USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 879 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 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 78 CYS SG : rot -56:sc= 0.214 USER MOD Set 1.3: A 82 ASN : amide:sc= 0.204 K(o=0.42,f=-0.47) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0906 X(o=-0.091,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 CYS SG : rot -109:sc= 0.422 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 158:sc= -0.0605 (180deg=-0.435) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -1.26 K(o=-1.3,f=-3.4!) USER MOD Single : A 21 TYR OH : rot 30:sc= -0.499 USER MOD Single : A 26 TYR OH : rot 174:sc= -0.311 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= 0.0255 K(o=0.025,f=-0.94) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot -22:sc= 0.00505 USER MOD Single : A 44 LYS NZ :NH3+ 150:sc= -0.156 (180deg=-0.896) USER MOD Single : A 45 HIS : no HD1:sc= -0.0787 X(o=-0.079,f=-0.22) USER MOD Single : A 47 MET CE :methyl 158:sc= -1.49 (180deg=-2.57!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -109:sc= -0.224 (180deg=-1.43!) USER MOD Single : A 54 SER OG : rot -67:sc= 1.24 USER MOD Single : A 55 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0402) USER MOD Single : A 61 TYR OH : rot 130:sc= -0.547 USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-2.2) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -1.68 K(o=-1.7,f=-4.4!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -1.99 K(o=-2,f=-4!) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl -172:sc= 0 (180deg=-0.026) USER MOD Single : A 108 GLN : amide:sc= -0.0207 K(o=-0.021,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 171.920 -17.964 11.712 1.00 0.00 N ATOM 2 CA GLU A 1 172.057 -17.941 10.229 1.00 0.00 C ATOM 3 C GLU A 1 172.779 -16.681 9.757 1.00 0.00 C ATOM 4 O GLU A 1 172.607 -15.603 10.332 1.00 0.00 O ATOM 5 CB GLU A 1 170.660 -18.008 9.602 1.00 0.00 C ATOM 6 CG GLU A 1 170.660 -18.488 8.158 1.00 0.00 C ATOM 7 CD GLU A 1 170.305 -19.956 8.032 1.00 0.00 C ATOM 8 OE1 GLU A 1 169.099 -20.278 8.038 1.00 0.00 O ATOM 9 OE2 GLU A 1 171.235 -20.784 7.930 1.00 0.00 O ATOM 0 H1 GLU A 1 171.426 -18.832 12.002 1.00 0.00 H new ATOM 0 H2 GLU A 1 172.864 -17.941 12.148 1.00 0.00 H new ATOM 0 H3 GLU A 1 171.375 -17.135 12.023 1.00 0.00 H new ATOM 0 HA GLU A 1 172.652 -18.800 9.918 1.00 0.00 H new ATOM 0 HB2 GLU A 1 170.036 -18.675 10.197 1.00 0.00 H new ATOM 0 HB3 GLU A 1 170.203 -17.019 9.647 1.00 0.00 H new ATOM 0 HG2 GLU A 1 169.949 -17.895 7.582 1.00 0.00 H new ATOM 0 HG3 GLU A 1 171.644 -18.317 7.722 1.00 0.00 H new ATOM 18 N GLN A 2 173.584 -16.826 8.704 1.00 0.00 N ATOM 19 CA GLN A 2 174.333 -15.701 8.144 1.00 0.00 C ATOM 20 C GLN A 2 173.385 -14.650 7.567 1.00 0.00 C ATOM 21 O GLN A 2 173.581 -13.450 7.769 1.00 0.00 O ATOM 22 CB GLN A 2 175.300 -16.186 7.059 1.00 0.00 C ATOM 23 CG GLN A 2 176.261 -17.267 7.533 1.00 0.00 C ATOM 24 CD GLN A 2 176.506 -18.336 6.483 1.00 0.00 C ATOM 25 OE1 GLN A 2 177.635 -18.535 6.037 1.00 0.00 O ATOM 26 NE2 GLN A 2 175.447 -19.034 6.083 1.00 0.00 N ATOM 0 H GLN A 2 173.734 -17.712 8.222 1.00 0.00 H new ATOM 0 HA GLN A 2 174.908 -15.245 8.950 1.00 0.00 H new ATOM 0 HB2 GLN A 2 174.724 -16.569 6.216 1.00 0.00 H new ATOM 0 HB3 GLN A 2 175.876 -15.336 6.692 1.00 0.00 H new ATOM 0 HG2 GLN A 2 177.211 -16.808 7.807 1.00 0.00 H new ATOM 0 HG3 GLN A 2 175.861 -17.733 8.434 1.00 0.00 H new ATOM 0 HE21 GLN A 2 174.528 -18.837 6.478 1.00 0.00 H new ATOM 0 HE22 GLN A 2 175.554 -19.766 5.381 1.00 0.00 H new ATOM 35 N LEU A 3 172.352 -15.112 6.857 1.00 0.00 N ATOM 36 CA LEU A 3 171.364 -14.215 6.257 1.00 0.00 C ATOM 37 C LEU A 3 170.665 -13.377 7.329 1.00 0.00 C ATOM 38 O LEU A 3 170.447 -12.178 7.145 1.00 0.00 O ATOM 39 CB LEU A 3 170.328 -15.016 5.462 1.00 0.00 C ATOM 40 CG LEU A 3 170.823 -15.576 4.125 1.00 0.00 C ATOM 41 CD1 LEU A 3 170.274 -16.976 3.895 1.00 0.00 C ATOM 42 CD2 LEU A 3 170.431 -14.651 2.982 1.00 0.00 C ATOM 0 H LEU A 3 172.179 -16.102 6.684 1.00 0.00 H new ATOM 0 HA LEU A 3 171.888 -13.542 5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 3 169.982 -15.845 6.079 1.00 0.00 H new ATOM 0 HB3 LEU A 3 169.465 -14.377 5.273 1.00 0.00 H new ATOM 0 HG LEU A 3 171.911 -15.637 4.159 1.00 0.00 H new ATOM 0 HD11 LEU A 3 170.637 -17.357 2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 3 170.607 -17.634 4.698 1.00 0.00 H new ATOM 0 HD13 LEU A 3 169.185 -16.942 3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 3 170.791 -15.064 2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 3 169.346 -14.557 2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 3 170.875 -13.668 3.140 1.00 0.00 H new ATOM 54 N LYS A 4 170.326 -14.014 8.453 1.00 0.00 N ATOM 55 CA LYS A 4 169.662 -13.323 9.558 1.00 0.00 C ATOM 56 C LYS A 4 170.583 -12.273 10.182 1.00 0.00 C ATOM 57 O LYS A 4 170.124 -11.210 10.602 1.00 0.00 O ATOM 58 CB LYS A 4 169.214 -14.323 10.629 1.00 0.00 C ATOM 59 CG LYS A 4 167.731 -14.241 10.955 1.00 0.00 C ATOM 60 CD LYS A 4 167.449 -14.638 12.397 1.00 0.00 C ATOM 61 CE LYS A 4 167.483 -13.434 13.328 1.00 0.00 C ATOM 62 NZ LYS A 4 168.189 -13.732 14.607 1.00 0.00 N ATOM 0 H LYS A 4 170.501 -15.005 8.620 1.00 0.00 H new ATOM 0 HA LYS A 4 168.784 -12.819 9.154 1.00 0.00 H new ATOM 0 HB2 LYS A 4 169.448 -15.333 10.292 1.00 0.00 H new ATOM 0 HB3 LYS A 4 169.788 -14.149 11.539 1.00 0.00 H new ATOM 0 HG2 LYS A 4 167.376 -13.225 10.781 1.00 0.00 H new ATOM 0 HG3 LYS A 4 167.174 -14.893 10.282 1.00 0.00 H new ATOM 0 HD2 LYS A 4 166.472 -15.118 12.458 1.00 0.00 H new ATOM 0 HD3 LYS A 4 168.186 -15.372 12.723 1.00 0.00 H new ATOM 0 HE2 LYS A 4 167.978 -12.603 12.826 1.00 0.00 H new ATOM 0 HE3 LYS A 4 166.463 -13.114 13.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 168.188 -12.884 15.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 167.702 -14.508 15.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 169.170 -14.012 14.405 1.00 0.00 H new ATOM 76 N CYS A 5 171.883 -12.577 10.237 1.00 0.00 N ATOM 77 CA CYS A 5 172.867 -11.655 10.806 1.00 0.00 C ATOM 78 C CYS A 5 172.927 -10.351 10.008 1.00 0.00 C ATOM 79 O CYS A 5 173.079 -9.272 10.584 1.00 0.00 O ATOM 80 CB CYS A 5 174.252 -12.305 10.845 1.00 0.00 C ATOM 81 SG CYS A 5 175.348 -11.629 12.115 1.00 0.00 S ATOM 0 H CYS A 5 172.277 -13.453 9.895 1.00 0.00 H new ATOM 0 HA CYS A 5 172.554 -11.422 11.824 1.00 0.00 H new ATOM 0 HB2 CYS A 5 174.135 -13.375 11.013 1.00 0.00 H new ATOM 0 HB3 CYS A 5 174.725 -12.186 9.870 1.00 0.00 H new ATOM 0 HG CYS A 5 176.289 -10.932 11.550 1.00 0.00 H new ATOM 87 N CYS A 6 172.798 -10.459 8.680 1.00 0.00 N ATOM 88 CA CYS A 6 172.827 -9.286 7.801 1.00 0.00 C ATOM 89 C CYS A 6 171.724 -8.295 8.179 1.00 0.00 C ATOM 90 O CYS A 6 171.936 -7.080 8.157 1.00 0.00 O ATOM 91 CB CYS A 6 172.668 -9.707 6.335 1.00 0.00 C ATOM 92 SG CYS A 6 174.226 -10.065 5.490 1.00 0.00 S ATOM 0 H CYS A 6 172.673 -11.346 8.192 1.00 0.00 H new ATOM 0 HA CYS A 6 173.793 -8.797 7.926 1.00 0.00 H new ATOM 0 HB2 CYS A 6 172.032 -10.591 6.290 1.00 0.00 H new ATOM 0 HB3 CYS A 6 172.150 -8.914 5.796 1.00 0.00 H new ATOM 0 HG CYS A 6 173.983 -10.412 4.261 1.00 0.00 H new ATOM 98 N SER A 7 170.548 -8.824 8.533 1.00 0.00 N ATOM 99 CA SER A 7 169.410 -7.992 8.924 1.00 0.00 C ATOM 100 C SER A 7 169.748 -7.136 10.146 1.00 0.00 C ATOM 101 O SER A 7 169.349 -5.973 10.224 1.00 0.00 O ATOM 102 CB SER A 7 168.185 -8.864 9.220 1.00 0.00 C ATOM 103 OG SER A 7 166.984 -8.126 9.070 1.00 0.00 O ATOM 0 H SER A 7 170.361 -9.827 8.556 1.00 0.00 H new ATOM 0 HA SER A 7 169.181 -7.327 8.091 1.00 0.00 H new ATOM 0 HB2 SER A 7 168.175 -9.722 8.548 1.00 0.00 H new ATOM 0 HB3 SER A 7 168.250 -9.256 10.235 1.00 0.00 H new ATOM 0 HG SER A 7 166.218 -8.706 9.263 1.00 0.00 H new ATOM 109 N GLY A 8 170.493 -7.716 11.092 1.00 0.00 N ATOM 110 CA GLY A 8 170.880 -6.991 12.292 1.00 0.00 C ATOM 111 C GLY A 8 171.692 -5.745 11.982 1.00 0.00 C ATOM 112 O GLY A 8 171.455 -4.686 12.566 1.00 0.00 O ATOM 0 H GLY A 8 170.834 -8.676 11.046 1.00 0.00 H new ATOM 0 HA2 GLY A 8 169.985 -6.709 12.847 1.00 0.00 H new ATOM 0 HA3 GLY A 8 171.462 -7.648 12.938 1.00 0.00 H new ATOM 116 N ILE A 9 172.641 -5.868 11.052 1.00 0.00 N ATOM 117 CA ILE A 9 173.480 -4.738 10.656 1.00 0.00 C ATOM 118 C ILE A 9 172.635 -3.647 10.000 1.00 0.00 C ATOM 119 O ILE A 9 172.757 -2.469 10.339 1.00 0.00 O ATOM 120 CB ILE A 9 174.607 -5.164 9.683 1.00 0.00 C ATOM 121 CG1 ILE A 9 175.379 -6.366 10.240 1.00 0.00 C ATOM 122 CG2 ILE A 9 175.554 -3.997 9.428 1.00 0.00 C ATOM 123 CD1 ILE A 9 176.483 -6.858 9.327 1.00 0.00 C ATOM 0 H ILE A 9 172.847 -6.738 10.560 1.00 0.00 H new ATOM 0 HA ILE A 9 173.941 -4.352 11.565 1.00 0.00 H new ATOM 0 HB ILE A 9 174.152 -5.458 8.737 1.00 0.00 H new ATOM 0 HG12 ILE A 9 175.811 -6.094 11.203 1.00 0.00 H new ATOM 0 HG13 ILE A 9 174.680 -7.182 10.423 1.00 0.00 H new ATOM 0 HG21 ILE A 9 176.341 -4.310 8.742 1.00 0.00 H new ATOM 0 HG22 ILE A 9 174.999 -3.168 8.989 1.00 0.00 H new ATOM 0 HG23 ILE A 9 175.999 -3.677 10.370 1.00 0.00 H new ATOM 0 HD11 ILE A 9 176.984 -7.709 9.788 1.00 0.00 H new ATOM 0 HD12 ILE A 9 176.056 -7.162 8.371 1.00 0.00 H new ATOM 0 HD13 ILE A 9 177.204 -6.057 9.164 1.00 0.00 H new ATOM 135 N LEU A 10 171.766 -4.050 9.070 1.00 0.00 N ATOM 136 CA LEU A 10 170.888 -3.106 8.379 1.00 0.00 C ATOM 137 C LEU A 10 169.936 -2.426 9.364 1.00 0.00 C ATOM 138 O LEU A 10 169.616 -1.246 9.212 1.00 0.00 O ATOM 139 CB LEU A 10 170.087 -3.810 7.279 1.00 0.00 C ATOM 140 CG LEU A 10 169.382 -2.875 6.290 1.00 0.00 C ATOM 141 CD1 LEU A 10 169.464 -3.431 4.876 1.00 0.00 C ATOM 142 CD2 LEU A 10 167.930 -2.657 6.700 1.00 0.00 C ATOM 0 H LEU A 10 171.652 -5.021 8.779 1.00 0.00 H new ATOM 0 HA LEU A 10 171.517 -2.344 7.919 1.00 0.00 H new ATOM 0 HB2 LEU A 10 170.759 -4.463 6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 10 169.339 -4.449 7.748 1.00 0.00 H new ATOM 0 HG LEU A 10 169.890 -1.911 6.307 1.00 0.00 H new ATOM 0 HD11 LEU A 10 168.958 -2.753 4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 10 170.509 -3.530 4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 10 168.983 -4.409 4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 10 167.446 -1.991 5.986 1.00 0.00 H new ATOM 0 HD22 LEU A 10 167.408 -3.614 6.714 1.00 0.00 H new ATOM 0 HD23 LEU A 10 167.896 -2.210 7.694 1.00 0.00 H new ATOM 154 N LYS A 11 169.488 -3.178 10.376 1.00 0.00 N ATOM 155 CA LYS A 11 168.574 -2.644 11.386 1.00 0.00 C ATOM 156 C LYS A 11 169.183 -1.435 12.101 1.00 0.00 C ATOM 157 O LYS A 11 168.458 -0.542 12.530 1.00 0.00 O ATOM 158 CB LYS A 11 168.204 -3.726 12.406 1.00 0.00 C ATOM 159 CG LYS A 11 166.953 -4.507 12.032 1.00 0.00 C ATOM 160 CD LYS A 11 166.857 -5.821 12.796 1.00 0.00 C ATOM 161 CE LYS A 11 166.405 -5.607 14.236 1.00 0.00 C ATOM 162 NZ LYS A 11 165.039 -5.014 14.318 1.00 0.00 N ATOM 0 H LYS A 11 169.744 -4.155 10.515 1.00 0.00 H new ATOM 0 HA LYS A 11 167.669 -2.318 10.873 1.00 0.00 H new ATOM 0 HB2 LYS A 11 169.039 -4.419 12.508 1.00 0.00 H new ATOM 0 HB3 LYS A 11 168.055 -3.261 13.380 1.00 0.00 H new ATOM 0 HG2 LYS A 11 166.071 -3.901 12.239 1.00 0.00 H new ATOM 0 HG3 LYS A 11 166.957 -4.709 10.961 1.00 0.00 H new ATOM 0 HD2 LYS A 11 166.156 -6.485 12.290 1.00 0.00 H new ATOM 0 HD3 LYS A 11 167.828 -6.317 12.790 1.00 0.00 H new ATOM 0 HE2 LYS A 11 166.417 -6.561 14.764 1.00 0.00 H new ATOM 0 HE3 LYS A 11 167.114 -4.953 14.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 164.625 -5.223 15.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 165.100 -3.984 14.