USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 651 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 42 THR OG1 : rot 160:sc= 0.00116 USER MOD Set 1.2: A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 50 ASN : amide:sc= -0.841 K(o=-0.89,f=-2.6) USER MOD Set 2.2: A 89 ASN : amide:sc= -0.0449 K(o=-0.89,f=-3.1!) USER MOD Set 3.1: A 87 ASN : amide:sc= -1.05 K(o=-2.2,f=-5.7) USER MOD Set 3.2: A 90 THR OG1 : rot 36:sc= -1.18 USER MOD Set 4.1: A 83 SER OG : rot 180:sc= 0.0668 USER MOD Set 4.2: A 84 THR OG1 : rot 180:sc= 0.02 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 84:sc= 1.16 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.0339 USER MOD Single : A 19 THR OG1 : rot -89:sc= 0.967 USER MOD Single : A 25 SER OG : rot 170:sc= 0.0669 USER MOD Single : A 27 GLN : amide:sc= -0.0182 X(o=-0.018,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.684 USER MOD Single : A 46 GLN : amide:sc= -0.0997 K(o=-0.1,f=-0.79) USER MOD Single : A 53 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.291) USER MOD Single : A 54 SER OG : rot 80:sc= 0.804 USER MOD Single : A 58 SER OG : rot -67:sc= 0.593 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.639 K(o=-0.64,f=-3.5!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.0188 K(o=-0.019,f=-1.5) USER MOD Single : A 66 ASN : amide:sc= -1.67 K(o=-1.7,f=-2.7) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.082 X(o=-0.082,f=-0.37) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 160:sc= 0.00666 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.961 0.194 1.615 1.00 0.00 N ATOM 2 CA ALA A 1 2.661 -0.080 0.366 1.00 0.00 C ATOM 3 C ALA A 1 3.477 1.127 -0.082 1.00 0.00 C ATOM 4 O ALA A 1 2.967 2.246 -0.141 1.00 0.00 O ATOM 5 CB ALA A 1 1.670 -0.481 -0.717 1.00 0.00 C ATOM 0 H1 ALA A 1 1.413 -0.644 1.897 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.652 0.422 2.358 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.317 1.000 1.482 1.00 0.00 H new ATOM 0 HA ALA A 1 3.349 -0.907 0.538 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.206 -0.683 -1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.134 -1.377 -0.406 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.959 0.330 -0.878 1.00 0.00 H new ATOM 11 N ILE A 2 4.747 0.893 -0.396 1.00 0.00 N ATOM 12 CA ILE A 2 5.633 1.962 -0.839 1.00 0.00 C ATOM 13 C ILE A 2 5.414 2.282 -2.314 1.00 0.00 C ATOM 14 O ILE A 2 5.096 1.400 -3.111 1.00 0.00 O ATOM 15 CB ILE A 2 7.113 1.594 -0.620 1.00 0.00 C ATOM 16 CG1 ILE A 2 7.370 1.282 0.856 1.00 0.00 C ATOM 17 CG2 ILE A 2 8.015 2.723 -1.093 1.00 0.00 C ATOM 18 CD1 ILE A 2 7.108 -0.162 1.223 1.00 0.00 C ATOM 0 H ILE A 2 5.185 -0.027 -0.352 1.00 0.00 H new ATOM 0 HA ILE A 2 5.392 2.840 -0.239 1.00 0.00 H new ATOM 0 HB ILE A 2 7.341 0.703 -1.206 1.00 0.00 H new ATOM 0 HG12 ILE A 2 8.405 1.527 1.096 1.00 0.00 H new ATOM 0 HG13 ILE A 2 6.739 1.925 1.470 1.00 0.00 H new ATOM 0 HG21 ILE A 2 9.057 2.448 -0.932 