA A 50 7.052 5.370 -0.414 1.00 0.00 C ATOM 792 O ALA A 50 7.630 5.323 0.678 1.00 0.00 O ATOM 793 CB ALA A 50 5.651 7.439 -0.846 1.00 0.00 C ATOM 0 H ALA A 50 5.510 5.745 1.500 1.00 0.00 H new ATOM 0 HA ALA A 50 5.135 5.416 -1.372 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.199 7.617 -1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.630 7.806 -0.952 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.142 7.965 -0.027 1.00 0.00 H new ATOM 799 N LEU A 51 7.625 4.934 -1.533 1.00 0.00 N ATOM 800 CA LEU A 51 9.054 4.648 -1.616 1.00 0.00 C ATOM 801 C LEU A 51 9.808 5.965 -1.849 1.00 0.00 C ATOM 802 O LEU A 51 9.240 6.946 -2.334 1.00 0.00 O ATOM 803 CB LEU A 51 9.303 3.610 -2.725 1.00 0.00 C ATOM 804 CG LEU A 51 9.020 2.166 -2.272 1.00 0.00 C ATOM 805 CD1 LEU A 51 8.958 1.247 -3.492 1.00 0.00 C ATOM 806 CD2 LEU A 51 10.116 1.651 -1.337 1.00 0.00 C ATOM 0 H LEU A 51 7.116 4.770 -2.402 1.00 0.00 H new ATOM 0 HA LEU A 51 9.426 4.216 -0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.674 3.846 -3.583 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.338 3.684 -3.059 1.00 0.00 H new ATOM 0 HG LEU A 51 8.069 2.166 -1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.758 0.226 -3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.162 1.579 -4.158 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.911 1.280 -4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.886 0.629 -1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.075 1.670 -1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.169 2.287 -0.453 1.00 0.00 H new ATOM 818 N GLN A 52 11.095 5.992 -1.524 1.00 0.00 N ATOM 819 CA GLN A 52 11.967 7.157 -1.681 1.00 0.00 C ATOM 820 C GLN A 52 13.404 6.709 -1.965 1.00 0.00 C ATOM 821 O GLN A 52 13.836 5.670 -1.469 1.00 0.00 O ATOM 822 CB GLN A 52 11.863 8.008 -0.404 1.00 0.00 C ATOM 823 CG GLN A 52 12.603 9.348 -0.501 1.00 0.00 C ATOM 824 CD GLN A 52 12.606 10.128 0.806 1.00 0.00 C ATOM 825 OE1 GLN A 52 12.608 9.592 1.909 1.00 0.00 O ATOM 826 NE2 GLN A 52 12.671 11.434 0.727 1.00 0.00 N ATOM 0 H GLN A 52 11.577 5.183 -1.133 1.00 0.00 H new ATOM 0 HA GLN A 52 11.656 7.763 -2.532 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.812 8.197 -0.187 1.00 0.00 H new ATOM 0 HB3 GLN A 52 12.264 7.440 0.435 1.00 0.00 H new ATOM 0 HG2 GLN A 52 13.632 9.166 -0.810 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.140 9.956 -1.278 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.670 11.890 -0.185 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.723 11.994 1.578 1.00 0.00 H new ATOM 835 N HIS A 53 14.159 7.488 -2.736 1.00 0.00 N ATOM 836 CA HIS A 53 15.597 7.252 -2.938 1.00 0.00 C ATOM 837 C HIS A 53 16.398 7.484 -1.646 1.00 0.00 C ATOM 838 O HIS A 53 16.249 8.520 -0.993 1.00 0.00 O ATOM 839 CB HIS A 53 16.118 8.125 -4.087 1.00 0.00 C ATOM 840 CG HIS A 53 15.781 7.582 -5.455 1.00 0.00 C ATOM 841 ND1 HIS A 53 16.474 6.558 -6.106 1.00 0.00 N ATOM 842 CD2 HIS A 53 14.762 8.000 -6.257 1.00 0.00 C ATOM 843 CE1 HIS A 53 15.859 6.389 -7.290 1.00 0.00 C ATOM 844 NE2 HIS A 53 14.829 7.245 -7.408 1.00 0.00 N ATOM 0 H HIS A 53 13.799 8.299 -3.239 1.00 0.00 H new ATOM 0 HA HIS A 53 15.736 6.206 -3.210 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.701 9.127 -3.990 1.00 0.00 H new ATOM 0 HB3 HIS A 53 17.200 8.220 -3.999 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.042 8.773 -6.034 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.151 5.668 -8.039 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.205 7.322 -8.211 1.00 0.00 H new ATOM 852 N ALA A 54 17.262 6.530 -1.282 1.00 0.00 N ATOM 853 CA ALA A 54 18.131 6.597 -0.097 1.00 0.00 C ATOM 854 C ALA A 54 19.558 7.126 -0.395 1.00 0.00 C ATOM 855 O ALA A 54 20.413 7.165 0.493 1.00 0.00 O ATOM 856 CB ALA A 54 18.160 5.207 0.545 1.00 0.00 C ATOM 0 H ALA A 54 17.381 5.668 -1.815 1.00 0.00 H new ATOM 0 HA ALA A 54 17.714 7.329 0.595 1.00 0.00 H new ATOM 0 HB1 ALA A 54 18.799 5.227 1.428 1.00 0.00 H new ATOM 0 HB2 ALA A 54 17.149 4.919 0.834 1.00 0.00 H new ATOM 0 HB3 ALA A 54 18.553 4.484 -0.170 1.00 0.00 H new ATOM 862 N ASP A 55 19.823 7.513 -1.646 1.00 0.00 N ATOM 863 CA ASP A 55 21.072 8.129 -2.118 1.00 0.00 C ATOM 864 C ASP A 55 21.240 9.583 -1.597 1.00 0.00 C ATOM 865 O ASP A 55 20.454 10.064 -0.773 1.00 0.00 O ATOM 866 CB ASP A 55 21.037 8.054 -3.662 1.00 0.00 C ATOM 867 CG ASP A 55 22.388 8.266 -4.370 1.00 0.00 C ATOM 868 OD1 ASP A 55 23.445 8.309 -3.699 1.00 0.00 O ATOM 869 OD2 ASP A 55 22.388 8.399 -5.616 1.00 0.00 O ATOM 0 H ASP A 55 19.141 7.401 -2.396 1.00 0.00 H new ATOM 0 HA ASP A 55 21.940 7.597 -1.729 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.645 7.079 -3.952 1.00 0.00 H new ATOM 0 HB3 ASP A 55 20.334 8.802 -4.028 1.00 0.00 H new ATOM 874 N SER A 56 22.241 10.322 -2.090 1.00 0.00 N ATOM 875 CA SER A 56 22.385 11.774 -1.862 1.00 0.00 C ATOM 876 C SER A 56 21.169 12.575 -2.370 1.00 0.00 C ATOM 877 O SER A 56 20.873 13.650 -1.842 1.00 0.00 O ATOM 878 CB SER A 56 23.653 12.299 -2.549 1.00 0.00 C ATOM 879 OG SER A 56 24.806 11.629 -2.059 1.00 0.00 O ATOM 0 H SER A 56 22.985 9.929 -2.666 1.00 0.00 H new ATOM 0 HA SER A 56 22.454 11.915 -0.783 1.00 0.00 H new ATOM 0 HB2 SER A 56 23.574 12.156 -3.627 1.00 0.00 H new ATOM 0 HB3 SER A 56 23.749 13.371 -2.376 1.00 0.00 H new ATOM 0 HG SER A 56 25.603 11.977 -2.511 1.00 0.00 H new ATOM 885 N SER A 57 20.455 12.054 -3.377 1.00 0.00 N ATOM 886 CA SER A 57 19.141 12.540 -3.819 1.00 0.00 C ATOM 887 C SER A 57 18.020 11.758 -3.120 1.00 0.00 C ATOM 888 O SER A 57 18.086 10.531 -3.015 1.00 0.00 O ATOM 889 CB SER A 57 19.004 12.423 -5.339 1.00 0.00 C ATOM 890 OG SER A 57 17.725 12.888 -5.734 1.00 0.00 O ATOM 0 H SER A 57 20.786 11.259 -3.923 1.00 0.00 H new ATOM 0 HA SER A 57 19.055 13.592 -3.547 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.783 13.006 -5.831 1.00 0.00 H new ATOM 0 HB3 SER A 57 19.138 11.386 -5.648 1.00 0.00 H new ATOM 0 HG SER A 57 17.674 12.914 -6.712 1.00 0.00 H new ATOM 896 N ASN A 58 16.984 12.462 -2.651 1.00 0.00 N ATOM 897 CA ASN A 58 15.894 11.924 -1.825 1.00 0.00 C ATOM 898 C ASN A 58 14.505 12.222 -2.419 1.00 0.00 C ATOM 899 O ASN A 58 13.555 12.525 -1.696 1.00 0.00 O ATOM 900 CB ASN A 58 16.091 12.356 -0.357 1.00 0.00 C ATOM 901 CG ASN A 58 17.453 11.960 0.196 1.00 0.00 C ATOM 902 OD1 ASN A 58 18.233 12.791 0.640 1.00 0.00 O ATOM 903 ND2 ASN A 58 17.803 10.695 0.150 1.00 0.00 N ATOM 0 H ASN A 58 16.876 13.458 -2.842 1.00 0.00 H new ATOM 0 HA ASN A 58 15.936 10.835 -1.830 1.00 0.00 H new ATOM 0 HB2 ASN A 58 15.974 13.437 -0.282 1.00 0.00 H new ATOM 0 HB3 ASN A 58 15.310 11.907 0.257 1.00 0.00 H new ATOM 0 HD21 ASN A 58 18.723 10.408 0.484 1.00 0.00 H new ATOM 0 HD22 ASN A 58 17.155 10.000 -0.220 1.00 0.00 H new ATOM 910 N PHE A 59 14.370 12.122 -3.745 1.00 0.00 N ATOM 911 CA PHE A 59 13.065 12.168 -4.409 1.00 0.00 C ATOM 912 C PHE A 59 12.157 11.015 -3.949 1.00 0.00 C ATOM 913 O PHE A 59 12.599 9.863 -3.859 1.00 0.00 O ATOM 914 CB PHE A 59 13.224 12.088 -5.937 1.00 0.00 C ATOM 915 CG PHE A 59 14.122 13.110 -6.617 1.00 0.00 C ATOM 916 CD1 PHE A 59 14.225 14.435 -6.146 1.00 0.00 C ATOM 917 CD2 PHE A 59 14.826 12.730 -7.776 1.00 0.00 C ATOM 918 CE1 PHE A 59 15.039 15.364 -6.820 1.00 0.00 C ATOM 919 CE2 PHE A 59 15.637 13.660 -8.452 1.00 0.00 C ATOM 920 CZ PHE A 59 15.746 14.976 -7.972 