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 164.439 -5.421 13.573 1.00 0.00 H new ATOM 176 N GLU A 12 170.515 -1.404 12.211 1.00 0.00 N ATOM 177 CA GLU A 12 171.210 -0.290 12.862 1.00 0.00 C ATOM 178 C GLU A 12 170.889 1.034 12.166 1.00 0.00 C ATOM 179 O GLU A 12 170.752 2.067 12.825 1.00 0.00 O ATOM 180 CB GLU A 12 172.724 -0.529 12.868 1.00 0.00 C ATOM 181 CG GLU A 12 173.383 -0.248 14.211 1.00 0.00 C ATOM 182 CD GLU A 12 173.616 -1.505 15.032 1.00 0.00 C ATOM 183 OE1 GLU A 12 172.658 -2.287 15.213 1.00 0.00 O ATOM 184 OE2 GLU A 12 174.757 -1.703 15.500 1.00 0.00 O ATOM 0 H GLU A 12 171.132 -2.136 11.858 1.00 0.00 H new ATOM 0 HA GLU A 12 170.860 -0.232 13.893 1.00 0.00 H new ATOM 0 HB2 GLU A 12 172.921 -1.563 12.586 1.00 0.00 H new ATOM 0 HB3 GLU A 12 173.185 0.102 12.108 1.00 0.00 H new ATOM 0 HG2 GLU A 12 174.337 0.252 14.044 1.00 0.00 H new ATOM 0 HG3 GLU A 12 172.757 0.440 14.780 1.00 0.00 H new ATOM 191 N MET A 13 170.753 0.995 10.837 1.00 0.00 N ATOM 192 CA MET A 13 170.426 2.194 10.065 1.00 0.00 C ATOM 193 C MET A 13 169.109 2.803 10.554 1.00 0.00 C ATOM 194 O MET A 13 168.968 4.020 10.611 1.00 0.00 O ATOM 195 CB MET A 13 170.329 1.866 8.572 1.00 0.00 C ATOM 196 CG MET A 13 171.674 1.843 7.862 1.00 0.00 C ATOM 197 SD MET A 13 172.471 0.227 7.931 1.00 0.00 S ATOM 198 CE MET A 13 173.884 0.587 8.971 1.00 0.00 C ATOM 0 H MET A 13 170.864 0.150 10.277 1.00 0.00 H new ATOM 0 HA MET A 13 171.225 2.920 10.211 1.00 0.00 H new ATOM 0 HB2 MET A 13 169.849 0.895 8.453 1.00 0.00 H new ATOM 0 HB3 MET A 13 169.686 2.601 8.089 1.00 0.00 H new ATOM 0 HG2 MET A 13 171.535 2.131 6.820 1.00 0.00 H new ATOM 0 HG3 MET A 13 172.331 2.587 8.313 1.00 0.00 H new ATOM 0 HE1 MET A 13 174.476 -0.318 9.106 1.00 0.00 H new ATOM 0 HE2 MET A 13 174.497 1.355 8.499 1.00 0.00 H new ATOM 0 HE3 MET A 13 173.540 0.944 9.942 1.00 0.00 H new ATOM 208 N PHE A 14 168.148 1.948 10.918 1.00 0.00 N ATOM 209 CA PHE A 14 166.852 2.416 11.414 1.00 0.00 C ATOM 210 C PHE A 14 166.710 2.199 12.930 1.00 0.00 C ATOM 211 O PHE A 14 165.629 2.396 13.488 1.00 0.00 O ATOM 212 CB PHE A 14 165.711 1.709 10.677 1.00 0.00 C ATOM 213 CG PHE A 14 164.732 2.657 10.043 1.00 0.00 C ATOM 214 CD1 PHE A 14 163.638 3.125 10.755 1.00 0.00 C ATOM 215 CD2 PHE A 14 164.906 3.080 8.735 1.00 0.00 C ATOM 216 CE1 PHE A 14 162.737 3.996 10.172 1.00 0.00 C ATOM 217 CE2 PHE A 14 164.009 3.951 8.148 1.00 0.00 C ATOM 218 CZ PHE A 14 162.922 4.410 8.867 1.00 0.00 C ATOM 0 H PHE A 14 168.243 0.933 10.879 1.00 0.00 H new ATOM 0 HA PHE A 14 166.797 3.487 11.222 1.00 0.00 H new ATOM 0 HB2 PHE A 14 166.131 1.063 9.906 1.00 0.00 H new ATOM 0 HB3 PHE A 14 165.180 1.065 11.378 1.00 0.00 H new ATOM 0 HD1 PHE A 14 163.488 2.806 11.776 1.00 0.00 H new ATOM 0 HD2 PHE A 14 165.753 2.724 8.168 1.00 0.00 H new ATOM 0 HE1 PHE A 14 161.888 4.353 10.737 1.00 0.00 H new ATOM 0 HE2 PHE A 14 164.157 4.273 7.128 1.00 0.00 H new ATOM 0 HZ PHE A 14 162.219 5.091 8.410 1.00 0.00 H new ATOM 228 N ALA A 15 167.803 1.804 13.596 1.00 0.00 N ATOM 229 CA ALA A 15 167.786 1.576 15.042 1.00 0.00 C ATOM 230 C ALA A 15 168.240 2.819 15.816 1.00 0.00 C ATOM 231 O ALA A 15 168.559 2.736 17.005 1.00 0.00 O ATOM 232 CB ALA A 15 168.668 0.385 15.399 1.00 0.00 C ATOM 0 H ALA A 15 168.707 1.637 13.155 1.00 0.00 H new ATOM 0 HA ALA A 15 166.757 1.361 15.331 1.00 0.00 H new ATOM 0 HB1 ALA A 15 168.646 0.226 16.477 1.00 0.00 H new ATOM 0 HB2 ALA A 15 168.297 -0.507 14.894 1.00 0.00 H new ATOM 0 HB3 ALA A 15 169.692 0.583 15.082 1.00 0.00 H new ATOM 238 N LYS A 16 168.273 3.968 15.131 1.00 0.00 N ATOM 239 CA LYS A 16 168.690 5.235 15.738 1.00 0.00 C ATOM 240 C LYS A 16 170.202 5.253 16.000 1.00 0.00 C ATOM 241 O LYS A 16 170.673 5.918 16.925 1.00 0.00 O ATOM 242 CB LYS A 16 167.917 5.490 17.041 1.00 0.00 C ATOM 243 CG LYS A 16 167.285 6.872 17.122 1.00 0.00 C ATOM 244 CD LYS A 16 167.574 7.541 18.457 1.00 0.00 C ATOM 245 CE LYS A 16 166.966 8.934 18.529 1.00 0.00 C ATOM 246 NZ LYS A 16 167.912 9.933 19.104 1.00 0.00 N ATOM 0 H LYS A 16 168.013 4.045 14.148 1.00 0.00 H new ATOM 0 HA LYS A 16 168.460 6.035 15.034 1.00 0.00 H new ATOM 0 HB2 LYS A 16 167.135 4.737 17.142 1.00 0.00 H new ATOM 0 HB3 LYS A 16 168.594 5.361 17.885 1.00 0.00 H new ATOM 0 HG2 LYS A 16 167.665 7.495 16.312 1.00 0.00 H new ATOM 0 HG3 LYS A 16 166.207 6.789 16.981 1.00 0.00 H new ATOM 0 HD2 LYS A 16 167.176 6.928 19.266 1.00 0.00 H new ATOM 0 HD3 LYS A 16 168.652 7.606 18.606 1.00 0.00 H new ATOM 0 HE2 LYS A 16 166.669 9.251 17.529 1.00 0.00 H new ATOM 0 HE3 LYS A 16 166.061 8.902 19.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 167.455 10.867 19.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 168.176 9.646 20.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 168.765 9.984 18.512 1.00 0.00 H new ATOM 260 N LYS A 17 170.954 4.519 15.177 1.00 0.00 N ATOM 261 CA LYS A 17 172.411 4.448 15.315 1.00 0.00 C ATOM 262 C LYS A 17 173.124 4.861 14.024 1.00 0.00 C ATOM 263 O LYS A 17 174.228 5.409 14.070 1.00 0.00 O ATOM 264 CB LYS A 17 172.838 3.032 15.711 1.00 0.00 C ATOM 265 CG LYS A 17 172.256 2.565 17.038 1.00 0.00 C ATOM 266 CD LYS A 17 172.069 1.057 17.064 1.00 0.00 C ATOM 267 CE LYS A 17 171.451 0.592 18.374 1.00 0.00 C ATOM 268 NZ LYS A 17 172.436 -0.125 19.233 1.00 0.00 N ATOM 0 H LYS A 17 170.578 3.965 14.407 1.00 0.00 H new ATOM 0 HA LYS A 17 172.700 5.149 16.099 1.00 0.00 H new ATOM 0 HB2 LYS A 17 172.534 2.338 14.927 1.00 0.00 H new ATOM 0 HB3 LYS A 17 173.926 2.993 15.768 1.00 0.00 H new ATOM 0 HG2 LYS A 17 172.916 2.865 17.852 1.00 0.00 H new ATOM 0 HG3 LYS A 17 171.297 3.055 17.208 1.00 0.00 H new ATOM 0 HD2 LYS A 17 171.432 0.754 16.233 1.00 0.00 H new ATOM 0 HD3 LYS A 17 173.033 0.568 16.922 1.00 0.00 H new ATOM 0 HE2 LYS A 17 171.057 1.453 18.915 1.00 0.00 H new ATOM 0 HE3 LYS A 17 170.607 -0.065 18.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 171.974 -0.425 20.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 172.793 -0.961 18.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 173.229 0.510 19.456 1.00 0.00 H new ATOM 282 N HIS A 18 172.494 4.600 12.875 1.00 0.00 N ATOM 283 CA HIS A 18 173.074 4.949 11.584 1.00 0.00 C ATOM 284 C HIS A 18 172.007 5.472 10.620 1.00 0.00 C ATOM 285 O HIS A 18 172.138 5.340 9.402 1.00 0.00 O ATOM 286 CB HIS A 18 173.787 3.736 10.979 1.00 0.00 C ATOM 287 CG HIS A 18 175.191 4.028 10.558 1.00 0.00 C ATOM 288 ND1 HIS A 18 176.170 4.433 11.440 1.00 0.00 N ATOM 289 CD2 HIS A 18 175.776 3.985 9.340 1.00 0.00 C ATOM 290 CE1 HIS A 18 177.299 4.625 10.782 1.00 0.00 C ATOM 291 NE2 HIS A 18 177.088 4.360 9.506 1.00 0.00 N ATOM 0 H HIS A 18 171.582 4.148 12.817 1.00 0.00 H new ATOM 0 HA HIS A 18 173.801 5.745 11.745 1.00 0.00 H new ATOM 0 HB2 HIS A 18 173.794 2.926 11.708 1.00 0.00 H new ATOM 0 HB3 HIS A 18 173.222 3.383 10.116 1.00 0.00 H new ATOM 0 HD1 HIS A 18 176.042 4.564 12.443 1.00 0.00 H new ATOM 0 HD2 HIS A 18 175.301 3.708 8.410 1.00 0.00 H new ATOM 0 HE1 HIS A 18 178.236 4.945 11.214 1.00 0.00 H new ATOM 300 N ALA A 19 170.955 6.078 11.174 1.00 0.00 N ATOM 301 CA ALA A 19 169.873 6.630 10.363 1.00 0.00 C ATOM 302 C ALA A 19 170.317 7.912 9.670 1.00 0.00 C ATOM 303 O ALA A 19 169.959 8.162 8.522 1.00 0.00 O ATOM 304 CB ALA A 19 168.642 6.892 11.223 1.00 0.00 C ATOM 0 H ALA A 19 170.831 6.198 12.179 1.00 0.00 H new ATOM 0 HA ALA A 19 169.614 5.898 9.598 1.00 0.00 H new ATOM 0 HB1 ALA A 19 167.846 7.303 10.603 1.00 0.00 H new ATOM 0 HB2 ALA A 19 168.306 5.957 11.672 1.00 0.00 H new ATOM 0 HB3 ALA A 19 168.893 7.603 12.010 1.00 0.00 H new ATOM 310 N ALA A 20 171.106 8.713 10.381 1.00 0.00 N ATOM 311 CA ALA A 20 171.609 9.976 9.842 1.00 0.00 C ATOM 312 C ALA A 20 172.709 9.747 8.806 1.00 0.00 C ATOM 313 O ALA A 20 172.797 10.477 7.817 1.00 0.00 O ATOM 314 CB ALA A 20 172.116 10.872 10.965 1.00 0.00 C ATOM 0 H ALA A 20 171.412 8.511 11.333 1.00 0.00 H new ATOM 0 HA ALA A 20 170.779 10.474 9.341 1.00 0.00 H new ATOM 0 HB1 ALA A 20 172.486 11.807 10.545 1.00 0.00 H new ATOM 0 HB2 ALA A 20 171.302 11.083 11.658 1.00 0.00 H new ATOM 0 HB3 ALA A 20 172.923 10.368 11.496 1.00 0.00 H new ATOM 320 N TYR A 21 173.545 8.734 9.035 1.00 0.00 N ATOM 321 CA TYR A 21 174.637 8.421 8.115 1.00 0.00 C ATOM 322 C TYR A 21 174.122 7.768 6.833 1.00 0.00 C ATOM 323 O TYR A 21 174.671 7.994 5.754 1.00 0.00 O ATOM 324 CB TYR A 21 175.665 7.515 8.795 1.00 0.00 C ATOM 325 CG TYR A 21 176.686 8.282 9.602 1.00 0.00 C ATOM 326 CD1 TYR A 21 176.426 8.648 10.917 1.00 0.00 C ATOM 327 CD2 TYR A 21 177.902 8.655 9.045 1.00 0.00 C ATOM 328 CE1 TYR A 21 177.350 9.361 11.654 1.00 0.00 C ATOM 329 CE2 TYR A 21 178.831 9.370 9.775 1.00 0.00 C ATOM 330 CZ TYR A 21 178.551 9.721 11.079 1.00 0.00 C ATOM 331 OH TYR A 21 179.476 10.436 11.809 1.00 0.00 O ATOM 0 H TYR A 21 173.487 8.119 9.846 1.00 0.00 H new ATOM 0 HA TYR A 21 175.117 9.360 7.841 1.00 0.00 H new ATOM 0 HB2 TYR A 21 175.147 6.813 9.448 1.00 0.00 H new ATOM 0 HB3 TYR A 21 176.179 6.925 8.036 1.00 0.00 H new ATOM 0 HD1 TYR A 21 175.486 8.370 11.370 1.00 0.00 H new ATOM 0 HD2 TYR A 21 178.125 8.382 8.024 1.00 0.00 H new ATOM 0 HE1 TYR A 21 177.134 9.636 12.676 1.00 0.00 H new ATOM 0 HE2 TYR A 21 179.772 9.653 9.327 1.00 0.00 H new ATOM 0 HH TYR A 21 179.389 10.210 12.759 1.00 0.00 H new ATOM 341 N ALA A 22 173.065 6.963 6.953 1.00 0.00 N ATOM 342 CA ALA A 22 172.484 6.287 5.792 1.00 0.00 C ATOM 343 C ALA A 22 171.220 6.994 5.284 1.00 0.00 C ATOM 344 O ALA A 22 170.467 6.426 4.492 1.00 0.00 O ATOM 345 CB ALA A 22 172.177 4.832 6.127 1.00 0.00 C ATOM 0 H ALA A 22 172.596 6.764 7.837 1.00 0.00 H new ATOM 0 HA ALA A 22 173.222 6.325 4.991 1.00 0.00 H new ATOM 0 HB1 ALA A 22 171.745 4.341 5.255 1.00 0.00 H new ATOM 0 HB2 ALA A 22 173.097 4.322 6.412 1.00 0.00 H new ATOM 0 HB3 ALA A 22 171.468 4.791 6.954 1.00 0.00 H new ATOM 351 N TRP A 23 170.989 8.232 5.732 1.00 0.00 N ATOM 352 CA TRP A 23 169.813 8.993 5.307 1.00 0.00 C ATOM 353 C TRP A 23 169.961 9.502 3.868 1.00 0.00 C ATOM 354 O TRP A 23 169.081 9.275 3.037 1.00 0.00 O ATOM 355 CB TRP A 23 169.553 10.171 6.255 1.00 0.00 C ATOM 356 CG TRP A 23 168.236 10.089 6.973 1.00 0.00 C ATOM 357 CD1 TRP A 23 167.991 10.447 8.268 1.00 0.00 C ATOM 358 CD2 TRP A 23 166.985 9.623 6.444 1.00 0.00 C ATOM 359 NE1 TRP A 23 166.670 10.233 8.576 1.00 0.00 N ATOM 360 CE2 TRP A 23 166.032 9.728 7.475 1.00 0.00 C ATOM 361 CE3 TRP A 23 166.578 9.126 5.201 1.00 0.00 C ATOM 362 CZ2 TRP A 23 164.701 9.358 7.300 1.00 0.00 C ATOM 363 CZ3 TRP A 23 165.256 8.760 5.029 1.00 0.00 C ATOM 364 CH2 TRP A 23 164.332 8.877 6.075 1.00 0.00 C ATOM 0 H TRP A 23 171.598 8.725 6.385 1.00 0.00 H new ATOM 0 HA TRP A 23 168.960 8.316 5.342 1.00 0.00 H new ATOM 0 HB2 TRP A 23 170.356 10.218 6.991 1.00 0.00 H new ATOM 0 HB3 TRP A 23 169.589 11.099 5.685 1.00 0.00 H new ATOM 0 HD1 TRP A 23 168.729 10.841 8.951 1.00 0.00 H new ATOM 0 HE1 TRP A 23 166.234 10.420 9.479 1.00 0.00 H new ATOM 0 HE3 TRP A 23 167.285 9.030 4.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 163.985 9.448 8.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 164.931 8.378 4.073 1.00 0.00 H new ATOM 0 HH2 TRP A 23 163.307 8.581 5.910 1.00 0.00 H new ATOM 375 N PRO A 24 171.072 10.206 3.549 1.00 0.00 N ATOM 376 CA PRO A 24 171.309 10.747 2.199 1.00 0.00 C ATOM 377 C PRO A 24 171.457 9.665 1.122 1.00 0.00 C ATOM 378 O PRO A 24 171.438 9.973 -0.071 1.00 0.00 O ATOM 379 CB PRO A 24 172.620 11.535 2.339 1.00 0.00 C ATOM 380 CG PRO A 24 172.816 11.726 3.804 1.00 0.00 C ATOM 381 CD PRO A 24 172.176 10.541 4.466 1.00 0.00 C ATOM 0 HA PRO A 24 170.461 11.348 1.871 1.00 0.00 H new ATOM 0 HB2 PRO A 24 173.455 10.989 1.899 1.00 0.00 H new ATOM 0 HB3 PRO A 24 172.559 12.493 1.823 1.00 0.00 H new ATOM 0 HG2 PRO A 24 173.876 11.785 4.051 1.00 0.00 H new ATOM 0 HG3 PRO A 24 172.357 12.656 4.141 1.00 0.00 H new ATOM 0 HD2 PRO A 24 172.876 9.713 4.575 1.00 0.00 H new ATOM 0 HD3 PRO A 24 171.812 10.784 5.464 1.00 0.00 H new ATOM 389 N PHE A 25 171.606 8.403 1.539 1.00 0.00 N ATOM 390 CA PHE A 25 171.758 7.298 0.595 1.00 0.00 C ATOM 391 C PHE A 25 171.012 6.050 1.078 1.00 0.00 C ATOM 392 O PHE A 25 171.583 4.958 1.151 1.00 0.00 O ATOM 393 CB PHE A 25 173.244 6.989 0.383 1.00 0.00 C ATOM 394 CG PHE A 25 173.595 6.688 -1.047 1.00 0.00 C ATOM 395 CD1 PHE A 25 173.936 7.708 -1.921 1.00 0.00 C ATOM 396 CD2 PHE A 25 173.581 5.385 -1.517 1.00 0.00 C ATOM 397 CE1 PHE A 25 174.257 7.434 -3.237 1.00 0.00 C ATOM 398 CE2 PHE A 25 173.901 5.104 -2.832 1.00 0.00 C ATOM 399 CZ PHE A 25 174.239 6.130 -3.693 1.00 0.00 C ATOM 0 H PHE A 25 171.624 8.125 2.520 1.00 0.00 H new ATOM 0 HA PHE A 25 171.320 7.599 -0.357 1.00 0.00 H new ATOM 0 HB2 PHE A 25 173.836 7.839 0.723 1.00 0.00 H new ATOM 0 HB3 PHE A 25 173.522 6.138 1.004 1.00 0.00 H new ATOM 0 HD1 PHE A 25 173.951 8.729 -1.570 1.00 0.00 H new ATOM 0 HD2 PHE A 25 173.317 4.579 -0.848 1.00 0.00 H new ATOM 0 HE1 PHE A 25 174.521 8.238 -3.908 1.00 0.00 H new ATOM 0 HE2 PHE A 25 173.887 4.084 -3.186 1.00 0.00 H new ATOM 0 HZ PHE A 25 174.489 5.913 -4.721 1.00 0.00 H new ATOM 409 N TYR A 26 169.728 6.218 1.397 1.00 0.00 N ATOM 410 CA TYR A 26 168.897 5.108 1.860 1.00 0.00 C ATOM 411 C TYR A 26 168.045 4.554 0.716 1.00 0.00 C ATOM 412 O TYR A 26 167.950 3.338 0.535 1.00 0.00 O ATOM 413 CB TYR A 26 167.991 5.555 3.016 1.00 0.00 C ATOM 414 CG TYR A 26 167.767 4.485 4.066 1.00 0.00 C ATOM 415 CD1 TYR A 26 167.283 3.231 3.715 1.00 0.00 C ATOM 416 CD2 TYR A 26 168.041 4.730 5.407 1.00 0.00 C ATOM 417 CE1 TYR A 26 167.079 2.252 4.668 1.00 0.00 C ATOM 418 CE2 TYR A 26 167.840 3.755 6.366 1.00 0.00 C ATOM 419 CZ TYR A 26 167.359 2.518 5.992 1.00 0.00 C ATOM 420 OH TYR A 26 167.157 1.545 6.946 1.00 0.00 O ATOM 0 H TYR A 26 169.242 7.113 1.343 1.00 0.00 H new ATOM 0 HA TYR A 26 169.560 4.319 2.217 1.00 0.00 H new ATOM 0 HB2 TYR A 26 168.431 6.432 3.492 1.00 0.00 H new ATOM 0 HB3 TYR A 26 167.026 5.862 2.612 1.00 0.00 H new ATOM 0 HD1 TYR A 26 167.062 3.018 2.679 1.00 0.00 H new ATOM 0 HD2 TYR A 26 168.417 5.698 5.704 1.00 0.00 H new ATOM 0 HE1 TYR A 26 166.702 1.283 4.378 1.00 0.00 H new ATOM 0 HE2 TYR A 26 168.059 3.961 7.403 1.00 0.00 H new ATOM 0 HH TYR A 26 167.492 1.860 7.811 1.00 0.00 H new ATOM 430 N LYS A 27 167.428 5.457 -0.050 1.00 0.00 N ATOM 431 CA LYS A 27 166.580 5.067 -1.178 1.00 0.00 C ATOM 432 C LYS A 27 167.316 5.237 -2.509 1.00 0.00 C ATOM 433 O LYS A 27 168.309 5.960 -2.587 1.00 0.00 O ATOM 434 CB LYS A 27 165.292 5.899 -1.188 1.00 0.00 C ATOM 435 CG LYS A 27 164.050 5.108 -0.806 1.00 0.00 C ATOM 436 CD LYS A 27 162.930 6.023 -0.330 1.00 0.00 C ATOM 437 CE LYS A 27 161.873 6.228 -1.408 1.00 0.00 C ATOM 438 NZ LYS A 27 162.112 7.466 -2.207 1.00 0.00 N ATOM 0 H LYS A 27 167.500 6.465 0.091 1.00 0.00 H new ATOM 0 HA LYS A 27 166.328 4.013 -1.057 1.00 0.00 H new ATOM 0 HB2 LYS A 27 165.405 6.736 -0.499 1.00 0.00 H new ATOM 0 HB3 LYS A 27 165.151 6.322 -2.183 1.00 0.00 H new ATOM 0 HG2 LYS A 27 163.708 4.529 -1.664 1.00 0.00 H new ATOM 0 HG3 LYS A 27 164.299 4.396 -0.019 1.00 0.00 H new ATOM 0 HD2 LYS A 27 162.465 5.597 0.559 1.00 0.00 H new ATOM 0 HD3 LYS A 27 163.347 6.988 -0.041 1.00 0.00 H new ATOM 0 HE2 LYS A 27 161.864 5.365 -2.074 1.00 0.00 H new ATOM 0 HE3 LYS A 27 160.889 6.283 -0.