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.847 2.902 -2.155 1.00 0.00 H new ATOM 0 HG23 ILE A 2 7.788 3.629 -0.532 1.00 0.00 H new ATOM 0 HD11 ILE A 2 7.311 -0.310 2.284 1.00 0.00 H new ATOM 0 HD12 ILE A 2 6.066 -0.407 1.015 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.758 -0.810 0.635 1.00 0.00 H new ATOM 30 N SER A 3 5.589 3.551 -2.670 1.00 0.00 N ATOM 31 CA SER A 3 5.408 3.989 -4.049 1.00 0.00 C ATOM 32 C SER A 3 6.428 5.062 -4.416 1.00 0.00 C ATOM 33 O SER A 3 7.345 4.821 -5.202 1.00 0.00 O ATOM 34 CB SER A 3 3.990 4.527 -4.254 1.00 0.00 C ATOM 35 OG SER A 3 3.776 4.899 -5.605 1.00 0.00 O ATOM 0 H SER A 3 5.856 4.293 -2.023 1.00 0.00 H new ATOM 0 HA SER A 3 5.560 3.128 -4.700 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.264 3.768 -3.963 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.827 5.388 -3.606 1.00 0.00 H new ATOM 0 HG SER A 3 2.862 5.238 -5.710 1.00 0.00 H new ATOM 41 N CYS A 4 6.263 6.249 -3.842 1.00 0.00 N ATOM 42 CA CYS A 4 7.168 7.361 -4.107 1.00 0.00 C ATOM 43 C CYS A 4 6.816 8.567 -3.241 1.00 0.00 C ATOM 44 O CYS A 4 7.697 9.281 -2.765 1.00 0.00 O ATOM 45 CB CYS A 4 7.114 7.748 -5.586 1.00 0.00 C ATOM 46 SG CYS A 4 8.735 8.164 -6.305 1.00 0.00 S ATOM 0 H CYS A 4 5.510 6.466 -3.189 1.00 0.00 H new ATOM 0 HA CYS A 4 8.180 7.041 -3.859 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.679 6.923 -6.151 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.447 8.602 -5.703 1.00 0.00 H new ATOM 51 N GLY A 5 5.520 8.788 -3.042 1.00 0.00 N ATOM 52 CA GLY A 5 5.074 9.907 -2.234 1.00 0.00 C ATOM 53 C GLY A 5 5.631 9.864 -0.825 1.00 0.00 C ATOM 54 O GLY A 5 5.930 10.903 -0.236 1.00 0.00 O ATOM 0 H GLY A 5 4.771 8.212 -3.426 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.375 10.839 -2.712 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.985 9.909 -2.191 1.00 0.00 H new ATOM 58 N ALA A 6 5.770 8.659 -0.282 1.00 0.00 N ATOM 59 CA ALA A 6 6.296 8.485 1.067 1.00 0.00 C ATOM 60 C ALA A 6 7.820 8.522 1.071 1.00 0.00 C ATOM 61 O ALA A 6 8.440 8.868 2.076 1.00 0.00 O ATOM 62 CB ALA A 6 5.796 7.178 1.663 1.00 0.00 C ATOM 0 H ALA A 6 5.526 7.789 -0.755 1.00 0.00 H new ATOM 0 HA ALA A 6 5.937 9.312 1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.196 7.061 2.670 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.707 7.190 1.704 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.126 6.345 1.042 1.00 0.00 H new ATOM 68 N VAL A 7 8.420 8.163 -0.060 1.00 0.00 N ATOM 69 CA VAL A 7 9.872 8.156 -0.187 1.00 0.00 C ATOM 70 C VAL A 7 10.415 9.569 -0.370 1.00 0.00 C ATOM 71 O VAL A 7 11.379 9.966 0.285 1.00 0.00 O ATOM 72 CB VAL A 7 10.328 7.285 -1.373 1.00 0.00 C ATOM 73 CG1 VAL A 7 11.828 7.043 -1.312 1.00 0.00 C ATOM 74 CG2 VAL A 7 9.567 5.967 -1.388 1.00 0.00 C ATOM 0 H VAL A 7 7.922 7.873 -0.902 1.00 0.00 H new ATOM 0 HA VAL A 7 10.268 7.735 0.737 1.00 0.00 H new ATOM 0 HB VAL A 7 10.108 7.817 -2.299 