1.00 0.00 C ATOM 0 H PHE A 59 15.157 12.008 -4.384 1.00 0.00 H new ATOM 0 HA PHE A 59 12.605 13.117 -4.134 1.00 0.00 H new ATOM 0 HB2 PHE A 59 13.603 11.096 -6.182 1.00 0.00 H new ATOM 0 HB3 PHE A 59 12.232 12.168 -6.380 1.00 0.00 H new ATOM 0 HD1 PHE A 59 13.678 14.738 -5.266 1.00 0.00 H new ATOM 0 HD2 PHE A 59 14.743 11.719 -8.148 1.00 0.00 H new ATOM 0 HE1 PHE A 59 15.121 16.376 -6.452 1.00 0.00 H new ATOM 0 HE2 PHE A 59 16.176 13.362 -9.340 1.00 0.00 H new ATOM 0 HZ PHE A 59 16.372 15.689 -8.487 1.00 0.00 H new ATOM 930 N TYR A 60 10.881 11.315 -3.691 1.00 0.00 N ATOM 931 CA TYR A 60 9.852 10.290 -3.500 1.00 0.00 C ATOM 932 C TYR A 60 9.598 9.580 -4.841 1.00 0.00 C ATOM 933 O TYR A 60 9.656 10.204 -5.905 1.00 0.00 O ATOM 934 CB TYR A 60 8.547 10.909 -2.981 1.00 0.00 C ATOM 935 CG TYR A 60 8.625 11.448 -1.564 1.00 0.00 C ATOM 936 CD1 TYR A 60 8.420 10.575 -0.477 1.00 0.00 C ATOM 937 CD2 TYR A 60 8.876 12.815 -1.333 1.00 0.00 C ATOM 938 CE1 TYR A 60 8.465 11.070 0.840 1.00 0.00 C ATOM 939 CE2 TYR A 60 8.934 13.309 -0.015 1.00 0.00 C ATOM 940 CZ TYR A 60 8.736 12.435 1.076 1.00 0.00 C ATOM 941 OH TYR A 60 8.776 12.908 2.353 1.00 0.00 O ATOM 0 H TYR A 60 10.534 12.271 -3.609 1.00 0.00 H new ATOM 0 HA TYR A 60 10.202 9.573 -2.758 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.253 11.719 -3.649 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.760 10.157 -3.027 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.229 9.527 -0.654 1.00 0.00 H new ATOM 0 HD2 TYR A 60 9.024 13.485 -2.167 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.292 10.404 1.672 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.130 14.356 0.161 1.00 0.00 H new ATOM 0 HH TYR A 60 8.976 13.867 2.340 1.00 0.00 H new ATOM 951 N ILE A 61 9.295 8.284 -4.810 1.00 0.00 N ATOM 952 CA ILE A 61 8.923 7.524 -6.007 1.00 0.00 C ATOM 953 C ILE A 61 7.481 7.856 -6.416 1.00 0.00 C ATOM 954 O ILE A 61 6.574 7.942 -5.585 1.00 0.00 O ATOM 955 CB ILE A 61 9.175 6.014 -5.812 1.00 0.00 C ATOM 956 CG1 ILE A 61 10.646 5.704 -5.435 1.00 0.00 C ATOM 957 CG2 ILE A 61 8.777 5.211 -7.063 1.00 0.00 C ATOM 958 CD1 ILE A 61 11.722 6.320 -6.343 1.00 0.00 C ATOM 0 H ILE A 61 9.300 7.728 -3.955 1.00 0.00 H new ATOM 0 HA ILE A 61 9.564 7.823 -6.837 1.00 0.00 H new ATOM 0 HB ILE A 61 8.544 5.707 -4.978 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.819 6.049 -4.416 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.778 4.622 -5.432 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.968 4.152 -6.891 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.717 5.360 -7.269 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.364 5.552 -7.916 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.710 6.035 -5.982 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.590 5.957 -7.362 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.631 7.406 -6.330 1.00 0.00 H new ATOM 970 N THR A 62 7.289 8.044 -7.719 1.00 0.00 N ATOM 971 CA THR A 62 6.047 8.465 -8.384 1.00 0.00 C ATOM 972 C THR A 62 5.926 7.724 -9.713 1.00 0.00 C ATOM 973 O THR A 62 6.887 7.095 -10.164 1.00 0.00 O ATOM 974 CB THR A 62 6.029 9.984 -8.654 1.00 0.00 C ATOM 975 OG1 THR A 62 6.951 10.306 -9.677 1.00 0.00 O ATOM 976 CG2 THR A 62 6.400 10.841 -7.446 1.00 0.00 C ATOM 0 H THR A 62 8.045 7.898 -8.388 1.00 0.00 H new ATOM 0 HA THR A 62 5.211 8.229 -7.726 1.00 0.00 H new ATOM 0 HB THR A 62 4.998 10.206 -8.930 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.050 11.279 -9.734 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.363 11.895 -7.722 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.695 10.653 -6.636 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.408 10.588 -7.116 1.00 0.00 H new ATOM 984 N GLU A 63 4.787 7.830 -10.393 1.00 0.00 N ATOM 985 CA GLU A 63 4.570 7.230 -11.719 1.00 0.00 C ATOM 986 C GLU A 63 5.557 7.750 -12.790 1.00 0.00 C ATOM 987 O GLU A 63 5.767 7.090 -13.811 1.00 0.00 O ATOM 988 CB GLU A 63 3.105 7.420 -12.153 1.00 0.00 C ATOM 989 CG GLU A 63 2.081 6.932 -11.107 1.00 0.00 C ATOM 990 CD GLU A 63 1.500 8.084 -10.263 1.00 0.00 C ATOM 991 OE1 GLU A 63 2.288 8.839 -9.645 1.00 0.00 O ATOM 992 OE2 GLU A 63 0.255 8.232 -10.215 1.00 0.00 O ATOM 0 H GLU A 63 3.976 8.339 -10.040 1.00 0.00 H new ATOM 0 HA GLU A 63 4.774 6.163 -11.629 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.929 8.477 -12.355 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.940 6.885 -13.088 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.268 6.413 -11.615 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.559 6.208 -10.447 1.00 0.00 H new ATOM 999 N LYS A 64 6.210 8.897 -12.535 1.00 0.00 N ATOM 1000 CA LYS A 64 7.345 9.433 -13.303 1.00 0.00 C ATOM 1001 C LYS A 64 8.685 8.923 -12.752 1.00 0.00 C ATOM 1002 O LYS A 64 9.473 8.356 -13.508 1.00 0.00 O ATOM 1003 CB LYS A 64 7.218 10.972 -13.334 1.00 0.00 C ATOM 1004 CG LYS A 64 8.339 11.762 -14.044 1.00 0.00 C ATOM 1005 CD LYS A 64 9.607 11.896 -13.188 1.00 0.00 C ATOM 1006 CE LYS A 64 10.539 13.028 -13.625 1.00 0.00 C ATOM 1007 NZ LYS A 64 11.746 13.057 -12.758 1.00 0.00 N ATOM 0 H LYS A 64 5.950 9.501 -11.755 1.00 0.00 H new ATOM 0 HA LYS A 64 7.322 9.074 -14.332 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.272 11.223 -13.815 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.156 11.326 -12.305 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.590 11.265 -14.981 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.971 12.756 -14.299 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.316 12.059 -12.150 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.156 10.955 -13.221 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.832 12.888 -14.665 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.017 13.983 -13.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.109 14.030 -12.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.497 12.723 -11.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.478 12.438 -13.161 1.00 0.00 H new ATOM 1021 N ASN A 65 8.955 9.097 -11.454 1.00 0.00 N ATOM 1022 CA ASN A 65 10.277 8.853 -10.843 1.00 0.00 C ATOM 1023 C ASN A 65 10.654 7.361 -10.793 1.00 0.00 C ATOM 1024 O ASN A 65 11.840 7.029 -10.796 1.00 0.00 O ATOM 1025 CB ASN A 65 10.344 9.485 -9.435 1.00 0.00 C ATOM 1026 CG ASN A 65 10.496 11.001 -9.416 1.00 0.00 C ATOM 1027 OD1 ASN A 65 10.976 11.633 -10.345 1.00 0.00 O ATOM 1028 ND2 ASN A 65 10.116 11.640 -8.336 1.00 0.00 N ATOM 0 H ASN A 65 8.255 9.416 -10.784 1.00 0.00 H new ATOM 0 HA ASN A 65 11.014 9.332 -11.487 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.438 9.219 -8.890 1.00 0.00 H new ATOM 0 HB3 ASN A 65 11.182 9.044 -8.895 1.00 0.00 H new ATOM 0 HD21 ASN A 65 10.223 12.653 -8.279 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.714 11.124 -7.553 1.00 0.00 H new ATOM 1035 N ARG A 66 9.669 6.451 -10.819 1.00 0.00 N ATOM 1036 CA ARG A 66 9.881 4.992 -10.884 1.00 0.00 C ATOM 1037 C ARG A 66 10.741 4.535 -12.068 1.00 0.00 C ATOM 1038 O ARG A 66 11.418 3.516 -11.970 1.00 0.00 O ATOM 1039 CB ARG A 66 8.522 4.273 -10.897 1.00 0.00 C ATOM 1040 CG ARG A 66 7.678 4.581 -12.152 1.00 0.00 C ATOM 1041 CD ARG A 66 6.351 3.820 -12.191 1.00 0.00 C ATOM 1042 NE ARG A 66 6.545 2.364 -12.086 1.00 0.00 N ATOM 1043 CZ ARG A 66 5.610 1.470 -11.846 1.00 0.00 C ATOM 1044 NH1 ARG A 66 4.341 1.748 -11.880 