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 161.368 7.563 -2.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 162.095 8.294 -1.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 163.040 7.405 -2.673 1.00 0.00 H new ATOM 452 N PRO A 28 166.831 4.563 -3.576 1.00 0.00 N ATOM 453 CA PRO A 28 167.437 4.629 -4.918 1.00 0.00 C ATOM 454 C PRO A 28 167.512 6.052 -5.475 1.00 0.00 C ATOM 455 O PRO A 28 167.036 7.004 -4.852 1.00 0.00 O ATOM 456 CB PRO A 28 166.499 3.779 -5.783 1.00 0.00 C ATOM 457 CG PRO A 28 165.794 2.886 -4.825 1.00 0.00 C ATOM 458 CD PRO A 28 165.652 3.675 -3.555 1.00 0.00 C ATOM 0 HA PRO A 28 168.469 4.278 -4.899 1.00 0.00 H new ATOM 0 HB2 PRO A 28 165.794 4.404 -6.332 1.00 0.00 H new ATOM 0 HB3 PRO A 28 167.057 3.203 -6.522 1.00 0.00 H new ATOM 0 HG2 PRO A 28 164.819 2.590 -5.212 1.00 0.00 H new ATOM 0 HG3 PRO A 28 166.361 1.971 -4.655 1.00 0.00 H new ATOM 0 HD2 PRO A 28 164.721 4.242 -3.535 1.00 0.00 H new ATOM 0 HD3 PRO A 28 165.650 3.029 -2.677 1.00 0.00 H new ATOM 466 N VAL A 29 168.106 6.183 -6.660 1.00 0.00 N ATOM 467 CA VAL A 29 168.243 7.482 -7.311 1.00 0.00 C ATOM 468 C VAL A 29 167.082 7.742 -8.274 1.00 0.00 C ATOM 469 O VAL A 29 167.191 7.503 -9.480 1.00 0.00 O ATOM 470 CB VAL A 29 169.591 7.608 -8.065 1.00 0.00 C ATOM 471 CG1 VAL A 29 170.738 7.773 -7.077 1.00 0.00 C ATOM 472 CG2 VAL A 29 169.833 6.406 -8.973 1.00 0.00 C ATOM 0 H VAL A 29 168.500 5.404 -7.188 1.00 0.00 H new ATOM 0 HA VAL A 29 168.222 8.234 -6.523 1.00 0.00 H new ATOM 0 HB VAL A 29 169.542 8.496 -8.695 1.00 0.00 H new ATOM 0 HG11 VAL A 29 171.678 7.860 -7.622 1.00 0.00 H new ATOM 0 HG12 VAL A 29 170.579 8.672 -6.482 1.00 0.00 H new ATOM 0 HG13 VAL A 29 170.779 6.905 -6.419 1.00 0.00 H new ATOM 0 HG21 VAL A 29 170.786 6.525 -9.488 1.00 0.00 H new ATOM 0 HG22 VAL A 29 169.855 5.496 -8.374 1.00 0.00 H new ATOM 0 HG23 VAL A 29 169.030 6.337 -9.707 1.00 0.00 H new ATOM 482 N ASP A 30 165.967 8.236 -7.727 1.00 0.00 N ATOM 483 CA ASP A 30 164.776 8.538 -8.523 1.00 0.00 C ATOM 484 C ASP A 30 165.090 9.602 -9.575 1.00 0.00 C ATOM 485 O ASP A 30 165.019 10.799 -9.299 1.00 0.00 O ATOM 486 CB ASP A 30 163.634 9.022 -7.618 1.00 0.00 C ATOM 487 CG ASP A 30 162.919 7.884 -6.913 1.00 0.00 C ATOM 488 OD1 ASP A 30 162.375 7.000 -7.608 1.00 0.00 O ATOM 489 OD2 ASP A 30 162.897 7.881 -5.663 1.00 0.00 O ATOM 0 H ASP A 30 165.866 8.435 -6.732 1.00 0.00 H new ATOM 0 HA ASP A 30 164.464 7.624 -9.028 1.00 0.00 H new ATOM 0 HB2 ASP A 30 164.034 9.711 -6.873 1.00 0.00 H new ATOM 0 HB3 ASP A 30 162.915 9.582 -8.216 1.00 0.00 H new ATOM 494 N VAL A 31 165.451 9.157 -10.778 1.00 0.00 N ATOM 495 CA VAL A 31 165.790 10.073 -11.865 1.00 0.00 C ATOM 496 C VAL A 31 164.609 10.978 -12.237 1.00 0.00 C ATOM 497 O VAL A 31 164.797 12.160 -12.517 1.00 0.00 O ATOM 498 CB VAL A 31 166.288 9.309 -13.116 1.00 0.00 C ATOM 499 CG1 VAL A 31 165.200 8.412 -13.692 1.00 0.00 C ATOM 500 CG2 VAL A 31 166.803 10.279 -14.171 1.00 0.00 C ATOM 0 H VAL A 31 165.516 8.169 -11.024 1.00 0.00 H new ATOM 0 HA VAL A 31 166.600 10.704 -11.500 1.00 0.00 H new ATOM 0 HB VAL A 31 167.113 8.668 -12.805 1.00 0.00 H new ATOM 0 HG11 VAL A 31 165.584 7.891 -14.569 1.00 0.00 H new ATOM 0 HG12 VAL A 31 164.895 7.683 -12.942 1.00 0.00 H new ATOM 0 HG13 VAL A 31 164.341 9.019 -13.978 1.00 0.00 H new ATOM 0 HG21 VAL A 31 167.148 9.721 -15.041 1.00 0.00 H new ATOM 0 HG22 VAL A 31 166.000 10.954 -14.468 1.00 0.00 H new ATOM 0 HG23 VAL A 31 167.630 10.858 -13.760 1.00 0.00 H new ATOM 510 N GLU A 32 163.398 10.419 -12.237 1.00 0.00 N ATOM 511 CA GLU A 32 162.194 11.184 -12.569 1.00 0.00 C ATOM 512 C GLU A 32 161.821 12.161 -11.450 1.00 0.00 C ATOM 513 O GLU A 32 161.520 13.327 -11.710 1.00 0.00 O ATOM 514 CB GLU A 32 161.024 10.239 -12.858 1.00 0.00 C ATOM 515 CG GLU A 32 161.229 9.390 -14.106 1.00 0.00 C ATOM 516 CD GLU A 32 160.413 8.107 -14.104 1.00 0.00 C ATOM 517 OE1 GLU A 32 159.336 8.077 -13.470 1.00 0.00 O ATOM 518 OE2 GLU A 32 160.853 7.130 -14.745 1.00 0.00 O ATOM 0 H GLU A 32 163.224 9.440 -12.011 1.00 0.00 H new ATOM 0 HA GLU A 32 162.410 11.768 -13.464 1.00 0.00 H new ATOM 0 HB2 GLU A 32 160.876 9.582 -12.001 1.00 0.00 H new ATOM 0 HB3 GLU A 32 160.112 10.825 -12.972 1.00 0.00 H new ATOM 0 HG2 GLU A 32 160.965 9.979 -14.984 1.00 0.00 H new ATOM 0 HG3 GLU A 32 162.286 9.140 -14.197 1.00 0.00 H new ATOM 525 N ALA A 33 161.831 11.674 -10.205 1.00 0.00 N ATOM 526 CA ALA A 33 161.479 12.500 -9.047 1.00 0.00 C ATOM 527 C ALA A 33 162.562 13.531 -8.726 1.00 0.00 C ATOM 528 O ALA A 33 162.264 14.710 -8.530 1.00 0.00 O ATOM 529 CB ALA A 33 161.212 11.623 -7.829 1.00 0.00 C ATOM 0 H ALA A 33 162.079 10.712 -9.974 1.00 0.00 H new ATOM 0 HA ALA A 33 160.571 13.046 -9.304 1.00 0.00 H new ATOM 0 HB1 ALA A 33 160.952 12.252 -6.978 1.00 0.00 H new ATOM 0 HB2 ALA A 33 160.387 10.944 -8.044 1.00 0.00 H new ATOM 0 HB3 ALA A 33 162.106 11.045 -7.594 1.00 0.00 H new ATOM 535 N LEU A 34 163.816 13.082 -8.660 1.00 0.00 N ATOM 536 CA LEU A 34 164.937 13.970 -8.347 1.00 0.00 C ATOM 537 C LEU A 34 165.403 14.762 -9.573 1.00 0.00 C ATOM 538 O LEU A 34 166.044 15.805 -9.430 1.00 0.00 O ATOM 539 CB LEU A 34 166.114 13.166 -7.785 1.00 0.00 C ATOM 540 CG LEU A 34 165.803 12.326 -6.542 1.00 0.00 C ATOM 541 CD1 LEU A 34 166.827 11.211 -6.382 1.00 0.00 C ATOM 542 CD2 LEU A 34 165.767 13.206 -5.300 1.00 0.00 C ATOM 0 H LEU A 34 164.081 12.110 -8.819 1.00 0.00 H new ATOM 0 HA LEU A 34 164.583 14.680 -7.599 1.00 0.00 H new ATOM 0 HB2 LEU A 34 166.485 12.503 -8.567 1.00 0.00 H new ATOM 0 HB3 LEU A 34 166.921 13.857 -7.543 1.00 0.00 H new ATOM 0 HG LEU A 34 164.820 11.872 -6.668 1.00 0.00 H new ATOM 0 HD11 LEU A 34 166.591 10.625 -5.494 1.00 0.00 H new ATOM 0 HD12 LEU A 34 166.803 10.566 -7.260 1.00 0.00 H new ATOM 0 HD13 LEU A 34 167.822 11.643 -6.277 1.00 0.00 H new ATOM 0 HD21 LEU A 34 165.545 12.593 -4.426 1.00 0.00 H new ATOM 0 HD22 LEU A 34 166.735 13.689 -5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 34 164.995 13.967 -5.415 1.00 0.00 H new ATOM 554 N GLY A 35 165.088 14.268 -10.773 1.00 0.00 N ATOM 555 CA GLY A 35 165.496 14.951 -11.991 1.00 0.00 C ATOM 556 C GLY A 35 166.993 14.871 -12.226 1.00 0.00 C ATOM 557 O GLY A 35 167.664 15.899 -12.325 1.00 0.00 O ATOM 0 H GLY A 35 164.559 13.409 -10.921 1.00 0.00 H new ATOM 0 HA2 GLY A 35 164.974 14.514 -12.842 1.00 0.00 H new ATOM 0 HA3 GLY A 35 165.195 15.997 -11.936 1.00 0.00 H new ATOM 561 N LEU A 36 167.519 13.647 -12.312 1.00 0.00 N ATOM 562 CA LEU A 36 168.952 13.439 -12.532 1.00 0.00 C ATOM 563 C LEU A 36 169.206 12.482 -13.701 1.00 0.00 C ATOM 564 O LEU A 36 169.827 11.430 -13.536 1.00 0.00 O ATOM 565 CB LEU A 36 169.630 12.917 -11.253 1.00 0.00 C ATOM 566 CG LEU A 36 168.801 11.947 -10.399 1.00 0.00 C ATOM 567 CD1 LEU A 36 169.032 10.508 -10.835 1.00 0.00 C ATOM 568 CD2 LEU A 36 169.143 12.117 -8.925 1.00 0.00 C ATOM 0 H LEU A 36 166.976 12.787 -12.233 1.00 0.00 H new ATOM 0 HA LEU A 36 169.389 14.404 -12.788 1.00 0.00 H new ATOM 0 HB2 LEU A 36 170.558 12.419 -11.535 1.00 0.00 H new ATOM 0 HB3 LEU A 36 169.902 13.773 -10.635 1.00 0.00 H new ATOM 0 HG LEU A 36 167.746 12.180 -10.543 1.00 0.00 H new ATOM 0 HD11 LEU A 36 168.434 9.840 -10.215 1.00 0.00 H new ATOM 0 HD12 LEU A 36 168.740 10.393 -11.879 1.00 0.00 H new ATOM 0 HD13 LEU A 36 170.087 10.259 -10.723 1.00 0.00 H new ATOM 0 HD21 LEU A 36 168.548 11.423 -8.331 1.00 0.00 H new ATOM 0 HD22 LEU A 36 170.202 11.911 -8.771 1.00 0.00 H new ATOM 0 HD23 LEU A 36 168.924 13.139 -8.616 1.00 0.00 H new ATOM 580 N HIS A 37 168.731 12.863 -14.890 1.00 0.00 N ATOM 581 CA HIS A 37 168.915 12.043 -16.092 1.00 0.00 C ATOM 582 C HIS A 37 170.402 11.866 -16.431 1.00 0.00 C ATOM 583 O HIS A 37 170.772 10.921 -17.131 1.00 0.00 O ATOM 584 CB HIS A 37 168.163 12.643 -17.293 1.00 0.00 C ATOM 585 CG HIS A 37 168.494 14.078 -17.581 1.00 0.00 C ATOM 586 ND1 HIS A 37 167.912 15.138 -16.917 1.00 0.00 N ATOM 587 CD2 HIS A 37 169.353 14.624 -18.472 1.00 0.00 C ATOM 588 CE1 HIS A 37 168.401 16.271 -17.386 1.00 0.00 C ATOM 589 NE2 HIS A 37 169.281 15.989 -18.330 1.00 0.00 N ATOM 0 H HIS A 37 168.218 13.731 -15.047 1.00 0.00 H new ATOM 0 HA HIS A 37 168.497 11.059 -15.878 1.00 0.00 H new ATOM 0 HB2 HIS A 37 168.385 12.047 -18.179 1.00 0.00 H new ATOM 0 HB3 HIS A 37 167.091 12.560 -17.113 1.00 0.00 H new ATOM 0 HD2 HIS A 37 169.980 14.086 -19.167 1.00 0.00 H new ATOM 0 HE1 HIS A 37 168.128 17.262 -17.054 1.00 0.00 H new ATOM 0 HE2 HIS A 37 169.818 16.671 -18.865 1.00 0.00 H new ATOM 598 N ASP A 38 171.253 12.768 -15.922 1.00 0.00 N ATOM 599 CA ASP A 38 172.694 12.693 -16.168 1.00 0.00 C ATOM 600 C ASP A 38 173.348 11.600 -15.314 1.00 0.00 C ATOM 601 O ASP A 38 174.440 11.131 -15.634 1.00 0.00 O ATOM 602 CB ASP A 38 173.361 14.043 -15.866 1.00 0.00 C ATOM 603 CG ASP A 38 173.289 15.023 -17.026 1.00 0.00 C ATOM 604 OD1 ASP A 38 172.262 15.040 -17.736 1.00 0.00 O ATOM 605 OD2 ASP A 38 174.260 15.781 -17.219 1.00 0.00 O ATOM 0 H ASP A 38 170.966 13.555 -15.339 1.00 0.00 H new ATOM 0 HA ASP A 38 172.835 12.445 -17.220 1.00 0.00 H new ATOM 0 HB2 ASP A 38 172.884 14.489 -14.993 1.00 0.00 H new ATOM 0 HB3 ASP A 38 174.406 13.874 -15.607 1.00 0.00 H new ATOM 610 N TYR A 39 172.673 11.196 -14.231 1.00 0.00 N ATOM 611 CA TYR A 39 173.191 10.157 -13.340 1.00 0.00 C ATOM 612 C TYR A 39 173.476 8.863 -14.104 1.00 0.00 C ATOM 613 O TYR A 39 174.503 8.223 -13.886 1.00 0.00 O ATOM 614 CB TYR A 39 172.201 9.887 -12.206 1.00 0.00 C ATOM 615 CG TYR A 39 172.847 9.323 -10.960 1.00 0.00 C ATOM 616 CD1 TYR A 39 173.455 10.159 -10.032 1.00 0.00 C ATOM 617 CD2 TYR A 39 172.850 7.957 -10.714 1.00 0.00 C ATOM 618 CE1 TYR A 39 174.048 9.648 -8.894 1.00 0.00 C ATOM 619 CE2 TYR A 39 173.440 7.438 -9.578 1.00 0.00 C ATOM 620 CZ TYR A 39 174.037 8.287 -8.671 1.00 0.00 C ATOM 621 OH TYR A 39 174.627 7.774 -7.539 1.00 0.00 O ATOM 0 H TYR A 39 171.767 11.574 -13.953 1.00 0.00 H new ATOM 0 HA TYR A 39 174.129 10.517 -12.918 1.00 0.00 H new ATOM 0 HB2 TYR A 39 171.690 10.816 -11.952 1.00 0.00 H new ATOM 0 HB3 TYR A 39 171.440 9.191 -12.558 1.00 0.00 H new ATOM 0 HD1 TYR A 39 173.464 11.225 -10.203 1.00 0.00 H new ATOM 0 HD2 TYR A 39 172.383 7.289 -11.423 1.00 0.00 H new ATOM 0 HE1 TYR A 39 174.518 10.311 -8.182 1.00 0.00 H new ATOM 0 HE2 TYR A 39 173.434 6.373 -9.401 1.00 0.00 H new ATOM 0 HH TYR A 39 174.531 6.799 -7.533 1.00 0.00 H new ATOM 631 N CYS A 40 172.564 8.489 -15.005 1.00 0.00 N ATOM 632 CA CYS A 40 172.728 7.275 -15.807 1.00 0.00 C ATOM 633 C CYS A 40 173.917 7.407 -16.763 1.00 0.00 C ATOM 634 O CYS A 40 174.592 6.422 -17.064 1.00 0.00 O ATOM 635 CB CYS A 40 171.449 6.975 -16.597 1.00 0.00 C ATOM 636 SG CYS A 40 171.512 5.442 -17.557 1.00 0.00 S ATOM 0 H CYS A 40 171.707 9.008 -15.197 1.00 0.00 H new ATOM 0 HA CYS A 40 172.924 6.447 -15.126 1.00 0.00 H new ATOM 0 HB2 CYS A 40 170.611 6.921 -15.903 1.00 0.00 H new ATOM 0 HB3 CYS A 40 171.250 7.806 -17.273 1.00 0.00 H new ATOM 0 HG CYS A 40 172.752 5.122 -17.782 1.00 0.00 H new ATOM 642 N ASP A 41 174.173 8.632 -17.232 1.00 0.00 N ATOM 643 CA ASP A 41 175.286 8.890 -18.145 1.00 0.00 C ATOM 644 C ASP A 41 176.624 8.874 -17.400 1.00 0.00 C ATOM 645 O ASP A 41 177.642 8.451 -17.950 1.00 0.00 O ATOM 646 CB ASP A 41 175.097 10.236 -18.852 1.00 0.00 C ATOM 647 CG ASP A 41 174.385 10.092 -20.184 1.00 0.00 C ATOM 648 OD1 ASP A 41 175.037 9.674 -21.164 1.00 0.00 O ATOM 649 OD2 ASP A 41 173.176 10.397 -20.246 1.00 0.00 O ATOM 0 H ASP A 41 173.624 9.458 -16.994 1.00 0.00 H new ATOM 0 HA ASP A 41 175.298 