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.132 6.426 -2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.353 7.998 -1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 7 12.077 6.532 -0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.901 5.364 -2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.755 5.428 -0.460 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.499 6.164 -1.483 1.00 0.00 H new ATOM 84 N THR A 8 9.789 10.326 -1.266 1.00 0.00 N ATOM 85 CA THR A 8 10.209 11.695 -1.537 1.00 0.00 C ATOM 86 C THR A 8 9.925 12.603 -0.346 1.00 0.00 C ATOM 87 O THR A 8 10.589 13.622 -0.158 1.00 0.00 O ATOM 88 CB THR A 8 9.501 12.264 -2.781 1.00 0.00 C ATOM 89 OG1 THR A 8 9.266 11.218 -3.732 1.00 0.00 O ATOM 90 CG2 THR A 8 10.336 13.361 -3.424 1.00 0.00 C ATOM 0 H THR A 8 8.989 10.014 -1.816 1.00 0.00 H new ATOM 0 HA THR A 8 11.283 11.665 -1.721 1.00 0.00 H new ATOM 0 HB THR A 8 8.548 12.691 -2.467 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.439 10.745 -3.501 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.816 13.748 -4.300 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.490 14.168 -2.708 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.301 12.954 -3.725 1.00 0.00 H new ATOM 98 N SER A 9 8.935 12.226 0.457 1.00 0.00 N ATOM 99 CA SER A 9 8.562 13.008 1.630 1.00 0.00 C ATOM 100 C SER A 9 9.709 13.066 2.633 1.00 0.00 C ATOM 101 O SER A 9 10.097 14.141 3.089 1.00 0.00 O ATOM 102 CB SER A 9 7.319 12.412 2.293 1.00 0.00 C ATOM 103 OG SER A 9 7.282 12.717 3.676 1.00 0.00 O ATOM 0 H SER A 9 8.377 11.384 0.317 1.00 0.00 H new ATOM 0 HA SER A 9 8.339 14.023 1.302 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.423 12.800 1.808 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.313 11.331 2.156 1.00 0.00 H new ATOM 0 HG SER A 9 6.477 12.326 4.076 1.00 0.00 H new ATOM 109 N ASP A 10 10.248 11.900 2.972 1.00 0.00 N ATOM 110 CA ASP A 10 11.353 11.815 3.921 1.00 0.00 C ATOM 111 C ASP A 10 12.661 12.254 3.272 1.00 0.00 C ATOM 112 O ASP A 10 13.617 12.617 3.959 1.00 0.00 O ATOM 113 CB ASP A 10 11.487 10.388 4.454 1.00 0.00 C ATOM 114 CG ASP A 10 10.143 9.716 4.655 1.00 0.00 C ATOM 115 OD1 ASP A 10 9.194 10.404 5.085 1.00 0.00 O ATOM 116 OD2 ASP A 10 10.040 8.502 4.382 1.00 0.00 O ATOM 0 H ASP A 10 9.938 11.001 2.604 1.00 0.00 H new ATOM 0 HA ASP A 10 11.138 12.486 4.753 1.00 0.00 H new ATOM 0 HB2 ASP A 10 12.084 9.798 3.759 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.026 10.406 5.401 1.00 0.00 H new ATOM 121 N LEU A 11 12.699 12.218 1.944 1.00 0.00 N ATOM 122 CA LEU A 11 13.891 12.611 1.201 1.00 0.00 C ATOM 123 C LEU A 11 14.118 14.117 1.293 1.00 0.00 C ATOM 124 O LEU A 11 15.257 14.581 1.345 1.00 0.00 O ATOM 125 CB LEU A 11 13.764 12.192 -0.264 1.00 0.00 C ATOM 126 CG LEU A 11 14.092 10.731 -0.575 1.00 0.00 C ATOM 127 CD1 LEU A 11 13.476 10.316 -1.902 1.00 0.00 C ATOM 128 CD2 LEU A 11 15.598 10.515 -0.593 1.00 0.00 C ATOM 0 H LEU A 11 11.918 11.920 