1.00 0.00 N ATOM 1045 NH2 ARG A 66 5.932 0.250 -11.555 1.00 0.00 N ATOM 0 H ARG A 66 8.683 6.711 -10.795 1.00 0.00 H new ATOM 0 HA ARG A 66 10.446 4.722 -9.992 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.688 3.197 -10.835 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.958 4.561 -10.009 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.476 5.651 -12.192 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.258 4.333 -13.041 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.714 4.160 -11.375 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.829 4.050 -13.120 1.00 0.00 H new ATOM 0 HE ARG A 66 7.495 2.015 -12.211 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.032 2.695 -12.100 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.654 1.019 -11.686 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.914 -0.022 -11.511 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.203 -0.439 -11.370 1.00 0.00 H new ATOM 1059 N ASN A 67 10.735 5.286 -13.171 1.00 0.00 N ATOM 1060 CA ASN A 67 11.501 4.980 -14.385 1.00 0.00 C ATOM 1061 C ASN A 67 13.014 5.233 -14.222 1.00 0.00 C ATOM 1062 O ASN A 67 13.814 4.715 -15.002 1.00 0.00 O ATOM 1063 CB ASN A 67 10.916 5.797 -15.552 1.00 0.00 C ATOM 1064 CG ASN A 67 9.444 5.504 -15.793 1.00 0.00 C ATOM 1065 OD1 ASN A 67 9.069 4.473 -16.333 1.00 0.00 O ATOM 1066 ND2 ASN A 67 8.566 6.389 -15.380 1.00 0.00 N ATOM 0 H ASN A 67 10.186 6.142 -13.249 1.00 0.00 H new ATOM 0 HA ASN A 67 11.408 3.914 -14.592 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.042 6.860 -15.345 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.479 5.580 -16.460 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.569 6.217 -15.509 1.00 0.00 H new ATOM 0 HD22 ASN A 67 8.881 7.248 -14.930 1.00 0.00 H new ATOM 1073 N GLU A 68 13.417 6.013 -13.212 1.00 0.00 N ATOM 1074 CA GLU A 68 14.824 6.288 -12.876 1.00 0.00 C ATOM 1075 C GLU A 68 15.439 5.207 -11.962 1.00 0.00 C ATOM 1076 O GLU A 68 16.664 5.127 -11.825 1.00 0.00 O ATOM 1077 CB GLU A 68 14.942 7.689 -12.246 1.00 0.00 C ATOM 1078 CG GLU A 68 14.389 8.790 -13.171 1.00 0.00 C ATOM 1079 CD GLU A 68 14.530 10.215 -12.602 1.00 0.00 C ATOM 1080 OE1 GLU A 68 13.664 11.066 -12.922 1.00 0.00 O ATOM 1081 OE2 GLU A 68 15.505 10.510 -11.868 1.00 0.00 O ATOM 0 H GLU A 68 12.760 6.483 -12.589 1.00 0.00 H new ATOM 0 HA GLU A 68 15.399 6.261 -13.801 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.402 7.707 -11.299 1.00 0.00 H new ATOM 0 HB3 GLU A 68 15.988 7.897 -12.020 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.907 8.739 -14.129 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.335 8.591 -13.367 1.00 0.00 H new ATOM 1088 N ILE A 69 14.606 4.346 -11.360 1.00 0.00 N ATOM 1089 CA ILE A 69 15.033 3.172 -10.589 1.00 0.00 C ATOM 1090 C ILE A 69 15.699 2.153 -11.526 1.00 0.00 C ATOM 1091 O ILE A 69 15.212 1.878 -12.627 1.00 0.00 O ATOM 1092 CB ILE A 69 13.842 2.536 -9.832 1.00 0.00 C ATOM 1093 CG1 ILE A 69 13.131 3.565 -8.919 1.00 0.00 C ATOM 1094 CG2 ILE A 69 14.308 1.324 -9.005 1.00 0.00 C ATOM 1095 CD1 ILE A 69 11.888 3.007 -8.215 1.00 0.00 C ATOM 0 H ILE A 69 13.592 4.450 -11.397 1.00 0.00 H new ATOM 0 HA ILE A 69 15.759 3.490 -9.841 1.00 0.00 H new ATOM 0 HB ILE A 69 13.124 2.198 -10.579 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.836 3.919 -8.167 1.00 0.00 H new ATOM 0 HG13 ILE A 69 12.842 4.430 -9.517 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.456 0.892 -8.481 1.00 0.00 H new ATOM 0 HG22 ILE A 69 14.743 0.577 -9.668 1.00 0.00 H new ATOM 0 HG23 ILE A 69 15.056 1.644 -8.279 1.00 0.00 H new ATOM 0 HD11 ILE A 69 11.443 3.784 -7.593 1.00 0.00 H new ATOM 0 HD12 ILE A 69 11.164 2.680 -8.961 1.00 0.00 H new ATOM 0 HD13 ILE A 69 12.173 2.161 -7.590 1.00 0.00 H new ATOM 1107 N LYS A 70 16.804 1.568 -11.060 1.00 0.00 N ATOM 1108 CA LYS A 70 17.632 0.580 -11.766 1.00 0.00 C ATOM 1109 C LYS A 70 18.063 -0.565 -10.844 1.00 0.00 C ATOM 1110 O LYS A 70 17.941 -0.462 -9.623 1.00 0.00 O ATOM 1111 CB LYS A 70 18.813 1.314 -12.431 1.00 0.00 C ATOM 1112 CG LYS A 70 19.708 2.081 -11.437 1.00 0.00 C ATOM 1113 CD LYS A 70 20.804 2.908 -12.129 1.00 0.00 C ATOM 1114 CE LYS A 70 20.287 4.033 -13.045 1.00 0.00 C ATOM 1115 NZ LYS A 70 19.512 5.073 -12.313 1.00 0.00 N ATOM 0 H LYS A 70 17.167 1.780 -10.131 1.00 0.00 H new ATOM 0 HA LYS A 70 17.049 0.097 -12.550 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.423 0.589 -12.969 1.00 0.00 H new ATOM 0 HB3 LYS A 70 18.424 2.014 -13.170 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.087 2.744 -10.834 1.00 0.00 H new ATOM 0 HG3 LYS A 70 20.174 1.371 -10.753 1.00 0.00 H new ATOM 0 HD2 LYS A 70 21.444 3.348 -11.364 1.00 0.00 H new ATOM 0 HD3 LYS A 70 21.427 2.236 -12.719 1.00 0.00 H new ATOM 0 HE2 LYS A 70 21.133 4.504 -13.545 1.00 0.00 H new ATOM 0 HE3 LYS A 70 19.658 3.600 -13.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.623 5.990 -12.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 18.506 4.810 -12.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 19.865 5.147 -11.338 1.00 0.00 H new ATOM 1129 N ASN A 71 18.564 -1.663 -11.411 1.00 0.00 N ATOM 1130 CA ASN A 71 19.003 -2.825 -10.629 1.00 0.00 C ATOM 1131 C ASN A 71 20.072 -2.446 -9.578 1.00 0.00 C ATOM 1132 O ASN A 71 21.107 -1.863 -9.910 1.00 0.00 O ATOM 1133 CB ASN A 71 19.433 -3.983 -11.559 1.00 0.00 C ATOM 1134 CG ASN A 71 20.343 -3.632 -12.735 1.00 0.00 C ATOM 1135 OD1 ASN A 71 20.150 -4.104 -13.847 1.00 0.00 O ATOM 1136 ND2 ASN A 71 21.333 -2.786 -12.567 1.00 0.00 N ATOM 0 H ASN A 71 18.678 -1.774 -12.419 1.00 0.00 H new ATOM 0 HA ASN A 71 18.153 -3.190 -10.053 1.00 0.00 H new ATOM 0 HB2 ASN A 71 19.939 -4.734 -10.952 1.00 0.00 H new ATOM 0 HB3 ASN A 71 18.532 -4.450 -11.957 1.00 0.00 H new ATOM 0 HD21 ASN A 71 21.926 -2.532 -13.357 1.00 0.00 H new ATOM 0 HD22 ASN A 71 21.509 -2.383 -11.647 1.00 0.00 H new ATOM 1143 N GLY A 72 19.811 -2.767 -8.307 1.00 0.00 N ATOM 1144 CA GLY A 72 20.659 -2.416 -7.163 1.00 0.00 C ATOM 1145 C GLY A 72 20.394 -1.034 -6.541 1.00 0.00 C ATOM 1146 O GLY A 72 21.184 -0.600 -5.701 1.00 0.00 O ATOM 0 H GLY A 72 18.980 -3.293 -8.038 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.529 -3.174 -6.390 1.00 0.00 H new ATOM 0 HA3 GLY A 72 21.701 -2.459 -7.479 1.00 0.00 H new ATOM 1150 N THR A 73 19.311 -0.332 -6.913 1.00 0.00 N ATOM 1151 CA THR A 73 18.938 0.957 -6.286 1.00 0.00 C ATOM 1152 C THR A 73 18.604 0.764 -4.803 1.00 0.00 C ATOM 1153 O THR A 73 17.777 -0.085 -4.453 1.00 0.00 O ATOM 1154 CB THR A 73 17.746 1.634 -6.988 1.00 0.00 C ATOM 1155 OG1 THR A 73 18.058 1.882 -8.337 1.00 0.00 O ATOM 1156 CG2 THR A 73 17.368 2.995 -6.399 1.00 0.00 C ATOM 0 H THR A 73 18.672 -0.634 -7.649 1.00 0.00 H new ATOM 0 HA THR A 73 19.805 1.609 -6.390 1.00 0.00 H new ATOM 0 HB THR A 73 16.916 0.940 -6.857 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.293 1.039 -8.779 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.521 3.406 -6.948 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.097 2.875 -5.350 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.216 3.675 -6.479 1.00 0.00 H new ATOM 1164 N ILE A 74 19.221 1.565 -3.928 1.00 0.00 N ATOM 1165 CA ILE A 74 18.878 1.617 -2.502 1.00 0.00 C ATOM 1166 C ILE A 74 17.735 2.622 -2.300 1.00 0.00 C ATOM 1167 O ILE A 74 17.840 3.798 -2.664 1.00 0.00 O ATOM 1168 CB ILE