8.095 -18.891 1.00 0.00 H new ATOM 0 HB2 ASP A 41 174.526 10.905 -18.208 1.00 0.00 H new ATOM 0 HB3 ASP A 41 176.070 10.700 -19.011 1.00 0.00 H new ATOM 654 N ILE A 42 176.614 9.339 -16.148 1.00 0.00 N ATOM 655 CA ILE A 42 177.826 9.379 -15.329 1.00 0.00 C ATOM 656 C ILE A 42 178.100 8.024 -14.665 1.00 0.00 C ATOM 657 O ILE A 42 179.248 7.578 -14.606 1.00 0.00 O ATOM 658 CB ILE A 42 177.735 10.470 -14.234 1.00 0.00 C ATOM 659 CG1 ILE A 42 177.348 11.822 -14.843 1.00 0.00 C ATOM 660 CG2 ILE A 42 179.057 10.587 -13.486 1.00 0.00 C ATOM 661 CD1 ILE A 42 176.618 12.735 -13.881 1.00 0.00 C ATOM 0 H ILE A 42 175.779 9.693 -15.680 1.00 0.00 H new ATOM 0 HA ILE A 42 178.648 9.619 -16.003 1.00 0.00 H new ATOM 0 HB ILE A 42 176.959 10.177 -13.527 1.00 0.00 H new ATOM 0 HG12 ILE A 42 178.250 12.324 -15.194 1.00 0.00 H new ATOM 0 HG13 ILE A 42 176.719 11.651 -15.716 1.00 0.00 H new ATOM 0 HG21 ILE A 42 178.975 11.358 -12.720 1.00 0.00 H new ATOM 0 HG22 ILE A 42 179.295 9.633 -13.016 1.00 0.00 H new ATOM 0 HG23 ILE A 42 179.849 10.854 -14.186 1.00 0.00 H new ATOM 0 HD11 ILE A 42 176.376 13.673 -14.382 1.00 0.00 H new ATOM 0 HD12 ILE A 42 175.698 12.253 -13.549 1.00 0.00 H new ATOM 0 HD13 ILE A 42 177.253 12.937 -13.019 1.00 0.00 H new ATOM 673 N ILE A 43 177.046 7.379 -14.158 1.00 0.00 N ATOM 674 CA ILE A 43 177.180 6.083 -13.490 1.00 0.00 C ATOM 675 C ILE A 43 176.882 4.926 -14.445 1.00 0.00 C ATOM 676 O ILE A 43 175.831 4.893 -15.085 1.00 0.00 O ATOM 677 CB ILE A 43 176.240 5.977 -12.266 1.00 0.00 C ATOM 678 CG1 ILE A 43 176.431 7.175 -11.328 1.00 0.00 C ATOM 679 CG2 ILE A 43 176.472 4.667 -11.519 1.00 0.00 C ATOM 680 CD1 ILE A 43 177.816 7.262 -10.719 1.00 0.00 C ATOM 0 H ILE A 43 176.090 7.734 -14.198 1.00 0.00 H new ATOM 0 HA ILE A 43 178.215 6.013 -13.155 1.00 0.00 H new ATOM 0 HB ILE A 43 175.211 5.987 -12.627 1.00 0.00 H new ATOM 0 HG12 ILE A 43 176.229 8.093 -11.881 1.00 0.00 H new ATOM 0 HG13 ILE A 43 175.695 7.117 -10.526 1.00 0.00 H new ATOM 0 HG21 ILE A 43 175.801 4.613 -10.662 1.00 0.00 H new ATOM 0 HG22 ILE A 43 176.276 3.828 -12.187 1.00 0.00 H new ATOM 0 HG23 ILE A 43 177.505 4.623 -11.174 1.00 0.00 H new ATOM 0 HD11 ILE A 43 177.873 8.135 -10.068 1.00 0.00 H new ATOM 0 HD12 ILE A 43 178.015 6.362 -10.137 1.00 0.00 H new ATOM 0 HD13 ILE A 43 178.557 7.352 -11.513 1.00 0.00 H new ATOM 692 N LYS A 44 177.811 3.970 -14.522 1.00 0.00 N ATOM 693 CA LYS A 44 177.645 2.801 -15.388 1.00 0.00 C ATOM 694 C LYS A 44 176.794 1.723 -14.709 1.00 0.00 C ATOM 695 O LYS A 44 176.004 1.043 -15.366 1.00 0.00 O ATOM 696 CB LYS A 44 179.010 2.221 -15.782 1.00 0.00 C ATOM 697 CG LYS A 44 179.805 1.661 -14.611 1.00 0.00 C ATOM 698 CD LYS A 44 181.254 1.390 -14.991 1.00 0.00 C ATOM 699 CE LYS A 44 182.219 2.260 -14.194 1.00 0.00 C ATOM 700 NZ LYS A 44 181.992 2.158 -12.722 1.00 0.00 N ATOM 0 H LYS A 44 178.685 3.983 -13.996 1.00 0.00 H new ATOM 0 HA LYS A 44 177.127 3.129 -16.289 1.00 0.00 H new ATOM 0 HB2 LYS A 44 178.859 1.430 -16.517 1.00 0.00 H new ATOM 0 HB3 LYS A 44 179.598 3.000 -16.268 1.00 0.00 H new ATOM 0 HG2 LYS A 44 179.773 2.365 -13.780 1.00 0.00 H new ATOM 0 HG3 LYS A 44 179.341 0.737 -14.265 1.00 0.00 H new ATOM 0 HD2 LYS A 44 181.485 0.339 -14.818 1.00 0.00 H new ATOM 0 HD3 LYS A 44 181.392 1.576 -16.056 1.00 0.00 H new ATOM 0 HE2 LYS A 44 183.243 1.965 -14.422 1.00 0.00 H new ATOM 0 HE3 LYS A 44 182.109 3.299 -14.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 182.891 2.309 -12.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 181.305 2.880 -12.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 181.622 1.213 -12.492 1.00 0.00 H new ATOM 714 N HIS A 45 176.965 1.569 -13.393 1.00 0.00 N ATOM 715 CA HIS A 45 176.217 0.574 -12.628 1.00 0.00 C ATOM 716 C HIS A 45 175.470 1.226 -11.461 1.00 0.00 C ATOM 717 O HIS A 45 175.996 1.317 -10.349 1.00 0.00 O ATOM 718 CB HIS A 45 177.161 -0.516 -12.107 1.00 0.00 C ATOM 719 CG HIS A 45 176.978 -1.846 -12.774 1.00 0.00 C ATOM 720 ND1 HIS A 45 175.741 -2.420 -12.989 1.00 0.00 N ATOM 721 CD2 HIS A 45 177.886 -2.720 -13.270 1.00 0.00 C ATOM 722 CE1 HIS A 45 175.897 -3.586 -13.590 1.00 0.00 C ATOM 723 NE2 HIS A 45 177.189 -3.791 -13.771 1.00 0.00 N ATOM 0 H HIS A 45 177.616 2.123 -12.837 1.00 0.00 H new ATOM 0 HA HIS A 45 175.482 0.119 -13.292 1.00 0.00 H new ATOM 0 HB2 HIS A 45 178.191 -0.189 -12.247 1.00 0.00 H new ATOM 0 HB3 HIS A 45 177.007 -0.634 -11.034 1.00 0.00 H new ATOM 0 HD2 HIS A 45 178.959 -2.597 -13.271 1.00 0.00 H new ATOM 0 HE1 HIS A 45 175.103 -4.257 -13.883 1.00 0.00 H new ATOM 0 HE2 HIS A 45 177.602 -4.613 -14.212 1.00 0.00 H new ATOM 732 N PRO A 46 174.227 1.692 -11.701 1.00 0.00 N ATOM 733 CA PRO A 46 173.407 2.336 -10.667 1.00 0.00 C ATOM 734 C PRO A 46 172.949 1.351 -9.589 1.00 0.00 C ATOM 735 O PRO A 46 172.203 0.411 -9.871 1.00 0.00 O ATOM 736 CB PRO A 46 172.206 2.879 -11.449 1.00 0.00 C ATOM 737 CG PRO A 46 172.117 2.013 -12.659 1.00 0.00 C ATOM 738 CD PRO A 46 173.529 1.627 -13.000 1.00 0.00 C ATOM 0 HA PRO A 46 173.961 3.105 -10.128 1.00 0.00 H new ATOM 0 HB2 PRO A 46 171.292 2.827 -10.857 1.00 0.00 H new ATOM 0 HB3 PRO A 46 172.351 3.925 -11.721 1.00 0.00 H new ATOM 0 HG2 PRO A 46 171.508 1.130 -12.463 1.00 0.00 H new ATOM 0 HG3 PRO A 46 171.648 2.546 -13.486 1.00 0.00 H new ATOM 0 HD2 PRO A 46 173.579 0.628 -13.433 1.00 0.00 H new ATOM 0 HD3 PRO A 46 173.968 2.311 -13.726 1.00 0.00 H new ATOM 746 N MET A 47 173.405 1.572 -8.355 1.00 0.00 N ATOM 747 CA MET A 47 173.047 0.704 -7.234 1.00 0.00 C ATOM 748 C MET A 47 172.800 1.515 -5.960 1.00 0.00 C ATOM 749 O MET A 47 173.398 2.575 -5.762 1.00 0.00 O ATOM 750 CB MET A 47 174.149 -0.333 -6.994 1.00 0.00 C ATOM 751 CG MET A 47 173.957 -1.619 -7.783 1.00 0.00 C ATOM 752 SD MET A 47 174.665 -3.055 -6.955 1.00 0.00 S ATOM 753 CE MET A 47 173.521 -3.259 -5.592 1.00 0.00 C ATOM 0 H MET A 47 174.023 2.345 -8.107 1.00 0.00 H new ATOM 0 HA MET A 47 172.121 0.189 -7.491 1.00 0.00 H new ATOM 0 HB2 MET A 47 175.112 0.105 -7.257 1.00 0.00 H new ATOM 0 HB3 MET A 47 174.187 -0.571 -5.931 1.00 0.00 H new ATOM 0 HG2 MET A 47 172.892 -1.786 -7.944 1.00 0.00 H new ATOM 0 HG3 MET A 47 174.415 -1.509 -8.766 1.00 0.00 H new ATOM 0 HE1 MET A 47 173.570 -4.285 -5.226 1.00 0.00 H new ATOM 0 HE2 MET A 47 173.788 -2.574 -4.787 1.00 0.00 H new ATOM 0 HE3 MET A 47 172.508 -3.043 -5.932 1.00 0.00 H new ATOM 763 N ASP A 48 171.912 1.007 -5.101 1.00 0.00 N ATOM 764 CA ASP A 48 171.576 1.678 -3.843 1.00 0.00 C ATOM 765 C ASP A 48 171.234 0.664 -2.748 1.00 0.00 C ATOM 766 O ASP A 48 171.103 -0.532 -3.016 1.00 0.00 O ATOM 767 CB ASP A 48 170.395 2.632 -4.052 1.00 0.00 C ATOM 768 CG ASP A 48 170.568 3.942 -3.306 1.00 0.00 C ATOM 769 OD1 ASP A 48 170.563 3.922 -2.058 1.00 0.00 O ATOM 770 OD2 ASP A 48 170.711 4.986 -3.972 1.00 0.00 O ATOM 0 H ASP A 48 171.412 0.131 -5.255 1.00 0.00 H new ATOM 0 HA ASP A 48 172.449 2.247 -3.523 1.00 0.00 H new ATOM 0 HB2 ASP A 48 170.281 2.836 -5.117 1.00 0.00 H new ATOM 0 HB3 ASP A 48 169.477 2.147 -3.720 1.00 0.00 H new ATOM 775 N MET A 49 171.083 1.156 -1.513 1.00 0.00 N ATOM 776 CA MET A 49 170.749 0.299 -0.371 1.00 0.00 C ATOM 777 C MET A 49 169.464 -0.488 -0.632 1.00 0.00 C ATOM 778 O MET A 49 169.386 -1.679 -0.326 1.00 0.00 O ATOM 779 CB MET A 49 170.595 1.138 0.903 1.00 0.00 C ATOM 780 CG MET A 49 171.874 1.252 1.715 1.00 0.00 C ATOM 781 SD MET A 49 171.562 1.601 3.457 1.00 0.00 S ATOM 782 CE MET A 49 173.236 1.716 4.080 1.00 0.00 C ATOM 0 H MET A 49 171.187 2.143 -1.279 1.00 0.00 H new ATOM 0 HA MET A 49 171.567 -0.409 -0.235 1.00 0.00 H new ATOM 0 HB2 MET A 49 170.257 2.138 0.631 1.00 0.00 H new ATOM 0 HB3 MET A 49 169.817 0.697 1.526 1.00 0.00 H new ATOM 0 HG2 MET A 49 172.438 0.323 1.630 1.00 0.00 H new ATOM 0 HG3 MET A 49 172.497 2.042 1.296 1.00 0.00 H new ATOM 0 HE1 MET A 49 173.213 1.929 5.149 1.00 0.00 H new ATOM 0 HE2 MET A 49 173.753 0.772 3.910 1.00 0.00 H new ATOM 0 HE3 MET A 49 173.763 2.517 3.562 1.00 0.00 H new ATOM 792 N SER A 50 168.463 0.184 -1.207 1.00 0.00 N ATOM 793 CA SER A 50 167.187 -0.457 -1.521 1.00 0.00 C ATOM 794 C SER A 50 167.387 -1.593 -2.525 1.00 0.00 C ATOM 795 O SER A 50 166.772 -2.654 -2.402 1.00 0.00 O ATOM 796 CB SER A 50 166.197 0.572 -2.077 1.00 0.00 C ATOM 797 OG SER A 50 164.944 -0.023 -2.376 1.00 0.00 O ATOM 0 H SER A 50 168.513 1.170 -1.463 1.00 0.00 H new ATOM 0 HA SER A 50 166.779 -0.876 -0.602 1.00 0.00 H new ATOM 0 HB2 SER A 50 166.057 1.373 -1.351 1.00 0.00 H new ATOM 0 HB3 SER A 50 166.610 1.026 -2.978 1.00 0.00 H new ATOM 0 HG SER A 50 164.334 0.659 -2.727 1.00 0.00 H new ATOM 803 N THR A 51 168.259 -1.367 -3.511 1.00 0.00 N ATOM 804 CA THR A 51 168.549 -2.374 -4.531 1.00 0.00 C ATOM 805 C THR A 51 169.252 -3.587 -3.918 1.00 0.00 C ATOM 806 O THR A 51 168.926 -4.729 -4.246 1.00 0.00 O ATOM 807 CB THR A 51 169.407 -1.775 -5.651 1.00 0.00 C ATOM 808 OG1 THR A 51 168.805 -0.601 -6.171 1.00 0.00 O ATOM 809 CG2 THR A 51 169.631 -2.726 -6.808 1.00 0.00 C ATOM 0 H THR A 51 168.776 -0.495 -3.623 1.00 0.00 H new ATOM 0 HA THR A 51 167.601 -2.705 -4.955 1.00 0.00 H new ATOM 0 HB THR A 51 170.370 -1.555 -5.190 1.00 0.00 H new ATOM 0 HG1 THR A 51 169.368 -0.233 -6.883 1.00 0.00 H new ATOM 0 HG21 THR A 51 170.246 -2.239 -7.565 1.00 0.00 H new ATOM 0 HG22 THR A 51 170.138 -3.622 -6.450 1.00 0.00 H new ATOM 0 HG23 THR A 51 168.671 -3.002 -7.243 1.00 0.00 H new ATOM 817 N ILE A 52 170.212 -3.336 -3.023 1.00 0.00 N ATOM 818 CA ILE A 52 170.948 -4.417 -2.368 1.00 0.00 C ATOM 819 C ILE A 52 170.019 -5.245 -1.479 1.00 0.00 C ATOM 820 O ILE A 52 170.053 -6.476 -1.508 1.00 0.00 O ATOM 821 CB ILE A 52 172.123 -3.883 -1.513 1.00 0.00 C ATOM 822 CG1 ILE A 52 173.030 -2.966 -2.341 1.00 0.00 C ATOM 823 CG2 ILE A 52 172.927 -5.040 -0.936 1.00 0.00 C ATOM 824 CD1 ILE A 52 173.707 -1.885 -1.524 1.00 0.00 C ATOM 0 H ILE A 52 170.495 -2.399 -2.738 1.00 0.00 H new ATOM 0 HA ILE A 52 171.355 -5.045 -3.161 1.00 0.00 H new ATOM 0 HB ILE A 52 171.707 -3.300 -0.691 1.00 0.00 H new ATOM 0 HG12 ILE A 52 173.793 -3.570 -2.832 1.00 0.00 H new ATOM 0 HG13 ILE A 52 172.439 -2.498 -3.128 1.00 0.00 H new ATOM 0 HG21 ILE A 52 173.750 -4.649 -0.337 1.00 0.00 H new ATOM 0 HG22 ILE A 52 172.282 -5.654 -0.308 1.00 0.00 H new ATOM 0 HG23 ILE A 52 173.326 -5.647 -1.749 1.00 0.00 H new ATOM 0 HD11 ILE A 52 174.333 -1.275 -2.175 1.00 0.00 H new ATOM 0 HD12 ILE A 52 172.950 -1.256 -1.054 1.00 0.00 H new ATOM 0 HD13 ILE A 52 174.326 -2.345 -0.754 1.00 0.00 H new ATOM 836 N LYS A 53 169.178 -4.565 -0.698 1.00 0.00 N ATOM 837 CA LYS A 53 168.236 -5.249 0.187 1.00 0.00 C ATOM 838 C LYS A 53 167.205 -6.041 -0.616 1.00 0.00 C ATOM 839 O LYS A 53 166.801 -7.129 -0.207 1.00 0.00 O ATOM 840 CB LYS A 53 167.525 -4.249 1.101 1.00 0.00 C ATOM 841 CG LYS A 53 167.390 -4.733 2.538 1.00 0.00 C ATOM 842 CD LYS A 53 166.460 -3.843 3.350 1.00 0.00 C ATOM 843 CE LYS A 53 164.999 -4.069 2.982 1.00 0.00 C ATOM 844 NZ LYS A 53 164.514 -3.093 1.963 1.00 0.00 N ATOM 0 H LYS A 53 169.130 -3.547 -0.661 1.00 0.00 H new ATOM 0 HA LYS A 53 168.807 -5.944 0.802 1.00 0.00 H new ATOM 0 HB2 LYS A 53 168.073 -3.307 1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 53 166.533 -4.044 0.700 1.00 0.00 H new ATOM 0 HG2 LYS A 53 167.011 -5.755 2.543 1.00 0.00 H new ATOM 0 HG3 LYS A 53 168.373 -4.755 3.008 1.00 0.00 H new ATOM 0 HD2 LYS A 53 166.602 -4.041 4.412 1.00 0.00 H new ATOM 0 HD3 LYS A 53 166.720 -2.798 3.183 1.00 0.00 H new ATOM 0 HE2 LYS A 53 164.876 -5.082 2.599 1.00 0.00 H new ATOM 0 HE3 LYS A 53 164.384 -3.990 3.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 163.853 -2.425 2.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 165.323 -2.570 1.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 164.028 -3.603 1.198 1.00 0.00 H new ATOM 858 N SER A 54 166.786 -5.490 -1.760 1.00 0.00 N ATOM 859 CA SER A 54 165.800 -6.148 -2.618 1.00 0.00 C ATOM 860 C SER A 54 166.275 -7.542 -3.040 1.00 0.00 C ATOM 861 O SER A 54 165.479 -8.481 -3.095 1.00 0.00 O ATOM 862 CB SER A 54 165.508 -5.284 -3.853 1.00 0.00 C ATOM 863 OG SER A 54 166.442 -5.522 -4.897 1.00 0.00 O ATOM 0 H SER A 54 167.115 -4.591 -2.111 1.00 0.00 H new ATOM 0 HA SER A 54 164.880 -6.267 -2.046 1.00 0.00 H new ATOM 0 HB2 SER A 54 164.500 -5.493 -4.212 1.00 0.00 H new ATOM 0 HB3 SER A 54 165.535 -4.231 -3.574 1.00 0.00 H new ATOM 0 HG SER A 54 167.327 -5.203 -4.623 1.00 0.00 H new ATOM 869 N LYS A 55 167.576 -7.677 -3.318 1.00 0.00 N ATOM 870 CA LYS A 55 168.146 -8.961 -3.710 1.00 0.00 C ATOM 871 C LYS A 55 167.993 -9.966 -2.570 1.00 0.00 C ATOM 872 O LYS A 55 167.520 -11.084 -2.774 1.00 0.00 O ATOM 873 CB LYS A 55 169.624 -8.797 -4.076 1.00 0.00 C ATOM 874 CG LYS A 55 169.858 -8.040 -5.374 1.00 0.00 C ATOM 875 CD LYS A 55 169.455 -8.868 -6.586 1.00 0.00 C ATOM 876 CE LYS A 55 170.014 -8.285 -7.876 1.00 0.00 C ATOM 877 NZ LYS A 55 169.608 -6.863 -8.072 1.00 0.00 N ATOM 0 H LYS A 55 168.249 -6.912 -3.278 1.00 0.00 H new ATOM 0 HA LYS A 55 167.612 -9.332 -4.585 1.00 0.00 H new ATOM 0 HB2 LYS A 55 170.133 -8.275 -3.266 1.00 0.00 H new ATOM 0 HB3 LYS A 55 170.080 -9.784 -4.155 1.00 0.00 H new ATOM 0 HG2 LYS A 55 169.288 -7.111 -5.362 1.00 0.00 H new ATOM 0 HG3 LYS A 55 170.911 -7.768 -5.452 1.00 0.00 H new ATOM 0 HD2 LYS A 55 169.812 -9.890 -6.464 1.00 0.00 H new ATOM 0 HD3 LYS A 55 168.368 -8.916 -6.649 1.00 0.00 H new ATOM 0 HE2 LYS A 55 171.102 -8.352 -7.862 1.00 0.00 H new ATOM 0 HE3 LYS A 55 169.669 -8.880 -8.