1.360 1.00 0.00 H new ATOM 0 HA LEU A 11 14.749 12.105 1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.744 12.392 -0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.420 12.826 -0.861 1.00 0.00 H new ATOM 0 HG LEU A 11 13.665 10.108 0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.720 9.274 -2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.393 10.432 -1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.872 10.944 -2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.813 9.470 -0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 11 16.047 11.149 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 11 16.014 10.771 0.381 1.00 0.00 H new ATOM 140 N SER A 12 13.026 14.874 1.316 1.00 0.00 N ATOM 141 CA SER A 12 13.106 16.328 1.400 1.00 0.00 C ATOM 142 C SER A 12 13.951 16.757 2.596 1.00 0.00 C ATOM 143 O SER A 12 14.952 17.462 2.461 1.00 0.00 O ATOM 144 CB SER A 12 11.704 16.932 1.509 1.00 0.00 C ATOM 145 OG SER A 12 11.725 18.137 2.253 1.00 0.00 O ATOM 0 H SER A 12 12.076 14.505 1.278 1.00 0.00 H new ATOM 0 HA SER A 12 13.582 16.694 0.490 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.309 17.124 0.512 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.033 16.218 1.986 1.00 0.00 H new ATOM 0 HG SER A 12 10.818 18.504 2.307 1.00 0.00 H new ATOM 151 N PRO A 13 13.540 16.323 3.796 1.00 0.00 N ATOM 152 CA PRO A 13 14.244 16.648 5.040 1.00 0.00 C ATOM 153 C PRO A 13 15.596 15.949 5.141 1.00 0.00 C ATOM 154 O PRO A 13 16.491 16.406 5.852 1.00 0.00 O ATOM 155 CB PRO A 13 13.296 16.139 6.128 1.00 0.00 C ATOM 156 CG PRO A 13 12.506 15.062 5.469 1.00 0.00 C ATOM 157 CD PRO A 13 12.356 15.479 4.032 1.00 0.00 C ATOM 0 HA PRO A 13 14.468 17.712 5.115 1.00 0.00 H new ATOM 0 HB2 PRO A 13 13.848 15.756 6.986 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.649 16.936 6.494 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.016 14.102 5.546 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.532 14.945 5.945 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.337 14.618 3.364 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.430 16.031 3.868 1.00 0.00 H new ATOM 165 N CYS A 14 15.737 14.839 4.425 1.00 0.00 N ATOM 166 CA CYS A 14 16.980 14.077 4.433 1.00 0.00 C ATOM 167 C CYS A 14 17.984 14.662 3.445 1.00 0.00 C ATOM 168 O CYS A 14 19.176 14.354 3.497 1.00 0.00 O ATOM 169 CB CYS A 14 16.705 12.611 4.090 1.00 0.00 C ATOM 170 SG CYS A 14 16.042 11.634 5.477 1.00 0.00 S ATOM 0 H CYS A 14 15.006 14.447 3.832 1.00 0.00 H new ATOM 0 HA CYS A 14 17.407 14.136 5.434 1.00 0.00 H new ATOM 0 HB2 CYS A 14 15.999 12.569 3.260 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.630 12.150 3.745 1.00 0.00 H new ATOM 175 N LEU A 15 17.496 15.509 2.545 1.00 0.00 N ATOM 176 CA LEU A 15 18.350 16.139 1.545 1.00 0.00 C ATOM 177 C LEU A 15 19.366 17.068 2.203 1.00 0.00 C ATOM 178 O LEU A 15 20.557 17.023 1.894 1.00 0.00 O ATOM 179 CB LEU A 15 17.502 16.922 