A 74 20.100 1.936 -1.610 1.00 0.00 C ATOM 1169 CG1 ILE A 74 21.324 1.055 -1.964 1.00 0.00 C ATOM 1170 CG2 ILE A 74 19.720 1.732 -0.128 1.00 0.00 C ATOM 1171 CD1 ILE A 74 22.609 1.470 -1.241 1.00 0.00 C ATOM 0 H ILE A 74 19.976 2.199 -4.190 1.00 0.00 H new ATOM 0 HA ILE A 74 18.543 0.629 -2.187 1.00 0.00 H new ATOM 0 HB ILE A 74 20.382 2.974 -1.787 1.00 0.00 H new ATOM 0 HG12 ILE A 74 21.098 0.018 -1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 74 21.493 1.098 -3.040 1.00 0.00 H new ATOM 0 HG21 ILE A 74 20.580 1.956 0.502 1.00 0.00 H new ATOM 0 HG22 ILE A 74 18.897 2.397 0.131 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.414 0.698 0.030 1.00 0.00 H new ATOM 0 HD11 ILE A 74 23.423 0.809 -1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 74 22.860 2.497 -1.506 1.00 0.00 H new ATOM 0 HD13 ILE A 74 22.459 1.400 -0.164 1.00 0.00 H new ATOM 1183 N LEU A 75 16.638 2.151 -1.714 1.00 0.00 N ATOM 1184 CA LEU A 75 15.422 2.908 -1.424 1.00 0.00 C ATOM 1185 C LEU A 75 15.140 2.938 0.088 1.00 0.00 C ATOM 1186 O LEU A 75 15.796 2.257 0.875 1.00 0.00 O ATOM 1187 CB LEU A 75 14.240 2.288 -2.200 1.00 0.00 C ATOM 1188 CG LEU A 75 14.365 2.279 -3.736 1.00 0.00 C ATOM 1189 CD1 LEU A 75 13.150 1.574 -4.335 1.00 0.00 C ATOM 1190 CD2 LEU A 75 14.419 3.687 -4.329 1.00 0.00 C ATOM 0 H LEU A 75 16.569 1.179 -1.412 1.00 0.00 H new ATOM 0 HA LEU A 75 15.556 3.940 -1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.109 1.260 -1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.333 2.830 -1.933 1.00 0.00 H new ATOM 0 HG LEU A 75 15.296 1.764 -3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.234 1.565 -5.422 1.00 0.00 H new ATOM 0 HD12 LEU A 75 13.105 0.549 -3.966 1.00 0.00 H new ATOM 0 HD13 LEU A 75 12.243 2.104 -4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.507 3.622 -5.413 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.507 4.226 -4.071 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.281 4.219 -3.926 1.00 0.00 H new ATOM 1202 N ARG A 76 14.126 3.699 0.494 1.00 0.00 N ATOM 1203 CA ARG A 76 13.600 3.797 1.859 1.00 0.00 C ATOM 1204 C ARG A 76 12.073 3.851 1.828 1.00 0.00 C ATOM 1205 O ARG A 76 11.502 4.577 1.015 1.00 0.00 O ATOM 1206 CB ARG A 76 14.226 5.038 2.523 1.00 0.00 C ATOM 1207 CG ARG A 76 13.783 5.210 3.981 1.00 0.00 C ATOM 1208 CD ARG A 76 14.562 6.314 4.703 1.00 0.00 C ATOM 1209 NE ARG A 76 14.254 7.661 4.176 1.00 0.00 N ATOM 1210 CZ ARG A 76 14.767 8.801 4.599 1.00 0.00 C ATOM 1211 NH1 ARG A 76 15.658 8.859 5.549 1.00 0.00 N ATOM 1212 NH2 ARG A 76 14.382 9.922 4.065 1.00 0.00 N ATOM 0 H ARG A 76 13.619 4.299 -0.156 1.00 0.00 H new ATOM 0 HA ARG A 76 13.865 2.920 2.449 1.00 0.00 H new ATOM 0 HB2 ARG A 76 15.312 4.958 2.484 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.951 5.927 1.956 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.718 5.443 4.009 1.00 0.00 H new ATOM 0 HG3 ARG A 76 13.917 4.268 4.512 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.329 6.282 5.767 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.631 6.124 4.604 1.00 0.00 H new ATOM 0 HE ARG A 76 13.580 7.714 3.412 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.984 8.002 5.995 1.00 0.00 H new ATOM 0 HH12 ARG A 76 16.029 9.762 5.846 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.685 9.919 3.321 1.00 0.00 H new ATOM 0 HH22 ARG A 76 14.777 10.804 4.390 1.00 0.00 H new ATOM 1226 N LEU A 77 11.413 3.095 2.705 1.00 0.00 N ATOM 1227 CA LEU A 77 9.970 3.218 2.942 1.00 0.00 C ATOM 1228 C LEU A 77 9.698 4.416 3.862 1.00 0.00 C ATOM 1229 O LEU A 77 10.390 4.614 4.863 1.00 0.00 O ATOM 1230 CB LEU A 77 9.430 1.898 3.515 1.00 0.00 C ATOM 1231 CG LEU A 77 7.935 1.901 3.864 1.00 0.00 C ATOM 1232 CD1 LEU A 77 7.083 1.962 2.591 1.00 0.00 C ATOM 1233 CD2 LEU A 77 7.562 0.631 4.617 1.00 0.00 C ATOM 0 H LEU A 77 11.863 2.378 3.274 1.00 0.00 H new ATOM 0 HA LEU A 77 9.445 3.405 2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.617 1.103 2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.996 1.652 4.413 1.00 0.00 H new ATOM 0 HG LEU A 77 7.744 2.777 4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.027 1.963 2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.318 2.872 2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.298 1.094 1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.499 0.649 4.857 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.779 -0.238 3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.141 0.571 5.539 1.00 0.00 H new ATOM 1245 N THR A 78 8.691 5.219 3.532 1.00 0.00 N ATOM 1246 CA THR A 78 8.350 6.452 4.252 1.00 0.00 C ATOM 1247 C THR A 78 6.872 6.799 4.038 1.00 0.00 C ATOM 1248 O THR A 78 6.275 6.378 3.048 1.00 0.00 O ATOM 1249 CB THR A 78 9.304 7.582 3.803 1.00 0.00 C ATOM 1250 OG1 THR A 78 8.996 8.795 4.455 1.00 0.00 O ATOM 1251 CG2 THR A 78 9.305 7.847 2.292 1.00 0.00 C ATOM 0 H THR A 78 8.074 5.031 2.742 1.00 0.00 H new ATOM 0 HA THR A 78 8.483 6.315 5.325 1.00 0.00 H new ATOM 0 HB THR A 78 10.296 7.224 4.079 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.614 9.494 4.155 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.001 8.654 2.065 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.612 6.944 1.764 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.303 8.131 1.972 1.00 0.00 H new ATOM 1259 N THR A 79 6.231 7.530 4.954 1.00 0.00 N ATOM 1260 CA THR A 79 4.887 8.072 4.689 1.00 0.00 C ATOM 1261 C THR A 79 4.964 9.218 3.674 1.00 0.00 C ATOM 1262 O THR A 79 5.808 10.110 3.783 1.00 0.00 O ATOM 1263 CB THR A 79 4.146 8.510 5.963 1.00 0.00 C ATOM 1264 OG1 THR A 79 4.944 9.345 6.781 1.00 0.00 O ATOM 1265 CG2 THR A 79 3.694 7.311 6.799 1.00 0.00 C ATOM 0 H THR A 79 6.610 7.760 5.873 1.00 0.00 H new ATOM 0 HA THR A 79 4.299 7.258 4.265 1.00 0.00 H new ATOM 0 HB THR A 79 3.274 9.066 5.619 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.437 9.603 7.579 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.175 7.664 7.690 1.00 0.00 H new ATOM 0 HG22 THR A 79 3.021 6.689 6.209 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.564 6.725 7.094 1.00 0.00 H new ATOM 1273 N SER A 80 4.068 9.210 2.684 1.00 0.00 N ATOM 1274 CA SER A 80 3.920 10.283 1.694 1.00 0.00 C ATOM 1275 C SER A 80 3.612 11.620 2.387 1.00 0.00 C ATOM 1276 O SER A 80 2.809 11.633 3.328 1.00 0.00 O ATOM 1277 CB SER A 80 2.791 9.929 0.720 1.00 0.00 C ATOM 1278 OG SER A 80 2.474 11.012 -0.140 1.00 0.00 O ATOM 0 H SER A 80 3.411 8.442 2.544 1.00 0.00 H new ATOM 0 HA SER A 80 4.856 10.386 1.145 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.084 9.065 0.123 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.903 9.641 1.283 1.00 0.00 H new ATOM 0 HG SER A 80 1.507 11.173 -0.121 1.00 0.00 H new ATOM 1284 N PRO A 81 4.160 12.759 1.921 1.00 0.00 N ATOM 1285 CA PRO A 81 3.847 14.074 2.484 1.00 0.00 C ATOM 1286 C PRO A 81 2.375 14.487 2.262 1.00 0.00 C ATOM 1287 O PRO A 81 1.882 15.386 2.946 1.00 0.00 O ATOM 1288 CB PRO A 81 4.848 15.035 1.829 1.00 0.00 C ATOM 1289 CG PRO A 81 5.166 14.375 0.488 1.00 0.00 C ATOM 1290 CD PRO A 81 5.092 12.884 0.808 1.00 0.00 C ATOM 0 HA PRO A 81 3.946 14.079 3.570 1.00 0.00 H new ATOM 0 HB2 PRO A 81 4.419 16.028 1.694 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.744 15.155 2.438 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.447 14.658 -0.281 