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 169.879 -6.553 -9.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 168.578 -6.778 -7.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 170.084 -6.266 -7.366 1.00 0.00 H new ATOM 891 N LEU A 56 168.375 -9.544 -1.364 1.00 0.00 N ATOM 892 CA LEU A 56 168.262 -10.388 -0.177 1.00 0.00 C ATOM 893 C LEU A 56 166.792 -10.729 0.103 1.00 0.00 C ATOM 894 O LEU A 56 166.480 -11.830 0.562 1.00 0.00 O ATOM 895 CB LEU A 56 168.900 -9.679 1.029 1.00 0.00 C ATOM 896 CG LEU A 56 168.483 -10.193 2.413 1.00 0.00 C ATOM 897 CD1 LEU A 56 168.953 -11.626 2.625 1.00 0.00 C ATOM 898 CD2 LEU A 56 169.038 -9.284 3.502 1.00 0.00 C ATOM 0 H LEU A 56 168.766 -8.619 -1.185 1.00 0.00 H new ATOM 0 HA LEU A 56 168.795 -11.322 -0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 56 169.983 -9.765 0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 56 168.658 -8.618 0.970 1.00 0.00 H new ATOM 0 HG LEU A 56 167.394 -10.182 2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 56 168.645 -11.967 3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 56 168.511 -12.270 1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 56 170.040 -11.668 2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 56 168.735 -9.660 4.479 1.00 0.00 H new ATOM 0 HD22 LEU A 56 170.126 -9.266 3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 56 168.651 -8.274 3.366 1.00 0.00 H new ATOM 910 N GLU A 57 165.894 -9.779 -0.190 1.00 0.00 N ATOM 911 CA GLU A 57 164.455 -9.974 0.015 1.00 0.00 C ATOM 912 C GLU A 57 163.914 -11.098 -0.873 1.00 0.00 C ATOM 913 O GLU A 57 163.065 -11.880 -0.446 1.00 0.00 O ATOM 914 CB GLU A 57 163.691 -8.677 -0.270 1.00 0.00 C ATOM 915 CG GLU A 57 163.983 -7.565 0.726 1.00 0.00 C ATOM 916 CD GLU A 57 162.727 -6.898 1.259 1.00 0.00 C ATOM 917 OE1 GLU A 57 161.884 -6.473 0.441 1.00 0.00 O ATOM 918 OE2 GLU A 57 162.591 -6.796 2.496 1.00 0.00 O ATOM 0 H GLU A 57 166.141 -8.866 -0.571 1.00 0.00 H new ATOM 0 HA GLU A 57 164.306 -10.256 1.057 1.00 0.00 H new ATOM 0 HB2 GLU A 57 163.942 -8.330 -1.272 1.00 0.00 H new ATOM 0 HB3 GLU A 57 162.621 -8.887 -0.264 1.00 0.00 H new ATOM 0 HG2 GLU A 57 164.553 -7.973 1.561 1.00 0.00 H new ATOM 0 HG3 GLU A 57 164.612 -6.813 0.248 1.00 0.00 H new ATOM 925 N ALA A 58 164.410 -11.171 -2.112 1.00 0.00 N ATOM 926 CA ALA A 58 163.972 -12.200 -3.060 1.00 0.00 C ATOM 927 C ALA A 58 164.805 -13.487 -2.945 1.00 0.00 C ATOM 928 O ALA A 58 164.765 -14.334 -3.839 1.00 0.00 O ATOM 929 CB ALA A 58 164.030 -11.659 -4.484 1.00 0.00 C ATOM 0 H ALA A 58 165.113 -10.531 -2.481 1.00 0.00 H new ATOM 0 HA ALA A 58 162.943 -12.457 -2.811 1.00 0.00 H new ATOM 0 HB1 ALA A 58 163.703 -12.431 -5.180 1.00 0.00 H new ATOM 0 HB2 ALA A 58 163.376 -10.791 -4.571 1.00 0.00 H new ATOM 0 HB3 ALA A 58 165.053 -11.367 -4.721 1.00 0.00 H new ATOM 935 N ARG A 59 165.561 -13.630 -1.848 1.00 0.00 N ATOM 936 CA ARG A 59 166.405 -14.809 -1.627 1.00 0.00 C ATOM 937 C ARG A 59 167.448 -14.975 -2.739 1.00 0.00 C ATOM 938 O ARG A 59 167.904 -16.088 -3.014 1.00 0.00 O ATOM 939 CB ARG A 59 165.547 -16.078 -1.508 1.00 0.00 C ATOM 940 CG ARG A 59 165.165 -16.428 -0.076 1.00 0.00 C ATOM 941 CD ARG A 59 166.363 -16.926 0.722 1.00 0.00 C ATOM 942 NE ARG A 59 166.854 -18.221 0.243 1.00 0.00 N ATOM 943 CZ ARG A 59 168.082 -18.695 0.488 1.00 0.00 C ATOM 944 NH1 ARG A 59 168.951 -17.983 1.203 1.00 0.00 N ATOM 945 NH2 ARG A 59 168.442 -19.884 0.016 1.00 0.00 N ATOM 0 H ARG A 59 165.604 -12.940 -1.098 1.00 0.00 H new ATOM 0 HA ARG A 59 166.938 -14.656 -0.689 1.00 0.00 H new ATOM 0 HB2 ARG A 59 164.638 -15.947 -2.095 1.00 0.00 H new ATOM 0 HB3 ARG A 59 166.091 -16.916 -1.944 1.00 0.00 H new ATOM 0 HG2 ARG A 59 164.742 -15.550 0.413 1.00 0.00 H new ATOM 0 HG3 ARG A 59 164.389 -17.194 -0.083 1.00 0.00 H new ATOM 0 HD2 ARG A 59 167.166 -16.192 0.663 1.00 0.00 H new ATOM 0 HD3 ARG A 59 166.086 -17.012 1.773 1.00 0.00 H new ATOM 0 HE ARG A 59 166.221 -18.797 -0.312 1.00 0.00 H new ATOM 0 HH11 ARG A 59 168.683 -17.069 1.569 1.00 0.00 H new ATOM 0 HH12 ARG A 59 169.885 -18.351 1.385 1.00 0.00 H new ATOM 0 HH21 ARG A 59 167.783 -20.436 -0.533 1.00 0.00 H new ATOM 0 HH22 ARG A 59 169.378 -20.245 0.203 1.00 0.00 H new ATOM 959 N GLU A 60 167.840 -13.860 -3.362 1.00 0.00 N ATOM 960 CA GLU A 60 168.843 -13.883 -4.426 1.00 0.00 C ATOM 961 C GLU A 60 170.243 -14.050 -3.837 1.00 0.00 C ATOM 962 O GLU A 60 171.104 -14.699 -4.434 1.00 0.00 O ATOM 963 CB GLU A 60 168.775 -12.601 -5.264 1.00 0.00 C ATOM 964 CG GLU A 60 168.023 -12.764 -6.578 1.00 0.00 C ATOM 965 CD GLU A 60 168.937 -12.790 -7.792 1.00 0.00 C ATOM 966 OE1 GLU A 60 169.864 -11.953 -7.864 1.00 0.00 O ATOM 967 OE2 GLU A 60 168.721 -13.645 -8.676 1.00 0.00 O ATOM 0 H GLU A 60 167.477 -12.931 -3.147 1.00 0.00 H new ATOM 0 HA GLU A 60 168.630 -14.733 -5.074 1.00 0.00 H new ATOM 0 HB2 GLU A 60 168.295 -11.819 -4.676 1.00 0.00 H new ATOM 0 HB3 GLU A 60 169.789 -12.263 -5.476 1.00 0.00 H new ATOM 0 HG2 GLU A 60 167.445 -13.688 -6.546 1.00 0.00 H new ATOM 0 HG3 GLU A 60 167.310 -11.946 -6.685 1.00 0.00 H new ATOM 974 N TYR A 61 170.459 -13.467 -2.657 1.00 0.00 N ATOM 975 CA TYR A 61 171.748 -13.559 -1.979 1.00 0.00 C ATOM 976 C TYR A 61 171.890 -14.905 -1.278 1.00 0.00 C ATOM 977 O TYR A 61 171.473 -15.067 -0.128 1.00 0.00 O ATOM 978 CB TYR A 61 171.907 -12.419 -0.966 1.00 0.00 C ATOM 979 CG TYR A 61 172.378 -11.117 -1.575 1.00 0.00 C ATOM 980 CD1 TYR A 61 173.460 -11.083 -2.449 1.00 0.00 C ATOM 981 CD2 TYR A 61 171.744 -9.919 -1.272 1.00 0.00 C ATOM 982 CE1 TYR A 61 173.893 -9.893 -3.002 1.00 0.00 C ATOM 983 CE2 TYR A 61 172.173 -8.728 -1.821 1.00 0.00 C ATOM 984 CZ TYR A 61 173.245 -8.720 -2.684 1.00 0.00 C ATOM 985 OH TYR A 61 173.670 -7.533 -3.228 1.00 0.00 O ATOM 0 H TYR A 61 169.756 -12.926 -2.153 1.00 0.00 H new ATOM 0 HA TYR A 61 172.533 -13.471 -2.730 1.00 0.00 H new ATOM 0 HB2 TYR A 61 170.951 -12.251 -0.470 1.00 0.00 H new ATOM 0 HB3 TYR A 61 172.616 -12.726 -0.197 1.00 0.00 H new ATOM 0 HD1 TYR A 61 173.970 -12.002 -2.699 1.00 0.00 H new ATOM 0 HD2 TYR A 61 170.902 -9.920 -0.596 1.00 0.00 H new ATOM 0 HE1 TYR A 61 174.734 -9.883 -3.679 1.00 0.00 H new ATOM 0 HE2 TYR A 61 171.669 -7.805 -1.574 1.00 0.00 H new ATOM 0 HH TYR A 61 172.905 -7.057 -3.612 1.00 0.00 H new ATOM 995 N ARG A 62 172.483 -15.870 -1.979 1.00 0.00 N ATOM 996 CA ARG A 62 172.688 -17.207 -1.428 1.00 0.00 C ATOM 997 C ARG A 62 173.559 -17.157 -0.172 1.00 0.00 C ATOM 998 O ARG A 62 173.358 -17.937 0.761 1.00 0.00 O ATOM 999 CB ARG A 62 173.330 -18.125 -2.474 1.00 0.00 C ATOM 1000 CG ARG A 62 172.429 -19.271 -2.912 1.00 0.00 C ATOM 1001 CD ARG A 62 173.135 -20.196 -3.894 1.00 0.00 C ATOM 1002 NE ARG A 62 173.415 -19.536 -5.171 1.00 0.00 N ATOM 1003 CZ ARG A 62 172.509 -19.352 -6.138 1.00 0.00 C ATOM 1004 NH1 ARG A 62 171.254 -19.770 -5.980 1.00 0.00 N ATOM 1005 NH2 ARG A 62 172.860 -18.745 -7.267 1.00 0.00 N ATOM 0 H ARG A 62 172.830 -15.750 -2.931 1.00 0.00 H new ATOM 0 HA ARG A 62 171.712 -17.609 -1.154 1.00 0.00 H new ATOM 0 HB2 ARG A 62 173.602 -17.533 -3.348 1.00 0.00 H new ATOM 0 HB3 ARG A 62 174.254 -18.535 -2.067 1.00 0.00 H new ATOM 0 HG2 ARG A 62 172.113 -19.840 -2.038 1.00 0.00 H new ATOM 0 HG3 ARG A 62 171.527 -18.869 -3.374 1.00 0.00 H new ATOM 0 HD2 ARG A 62 174.069 -20.545 -3.455 1.00 0.00 H new ATOM 0 HD3 ARG A 62 172.517 -21.077 -4.070 1.00 0.00 H new ATOM 0 HE ARG A 62 174.362 -19.194 -5.334 1.00 0.00 H new ATOM 0 HH11 ARG A 62 170.976 -20.235 -5.116 1.00 0.00 H new ATOM 0 HH12 ARG A 62 170.571 -19.625 -6.723 1.00 0.00 H new ATOM 0 HH21 ARG A 62 173.819 -18.421 -7.395 1.00 0.00 H new ATOM 0 HH22 ARG A 62 172.171 -18.604 -8.006 1.00 0.00 H new ATOM 1019 N ASP A 63 174.527 -16.235 -0.158 1.00 0.00 N ATOM 1020 CA ASP A 63 175.431 -16.084 0.980 1.00 0.00 C ATOM 1021 C ASP A 63 175.813 -14.616 1.199 1.00 0.00 C ATOM 1022 O ASP A 63 175.602 -13.768 0.326 1.00 0.00 O ATOM 1023 CB ASP A 63 176.695 -16.926 0.768 1.00 0.00 C ATOM 1024 CG ASP A 63 177.297 -16.740 -0.616 1.00 0.00 C ATOM 1025 OD1 ASP A 63 177.833 -15.643 -0.891 1.00 0.00 O ATOM 1026 OD2 ASP A 63 177.227 -17.690 -1.423 1.00 0.00 O ATOM 0 H ASP A 63 174.702 -15.584 -0.923 1.00 0.00 H new ATOM 0 HA ASP A 63 174.908 -16.435 1.870 1.00 0.00 H new ATOM 0 HB2 ASP A 63 177.436 -16.658 1.521 1.00 0.00 H new ATOM 0 HB3 ASP A 63 176.455 -17.979 0.917 1.00 0.00 H new ATOM 1031 N ALA A 64 176.385 -14.326 2.372 1.00 0.00 N ATOM 1032 CA ALA A 64 176.807 -12.967 2.714 1.00 0.00 C ATOM 1033 C ALA A 64 177.972 -12.494 1.837 1.00 0.00 C ATOM 1034 O ALA A 64 178.184 -11.290 1.685 1.00 0.00 O ATOM 1035 CB ALA A 64 177.187 -12.880 4.186 1.00 0.00 C ATOM 0 H ALA A 64 176.566 -15.017 3.101 1.00 0.00 H new ATOM 0 HA ALA A 64 175.961 -12.306 2.525 1.00 0.00 H new ATOM 0 HB1 ALA A 64 177.498 -11.862 4.422 1.00 0.00 H new ATOM 0 HB2 ALA A 64 176.327 -13.148 4.800 1.00 0.00 H new ATOM 0 HB3 ALA A 64 178.008 -13.567 4.391 1.00 0.00 H new ATOM 1041 N GLN A 65 178.721 -13.440 1.259 1.00 0.00 N ATOM 1042 CA GLN A 65 179.854 -13.098 0.398 1.00 0.00 C ATOM 1043 C GLN A 65 179.377 -12.331 -0.836 1.00 0.00 C ATOM 1044 O GLN A 65 180.003 -11.352 -1.247 1.00 0.00 O ATOM 1045 CB GLN A 65 180.612 -14.362 -0.020 1.00 0.00 C ATOM 1046 CG GLN A 65 181.953 -14.527 0.681 1.00 0.00 C ATOM 1047 CD GLN A 65 181.848 -15.294 1.989 1.00 0.00 C ATOM 1048 OE1 GLN A 65 180.764 -15.438 2.557 1.00 0.00 O ATOM 1049 NE2 GLN A 65 182.980 -15.792 2.476 1.00 0.00 N ATOM 0 H GLN A 65 178.563 -14.441 1.372 1.00 0.00 H new ATOM 0 HA GLN A 65 180.533 -12.458 0.962 1.00 0.00 H new ATOM 0 HB2 GLN A 65 179.992 -15.234 0.190 1.00 0.00 H new ATOM 0 HB3 GLN A 65 180.775 -14.338 -1.097 1.00 0.00 H new ATOM 0 HG2 GLN A 65 182.643 -15.046 0.016 1.00 0.00 H new ATOM 0 HG3 GLN A 65 182.378 -13.543 0.876 1.00 0.00 H new ATOM 0 HE21 GLN A 65 183.857 -15.650 1.975 1.00 0.00 H new ATOM 0 HE22 GLN A 65 182.972 -16.316 3.351 1.00 0.00 H new ATOM 1058 N GLU A 66 178.255 -12.770 -1.411 1.00 0.00 N ATOM 1059 CA GLU A 66 177.682 -12.111 -2.586 1.00 0.00 C ATOM 1060 C GLU A 66 177.165 -10.714 -2.232 1.00 0.00 C ATOM 1061 O GLU A 66 177.261 -9.788 -3.039 1.00 0.00 O ATOM 1062 CB GLU A 66 176.550 -12.956 -3.175 1.00 0.00 C ATOM 1063 CG GLU A 66 176.979 -13.811 -4.357 1.00 0.00 C ATOM 1064 CD GLU A 66 176.837 -15.301 -4.092 1.00 0.00 C ATOM 1065 OE1 GLU A 66 175.693 -15.768 -3.897 1.00 0.00 O ATOM 1066 OE2 GLU A 66 177.869 -16.001 -4.091 1.00 0.00 O ATOM 0 H GLU A 66 177.726 -13.578 -1.082 1.00 0.00 H new ATOM 0 HA GLU A 66 178.470 -12.008 -3.332 1.00 0.00 H new ATOM 0 HB2 GLU A 66 176.148 -13.604 -2.396 1.00 0.00 H new ATOM 0 HB3 GLU A 66 175.741 -12.296 -3.489 1.00 0.00 H new ATOM 0 HG2 GLU A 66 176.381 -13.544 -5.228 1.00 0.00 H new ATOM 0 HG3 GLU A 66 178.017 -13.588 -4.602 1.00 0.00 H new ATOM 1073 N PHE A 67 176.627 -10.568 -1.017 1.00 0.00 N ATOM 1074 CA PHE A 67 176.108 -9.281 -0.548 1.00 0.00 C ATOM 1075 C PHE A 67 177.215 -8.230 -0.543 1.00 0.00 C ATOM 1076 O PHE A 67 177.030 -7.118 -1.040 1.00 0.00 O ATOM 1077 CB PHE A 67 175.510 -9.428 0.859 1.00 0.00 C ATOM 1078 CG PHE A 67 174.831 -8.186 1.382 1.00 0.00 C ATOM 1079 CD1 PHE A 67 175.575 -7.116 1.858 1.00 0.00 C ATOM 1080 CD2 PHE A 67 173.447 -8.095 1.406 1.00 0.00 C ATOM 1081 CE1 PHE A 67 174.953 -5.982 2.345 1.00 0.00 C ATOM 1082 CE2 PHE A 67 172.820 -6.963 1.894 1.00 0.00 C ATOM 1083 CZ PHE A 67 173.574 -5.905 2.363 1.00 0.00 C ATOM 0 H PHE A 67 176.540 -11.326 -0.341 1.00 0.00 H new ATOM 0 HA PHE A 67 175.322 -8.956 -1.230 1.00 0.00 H new ATOM 0 HB2 PHE A 67 174.789 -10.245 0.850 1.00 0.00 H new ATOM 0 HB3 PHE A 67 176.304 -9.711 1.550 1.00 0.00 H new ATOM 0 HD1 PHE A 67 176.654 -7.170 1.848 1.00 0.00 H new ATOM 0 HD2 PHE A 67 172.852 -8.918 1.039 1.00 0.00 H new ATOM 0 HE1 PHE A 67 175.545 -5.156 2.711 1.00 0.00 H new ATOM 0 HE2 PHE A 67 171.742 -6.906 1.908 1.00 0.00 H new ATOM 0 HZ PHE A 67 173.086 -5.019 2.743 1.00 0.00 H new ATOM 1093 N GLY A 68 178.369 -8.601 0.015 1.00 0.00 N ATOM 1094 CA GLY A 68 179.503 -7.693 0.073 1.00 0.00 C ATOM 1095 C GLY A 68 180.009 -7.293 -1.305 1.00 0.00 C ATOM 1096 O GLY A 68 180.490 -6.173 -1.489 