0.541 1.00 0.00 C ATOM 180 CG LEU A 15 17.054 16.153 -0.702 1.00 0.00 C ATOM 181 CD1 LEU A 15 16.235 17.050 -1.618 1.00 0.00 C ATOM 182 CD2 LEU A 15 18.257 15.588 -1.442 1.00 0.00 C ATOM 0 H LEU A 15 16.513 15.775 2.488 1.00 0.00 H new ATOM 0 HA LEU A 15 18.891 15.353 1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.614 17.291 1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 15 18.070 17.795 0.219 1.00 0.00 H new ATOM 0 HG LEU A 15 16.425 15.321 -0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.925 16.486 -2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.353 17.406 -1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 15 16.840 17.902 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 15 17.919 15.044 -2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.912 16.404 -1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.803 14.911 -0.785 1.00 0.00 H new ATOM 194 N THR A 16 18.887 17.910 3.114 1.00 0.00 N ATOM 195 CA THR A 16 19.752 18.848 3.817 1.00 0.00 C ATOM 196 C THR A 16 20.969 18.141 4.404 1.00 0.00 C ATOM 197 O THR A 16 22.078 18.676 4.386 1.00 0.00 O ATOM 198 CB THR A 16 18.997 19.569 4.949 1.00 0.00 C ATOM 199 OG1 THR A 16 17.761 20.099 4.454 1.00 0.00 O ATOM 200 CG2 THR A 16 19.839 20.694 5.531 1.00 0.00 C ATOM 0 H THR A 16 17.904 17.961 3.382 1.00 0.00 H new ATOM 0 HA THR A 16 20.081 19.584 3.083 1.00 0.00 H new ATOM 0 HB THR A 16 18.792 18.845 5.737 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.286 20.554 5.180 1.00 0.00 H new ATOM 0 HG21 THR A 16 19.284 21.188 6.329 1.00 0.00 H new ATOM 0 HG22 THR A 16 20.766 20.284 5.933 1.00 0.00 H new ATOM 0 HG23 THR A 16 20.071 21.417 4.749 1.00 0.00 H new ATOM 208 N TYR A 17 20.755 16.937 4.922 1.00 0.00 N ATOM 209 CA TYR A 17 21.834 16.158 5.516 1.00 0.00 C ATOM 210 C TYR A 17 22.585 15.366 4.449 1.00 0.00 C ATOM 211 O TYR A 17 23.796 15.166 4.545 1.00 0.00 O ATOM 212 CB TYR A 17 21.280 15.206 6.578 1.00 0.00 C ATOM 213 CG TYR A 17 22.349 14.574 7.441 1.00 0.00 C ATOM 214 CD1 TYR A 17 23.408 15.326 7.932 1.00 0.00 C ATOM 215 CD2 TYR A 17 22.298 13.224 7.766 1.00 0.00 C ATOM 216 CE1 TYR A 17 24.386 14.753 8.721 1.00 0.00 C ATOM 217 CE2 TYR A 17 23.271 12.642 8.555 1.00 0.00 C ATOM 218 CZ TYR A 17 24.314 13.410 9.029 1.00 0.00 C ATOM 219 OH TYR A 17 25.286 12.835 9.815 1.00 0.00 O ATOM 0 H TYR A 17 19.844 16.479 4.942 1.00 0.00 H new ATOM 0 HA TYR A 17 22.531 16.851 5.987 1.00 0.00 H new ATOM 0 HB2 TYR A 17 20.585 15.752 7.216 1.00 0.00 H new ATOM 0 HB3 TYR A 17 20.709 14.418 6.086 1.00 0.00 H new ATOM 0 HD1 TYR A 17 23.468 16.377 7.693 1.00 0.00 H new ATOM 0 HD2 TYR A 17 21.484 12.619 7.395 1.00 0.00 H new ATOM 0 HE1 TYR A 17 25.203 15.353 9.095 1.00 0.00 H new ATOM 0 HE2 TYR A 17 23.215 11.591 8.799 1.00 0.00 H new ATOM 0 HH TYR A 17 25.087 11.883 9.938 1.00 0.00 H new ATOM 229 N LEU A 18 21.857 14.919 3.432 1.00 0.00 N ATOM 230 CA LEU A 18 22.452 14.150 2.345 1.00 0.00 C ATOM 231 C LEU