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.153 14.660 0.123 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.747 12.316 -0.056 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.074 12.493 1.075 1.00 0.00 H new ATOM 1298 N ALA A 82 1.657 13.812 1.352 1.00 0.00 N ATOM 1299 CA ALA A 82 0.207 13.934 1.157 1.00 0.00 C ATOM 1300 C ALA A 82 -0.625 12.845 1.876 1.00 0.00 C ATOM 1301 O ALA A 82 -1.854 12.933 1.899 1.00 0.00 O ATOM 1302 CB ALA A 82 -0.053 13.891 -0.354 1.00 0.00 C ATOM 0 H ALA A 82 2.085 13.144 0.711 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.117 14.874 1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.123 13.979 -0.542 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.469 14.717 -0.837 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.310 12.946 -0.759 1.00 0.00 H new ATOM 1308 N GLN A 83 0.017 11.798 2.418 1.00 0.00 N ATOM 1309 CA GLN A 83 -0.613 10.564 2.935 1.00 0.00 C ATOM 1310 C GLN A 83 -1.541 9.856 1.914 1.00 0.00 C ATOM 1311 O GLN A 83 -2.479 9.143 2.276 1.00 0.00 O ATOM 1312 CB GLN A 83 -1.240 10.790 4.325 1.00 0.00 C ATOM 1313 CG GLN A 83 -0.168 11.096 5.387 1.00 0.00 C ATOM 1314 CD GLN A 83 -0.741 11.363 6.782 1.00 0.00 C ATOM 1315 OE1 GLN A 83 -1.929 11.571 6.995 1.00 0.00 O ATOM 1316 NE2 GLN A 83 0.094 11.377 7.800 1.00 0.00 N ATOM 0 H GLN A 83 1.032 11.784 2.514 1.00 0.00 H new ATOM 0 HA GLN A 83 0.188 9.839 3.082 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.950 11.616 4.275 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.802 9.904 4.620 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.525 10.256 5.443 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.409 11.964 5.069 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.088 11.206 7.647 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.253 11.558 8.742 1.00 0.00 H new ATOM 1325 N ASN A 84 -1.240 10.043 0.626 1.00 0.00 N ATOM 1326 CA ASN A 84 -1.835 9.408 -0.555 1.00 0.00 C ATOM 1327 C ASN A 84 -0.743 9.251 -1.637 1.00 0.00 C ATOM 1328 O ASN A 84 0.362 9.784 -1.484 1.00 0.00 O ATOM 1329 CB ASN A 84 -3.018 10.261 -1.065 1.00 0.00 C ATOM 1330 CG ASN A 84 -4.225 10.257 -0.140 1.00 0.00 C ATOM 1331 OD1 ASN A 84 -4.565 11.249 0.492 1.00 0.00 O ATOM 1332 ND2 ASN A 84 -4.937 9.154 -0.052 1.00 0.00 N ATOM 0 H ASN A 84 -0.508 10.701 0.359 1.00 0.00 H new ATOM 0 HA ASN A 84 -2.222 8.421 -0.303 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -2.680 11.288 -1.201 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -3.322 9.893 -2.045 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.767 9.129 0.540 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -4.659 8.324 -0.576 1.00 0.00 H new ATOM 1339 N ALA A 85 -1.039 8.560 -2.744 1.00 0.00 N ATOM 1340 CA ALA A 85 -0.108 8.414 -3.868 1.00 0.00 C ATOM 1341 C ALA A 85 0.367 9.785 -4.401 1.00 0.00 C ATOM 1342 O ALA A 85 -0.442 10.673 -4.687 1.00 0.00 O ATOM 1343 CB ALA A 85 -0.774 7.572 -4.965 1.00 0.00 C ATOM 0 H ALA A 85 -1.931 8.086 -2.885 1.00 0.00 H new ATOM 0 HA ALA A 85 0.788 7.898 -3.523 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -0.088 7.459 -5.804 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.025 6.589 -4.567 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.683 8.069 -5.304 1.00 0.00 H new ATOM 1349 N GLN A 86 1.687 9.959 -4.524 1.00 0.00 N ATOM 1350 CA GLN A 86 2.355 11.242 -4.797 1.00 0.00 C ATOM 1351 C GLN A 86 2.346 11.626 -6.297 1.00 0.00 C ATOM 1352 O GLN A 86 3.385 11.859 -6.918 1.00 0.00 O ATOM 1353 CB GLN A 86 3.748 11.195 -4.129 1.00 0.00 C ATOM 1354 CG GLN A 86 4.454 12.557 -3.986 1.00 0.00 C ATOM 1355 CD GLN A 86 3.625 13.618 -3.261 1.00 0.00 C ATOM 1356 OE1 GLN A 86 3.513 14.756 -3.697 1.00 0.00 O ATOM 1357 NE2 GLN A 86 2.977 13.304 -2.157 1.00 0.00 N ATOM 0 H GLN A 86 2.345 9.185 -4.434 1.00 0.00 H new ATOM 0 HA GLN A 86 1.798 12.067 -4.354 1.00 0.00 H new ATOM 0 HB2 GLN A 86 3.643 10.752 -3.138 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.389 10.531 -4.709 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.391 12.413 -3.448 1.00 0.00 H new ATOM 0 HG3 GLN A 86 4.710 12.927 -4.979 1.00 0.00 H new ATOM 0 HE21 GLN A 86 3.052 12.363 -1.772 1.00 0.00 H new ATOM 0 HE22 GLN A 86 2.400 14.002 -1.688 1.00 0.00 H new ATOM 1366 N GLN A 87 1.156 11.642 -6.901 1.00 0.00 N ATOM 1367 CA GLN A 87 0.931 11.829 -8.339 1.00 0.00 C ATOM 1368 C GLN A 87 1.282 13.246 -8.839 1.00 0.00 C ATOM 1369 O GLN A 87 0.912 14.248 -8.221 1.00 0.00 O ATOM 1370 CB GLN A 87 -0.530 11.453 -8.642 1.00 0.00 C ATOM 1371 CG GLN A 87 -0.910 11.591 -10.124 1.00 0.00 C ATOM 1372 CD GLN A 87 -2.215 10.869 -10.445 1.00 0.00 C ATOM 1373 OE1 GLN A 87 -3.272 11.470 -10.603 1.00 0.00 O ATOM 1374 NE2 GLN A 87 -2.204 9.556 -10.537 1.00 0.00 N ATOM 0 H GLN A 87 0.286 11.520 -6.382 1.00 0.00 H new ATOM 0 HA GLN A 87 1.610 11.176 -8.887 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -0.704 10.424 -8.326 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -1.189 12.085 -8.047 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.007 12.647 -10.377 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -0.109 11.187 -10.743 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -1.332 9.043 -10.408 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -3.068 9.052 -10.737 1.00 0.00 H new ATOM 1383 N LEU A 88 1.951 13.332 -9.998 1.00 0.00 N ATOM 1384 CA LEU A 88 2.201 14.586 -10.724 1.00 0.00 C ATOM 1385 C LEU A 88 0.916 15.070 -11.424 1.00 0.00 C ATOM 1386 O LEU A 88 0.247 14.294 -12.112 1.00 0.00 O ATOM 1387 CB LEU A 88 3.331 14.402 -11.759 1.00 0.00 C ATOM 1388 CG LEU A 88 4.767 14.411 -11.197 1.00 0.00 C ATOM 1389 CD1 LEU A 88 5.119 13.170 -10.375 1.00 0.00 C ATOM 1390 CD2 LEU A 88 5.761 14.491 -12.359 1.00 0.00 C ATOM 0 H LEU A 88 2.342 12.515 -10.467 1.00 0.00 H new ATOM 0 HA LEU A 88 2.512 15.340 -10.001 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.171 13.457 -12.279 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.248 15.194 -12.504 1.00 0.00 H new ATOM 0 HG LEU A 88 4.826 15.275 -10.535 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.145 13.251 -10.015 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.441 13.092 -9.525 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.023 12.281 -10.999 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.778 14.498 -11.968 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.629 13.628 -13.011 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.585 15.405 -12.927 1.00 0.00 H new ATOM 1402 N HIS A 89 0.583 16.357 -11.280 1.00 0.00 N ATOM 1403 CA HIS A 89 -0.612 16.968 -11.895 1.00 0.00 C ATOM 1404 C HIS A 89 -0.426 17.337 -13.380 1.00 0.00 C ATOM 1405 O HIS A 89 -1.405 17.368 -14.129 1.00 0.00 O ATOM 1406 CB HIS A 89 -1.044 18.187 -11.063 1.00 0.00 C ATOM 1407 CG HIS A 89 -0.011 19.285 -10.958 1.00 0.00 C ATOM 1408 ND1 HIS A 89 0.262 20.246 -11.936 1.00 0.00 N ATOM 1409 CD2 HIS A 89 0.824 19.488 -9.898 1.00 0.00 C ATOM 1410 CE1 HIS A 89 1.257 21.004 -11.444 1.00 0.00 C ATOM 1411 NE2 HIS A 89 1.613 20.571 -10.222 1.00 0.00 N ATOM 0 H HIS A 89 1.136 17.014 -10.730 1.00 0.00 H new ATOM 0 HA HIS A 89 -1.401 16.216 -11.888 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -1.952 18.603 -11.500 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.299 17.851 -10.058 1.00 0.00 H new ATOM 0 HD2 HIS A 89 0.860 18.913 -8.984 1.00 0.00 H new ATOM 0 HE1 HIS A 89 1.706 21.841 -11.957 1.00 0.00 H new ATOM 0 HE2 HIS A 89 2.343 20.975 -9.635 1.00 0.00 H new ATOM 1419 N GLU A 90 0.810 17.586 -13.825 1.00 0.00 N ATOM 1420 CA GLU A 90 1.168 17.960 -15.202 1.00 0.00 C ATOM 1421 C GLU A 90 2.654 17.662 -15.493 1.00 0.00 C ATOM 1422 O GLU A 90 3.491 17.700 -14.584 1.00 0.00 O ATOM 1423 CB GLU A 90 0.843 19.455 -15.423 1.00 0.00 C ATOM 1424 CG GLU A 90 1.092 20.020 -16.831 1.00 0.00 C ATOM 1425 CD GLU A 90 0.310 19.274 -17.931 1.00 0.00 C ATOM 1426 OE1 GLU A 90 0.708 18.143 -18.300 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -0.697 19.822 -18.443 1.00 0.00 O ATOM 0 H GLU A 90 1.624 17.531 -13.212 1.00 0.00 H new ATOM 0 HA GLU A 90 0.581 17.361 -15.898 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.206 19.615 -15.174 1.00 0.00 H new ATOM 0 HB3 GLU A 90 1.431 20.038 -14.714 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.814 21.074 -16.847 1.00 0.00 H new ATOM 0 HG3 GLU A 90 2.158 19.968 -17.053 1.00 0.00 H new ATOM 1434 N ARG A 91 3.000 17.380 -16.757 1.00 0.00 N ATOM 1435 CA ARG A 91 4.389 17.199 -17.217 1.00 0.00 C ATOM 1436 C ARG A 91 5.099 18.558 -17.315 1.00 0.00 C ATOM 1437 O ARG A 91 4.705 19.411 -18.111 1.00 0.00 O ATOM 1438 CB ARG A 91 4.391 16.442 -18.559 1.00 0.00 C ATOM 1439 CG ARG A 91 5.780 15.880 -18.903 1.00 0.00 C ATOM 1440 CD ARG A 91 5.765 15.152 -20.256 1.00 0.00 C ATOM 1441 NE ARG A 91 6.980 14.336 -20.444 1.00 0.00 N ATOM 1442 CZ ARG A 91 8.150 14.729 -20.914 1.00 0.00 C ATOM 1443 NH1 ARG A 91 8.377 15.932 -21.344 1.00 0.00 N ATOM 1444 NH2 ARG A 91 9.167 13.919 -20.951 1.00 0.00 N ATOM 0 H ARG A 91 2.313 17.269 -17.503 1.00 0.00 H new ATOM 0 HA ARG A 91 4.944 16.601 -16.495 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.670 15.625 -18.515 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.065 17.113 -19.354 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.507 16.692 -18.932 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.101 15.192 -18.121 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.884 14.514 -20.317 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.687 15.881 -21.062 1.00 0.00 H new ATOM 0 HE ARG A 91 6.908 13.353 -20.180 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.632 16.628 -21.329 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.301 16.182 -21.697 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.069 12.962 -20.613 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.063 14.241 -21.318 1.00 0.00 H new ATOM 1458 N ILE A 92 6.141 18.761 -16.505 1.00 0.00 N ATOM 1459 CA ILE A 92 6.854 20.051 -16.395 1.00 0.00 C ATOM 1460 C ILE A 92 7.689 20.342 -17.656 1.00 0.00 C ATOM 1461 O ILE A 92 7.659 21.460 -18.178 1.00 0.00 O ATOM 1462 CB ILE A 92 7.703 20.081 -15.097 1.00 0.00 C ATOM 1463 CG1 ILE A 92 6.774 20.013 -13.857 1.00 0.00 C ATOM 1464 CG2 ILE A 92 8.596 21.336 -15.026 1.00 0.00 C ATOM 1465 CD1 ILE A 92 7.506 19.839 -12.520 1.00 0.00 C ATOM 0 H ILE A 92 6.522 18.034 -15.900 1.00 0.00 H new ATOM 0 HA ILE A 92 6.120 20.854 -16.327 1.00 0.00 H new ATOM 0 HB ILE A 92 8.360 19.211 -15.107 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.179 20.925 -13.815 1.00 0.00 H new ATOM 0 HG13 ILE A 92 6.078 19.184 -13.986 1.00 0.00 H new ATOM 0 HG21 ILE A 92 9.174 21.319 -14.102 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.275 21.348 -15.879 1.00 0.00 H new ATOM 0 HG23 ILE A 92 7.971 22.229 -15.047 1.00 0.00 H new ATOM 0 HD11 ILE A 92 6.779 19.802 -11.709 1.00 0.00 H new ATOM 0 HD12 ILE A 92 8.079 18.912 -12.537 1.00 0.00 H new ATOM 0 HD13 ILE A 92 8.181 20.680 -12.363 1.00 0.00 H new ATOM 1477 N GLN A 93 8.408 19.339 -18.172 1.00 0.00 N ATOM 1478 CA GLN A 93 9.176 19.436 -19.419 1.00 0.00 C ATOM 1479 C GLN A 93 8.235 19.430 -20.643 1.00 0.00 C ATOM 1480 O GLN A 93 7.406 18.527 -20.794 1.00 0.00 O ATOM 1481 CB GLN A 93 10.214 18.298 -19.449 1.00 0.00 C ATOM 1482 CG GLN A 93 11.180 18.372 -20.645 1.00 0.00 C ATOM 1483 CD GLN A 93 11.850 17.031 -20.951 1.00 0.00 C ATOM 1484 OE1 GLN A 93 11.199 16.040 -21.266 1.00 0.00 O ATOM 1485 NE2 GLN A 93 13.161 16.938 -20.890 1.00 0.00 N ATOM 0 H GLN A 93 8.474 18.423 -17.728 1.00 0.00 H new ATOM 0 HA GLN A 93 9.714 20.383 -19.463 1.00 0.00 H new ATOM 0 HB2 GLN A 93 10.792 18.321 -18.525 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.691 17.342 -19.474 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.634 18.710 -21.526 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.948 19.118 -20.440 1.00 0.00 H new ATOM 0 HE21 GLN A 93 13.718 17.752 -20.630 1.00 0.00 H new ATOM 0 HE22 GLN A 93 13.620 16.052 -21.103 1.00 0.00 H new ATOM 1494 N SER A 94 8.371 20.418 -21.533 1.00 0.00 N ATOM 1495 CA SER A 94 7.486 20.619 -22.698 1.00 0.00 C ATOM 1496 C SER A 94 7.730 19.642 -23.861 1.00 0.00 C ATOM 1497 O SER A 94 6.796 19.324 -24.601 1.00 0.00 O ATOM 1498 CB SER A 94 7.643 22.059 -23.200 1.00 0.00 C ATOM 1499 OG SER A 94 8.989 22.320 -23.574 1.00 0.00 O ATOM 0 H SER A 94 9.111 21.117 -21.468 1.00 0.00 H new ATOM 0 HA SER A 94 6.472 20.421 -22.351 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.985 22.225 -24.053 1.00 0.00 H new ATOM 0 HB3 SER A 94 7.336 22.756 -22.420 1.00 0.00 H new ATOM 0 HG SER A 94 9.067 23.243 -23.893 1.00 0.00 H new ATOM 1505 N SER A 95 8.963 19.149 -24.027 1.00 0.00 N ATOM 1506 CA SER A 95 9.375 18.215 -25.088 1.00 0.00 C ATOM 1507 C SER A 95 10.612 17.410 -24.668 1.00 0.00 C ATOM 1508 O SER A 95 11.414 17.885 -23.862 1.00 0.00 O ATOM 1509 CB SER A 95 9.655 18.993 -26.381 1.00 0.00 C ATOM 1510 OG SER A 95 9.986 18.109 -27.441 1.00 0.00 O ATOM 0 H SER A 95 9.732 19.397 -23.404 1.00 0.00 H new ATOM 0 HA SER A 95 8.563 17.509 -25.262 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.779 19.582 -26.653 1.00 0.00 H new ATOM 0 HB3 SER A 95 10.473 19.695 -26.218 1.00 0.00 H new ATOM 0 HG SER A 95 10.159 18.625 -28.256 1.00 0.00 H new ATOM 1516 N SER A 96 10.773 16.193 -25.200 1.00 0.00 N ATOM 1517 CA SER A 96 11.849 15.243 -24.859 1.00 0.00 C ATOM 1518 C SER A 96 13.215 15.641 -25.460 1.00 0.00 C ATOM 1519 O SER A 96 13.763 14.974 -26.343 1.00 0.00 O ATOM 1520 CB SER A 96 11.413 13.822 -25.246 1.00 0.00 C ATOM 1521 OG SER A 96 12.329 12.846 -24.771 1.00 0.00 O ATOM 0 H SER A 96 10.136 15.825 -25.907 1.00 0.00 H new ATOM 0 HA SER A 96 12.008 15.272 -23.781 1.00 0.00 H new ATOM 0 HB2 SER A 96 10.422 13.621 -24.838 1.00 0.00 H new ATOM 0 HB3 SER A 96 11.332 13.748 -26.330 1.00 0.00 H new ATOM 0 HG SER A 96 12.021 11.953 -25.033 1.00 0.00 H new ATOM 1527 N MET A 97 13.754 16.768 -24.992 1.00 0.00 N ATOM 1528 CA MET A 97 15.067 17.318 -25.356 1.00 0.00 C ATOM 1529 C MET A 97 16.236 16.473 -24.809 1.00 0.00 C ATOM 1530 O MET A 97 16.070 15.680 -23.877 1.00 0.00 O ATOM 1531 CB MET A 97 15.159 18.767 -24.844 1.00 0.00 C ATOM 1532 CG MET A 97 14.142 19.690 -25.530 1.00 0.00 C ATOM 1533 SD MET A 97 14.065 21.378 -24.865 1.00 0.00 S ATOM 1534 CE MET A 97 13.195 21.072 -23.299 1.00 0.00 C ATOM 0 H MET A 97 13.265 17.353 -24.315 1.00 0.00 H new ATOM 0 HA MET A 97 15.155 17.296 -26.442 1.00 0.00 H new ATOM 0 HB2 MET A 97 14.991 18.781 -23.767 1.00 0.00 H new ATOM 0 HB3 MET A 97 16.166 19.148 -25.015 1.00 0.00 H new ATOM 0 HG2 MET A 97 14.382 19.745 -26.592 1.00 0.00 H new ATOM 0 HG3 MET A 97 13.153 19.239 -25.450 1.00 0.00 H new