1.00 0.00 O ATOM 0 H GLY A 68 178.537 -9.518 0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 68 179.217 -6.797 0.624 1.00 0.00 H new ATOM 0 HA3 GLY A 68 180.313 -8.165 0.629 1.00 0.00 H new ATOM 1100 N ALA A 69 179.894 -8.207 -2.276 1.00 0.00 N ATOM 1101 CA ALA A 69 180.340 -7.940 -3.646 1.00 0.00 C ATOM 1102 C ALA A 69 179.597 -6.749 -4.253 1.00 0.00 C ATOM 1103 O ALA A 69 180.181 -5.958 -4.998 1.00 0.00 O ATOM 1104 CB ALA A 69 180.157 -9.176 -4.519 1.00 0.00 C ATOM 0 H ALA A 69 179.496 -9.136 -2.137 1.00 0.00 H new ATOM 0 HA ALA A 69 181.400 -7.690 -3.606 1.00 0.00 H new ATOM 0 HB1 ALA A 69 180.494 -8.959 -5.533 1.00 0.00 H new ATOM 0 HB2 ALA A 69 180.743 -10.000 -4.111 1.00 0.00 H new ATOM 0 HB3 ALA A 69 179.103 -9.455 -4.539 1.00 0.00 H new ATOM 1110 N ASP A 70 178.310 -6.624 -3.929 1.00 0.00 N ATOM 1111 CA ASP A 70 177.491 -5.524 -4.437 1.00 0.00 C ATOM 1112 C ASP A 70 177.794 -4.221 -3.695 1.00 0.00 C ATOM 1113 O ASP A 70 177.732 -3.139 -4.282 1.00 0.00 O ATOM 1114 CB ASP A 70 176.004 -5.865 -4.314 1.00 0.00 C ATOM 1115 CG ASP A 70 175.533 -6.814 -5.401 1.00 0.00 C ATOM 1116 OD1 ASP A 70 176.007 -7.971 -5.427 1.00 0.00 O ATOM 1117 OD2 ASP A 70 174.687 -6.403 -6.223 1.00 0.00 O ATOM 0 H ASP A 70 177.812 -7.271 -3.317 1.00 0.00 H new ATOM 0 HA ASP A 70 177.737 -5.382 -5.489 1.00 0.00 H new ATOM 0 HB2 ASP A 70 175.817 -6.314 -3.338 1.00 0.00 H new ATOM 0 HB3 ASP A 70 175.419 -4.946 -4.360 1.00 0.00 H new ATOM 1122 N VAL A 71 178.126 -4.329 -2.405 1.00 0.00 N ATOM 1123 CA VAL A 71 178.442 -3.153 -1.593 1.00 0.00 C ATOM 1124 C VAL A 71 179.709 -2.463 -2.101 1.00 0.00 C ATOM 1125 O VAL A 71 179.722 -1.246 -2.299 1.00 0.00 O ATOM 1126 CB VAL A 71 178.631 -3.518 -0.102 1.00 0.00 C ATOM 1127 CG1 VAL A 71 178.828 -2.262 0.738 1.00 0.00 C ATOM 1128 CG2 VAL A 71 177.448 -4.330 0.414 1.00 0.00 C ATOM 0 H VAL A 71 178.182 -5.215 -1.903 1.00 0.00 H new ATOM 0 HA VAL A 71 177.594 -2.474 -1.682 1.00 0.00 H new ATOM 0 HB VAL A 71 179.527 -4.133 -0.015 1.00 0.00 H new ATOM 0 HG11 VAL A 71 178.959 -2.540 1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 71 179.712 -1.727 0.391 1.00 0.00 H new ATOM 0 HG13 VAL A 71 177.954 -1.618 0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 71 177.605 -4.574 1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 71 176.533 -3.747 0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 71 177.359 -5.250 -0.163 1.00 0.00 H new ATOM 1138 N ARG A 72 180.769 -3.246 -2.322 1.00 0.00 N ATOM 1139 CA ARG A 72 182.035 -2.701 -2.819 1.00 0.00 C ATOM 1140 C ARG A 72 181.852 -2.095 -4.212 1.00 0.00 C ATOM 1141 O ARG A 72 182.457 -1.071 -4.535 1.00 0.00 O ATOM 1142 CB ARG A 72 183.132 -3.777 -2.840 1.00 0.00 C ATOM 1143 CG ARG A 72 182.744 -5.051 -3.578 1.00 0.00 C ATOM 1144 CD ARG A 72 183.389 -5.120 -4.954 1.00 0.00 C ATOM 1145 NE ARG A 72 184.672 -5.826 -4.932 1.00 0.00 N ATOM 1146 CZ ARG A 72 185.424 -6.043 -6.015 1.00 0.00 C ATOM 1147 NH1 ARG A 72 185.031 -5.607 -7.209 1.00 0.00 N ATOM 1148 NH2 ARG A 72 186.576 -6.698 -5.902 1.00 0.00 N ATOM 0 H ARG A 72 180.776 -4.254 -2.166 1.00 0.00 H new ATOM 0 HA ARG A 72 182.350 -1.912 -2.136 1.00 0.00 H new ATOM 0 HB2 ARG A 72 184.026 -3.360 -3.304 1.00 0.00 H new ATOM 0 HB3 ARG A 72 183.395 -4.031 -1.813 1.00 0.00 H new ATOM 0 HG2 ARG A 72 183.045 -5.918 -2.991 1.00 0.00 H new ATOM 0 HG3 ARG A 72 181.660 -5.097 -3.681 1.00 0.00 H new ATOM 0 HD2 ARG A 72 182.712 -5.622 -5.645 1.00 0.00 H new ATOM 0 HD3 ARG A 72 183.540 -4.109 -5.333 1.00 0.00 H new ATOM 0 HE ARG A 72 185.012 -6.173 -4.035 1.00 0.00 H new ATOM 0 HH11 ARG A 72 184.149 -5.103 -7.303 1.00 0.00 H new ATOM 0 HH12 ARG A 72 185.611 -5.777 -8.030 1.00 0.00 H new ATOM 0 HH21 ARG A 72 186.884 -7.034 -4.990 1.00 0.00 H new ATOM 0 HH22 ARG A 72 187.151 -6.864 -6.728 1.00 0.00 H new ATOM 1162 N LEU A 73 180.998 -2.723 -5.025 1.00 0.00 N ATOM 1163 CA LEU A 73 180.717 -2.236 -6.374 1.00 0.00 C ATOM 1164 C LEU A 73 180.017 -0.876 -6.313 1.00 0.00 C ATOM 1165 O LEU A 73 180.402 0.060 -7.016 1.00 0.00 O ATOM 1166 CB LEU A 73 179.846 -3.248 -7.132 1.00 0.00 C ATOM 1167 CG LEU A 73 179.500 -2.873 -8.579 1.00 0.00 C ATOM 1168 CD1 LEU A 73 180.280 -3.739 -9.559 1.00 0.00 C ATOM 1169 CD2 LEU A 73 178.002 -3.009 -8.818 1.00 0.00 C ATOM 0 H LEU A 73 180.490 -3.570 -4.770 1.00 0.00 H new ATOM 0 HA LEU A 73 181.661 -2.118 -6.906 1.00 0.00 H new ATOM 0 HB2 LEU A 73 180.359 -4.210 -7.138 1.00 0.00 H new ATOM 0 HB3 LEU A 73 178.917 -3.386 -6.579 1.00 0.00 H new ATOM 0 HG LEU A 73 179.783 -1.833 -8.743 1.00 0.00 H new ATOM 0 HD11 LEU A 73 180.021 -3.458 -10.580 1.00 0.00 H new ATOM 0 HD12 LEU A 73 181.349 -3.593 -9.403 1.00 0.00 H new ATOM 0 HD13 LEU A 73 180.030 -4.787 -9.397 1.00 0.00 H new ATOM 0 HD21 LEU A 73 177.772 -2.740 -9.849 1.00 0.00 H new ATOM 0 HD22 LEU A 73 177.696 -4.039 -8.635 1.00 0.00 H new ATOM 0 HD23 LEU A 73 177.464 -2.346 -8.141 1.00 0.00 H new ATOM 1181 N MET A 74 178.993 -0.778 -5.460 1.00 0.00 N ATOM 1182 CA MET A 74 178.234 0.463 -5.292 1.00 0.00 C ATOM 1183 C MET A 74 179.132 1.604 -4.814 1.00 0.00 C ATOM 1184 O MET A 74 179.083 2.706 -5.359 1.00 0.00 O ATOM 1185 CB MET A 74 177.089 0.256 -4.296 1.00 0.00 C ATOM 1186 CG MET A 74 176.005 1.320 -4.383 1.00 0.00 C ATOM 1187 SD MET A 74 175.493 1.927 -2.764 1.00 0.00 S ATOM 1188 CE MET A 74 176.814 3.081 -2.403 1.00 0.00 C ATOM 0 H MET A 74 178.670 -1.547 -4.873 1.00 0.00 H new ATOM 0 HA MET A 74 177.823 0.734 -6.265 1.00 0.00 H new ATOM 0 HB2 MET A 74 176.641 -0.722 -4.469 1.00 0.00 H new ATOM 0 HB3 MET A 74 177.496 0.246 -3.285 1.00 0.00 H new ATOM 0 HG2 MET A 74 176.369 2.155 -4.981 1.00 0.00 H new ATOM 0 HG3 MET A 74 175.139 0.909 -4.903 1.00 0.00 H new ATOM 0 HE1 MET A 74 176.640 3.541 -1.430 1.00 0.00 H new ATOM 0 HE2 MET A 74 177.766 2.551 -2.389 1.00 0.00 H new ATOM 0 HE3 MET A 74 176.841 3.855 -3.170 1.00 0.00 H new ATOM 1198 N PHE A 75 179.957 1.333 -3.801 1.00 0.00 N ATOM 1199 CA PHE A 75 180.867 2.346 -3.268 1.00 0.00 C ATOM 1200 C PHE A 75 181.888 2.766 -4.326 1.00 0.00 C ATOM 1201 O PHE A 75 182.281 3.933 -4.386 1.00 0.00 O ATOM 1202 CB PHE A 75 181.585 1.833 -2.015 1.00 0.00 C ATOM 1203 CG PHE A 75 180.869 2.169 -0.735 1.00 0.00 C ATOM 1204 CD1 PHE A 75 179.770 1.430 -0.328 1.00 0.00 C ATOM 1205 CD2 PHE A 75 181.293 3.225 0.058 1.00 0.00 C ATOM 1206 CE1 PHE A 75 179.107 1.736 0.845 1.00 0.00 C ATOM 1207 CE2 PHE A 75 180.633 3.536 1.232 1.00 0.00 C ATOM 1208 CZ PHE A 75 179.539 2.791 1.626 1.00 0.00 C ATOM 0 H PHE A 75 180.013 0.427 -3.336 1.00 0.00 H new ATOM 0 HA PHE A 75 180.273 3.217 -2.992 1.00 0.00 H new ATOM 0 HB2 PHE A 75 181.697 0.751 -2.087 1.00 0.00 H new ATOM 0 HB3 PHE A 75 182.589 2.256 -1.982 1.00 0.00 H new ATOM 0 HD1 PHE A 75 179.427 0.605 -0.935 1.00 0.00 H new ATOM 0 HD2 PHE A 75 182.148 3.811 -0.245 1.00 0.00 H new ATOM 0 HE1 PHE A 75 178.252 1.151 1.151 1.00 0.00 H new ATOM 0 HE2 PHE A 75 180.973 4.361 1.841 1.00 0.00 H new ATOM 0 HZ PHE A 75 179.022 3.032 2.543 1.00 0.00 H new ATOM 1218 N SER A 76 182.312 1.810 -5.163 1.00 0.00 N ATOM 1219 CA SER A 76 183.283 2.085 -6.221 1.00 0.00 C ATOM 1220 C SER A 76 182.760 3.149 -7.191 1.00 0.00 C ATOM 1221 O SER A 76 183.477 4.097 -7.518 1.00 0.00 O ATOM 1222 CB SER A 76 183.632 0.802 -6.987 1.00 0.00 C ATOM 1223 OG SER A 76 184.780 0.175 -6.438 1.00 0.00 O ATOM 0 H SER A 76 181.996 0.841 -5.125 1.00 0.00 H new ATOM 0 HA SER A 76 184.186 2.468 -5.746 1.00 0.00 H new ATOM 0 HB2 SER A 76 182.787 0.114 -6.954 1.00 0.00 H new ATOM 0 HB3 SER A 76 183.810 1.038 -8.036 1.00 0.00 H new ATOM 0 HG SER A 76 184.980 -0.641 -6.943 1.00 0.00 H new ATOM 1229 N ASN A 77 181.507 3.000 -7.641 1.00 0.00 N ATOM 1230 CA ASN A 77 180.911 3.974 -8.563 1.00 0.00 C ATOM 1231 C ASN A 77 180.524 5.253 -7.821 1.00 0.00 C ATOM 1232 O ASN A 77 180.664 6.354 -8.357 1.00 0.00 O ATOM 1233 CB ASN A 77 179.694 3.387 -9.302 1.00 0.00 C ATOM 1234 CG ASN A 77 178.605 2.864 -8.380 1.00 0.00 C ATOM 1235 OD1 ASN A 77 178.493 1.660 -8.162 1.00 0.00 O ATOM 1236 ND2 ASN A 77 177.783 3.764 -7.848 1.00 0.00 N ATOM 0 H ASN A 77 180.894 2.226 -7.386 1.00 0.00 H new ATOM 0 HA ASN A 77 181.664 4.220 -9.312 1.00 0.00 H new ATOM 0 HB2 ASN A 77 179.270 4.154 -9.950 1.00 0.00 H new ATOM 0 HB3 ASN A 77 180.030 2.576 -9.947 1.00 0.00 H new ATOM 0 HD21 ASN A 77 177.026 3.463 -7.234 1.00 0.00 H new ATOM 0 HD22 ASN A 77 177.910 4.755 -8.054 1.00 0.00 H new ATOM 1243 N CYS A 78 180.049 5.100 -6.581 1.00 0.00 N ATOM 1244 CA CYS A 78 179.656 6.247 -5.758 1.00 0.00 C ATOM 1245 C CYS A 78 180.836 7.195 -5.549 1.00 0.00 C ATOM 1246 O CYS A 78 180.676 8.412 -5.603 1.00 0.00 O ATOM 1247 CB CYS A 78 179.110 5.789 -4.400 1.00 0.00 C ATOM 1248 SG CYS A 78 177.806 6.852 -3.735 1.00 0.00 S ATOM 0 H CYS A 78 179.928 4.195 -6.126 1.00 0.00 H new ATOM 0 HA CYS A 78 178.867 6.779 -6.289 1.00 0.00 H new ATOM 0 HB2 CYS A 78 178.723 4.775 -4.499 1.00 0.00 H new ATOM 0 HB3 CYS A 78 179.931 5.748 -3.685 1.00 0.00 H new ATOM 0 HG CYS A 78 178.240 8.075 -3.657 1.00 0.00 H new ATOM 1254 N TYR A 79 182.021 6.626 -5.319 1.00 0.00 N ATOM 1255 CA TYR A 79 183.234 7.421 -5.110 1.00 0.00 C ATOM 1256 C TYR A 79 183.510 8.342 -6.303 1.00 0.00 C ATOM 1257 O TYR A 79 183.985 9.465 -6.129 1.00 0.00 O ATOM 1258 CB TYR A 79 184.441 6.507 -4.865 1.00 0.00 C ATOM 1259 CG TYR A 79 185.561 7.170 -4.090 1.00 0.00 C ATOM 1260 CD1 TYR A 79 185.479 7.327 -2.711 1.00 0.00 C ATOM 1261 CD2 TYR A 79 186.699 7.638 -4.736 1.00 0.00 C ATOM 1262 CE1 TYR A 79 186.499 7.932 -2.000 1.00 0.00 C ATOM 1263 CE2 TYR A 79 187.722 8.243 -4.032 1.00 0.00 C ATOM 1264 CZ TYR A 79 187.618 8.387 -2.664 1.00 0.00 C ATOM 1265 OH TYR A 79 188.635 8.989 -1.958 1.00 0.00 O ATOM 0 H TYR A 79 182.167 5.618 -5.273 1.00 0.00 H new ATOM 0 HA TYR A 79 183.073 8.043 -4.229 1.00 0.00 H new ATOM 0 HB2 TYR A 79 184.110 5.621 -4.322 1.00 0.00 H new ATOM 0 HB3 TYR A 79 184.828 6.166 -5.825 1.00 0.00 H new ATOM 0 HD1 TYR A 79 184.605 6.971 -2.187 1.00 0.00 H new ATOM 0 HD2 TYR A 79 186.785 7.527 -5.807 1.00 0.00 H new ATOM 0 HE1 TYR A 79 186.419 8.048 -0.929 1.00 0.00 H new ATOM 0 HE2 TYR A 79 188.599 8.602 -4.550 1.00 0.00 H new ATOM 0 HH TYR A 79 189.350 9.251 -2.574 1.00 0.00 H new ATOM 1275 N LYS A 80 183.203 7.863 -7.512 1.00 0.00 N ATOM 1276 CA LYS A 80 183.413 8.648 -8.728 1.00 0.00 C ATOM 1277 C LYS A 80 182.489 9.868 -8.758 1.00 0.00 C ATOM 1278 O LYS A 80 182.900 10.954 -9.170 1.00 0.00 O ATOM 1279 CB LYS A 80 183.182 7.781 -9.973 1.00 0.00 C ATOM 1280 CG LYS A 80 183.617 8.446 -11.272 1.00 0.00 C ATOM 1281 CD LYS A 80 183.507 7.493 -12.454 1.00 0.00 C ATOM 1282 CE LYS A 80 184.148 8.076 -13.707 1.00 0.00 C ATOM 1283 NZ LYS A 80 185.079 7.113 -14.365 1.00 0.00 N ATOM 0 H LYS A 80 182.809 6.936 -7.673 1.00 0.00 H new ATOM 0 HA LYS A 80 184.445 8.998 -8.729 1.00 0.00 H new ATOM 0 HB2 LYS A 80 183.724 6.842 -9.857 1.00 0.00 H new ATOM 0 HB3 LYS A 80 182.123 7.532 -10.040 1.00 0.00 H new ATOM 0 HG2 LYS A 80 183.001 9.326 -11.455 1.00 0.00 H new ATOM 0 HG3 LYS A 80 184.646 8.792 -11.177 1.00 0.00 H new ATOM 0 HD2 LYS A 80 183.988 6.547 -12.205 1.00 0.00 H new ATOM 0 HD3 LYS A 80 182.457 7.275 -12.650 1.00 0.00 H new ATOM 0 HE2 LYS A 80 183.368 8.364 -14.412 1.00 0.00 H new ATOM 0 HE3 LYS A 80 184.692 8.984 -13.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 185.491 7.553 -15.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 185.839 6.858 -13.