ATOM 0 HE1 MET A 97 12.972 22.023 -22.815 1.00 0.00 H new ATOM 0 HE2 MET A 97 12.265 20.539 -23.497 1.00 0.00 H new ATOM 0 HE3 MET A 97 13.825 20.471 -22.644 1.00 0.00 H new ATOM 1544 N ASP A 98 17.435 16.656 -25.372 1.00 0.00 N ATOM 1545 CA ASP A 98 18.666 15.972 -24.942 1.00 0.00 C ATOM 1546 C ASP A 98 19.013 16.292 -23.471 1.00 0.00 C ATOM 1547 O ASP A 98 19.080 17.458 -23.070 1.00 0.00 O ATOM 1548 CB ASP A 98 19.807 16.346 -25.907 1.00 0.00 C ATOM 1549 CG ASP A 98 21.123 15.565 -25.707 1.00 0.00 C ATOM 1550 OD1 ASP A 98 22.006 15.668 -26.593 1.00 0.00 O ATOM 1551 OD2 ASP A 98 21.278 14.832 -24.701 1.00 0.00 O ATOM 0 H ASP A 98 17.583 17.294 -26.154 1.00 0.00 H new ATOM 0 HA ASP A 98 18.514 14.893 -24.982 1.00 0.00 H new ATOM 0 HB2 ASP A 98 19.462 16.189 -26.929 1.00 0.00 H new ATOM 0 HB3 ASP A 98 20.016 17.411 -25.801 1.00 0.00 H new ATOM 1556 N ALA A 99 19.232 15.250 -22.661 1.00 0.00 N ATOM 1557 CA ALA A 99 19.531 15.352 -21.231 1.00 0.00 C ATOM 1558 C ALA A 99 20.930 15.923 -20.903 1.00 0.00 C ATOM 1559 O ALA A 99 21.181 16.286 -19.748 1.00 0.00 O ATOM 1560 CB ALA A 99 19.345 13.956 -20.618 1.00 0.00 C ATOM 0 H ALA A 99 19.205 14.286 -22.993 1.00 0.00 H new ATOM 0 HA ALA A 99 18.842 16.076 -20.797 1.00 0.00 H new ATOM 0 HB1 ALA A 99 19.560 13.996 -19.550 1.00 0.00 H new ATOM 0 HB2 ALA A 99 18.317 13.626 -20.769 1.00 0.00 H new ATOM 0 HB3 ALA A 99 20.025 13.254 -21.099 1.00 0.00 H new ATOM 1566 N LYS A 100 21.836 16.007 -21.889 1.00 0.00 N ATOM 1567 CA LYS A 100 23.227 16.479 -21.731 1.00 0.00 C ATOM 1568 C LYS A 100 23.554 17.678 -22.633 1.00 0.00 C ATOM 1569 O LYS A 100 23.105 17.755 -23.778 1.00 0.00 O ATOM 1570 CB LYS A 100 24.213 15.322 -21.989 1.00 0.00 C ATOM 1571 CG LYS A 100 24.083 14.115 -21.042 1.00 0.00 C ATOM 1572 CD LYS A 100 24.407 14.450 -19.576 1.00 0.00 C ATOM 1573 CE LYS A 100 24.299 13.227 -18.652 1.00 0.00 C ATOM 1574 NZ LYS A 100 25.381 12.234 -18.889 1.00 0.00 N ATOM 0 H LYS A 100 21.618 15.741 -22.849 1.00 0.00 H new ATOM 0 HA LYS A 100 23.333 16.824 -20.703 1.00 0.00 H new ATOM 0 HB2 LYS A 100 24.077 14.974 -23.013 1.00 0.00 H new ATOM 0 HB3 LYS A 100 25.229 15.711 -21.916 1.00 0.00 H new ATOM 0 HG2 LYS A 100 23.067 13.724 -21.101 1.00 0.00 H new ATOM 0 HG3 LYS A 100 24.750 13.323 -21.382 1.00 0.00 H new ATOM 0 HD2 LYS A 100 25.416 14.859 -19.515 1.00 0.00 H new ATOM 0 HD3 LYS A 100 23.727 15.226 -19.226 1.00 0.00 H new ATOM 0 HE2 LYS A 100 24.334 13.556 -17.614 1.00 0.00 H new ATOM 0 HE3 LYS A 100 23.332 12.747 -18.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 25.272 11.438 -18.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 25.323 11.884 -19.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 26.306 12.685 -18.737 1.00 0.00 H new ATOM 1588 N LEU A 101 24.374 18.593 -22.112 1.00 0.00 N ATOM 1589 CA LEU A 101 24.991 19.702 -22.851 1.00 0.00 C ATOM 1590 C LEU A 101 26.281 19.224 -23.547 1.00 0.00 C ATOM 1591 O LEU A 101 27.125 18.589 -22.911 1.00 0.00 O ATOM 1592 CB LEU A 101 25.255 20.846 -21.851 1.00 0.00 C ATOM 1593 CG LEU A 101 25.930 22.095 -22.446 1.00 0.00 C ATOM 1594 CD1 LEU A 101 25.018 22.819 -23.437 1.00 0.00 C ATOM 1595 CD2 LEU A 101 26.291 23.074 -21.329 1.00 0.00 C ATOM 0 H LEU A 101 24.638 18.584 -21.127 1.00 0.00 H new ATOM 0 HA LEU A 101 24.330 20.066 -23.638 1.00 0.00 H new ATOM 0 HB2 LEU A 101 24.306 21.143 -21.405 1.00 0.00 H new ATOM 0 HB3 LEU A 101 25.881 20.464 -21.044 1.00 0.00 H new ATOM 0 HG LEU A 101 26.823 21.757 -22.971 1.00 0.00 H new ATOM 0 HD11 LEU A 101 25.533 23.694 -23.833 1.00 0.00 H new ATOM 0 HD12 LEU A 101 24.764 22.146 -24.256 1.00 0.00 H new ATOM 0 HD13 LEU A 101 24.106 23.134 -22.929 1.00 0.00 H new ATOM 0 HD21 LEU A 101 26.768 23.955 -21.758 1.00 0.00 H new ATOM 0 HD22 LEU A 101 25.386 23.373 -20.800 1.00 0.00 H new ATOM 0 HD23 LEU A 101 26.977 22.593 -20.631 1.00 0.00 H new ATOM 1607 N GLU A 102 26.460 19.528 -24.835 1.00 0.00 N ATOM 1608 CA GLU A 102 27.629 19.082 -25.613 1.00 0.00 C ATOM 1609 C GLU A 102 28.911 19.882 -25.314 1.00 0.00 C ATOM 1610 O GLU A 102 30.007 19.315 -25.325 1.00 0.00 O ATOM 1611 CB GLU A 102 27.294 19.056 -27.120 1.00 0.00 C ATOM 1612 CG GLU A 102 27.312 20.396 -27.880 1.00 0.00 C ATOM 1613 CD GLU A 102 26.339 21.466 -27.350 1.00 0.00 C ATOM 1614 OE1 GLU A 102 25.244 21.129 -26.844 1.00 0.00 O ATOM 1615 OE2 GLU A 102 26.663 22.673 -27.453 1.00 0.00 O ATOM 0 H GLU A 102 25.800 20.091 -25.372 1.00 0.00 H new ATOM 0 HA GLU A 102 27.854 18.065 -25.292 1.00 0.00 H new ATOM 0 HB2 GLU A 102 27.999 18.384 -27.609 1.00 0.00 H new ATOM 0 HB3 GLU A 102 26.303 18.618 -27.236 1.00 0.00 H new ATOM 0 HG2 GLU A 102 28.324 20.800 -27.847 1.00 0.00 H new ATOM 0 HG3 GLU A 102 27.080 20.204 -28.927 1.00 0.00 H new ATOM 1622 N ALA A 103 28.780 21.182 -25.032 1.00 0.00 N ATOM 1623 CA ALA A 103 29.871 22.110 -24.732 1.00 0.00 C ATOM 1624 C ALA A 103 29.340 23.405 -24.085 1.00 0.00 C ATOM 1625 O ALA A 103 28.188 23.790 -24.305 1.00 0.00 O ATOM 1626 CB ALA A 103 30.613 22.434 -26.039 1.00 0.00 C ATOM 0 H ALA A 103 27.867 21.636 -25.006 1.00 0.00 H new ATOM 0 HA ALA A 103 30.552 21.643 -24.020 1.00 0.00 H new ATOM 0 HB1 ALA A 103 31.430 23.125 -25.832 1.00 0.00 H new ATOM 0 HB2 ALA A 103 31.015 21.515 -26.467 1.00 0.00 H new ATOM 0 HB3 ALA A 103 29.921 22.891 -26.746 1.00 0.00 H new ATOM 1632 N LEU A 104 30.182 24.109 -23.320 1.00 0.00 N ATOM 1633 CA LEU A 104 29.864 25.452 -22.816 1.00 0.00 C ATOM 1634 C LEU A 104 29.761 26.454 -23.983 1.00 0.00 C ATOM 1635 O LEU A 104 30.617 26.471 -24.874 1.00 0.00 O ATOM 1636 CB LEU A 104 30.911 25.906 -21.781 1.00 0.00 C ATOM 1637 CG LEU A 104 31.039 25.010 -20.533 1.00 0.00 C ATOM 1638 CD1 LEU A 104 32.140 25.554 -19.621 1.00 0.00 C ATOM 1639 CD2 LEU A 104 29.742 24.941 -19.722 1.00 0.00 C ATOM 0 H LEU A 104 31.099 23.767 -23.033 1.00 0.00 H new ATOM 0 HA LEU A 104 28.896 25.416 -22.316 1.00 0.00 H new ATOM 0 HB2 LEU A 104 31.883 25.958 -22.271 1.00 0.00 H new ATOM 0 HB3 LEU A 104 30.663 26.917 -21.458 1.00 0.00 H new ATOM 0 HG LEU A 104 31.275 24.007 -20.889 1.00 0.00 H new ATOM 0 HD11 LEU A 104 32.229 24.919 -18.739 1.00 0.00 H new ATOM 0 HD12 LEU A 104 33.088 25.562 -20.159 1.00 0.00 H new ATOM 0 HD13 LEU A 104 31.889 26.569 -19.313 1.00 0.00 H new ATOM 0 HD21 LEU A 104 29.889 24.297 -18.855 1.00 0.00 H new ATOM 0 HD22 LEU A 104 29.468 25.942 -19.388 1.00 0.00 H new ATOM 0 HD23 LEU A 104 28.945 24.535 -20.345 1.00 0.00 H new ATOM 1651 N LYS A 105 28.707 27.280 -23.989 1.00 0.00 N ATOM 1652 CA LYS A 105 28.408 28.223 -25.082 1.00 0.00 C ATOM 1653 C LYS A 105 29.356 29.431 -25.071 1.00 0.00 C ATOM 1654 O LYS A 105 29.586 30.039 -24.024 1.00 0.00 O ATOM 1655 CB LYS A 105 26.940 28.688 -25.011 1.00 0.00 C ATOM 1656 CG LYS A 105 25.884 27.566 -24.982 1.00 0.00 C ATOM 1657 CD LYS A 105 25.958 26.597 -26.172 1.00 0.00 C ATOM 1658 CE LYS A 105 24.753 25.649 -26.132 1.00 0.00 C ATOM 1659 NZ LYS A 105 24.777 24.671 -27.249 1.00 0.00 N ATOM 0 H LYS A 105 28.029 27.315 -23.228 1.00 0.00 H new ATOM 0 HA LYS A 105 28.564 27.693 -26.021 1.00 0.00 H new ATOM 0 HB2 LYS A 105 26.815 29.302 -24.119 1.00 0.00 H new ATOM 0 HB3 LYS A 105 26.739 29.329 -25.870 1.00 0.00 H new ATOM 0 HG2 LYS A 105 25.999 26.998 -24.059 1.00 0.00 H new ATOM 0 HG3 LYS A 105 24.892 28.017 -24.957 1.00 0.00 H new ATOM 0 HD2 LYS A 105 25.966 27.154 -27.109 1.00 0.00 H new ATOM 0 HD3 LYS A 105 26.886 26.026 -26.133 1.00 0.00 H new ATOM 0 HE2 LYS A 105 24.744 25.114 -25.182 1.00 0.00 H new ATOM 0 HE3 LYS A 105 23.832 26.231 -26.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 23.876 24.152 -27.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 24.913 25.175 -28.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 25.559 24.000 -27.106 1.00 0.00 H new ATOM 1673 N ASP A 106 29.871 29.805 -26.242 1.00 0.00 N ATOM 1674 CA ASP A 106 30.648 31.038 -26.441 1.00 0.00 C ATOM 1675 C ASP A 106 29.739 32.276 -26.563 1.00 0.00 C ATOM 1676 O ASP A 106 28.660 32.209 -27.158 1.00 0.00 O ATOM 1677 CB ASP A 106 31.547 30.916 -27.685 1.00 0.00 C ATOM 1678 CG ASP A 106 32.624 29.819 -27.593 1.00 0.00 C ATOM 1679 OD1 ASP A 106 33.108 29.506 -26.478 1.00 0.00 O ATOM 1680 OD2 ASP A 106 33.027 29.291 -28.658 1.00 0.00 O ATOM 0 H ASP A 106 29.761 29.255 -27.094 1.00 0.00 H new ATOM 0 HA ASP A 106 31.275 31.172 -25.559 1.00 0.00 H new ATOM 0 HB2 ASP A 106 30.918 30.718 -28.553 1.00 0.00 H new ATOM 0 HB3 ASP A 106 32.037 31.874 -27.858 1.00 0.00 H new ATOM 1685 N LEU A 107 30.196 33.418 -26.033 1.00 0.00 N ATOM 1686 CA LEU A 107 29.517 34.721 -26.091 1.00 0.00 C ATOM 1687 C LEU A 107 30.534 35.852 -26.335 1.00 0.00 C ATOM 1688 O LEU A 107 31.580 35.907 -25.681 1.00 0.00 O ATOM 1689 CB LEU A 107 28.732 34.978 -24.785 1.00 0.00 C ATOM 1690 CG LEU A 107 27.539 34.040 -24.514 1.00 0.00 C ATOM 1691 CD1 LEU A 107 26.997 34.293 -23.106 1.00 0.00 C ATOM 1692 CD2 LEU A 107 26.391 34.261 -25.503 1.00 0.00 C ATOM 0 H LEU A 107 31.084 33.462 -25.532 1.00 0.00 H new ATOM 0 HA LEU A 107 28.813 34.705 -26.923 1.00 0.00 H new ATOM 0 HB2 LEU A 107 29.425 34.902 -23.947 1.00 0.00 H new ATOM 0 HB3 LEU A 107 28.365 36.004 -24.802 1.00 0.00 H new ATOM 0 HG LEU A 107 27.906 33.019 -24.624 1.00 0.00 H new ATOM 0 HD11 LEU A 107 26.154 33.629 -22.916 1.00 0.00 H new ATOM 0 HD12 LEU A 107 27.782 34.101 -22.374 1.00 0.00 H new ATOM 0 HD13 LEU A 107 26.669 35.329 -23.023 1.00 0.00 H new ATOM 0 HD21 LEU A 107 25.574 33.577 -25.271 1.00 0.00 H new ATOM 0 HD22 LEU A 107 26.037 35.289 -25.425 1.00 0.00 H new ATOM 0 HD23 LEU A 107 26.744 34.074 -26.517 1.00 0.00 H new ATOM 1704 N ALA A 108 30.214 36.761 -27.260 1.00 0.00 N ATOM 1705 CA ALA A 108 31.018 37.936 -27.617 1.00 0.00 C ATOM 1706 C ALA A 108 30.161 39.022 -28.304 1.00 0.00 C ATOM 1707 O ALA A 108 29.127 38.719 -28.909 1.00 0.00 O ATOM 1708 CB ALA A 108 32.168 37.495 -28.539 1.00 0.00 C ATOM 0 H ALA A 108 29.353 36.697 -27.803 1.00 0.00 H new ATOM 0 HA ALA A 108 31.423 38.374 -26.704 1.00 0.00 H new ATOM 0 HB1 ALA A 108 32.771 38.362 -28.809 1.00 0.00 H new ATOM 0 HB2 ALA A 108 32.792 36.767 -28.020 1.00 0.00 H new ATOM 0 HB3 ALA A 108 31.758 37.043 -29.442 1.00 0.00 H new ATOM 1714 N SER A 109 30.603 40.283 -28.244 1.00 0.00 N ATOM 1715 CA SER A 109 29.992 41.391 -28.997 1.00 0.00 C ATOM 1716 C SER A 109 30.313 41.316 -30.498 1.00 0.00 C ATOM 1717 O SER A 109 31.392 40.864 -30.896 1.00 0.00 O ATOM 1718 CB SER A 109 30.441 42.742 -28.427 1.00 0.00 C ATOM 1719 OG SER A 109 29.785 43.801 -29.105 1.00 0.00 O ATOM 0 H SER A 109 31.397 40.568 -27.671 1.00 0.00 H new ATOM 0 HA SER A 109 28.912 41.297 -28.887 1.00 0.00 H new ATOM 0 HB2 SER A 109 30.217 42.788 -27.361 1.00 0.00 H new ATOM 0 HB3 SER A 109 31.521 42.848 -28.530 1.00 0.00 H new ATOM 0 HG SER A 109 30.078 44.659 -28.732 1.00 0.00 H new ATOM 1725 N LEU A 110 29.388 41.791 -31.338 1.00 0.00 N ATOM 1726 CA LEU A 110 29.563 41.906 -32.794 1.00 0.00 C ATOM 1727 C LEU A 110 30.387 43.143 -33.221 1.00 0.00 C ATOM 1728 O LEU A 110 30.755 43.252 -34.394 1.00 0.00 O ATOM 1729 CB LEU A 110 28.177 41.905 -33.474 1.00 0.00 C ATOM 1730 CG LEU A 110 27.301 40.666 -33.193 1.00 0.00 C ATOM 1731 CD1 LEU A 110 25.961 40.811 -33.917 1.00 0.00 C ATOM 1732 CD2 LEU A 110 27.955 39.363 -33.661 1.00 0.00 C ATOM 0 H LEU A 110 28.475 42.114 -31.020 1.00 0.00 H new ATOM 0 HA LEU A 110 30.142 41.043 -33.121 1.00 0.00 H new ATOM 0 HB2 LEU A 110 27.633 42.793 -33.153 1.00 0.00 H new ATOM 0 HB3 LEU A 110 28.320 41.991 -34.551 1.00 0.00 H new ATOM 0 HG LEU A 110 27.167 40.614 -32.113 1.00 0.00 H new ATOM 0 HD11 LEU A 110 25.343 39.935 -33.718 1.00 0.00 H new ATOM 0 HD12 LEU A 110 25.449 41.705 -33.560 1.00 0.00 H new ATOM 0 HD13 LEU A 110 26.134 40.896 -34.990 1.00 0.00 H new ATOM 0 HD21 LEU A 110 27.295 38.524 -33.438 1.00 0.00 H new ATOM 0 HD22 LEU A 110 28.132 39.410 -34.735 1.00 0.00 H new ATOM 0 HD23 LEU A 110 28.904 39.226 -33.143 1.00 0.00 H new ATOM 1744 N SER A 111 30.683 44.064 -32.294 1.00 0.00 N ATOM 1745 CA SER A 111 31.389 45.336 -32.545 1.00 0.00 C ATOM 1746 C SER A 111 32.460 45.641 -31.485 1.00 0.00 C ATOM 1747 O SER A 111 32.350 45.219 -30.329 1.00 0.00 O ATOM 1748 CB SER A 111 30.395 46.507 -32.600 1.00 0.00 C ATOM 1749 OG SER A 111 29.448 46.344 -33.647 1.00 0.00 O ATOM 0 H SER A 111 30.430 43.943 -31.313 1.00 0.00 H new ATOM 0 HA SER A 111 31.889 45.221 -33.507 1.00 0.00 H new ATOM 0 HB2 SER A 111 29.873 46.586 -31.646 1.00 0.00 H new ATOM 0 HB3 SER A 111 30.940 47.440 -32.744 1.00 0.00 H new ATOM 0 HG SER A 111 28.831 47.105 -33.651 1.00 0.00 H new ATOM 1755 N ARG A 112 33.491 46.410 -31.868 1.00 0.00 N ATOM 1756 CA ARG A 112 34.572 46.872 -30.970 1.00 0.00 C ATOM 1757 C ARG A 112 34.089 47.890 -29.923 1.00 0.00 C ATOM 1758 O ARG A 112 34.584 47.892 -28.794 1.00 0.00 O ATOM 1759 CB ARG A 112 35.710 47.446 -31.838 1.00 0.00 C ATOM 1760 CG ARG A 112 36.965 47.810 -31.029 1.00 0.00 C ATOM 1761 CD ARG A 112 38.091 48.290 -31.953 1.00 0.00 C ATOM 1762 NE ARG A 112 39.295 48.665 -31.186 1.00 0.00 N ATOM 1763 CZ ARG A 112 40.425 49.146 -31.674 1.00 0.00 C ATOM 1764 NH1 ARG A 112 40.602 49.341 -32.951 1.00 0.00 N ATOM 1765 NH2 ARG A 112 41.413 49.443 -30.879 1.00 0.00 N ATOM 0 H ARG A 112 33.603 46.737 -32.828 1.00 0.00 H new ATOM 0 HA ARG A 112 34.934 46.021 -30.393 1.00 0.00 H new ATOM 0 HB2 ARG A 112 35.978 46.717 -32.603 1.00 0.00 H new ATOM 0 HB3 ARG A 112 35.350 48.334 -32.357 1.00 0.00 H new ATOM 0 HG2 ARG A 112 36.724 48.590 -30.307 1.00 0.00 H new ATOM 0 HG3 ARG A 112 37.300 46.943 -30.460 1.00 0.00 H new ATOM 0 HD2 ARG A 112 38.341 47.502 -32.663 1.00 0.00 H new ATOM 0 HD3 ARG A 112 37.747 49.146 -32.534 1.00 0.00 H new ATOM 0 HE ARG A 112 39.250 48.540 -30.175 1.00 0.00 H new ATOM 0 HH11 ARG A 112 39.854 49.121 -33.609 1.00 0.00 H new ATOM 0 HH12 ARG A 112 41.488 49.714 -33.292 1.00 0.00 H new ATOM 0 HH21 ARG A 112 41.317 49.305 -29.873 1.00 0.00 H new ATOM 0 HH22 ARG A 112 42.282 49.814 -31.262 1.00 0.00 H new ATOM 1779 N ASP A 113 33.120 48.733 -30.292 1.00 0.00 N ATOM 1780 CA ASP A 113 32.520 49.799 -29.465 1.00 0.00 C ATOM 1781 C ASP A 113 31.034 50.031 -29.817 1.00 0.00 C ATOM 1782 O ASP A 113 30.748 50.649 -30.869 1.00 0.00 O ATOM 1783 CB ASP A 113 33.363 51.087 -29.612 1.00 0.00 C ATOM 1784 CG ASP A 113 32.844 52.312 -28.821 1.00 0.00 C ATOM 1785 OD1 ASP A 113 33.237 53.453 -29.170 1.00 0.00 O ATOM 1786 OD2 ASP A 113 32.089 52.156 -27.828 1.00 0.00 O ATOM 1787 OXT ASP A 113 30.159 49.540 -29.068 1.00 0.00 O ATOM 0 H ASP A 113 32.707 48.693 -31.224 1.00 0.00 H new ATOM 0 HA ASP A 113 32.532 49.490 -28.420 1.00 0.00 H new ATOM 0 HB2 ASP A 113 34.382 50.873 -29.290 1.00 0.00 H new ATOM 0 HB3 ASP A 113 33.411 51.351 -30.668 1.00 0.00 H new TER 1792 ASP A 113