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 184.556 6.257 -14.639 1.00 0.00 H new ATOM 1297 N TYR A 81 181.243 9.684 -8.314 1.00 0.00 N ATOM 1298 CA TYR A 81 180.266 10.774 -8.287 1.00 0.00 C ATOM 1299 C TYR A 81 180.462 11.665 -7.056 1.00 0.00 C ATOM 1300 O TYR A 81 180.320 12.886 -7.142 1.00 0.00 O ATOM 1301 CB TYR A 81 178.839 10.216 -8.303 1.00 0.00 C ATOM 1302 CG TYR A 81 177.817 11.164 -8.897 1.00 0.00 C ATOM 1303 CD1 TYR A 81 177.429 12.316 -8.219 1.00 0.00 C ATOM 1304 CD2 TYR A 81 177.239 10.908 -10.134 1.00 0.00 C ATOM 1305 CE1 TYR A 81 176.496 13.181 -8.758 1.00 0.00 C ATOM 1306 CE2 TYR A 81 176.306 11.769 -10.679 1.00 0.00 C ATOM 1307 CZ TYR A 81 175.938 12.903 -9.988 1.00 0.00 C ATOM 1308 OH TYR A 81 175.006 13.761 -10.528 1.00 0.00 O ATOM 0 H TYR A 81 180.888 8.792 -7.969 1.00 0.00 H new ATOM 0 HA TYR A 81 180.423 11.381 -9.179 1.00 0.00 H new ATOM 0 HB2 TYR A 81 178.829 9.285 -8.870 1.00 0.00 H new ATOM 0 HB3 TYR A 81 178.543 9.971 -7.283 1.00 0.00 H new ATOM 0 HD1 TYR A 81 177.864 12.537 -7.256 1.00 0.00 H new ATOM 0 HD2 TYR A 81 177.524 10.020 -10.679 1.00 0.00 H new ATOM 0 HE1 TYR A 81 176.205 14.070 -8.219 1.00 0.00 H new ATOM 0 HE2 TYR A 81 175.867 11.554 -11.642 1.00 0.00 H new ATOM 0 HH TYR A 81 174.713 13.420 -11.399 1.00 0.00 H new ATOM 1318 N ASN A 82 180.781 11.046 -5.914 1.00 0.00 N ATOM 1319 CA ASN A 82 180.990 11.780 -4.660 1.00 0.00 C ATOM 1320 C ASN A 82 182.090 12.832 -4.814 1.00 0.00 C ATOM 1321 O ASN A 82 183.267 12.492 -4.954 1.00 0.00 O ATOM 1322 CB ASN A 82 181.354 10.814 -3.524 1.00 0.00 C ATOM 1323 CG ASN A 82 180.158 10.040 -2.993 1.00 0.00 C ATOM 1324 OD1 ASN A 82 179.079 10.053 -3.586 1.00 0.00 O ATOM 1325 ND2 ASN A 82 180.343 9.358 -1.865 1.00 0.00 N ATOM 0 H ASN A 82 180.900 10.036 -5.832 1.00 0.00 H new ATOM 0 HA ASN A 82 180.057 12.286 -4.414 1.00 0.00 H new ATOM 0 HB2 ASN A 82 182.106 10.110 -3.881 1.00 0.00 H new ATOM 0 HB3 ASN A 82 181.807 11.377 -2.708 1.00 0.00 H new ATOM 0 HD21 ASN A 82 179.575 8.821 -1.462 1.00 0.00 H new ATOM 0 HD22 ASN A 82 181.253 9.373 -1.404 1.00 0.00 H new ATOM 1332 N PRO A 83 181.720 14.129 -4.789 1.00 0.00 N ATOM 1333 CA PRO A 83 182.682 15.231 -4.928 1.00 0.00 C ATOM 1334 C PRO A 83 183.612 15.349 -3.721 1.00 0.00 C ATOM 1335 O PRO A 83 183.195 15.122 -2.585 1.00 0.00 O ATOM 1336 CB PRO A 83 181.792 16.472 -5.041 1.00 0.00 C ATOM 1337 CG PRO A 83 180.520 16.091 -4.368 1.00 0.00 C ATOM 1338 CD PRO A 83 180.338 14.622 -4.626 1.00 0.00 C ATOM 0 HA PRO A 83 183.343 15.086 -5.782 1.00 0.00 H new ATOM 0 HB2 PRO A 83 182.252 17.334 -4.558 1.00 0.00 H new ATOM 0 HB3 PRO A 83 181.622 16.743 -6.083 1.00 0.00 H new ATOM 0 HG2 PRO A 83 180.568 16.296 -3.299 1.00 0.00 H new ATOM 0 HG3 PRO A 83 179.682 16.664 -4.765 1.00 0.00 H new ATOM 0 HD2 PRO A 83 179.831 14.128 -3.797 1.00 0.00 H new ATOM 0 HD3 PRO A 83 179.739 14.442 -5.519 1.00 0.00 H new ATOM 1346 N PRO A 84 184.892 15.708 -3.955 1.00 0.00 N ATOM 1347 CA PRO A 84 185.885 15.855 -2.880 1.00 0.00 C ATOM 1348 C PRO A 84 185.416 16.807 -1.778 1.00 0.00 C ATOM 1349 O PRO A 84 184.931 17.904 -2.062 1.00 0.00 O ATOM 1350 CB PRO A 84 187.109 16.430 -3.598 1.00 0.00 C ATOM 1351 CG PRO A 84 186.950 16.014 -5.019 1.00 0.00 C ATOM 1352 CD PRO A 84 185.470 15.996 -5.282 1.00 0.00 C ATOM 0 HA PRO A 84 186.077 14.909 -2.375 1.00 0.00 H new ATOM 0 HB2 PRO A 84 187.147 17.515 -3.506 1.00 0.00 H new ATOM 0 HB3 PRO A 84 188.035 16.041 -3.174 1.00 0.00 H new ATOM 0 HG2 PRO A 84 187.457 16.709 -5.688 1.00 0.00 H new ATOM 0 HG3 PRO A 84 187.389 15.031 -5.189 1.00 0.00 H new ATOM 0 HD2 PRO A 84 185.120 16.951 -5.675 1.00 0.00 H new ATOM 0 HD3 PRO A 84 185.201 15.233 -6.012 1.00 0.00 H new ATOM 1360 N ASP A 85 185.565 16.373 -0.523 1.00 0.00 N ATOM 1361 CA ASP A 85 185.160 17.173 0.637 1.00 0.00 C ATOM 1362 C ASP A 85 183.649 17.438 0.622 1.00 0.00 C ATOM 1363 O ASP A 85 183.203 18.573 0.435 1.00 0.00 O ATOM 1364 CB ASP A 85 185.945 18.496 0.678 1.00 0.00 C ATOM 1365 CG ASP A 85 186.695 18.703 1.985 1.00 0.00 C ATOM 1366 OD1 ASP A 85 187.207 17.710 2.547 1.00 0.00 O ATOM 1367 OD2 ASP A 85 186.776 19.862 2.443 1.00 0.00 O ATOM 0 H ASP A 85 185.966 15.466 -0.283 1.00 0.00 H new ATOM 0 HA ASP A 85 185.391 16.606 1.539 1.00 0.00 H new ATOM 0 HB2 ASP A 85 186.655 18.516 -0.149 1.00 0.00 H new ATOM 0 HB3 ASP A 85 185.255 19.326 0.526 1.00 0.00 H new ATOM 1372 N HIS A 86 182.867 16.373 0.818 1.00 0.00 N ATOM 1373 CA HIS A 86 181.407 16.474 0.825 1.00 0.00 C ATOM 1374 C HIS A 86 180.806 15.694 1.997 1.00 0.00 C ATOM 1375 O HIS A 86 181.410 14.740 2.493 1.00 0.00 O ATOM 1376 CB HIS A 86 180.840 15.947 -0.497 1.00 0.00 C ATOM 1377 CG HIS A 86 179.537 16.570 -0.896 1.00 0.00 C ATOM 1378 ND1 HIS A 86 178.653 15.965 -1.763 1.00 0.00 N ATOM 1379 CD2 HIS A 86 178.970 17.751 -0.549 1.00 0.00 C ATOM 1380 CE1 HIS A 86 177.600 16.743 -1.932 1.00 0.00 C ATOM 1381 NE2 HIS A 86 177.767 17.833 -1.206 1.00 0.00 N ATOM 0 H HIS A 86 183.222 15.430 0.974 1.00 0.00 H new ATOM 0 HA HIS A 86 181.140 17.524 0.941 1.00 0.00 H new ATOM 0 HB2 HIS A 86 181.570 16.120 -1.288 1.00 0.00 H new ATOM 0 HB3 HIS A 86 180.705 14.868 -0.418 1.00 0.00 H new ATOM 0 HD2 HIS A 86 179.387 18.490 0.120 1.00 0.00 H new ATOM 0 HE1 HIS A 86 176.747 16.525 -2.558 1.00 0.00 H new ATOM 0 HE2 HIS A 86 177.109 18.610 -1.143 1.00 0.00 H new ATOM 1390 N GLU A 87 179.609 16.105 2.430 1.00 0.00 N ATOM 1391 CA GLU A 87 178.916 15.448 3.542 1.00 0.00 C ATOM 1392 C GLU A 87 178.718 13.957 3.268 1.00 0.00 C ATOM 1393 O GLU A 87 178.954 13.122 4.143 1.00 0.00 O ATOM 1394 CB GLU A 87 177.554 16.107 3.788 1.00 0.00 C ATOM 1395 CG GLU A 87 177.490 16.931 5.068 1.00 0.00 C ATOM 1396 CD GLU A 87 176.311 16.566 5.958 1.00 0.00 C ATOM 1397 OE1 GLU A 87 175.225 16.257 5.421 1.00 0.00 O ATOM 1398 OE2 GLU A 87 176.475 16.596 7.195 1.00 0.00 O ATOM 0 H GLU A 87 179.100 16.891 2.026 1.00 0.00 H new ATOM 0 HA GLU A 87 179.539 15.559 4.430 1.00 0.00 H new ATOM 0 HB2 GLU A 87 177.314 16.750 2.941 1.00 0.00 H new ATOM 0 HB3 GLU A 87 176.788 15.332 3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 87 178.415 16.794 5.627 1.00 0.00 H new ATOM 0 HG3 GLU A 87 177.428 17.988 4.809 1.00 0.00 H new ATOM 1405 N VAL A 88 178.288 13.632 2.046 1.00 0.00 N ATOM 1406 CA VAL A 88 178.062 12.240 1.656 1.00 0.00 C ATOM 1407 C VAL A 88 179.369 11.444 1.636 1.00 0.00 C ATOM 1408 O VAL A 88 179.373 10.243 1.910 1.00 0.00 O ATOM 1409 CB VAL A 88 177.375 12.125 0.274 1.00 0.00 C ATOM 1410 CG1 VAL A 88 175.907 12.519 0.367 1.00 0.00 C ATOM 1411 CG2 VAL A 88 178.094 12.967 -0.776 1.00 0.00 C ATOM 0 H VAL A 88 178.090 14.312 1.312 1.00 0.00 H new ATOM 0 HA VAL A 88 177.397 11.819 2.410 1.00 0.00 H new ATOM 0 HB VAL A 88 177.433 11.083 -0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 88 175.444 12.431 -0.616 1.00 0.00 H new ATOM 0 HG12 VAL A 88 175.397 11.859 1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 88 175.828 13.549 0.714 1.00 0.00 H new ATOM 0 HG21 VAL A 88 177.586 12.864 -1.735 1.00 0.00 H new ATOM 0 HG22 VAL A 88 178.085 14.014 -0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 88 179.125 12.626 -0.873 1.00 0.00 H new ATOM 1421 N VAL A 89 180.476 12.120 1.316 1.00 0.00 N ATOM 1422 CA VAL A 89 181.786 11.472 1.269 1.00 0.00 C ATOM 1423 C VAL A 89 182.230 11.047 2.668 1.00 0.00 C ATOM 1424 O VAL A 89 182.673 9.914 2.869 1.00 0.00 O ATOM 1425 CB VAL A 89 182.859 12.398 0.653 1.00 0.00 C ATOM 1426 CG1 VAL A 89 184.174 11.653 0.477 1.00 0.00 C ATOM 1427 CG2 VAL A 89 182.386 12.973 -0.677 1.00 0.00 C ATOM 0 H VAL A 89 180.489 13.114 1.086 1.00 0.00 H new ATOM 0 HA VAL A 89 181.683 10.591 0.636 1.00 0.00 H new ATOM 0 HB VAL A 89 183.023 13.228 1.341 1.00 0.00 H new ATOM 0 HG11 VAL A 89 184.916 12.322 0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 89 184.526 11.302 1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 89 184.023 10.800 -0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 89 183.160 13.621 -1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 89 182.185 12.160 -1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 89 181.475 13.550 -0.520 1.00 0.00 H new ATOM 1437 N ALA A 90 182.102 11.961 3.635 1.00 0.00 N ATOM 1438 CA ALA A 90 182.482 11.675 5.020 1.00 0.00 C ATOM 1439 C ALA A 90 181.665 10.511 5.579 1.00 0.00 C ATOM 1440 O ALA A 90 182.197 9.651 6.284 1.00 0.00 O ATOM 1441 CB ALA A 90 182.306 12.912 5.890 1.00 0.00 C ATOM 0 H ALA A 90 181.739 12.902 3.484 1.00 0.00 H new ATOM 0 HA ALA A 90 183.534 11.390 5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 90 182.593 12.680 6.915 1.00 0.00 H new ATOM 0 HB2 ALA A 90 182.936 13.717 5.510 1.00 0.00 H new ATOM 0 HB3 ALA A 90 181.263 13.227 5.868 1.00 0.00 H new ATOM 1447 N MET A 91 180.371 10.487 5.250 1.00 0.00 N ATOM 1448 CA MET A 91 179.477 9.426 5.709 1.00 0.00 C ATOM 1449 C MET A 91 179.881 8.072 5.119 1.00 0.00 C ATOM 1450 O MET A 91 179.784 7.045 5.792 1.00 0.00 O ATOM 1451 CB MET A 91 178.025 9.747 5.335 1.00 0.00 C ATOM 1452 CG MET A 91 177.357 10.743 6.270 1.00 0.00 C ATOM 1453 SD MET A 91 176.218 11.844 5.410 1.00 0.00 S ATOM 1454 CE MET A 91 175.647 12.864 6.767 1.00 0.00 C ATOM 0 H MET A 91 179.920 11.192 4.667 1.00 0.00 H new ATOM 0 HA MET A 91 179.559 9.367 6.794 1.00 0.00 H new ATOM 0 HB2 MET A 91 178.000 10.143 4.320 1.00 0.00 H new ATOM 0 HB3 MET A 91 177.448 8.823 5.331 1.00 0.00 H new ATOM 0 HG2 MET A 91 176.816 10.201 7.046 1.00 0.00 H new ATOM 0 HG3 MET A 91 178.123 11.336 6.770 1.00 0.00 H new ATOM 0 HE1 MET A 91 174.933 13.598 6.395 1.00 0.00 H new ATOM 0 HE2 MET A 91 175.165 12.236 7.516 1.00 0.00 H new ATOM 0 HE3 MET A 91 176.496 13.379 7.217 1.00 0.00 H new ATOM 1464 N ALA A 92 180.337 8.079 3.861 1.00 0.00 N ATOM 1465 CA ALA A 92 180.759 6.851 3.181 1.00 0.00 C ATOM 1466 C ALA A 92 181.864 6.134 3.957 1.00 0.00 C ATOM 1467 O ALA A 92 181.785 4.925 4.185 1.00 0.00 O ATOM 1468 CB ALA A 92 181.223 7.162 1.763 1.00 0.00 C ATOM 0 H ALA A 92 180.423 8.922 3.294 1.00 0.00 H new ATOM 0 HA ALA A 92 179.898 6.184 3.133 1.00 0.00 H new ATOM 0 HB1 ALA A 92 181.533 6.240 1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 92 180.404 7.614 1.203 1.00 0.00 H new ATOM 0 HB3 ALA A 92 182.064 7.855 1.799 1.00 0.00 H new ATOM 1474 N ARG A 93 182.891 6.886 4.365 1.00 0.00 N ATOM 1475 CA ARG A 93 184.010 6.317 5.122 1.00 0.00 C ATOM 1476 C ARG A 93 183.521 5.709 6.436 1.00 0.00 C ATOM 1477 O ARG A 93 183.868 4.575 6.770 1.00 0.00 O ATOM 1478 CB ARG A 93 185.076 7.384 5.399 1.00 0.00 C ATOM 1479 CG ARG A 93 186.140 7.479 4.315 1.00 0.00 C ATOM 1480 CD ARG A 93 185.711 8.404 3.186 1.00 0.00 C ATOM 1481 NE ARG A 93 186.834 8.784 2.328 1.00 0.00 N ATOM 1482 CZ ARG A 93 187.760 9.690 2.659 1.00 0.00 C ATOM 1483 NH1 ARG A 93 187.708 10.314 3.835 1.00 0.00 N ATOM 1484 NH2 ARG A 93 188.744 9.971 1.812 1.00 0.00 N ATOM 0 H ARG A 93 182.971 7.887 4.184 1.00 0.00 H new ATOM 0 HA ARG A 93 184.457 5.527 4.519 1.00 0.00 H new ATOM 0 HB2 ARG A 93 184.589 8.353 5.504 1.00 0.00 H new ATOM 0 HB3 ARG A 93 185.558 7.165 6.352 1.00 0.00 H new ATOM 0 HG2 ARG A 93 187.071 7.843 4.750 1.00 0.00 H new ATOM 0 HG3 ARG A 93 186.342 6.485 3.915 1.00 0.00 H new ATOM 0 HD2 ARG A 93 184.947 7.911 2.585 1.00 0.00 H new ATOM 0 HD3 ARG A 93 185.257 9.301 3.606 1.00 0.00 H new ATOM 0 HE ARG A 93 186.916 8.328 1.419 1.00 0.00 H new ATOM 0 HH11 ARG A 93 186.957 10.102 4.492 1.00 0.00 H new ATOM 0 HH12 ARG A 93 188.419 11.004 4.078 1.00 0.00 H new ATOM 0 HH21 ARG A 93 188.792 9.496 0.911 1.00 0.00 H new ATOM 0 HH22 ARG A 93 189.451 10.662 2.063 1.00 0.00 H new ATOM 1498 N LYS A 94 182.703 6.466 7.171 1.00 0.00 N ATOM 1499 CA LYS A 94 182.154 5.997 8.443 1.00 0.00 C ATOM 1500 C LYS A 94 181.280 4.756 8.235 1.00 0.00 C ATOM 1501 O LYS A 94 181.309 3.827 9.044 1.00 0.00 O ATOM 1502 CB LYS A 94 181.341 7.107 9.117 1.00 0.00 C ATOM 1503 CG LYS A 94 181.254 6.970 10.631 1.00 0.00 C ATOM 1504 CD LYS A 94 181.735 8.231 11.335 1.00 0.00 C ATOM 1505 CE LYS A 94 181.564 8.132 12.845 1.00 0.00 C ATOM 1506 NZ LYS A 94 182.830 7.748 13.533 1.00 0.00 N ATOM 0 H LYS A 94 182.407 7.406 6.906 1.00 0.00 H new ATOM 0 HA LYS A 94 182.987 5.727 9.092 1.00 0.00 H new ATOM 0 HB2 LYS A 94 181.788 8.071 8.874 1.00 0.00 H new ATOM 0 HB3 LYS A 94 180.333 7.109 8.703 1.00 0.00 H new ATOM 0 HG2 LYS A 94 180.224 6.762 10.920 1.00 0.00 H new ATOM 0 HG3 LYS A 94 181.854 6.120 10.955 1.00 0.00 H new ATOM 0 HD2 LYS A 94 182.785 8.402 11.098 1.00 0.00 H new ATOM 0 HD3 LYS A 94 181.179 9.091 10.961 1.00 0.00 H new ATOM 0 HE2 LYS A 94 181.218 9.090 13.233 1.00 0.00 H new ATOM 0 HE3 LYS A 94 180.791 7.398 13.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 182.665 7.693 14.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 183.148 6.822 13.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 183.561 8.461 13.338 1.00 0.00 H new ATOM 1520 N LEU A 95 180.510 4.748 7.141 1.00 0.00 N ATOM 1521 CA LEU A 95 179.630 3.622 6.815 1.00 0.00 C ATOM 1522 C LEU A 95 180.439 2.360 6.504 1.00 0.00 C ATOM 1523 O LEU A 95 180.032 1.254 6.861 1.00 0.00 O ATOM 1524 CB LEU A 95 178.730 3.971 5.623 1.00 0.00 C ATOM 1525 CG LEU A 95 177.226 3.947 5.913 1.00 0.00 C ATOM 1526 CD1 LEU A 95 176.477 4.850 4.944 1.00 0.00 C ATOM 1527 CD2 LEU A 95 176.693 2.523 5.840 1.00 0.00 C ATOM 0 H LEU A 95 180.479 5.511 6.465 1.00 0.00 H new ATOM 0 HA LEU A 95 179.006 3.425 7.687 1.00 0.00 H new ATOM 0 HB2 LEU A 95 178.999 4.964 5.264 1.00 0.00 H new ATOM 0 HB3 LEU A 95 178.939 3.272 4.813 1.00 0.00 H new ATOM 0 HG LEU A 95 177.065 4.324 6.923 1.00 0.00 H new ATOM 0 HD11 LEU A 95 175.411 4.818 5.167 1.00 0.00 H new ATOM 0 HD12 LEU A 95 176.839 5.873 5.046 1.00 0.00 H new ATOM 0 HD13 LEU A 95 176.644 4.506 3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 95 175.623 2.524 6.049 1.00 0.00 H new ATOM 0 HD22 LEU A 95 176.868 2.120 4.843 1.00 0.00 H new ATOM 0 HD23 LEU A 95 177.206 1.904 6.577 1.00 0.00 H new ATOM 1539 N GLN A 96 181.583 2.532 5.839 1.00 0.00 N ATOM 1540 CA GLN A 96 182.447 1.405 5.487 1.00 0.00 C ATOM 1541 C GLN A 96 183.101 0.810 6.735 1.00 0.00 C ATOM 1542 O GLN A 96 183.112 -0.409 6.914 1.00 0.00 O ATOM 1543 CB GLN A 96 183.526 1.849 4.492 1.00 0.00 C ATOM 1544 CG GLN A 96 184.425 0.717 4.012 1.00 0.00 C ATOM 1545 CD GLN A 96 185.851 1.173 3.758 1.00 0.00 C ATOM 1546 OE1 GLN A 96 186.629 1.357 4.694 1.00 0.00 O ATOM 1547 NE2 GLN A 96 186.202 1.361 2.490 1.00 0.00 N ATOM 0 H GLN A 96 181.932 3.441 5.534 1.00 0.00 H new ATOM 0 HA GLN A 96 181.829 0.638 5.021 1.00 0.00 H new ATOM 0 HB2 GLN A 96 183.044 2.308 3.629 1.00 0.00 H new ATOM 0 HB3 GLN A 96 184.143 2.617 4.959 1.00 0.00 H new ATOM 0 HG2 GLN A 96 184.429 -0.080 4.756 1.00 0.00 H new ATOM 0 HG3 GLN A 96 184.014 0.295 3.095 1.00 0.00 H new ATOM 0 HE21 GLN A 96 185.526 1.197 1.744 1.00 0.00 H new ATOM 0 HE22 GLN A 96 187.147 1.669 2.263 1.00 0.00 H new ATOM 1556 N ASP A 97 183.645 1.679 7.593 1.00 0.00 N ATOM 1557 CA ASP A 97 184.307 1.241 8.826 1.00 0.00 C ATOM 1558 C ASP A 97 183.338 0.490 9.739 1.00 0.00 C ATOM 1559 O ASP A 97 183.667 -0.580 10.252 1.00 0.00 O ATOM 1560 CB ASP A 97 184.901 2.447 9.572 1.00 0.00 C ATOM 1561 CG ASP A 97 185.867 2.045 10.673 1.00 0.00 C ATOM 1562 OD1 ASP A 97 185.415 1.465 11.683 1.00 0.00 O ATOM 1563 OD2 ASP A 97 187.076 2.316 10.527 1.00 0.00 O ATOM 0 H ASP A 97 183.640 2.690 7.456 1.00 0.00 H new ATOM 0 HA ASP A 97 185.111 0.560 8.548 1.00 0.00 H new ATOM 0 HB2 ASP A 97 185.418 3.090 8.859 1.00 0.00 H new ATOM 0 HB3 ASP A 97 184.091 3.036 10.003 1.00 0.00 H new ATOM 1568 N VAL A 98 182.143 1.053 9.937 1.00 0.00 N ATOM 1569 CA VAL A 98 181.133 0.427 10.791 1.00 0.00 C ATOM 1570 C VAL A 98 180.670 -0.916 10.214 1.00 0.00 C ATOM 1571 O VAL A 98 180.533 -1.895 10.950 1.00 0.00 O ATOM 1572 CB VAL A 98 179.914 1.356 11.019 1.00 0.00 C ATOM 1573 CG1 VAL A 98 179.187 1.649 9.714 1.00 0.00 C ATOM 1574 CG2 VAL A 98 178.961 0.754 12.043 1.00 0.00 C ATOM 0 H VAL A 98 181.853 1.937 9.519 1.00 0.00 H new ATOM 0 HA VAL A 98 181.606 0.247 11.756 1.00 0.00 H new ATOM 0 HB VAL A 98 180.287 2.302 11.411 1.00 0.00 H new ATOM 0 HG11 VAL A 98 178.337 2.303 9.910 1.00 0.00 H new ATOM 0 HG12 VAL A 98 179.869 2.139 9.019 1.00 0.00 H new ATOM 0 HG13 VAL A 98 178.833 0.715 9.277 1.00 0.00 H new ATOM 0 HG21 VAL A 98 178.113 1.423 12.188 1.00 0.00 H new ATOM 0 HG22 VAL A 98 178.605 -0.212 11.685 1.00 0.00 H new ATOM 0 HG23 VAL A 98 179.483 0.620 12.991 1.00 0.00 H new ATOM 1584 N PHE A 99 180.438 -0.961 8.898 1.00 0.00 N ATOM 1585 CA PHE A 99 180.000 -2.191 8.239 1.00 0.00 C ATOM 1586 C PHE A 99 181.084 -3.265 8.311 1.00 0.00 C ATOM 1587 O PHE A 99 180.817 -4.393 8.723 1.00 0.00 O ATOM 1588 CB PHE A 99 179.619 -1.925 6.780 1.00 0.00 C ATOM 1589 CG PHE A 99 178.134 -1.893 6.549 1.00 0.00 C ATOM 1590 CD1 PHE A 99 177.424 -3.069 6.357 1.00 0.00 C ATOM 1591 CD2 PHE A 99 177.446 -0.690 6.533 1.00 0.00 C ATOM 1592 CE1 PHE A 99 176.058 -3.044 6.151 1.00 0.00 C ATOM 1593 CE2 PHE A 99 176.080 -0.660 6.327 1.00 0.00 C ATOM 1594 CZ PHE A 99 175.385 -1.838 6.136 1.00 0.00 C ATOM 0 H PHE A 99 180.546 -0.163 8.272 1.00 0.00 H new ATOM 0 HA PHE A 99 179.118 -2.553 8.767 1.00 0.00 H new ATOM 0 HB2 PHE A 99 180.049 -0.973 6.467 1.00 0.00 H new ATOM 0 HB3 PHE A 99 180.061 -2.697 6.150 1.00 0.00 H new ATOM 0 HD1 PHE A 99 177.945 -4.015 6.369 1.00 0.00 H new ATOM 0 HD2 PHE A 99 177.984 0.235 6.683 1.00 0.00 H new ATOM 0 HE1 PHE A 99 175.517 -3.967 6.002 1.00 0.00 H new ATOM 0 HE2 PHE A 99 175.556 0.284 6.315 1.00 0.00 H new ATOM 0 HZ PHE A 99 174.317 -1.816 5.975 1.00 0.00 H new ATOM 1604 N GLU A 100 182.308 -2.906 7.912 1.00 0.00 N ATOM 1605 CA GLU A 100 183.433 -3.844 7.939 1.00 0.00 C ATOM 1606 C GLU A 100 183.663 -4.375 9.354 1.00 0.00 C ATOM 1607 O GLU A 100 183.874 -5.573 9.546 1.00 0.00 O ATOM 1608 CB GLU A 100 184.711 -3.177 7.411 1.00 0.00 C ATOM 1609 CG GLU A 100 185.497 -4.046 6.438 1.00 0.00 C ATOM 1610 CD GLU A 100 185.892 -5.387 7.029 1.00 0.00 C ATOM 1611 OE1 GLU A 100 186.920 -5.445 7.736 1.00 0.00 O ATOM 1612 OE2 GLU A 100 185.173 -6.379 6.786 1.00 0.00 O ATOM 0 H GLU A 100 182.544 -1.975 7.568 1.00 0.00 H new ATOM 0 HA GLU A 100 183.185 -4.683 7.289 1.00 0.00 H new ATOM 0 HB2 GLU A 100 184.445 -2.243 6.917 1.00 0.00 H new ATOM 0 HB3 GLU A 100 185.352 -2.920 8.255 1.00 0.00 H new ATOM 0 HG2 GLU A 100 184.899 -4.212 5.542 1.00 0.00 H new ATOM 0 HG3 GLU A 100 186.396 -3.513 6.127 1.00 0.00 H new ATOM 1619 N MET A 101 183.614 -3.479 10.341 1.00 0.00 N ATOM 1620 CA MET A 101 183.811 -3.861 11.740 1.00 0.00 C ATOM 1621 C MET A 101 182.731 -4.843 12.199 1.00 0.00 C ATOM 1622 O MET A 101 183.035 -5.863 12.820 1.00 0.00 O ATOM 1623 CB MET A 101 183.811 -2.620 12.641 1.00 0.00 C ATOM 1624 CG MET A 101 185.202 -2.078 12.935 1.00 0.00 C ATOM 1625 SD MET A 101 185.378 -1.491 14.631 1.00 0.00 S ATOM 1626 CE MET A 101 185.633 -3.036 15.502 1.00 0.00 C ATOM 0 H MET A 101 183.440 -2.484 10.198 1.00 0.00 H new ATOM 0 HA MET A 101 184.780 -4.355 11.819 1.00 0.00 H new ATOM 0 HB2 MET A 101 183.219 -1.838 12.167 1.00 0.00 H new ATOM 0 HB3 MET A 101 183.320 -2.865 13.583 1.00 0.00 H new ATOM 0 HG2 MET A 101 185.939 -2.859 12.747 1.00 0.00 H new ATOM 0 HG3 MET A 101 185.422 -1.261 12.248 1.00 0.00 H new ATOM 0 HE1 MET A 101 185.759 -2.837 16.566 1.00 0.00 H new ATOM 0 HE2 MET A 101 184.769 -3.684 15.353 1.00 0.00 H new ATOM 0 HE3 MET A 101 186.526 -3.528 15.117 1.00 0.00 H new ATOM 1636 N ARG A 102 181.469 -4.530 11.889 1.00 0.00 N ATOM 1637 CA ARG A 102 180.347 -5.390 12.273 1.00 0.00 C ATOM 1638 C ARG A 102 180.386 -6.718 11.516 1.00 0.00 C ATOM 1639 O ARG A 102 180.187 -7.781 12.107 1.00 0.00 O ATOM 1640 CB ARG A 102 179.012 -4.682 12.013 1.00 0.00 C ATOM 1641 CG ARG A 102 178.190 -4.443 13.271 1.00 0.00 C ATOM 1642 CD ARG A 102 178.686 -3.229 14.043 1.00 0.00 C ATOM 1643 NE ARG A 102 177.979 -3.057 15.314 1.00 0.00 N ATOM 1644 CZ ARG A 102 178.004 -1.936 16.042 1.00 0.00 C ATOM 1645 NH1 ARG A 102 178.698 -0.877 15.631 1.00 0.00 N ATOM 1646 NH2 ARG A 102 177.331 -1.875 17.186 1.00 0.00 N ATOM 0 H ARG A 102 181.200 -3.691 11.375 1.00 0.00 H new ATOM 0 HA ARG A 102 180.438 -5.597 13.339 1.00 0.00 H new ATOM 0 HB2 ARG A 102 179.207 -3.725 11.530 1.00 0.00 H new ATOM 0 HB3 ARG A 102 178.425 -5.278 11.314 1.00 0.00 H new ATOM 0 HG2 ARG A 102 177.144 -4.300 13.001 1.00 0.00 H new ATOM 0 HG3 ARG A 102 178.237 -5.325 13.910 1.00 0.00 H new ATOM 0 HD2 ARG A 102 179.754 -3.333 14.234 1.00 0.00 H new ATOM 0 HD3 ARG A 102 178.557 -2.335 13.433 1.00 0.00 H new ATOM 0 HE ARG A 102 177.432 -3.843 15.666 1.00 0.00 H new ATOM 0 HH11 ARG A 102 179.217 -0.916 14.754 1.00 0.00 H new ATOM 0 HH12 ARG A 102 178.711 -0.026 16.193 1.00 0.00 H new ATOM 0 HH21 ARG A 102 176.797 -2.682 17.507 1.00 0.00 H new ATOM 0 HH22 ARG A 102 177.349 -1.021 17.743 1.00 0.00 H new ATOM 1660 N PHE A 103 180.646 -6.652 10.207 1.00 0.00 N ATOM 1661 CA PHE A 103 180.715 -7.851 9.370 1.00 0.00 C ATOM 1662 C PHE A 103 181.876 -8.749 9.799 1.00 0.00 C ATOM 1663 O PHE A 103 181.733 -9.970 9.864 1.00 0.00 O ATOM 1664 CB PHE A 103 180.866 -7.472 7.892 1.00 0.00 C ATOM 1665 CG PHE A 103 179.636 -7.748 7.070 1.00 0.00 C ATOM 1666 CD1 PHE A 103 179.252 -9.051 6.790 1.00 0.00 C ATOM 1667 CD2 PHE A 103 178.862 -6.707 6.579 1.00 0.00 C ATOM 1668 CE1 PHE A 103 178.122 -9.310 6.038 1.00 0.00 C ATOM 1669 CE2 PHE A 103 177.731 -6.960 5.826 1.00 0.00 C ATOM 1670 CZ PHE A 103 177.360 -8.264 5.556 1.00 0.00 C ATOM 0 H PHE A 103 180.812 -5.780 9.705 1.00 0.00 H new ATOM 0 HA PHE A 103 179.783 -8.402 9.498 1.00 0.00 H new ATOM 0 HB2 PHE A 103 181.110 -6.412 7.821 1.00 0.00 H new ATOM 0 HB3 PHE A 103 181.707 -8.022 7.469 1.00 0.00 H new ATOM 0 HD1 PHE A 103 179.844 -9.873 7.164 1.00 0.00 H new ATOM 0 HD2 PHE A 103 179.147 -5.686 6.788 1.00 0.00 H new ATOM 0 HE1 PHE A 103 177.835 -10.330 5.827 1.00 0.00 H new ATOM 0 HE2 PHE A 103 177.138 -6.140 5.449 1.00 0.00 H new ATOM 0 HZ PHE A 103 176.476 -8.464 4.969 1.00 0.00 H new ATOM 1680 N ALA A 104 183.021 -8.134 10.098 1.00 0.00 N ATOM 1681 CA ALA A 104 184.203 -8.874 10.530 1.00 0.00 C ATOM 1682 C ALA A 104 183.953 -9.577 11.862 1.00 0.00 C ATOM 1683 O ALA A 104 184.438 -10.681 12.081 1.00 0.00 O ATOM 1684 CB ALA A 104 185.405 -7.947 10.641 1.00 0.00 C ATOM 0 H ALA A 104 183.153 -7.124 10.048 1.00 0.00 H new ATOM 0 HA ALA A 104 184.416 -9.633 9.778 1.00 0.00 H new ATOM 0 HB1 ALA A 104 186.276 -8.517 10.964 1.00 0.00 H new ATOM 0 HB2 ALA A 104 185.607 -7.495 9.670 1.00 0.00 H new ATOM 0 HB3 ALA A 104 185.194 -7.163 11.369 1.00 0.00 H new ATOM 1690 N LYS A 105 183.189 -8.933 12.749 1.00 0.00 N ATOM 1691 CA LYS A 105 182.880 -9.512 14.056 1.00 0.00 C ATOM 1692 C LYS A 105 181.977 -10.741 13.917 1.00 0.00 C ATOM 1693 O LYS A 105 182.215 -11.766 14.558 1.00 0.00 O ATOM 1694 CB LYS A 105 182.211 -8.472 14.965 1.00 0.00 C ATOM 1695 CG LYS A 105 182.142 -8.894 16.426 1.00 0.00 C ATOM 1696 CD LYS A 105 180.833 -9.602 16.745 1.00 0.00 C ATOM 1697 CE LYS A 105 180.783 -10.056 18.197 1.00 0.00 C ATOM 1698 NZ LYS A 105 181.249 -11.464 18.363 1.00 0.00 N ATOM 0 H LYS A 105 182.776 -8.015 12.585 1.00 0.00 H new ATOM 0 HA LYS A 105 183.821 -9.825 14.509 1.00 0.00 H new ATOM 0 HB2 LYS A 105 182.759 -7.532 14.892 1.00 0.00 H new ATOM 0 HB3 LYS A 105 181.201 -8.281 14.603 1.00 0.00 H new ATOM 0 HG2 LYS A 105 182.978 -9.555 16.654 1.00 0.00 H new ATOM 0 HG3 LYS A 105 182.246 -8.016 17.064 1.00 0.00 H new ATOM 0 HD2 LYS A 105 179.997 -8.932 16.543 1.00 0.00 H new ATOM 0 HD3 LYS A 105 180.715 -10.464 16.089 1.00 0.00 H new ATOM 0 HE2 LYS A 105 181.403 -9.396 18.804 1.00 0.00 H new ATOM 0 HE3 LYS A 105 179.762 -9.966 18.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 181.198 -11.730 19.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 180.643 -12.098 17.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 182.232 -11.546 18.033 1.00 0.00 H new ATOM 1712 N MET A 106 180.940 -10.636 13.079 1.00 0.00 N ATOM 1713 CA MET A 106 180.009 -11.750 12.867 1.00 0.00 C ATOM 1714 C MET A 106 180.678 -12.901 12.111 1.00 0.00 C ATOM 1715 O MET A 106 180.388 -14.070 12.370 1.00 0.00 O ATOM 1716 CB MET A 106 178.748 -11.284 12.122 1.00 0.00 C ATOM 1717 CG MET A 106 179.017 -10.622 10.778 1.00 0.00 C ATOM 1718 SD MET A 106 177.571 -10.630 9.699 1.00 0.00 S ATOM 1719 CE MET A 106 177.608 -12.315 9.093 1.00 0.00 C ATOM 0 H MET A 106 180.725 -9.797 12.540 1.00 0.00 H new ATOM 0 HA MET A 106 179.713 -12.116 13.850 1.00 0.00 H new ATOM 0 HB2 MET A 106 178.096 -12.143 11.965 1.00 0.00 H new ATOM 0 HB3 MET A 106 178.205 -10.583 12.756 1.00 0.00 H new ATOM 0 HG2 MET A 106 179.338 -9.593 10.942 1.00 0.00 H new ATOM 0 HG3 MET A 106 179.839 -11.137 10.281 1.00 0.00 H new ATOM 0 HE1 MET A 106 176.863 -12.435 8.307 1.00 0.00 H new ATOM 0 HE2 MET A 106 178.597 -12.536 8.692 1.00 0.00 H new ATOM 0 HE3 MET A 106 177.387 -13.001 9.911 1.00 0.00 H new ATOM 1729 N LEU A 107 181.572 -12.567 11.178 1.00 0.00 N ATOM 1730 CA LEU A 107 182.274 -13.580 10.391 1.00 0.00 C ATOM 1731 C LEU A 107 183.464 -14.155 11.163 1.00 0.00 C ATOM 1732 O LEU A 107 183.690 -15.365 11.148 1.00 0.00 O ATOM 1733 CB LEU A 107 182.750 -12.989 9.059 1.00 0.00 C ATOM 1734 CG LEU A 107 181.997 -13.491 7.823 1.00 0.00 C ATOM 1735 CD1 LEU A 107 181.837 -12.375 6.798 1.00 0.00 C ATOM 1736 CD2 LEU A 107 182.715 -14.689 7.213 1.00 0.00 C ATOM 0 H LEU A 107 181.826 -11.606 10.950 1.00 0.00 H new ATOM 0 HA LEU A 107 181.573 -14.390 10.191 1.00 0.00 H new ATOM 0 HB2 LEU A 107 182.658 -11.904 9.106 1.00 0.00 H new ATOM 0 HB3 LEU A 107 183.810 -13.214 8.937 1.00 0.00 H new ATOM 0 HG LEU A 107 181.001 -13.809 8.132 1.00 0.00 H new ATOM 0 HD11 LEU A 107 181.300 -12.754 5.929 1.00 0.00 H new ATOM 0 HD12 LEU A 107 181.276 -11.552 7.241 1.00 0.00 H new ATOM 0 HD13 LEU A 107 182.821 -12.020 6.490 1.00 0.00 H new ATOM 0 HD21 LEU A 107 182.167 -15.034 6.336 1.00 0.00 H new ATOM 0 HD22 LEU A 107 183.724 -14.398 6.920 1.00 0.00 H new ATOM 0 HD23 LEU A 107 182.768 -15.493 7.947 1.00 0.00 H new ATOM 1748 N GLN A 108 184.217 -13.285 11.837 1.00 0.00 N ATOM 1749 CA GLN A 108 185.379 -13.715 12.613 1.00 0.00 C ATOM 1750 C GLN A 108 185.569 -12.832 13.855 1.00 0.00 C ATOM 1751 O GLN A 108 186.408 -11.905 13.818 1.00 0.00 O ATOM 1752 CB GLN A 108 186.644 -13.708 11.736 1.00 0.00 C ATOM 1753 CG GLN A 108 186.743 -12.507 10.801 1.00 0.00 C ATOM 1754 CD GLN A 108 188.130 -12.331 10.201 1.00 0.00 C ATOM 1755 OE1 GLN A 108 189.105 -12.921 10.670 1.00 0.00 O ATOM 1756 NE2 GLN A 108 188.227 -11.512 9.157 1.00 0.00 N ATOM 0 H GLN A 108 184.043 -12.280 11.861 1.00 0.00 H new ATOM 0 HA GLN A 108 185.203 -14.735 12.954 1.00 0.00 H new ATOM 0 HB2 GLN A 108 187.522 -13.726 12.382 1.00 0.00 H new ATOM 0 HB3 GLN A 108 186.667 -14.621 11.142 1.00 0.00 H new ATOM 0 HG2 GLN A 108 186.017 -12.620 9.996 1.00 0.00 H new ATOM 0 HG3 GLN A 108 186.473 -11.604 11.349 1.00 0.00 H new ATOM 0 HE21 GLN A 108 187.396 -11.042 8.798 1.00 0.00 H new ATOM 0 HE22 GLN A 108 189.133 -11.354 8.715 1.00 0.00 H new