A 18 23.311 15.041 1.454 1.00 0.00 C ATOM 232 O LEU A 18 24.036 14.555 0.585 1.00 0.00 O ATOM 233 CB LEU A 18 21.360 13.477 1.512 1.00 0.00 C ATOM 234 CG LEU A 18 20.896 12.103 1.997 1.00 0.00 C ATOM 235 CD1 LEU A 18 19.769 11.580 1.120 1.00 0.00 C ATOM 236 CD2 LEU A 18 22.060 11.123 2.014 1.00 0.00 C ATOM 0 H LEU A 18 20.854 15.076 3.337 1.00 0.00 H new ATOM 0 HA LEU A 18 23.090 13.383 2.783 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.495 14.140 1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.722 13.376 0.489 1.00 0.00 H new ATOM 0 HG LEU A 18 20.519 12.206 3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 18 19.452 10.601 1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 18 18.927 12.271 1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 18 20.119 11.492 0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 18 21.712 10.150 2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 18 22.467 11.024 1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 18 22.836 11.491 2.685 1.00 0.00 H new ATOM 248 N THR A 19 23.226 16.349 1.676 1.00 0.00 N ATOM 249 CA THR A 19 23.996 17.308 0.894 1.00 0.00 C ATOM 250 C THR A 19 25.300 17.669 1.596 1.00 0.00 C ATOM 251 O THR A 19 26.198 18.256 0.994 1.00 0.00 O ATOM 252 CB THR A 19 23.191 18.596 0.635 1.00 0.00 C ATOM 253 OG1 THR A 19 22.418 18.931 1.793 1.00 0.00 O ATOM 254 CG2 THR A 19 22.271 18.428 -0.564 1.00 0.00 C ATOM 0 H THR A 19 22.632 16.768 2.391 1.00 0.00 H new ATOM 0 HA THR A 19 24.221 16.831 -0.060 1.00 0.00 H new ATOM 0 HB THR A 19 23.894 19.401 0.422 1.00 0.00 H new ATOM 0 HG1 THR A 19 21.542 18.496 1.739 1.00 0.00 H new ATOM 0 HG21 THR A 19 21.713 19.350 -0.727 1.00 0.00 H new ATOM 0 HG22 THR A 19 22.865 18.202 -1.450 1.00 0.00 H new ATOM 0 HG23 THR A 19 21.574 17.611 -0.376 1.00 0.00 H new ATOM 262 N GLY A 20 25.397 17.315 2.873 1.00 0.00 N ATOM 263 CA GLY A 20 26.596 17.609 3.636 1.00 0.00 C ATOM 264 C GLY A 20 26.349 18.622 4.736 1.00 0.00 C ATOM 265 O GLY A 20 27.286 19.085 5.385 1.00 0.00 O ATOM 0 H GLY A 20 24.666 16.830 3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 20 26.979 16.687 4.074 1.00 0.00 H new ATOM 0 HA3 GLY A 20 27.367 17.987 2.964 1.00 0.00 H new ATOM 269 N GLY A 21 25.082 18.968 4.947 1.00 0.00 N ATOM 270 CA GLY A 21 24.738 19.932 5.976 1.00 0.00 C ATOM 271 C GLY A 21 24.569 19.290 7.338 1.00 0.00 C ATOM 272 O GLY A 21 24.972 18.149 7.565 1.00 0.00 O ATOM 0 H GLY A 21 24.288 18.598 4.424 1.00 0.00 H new ATOM 0 HA2 GLY A 21 25.516 20.694 6.031 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.814 20.440 5.700 1.00 0.00 H new ATOM 276 N PRO A 22 23.961 20.032 8.275 1.00 0.00 N ATOM 277 CA PRO A 22 23.727 19.549 9.639 1.00 0.00 C ATOM 278 C PRO A 22 22.675 18.447 9.691 1.00 0.00 C ATOM 279 O PRO A 22 21.659 18.512 9.001 1.00 0.00 O ATOM 280 CB PRO A 22 23.232 20.796 10.377 1.00 0.00 C ATOM 281 CG PRO A 22 22.642 21.656 9.314 1.00 0.00 C ATOM 282 CD PRO A 22 23.455 21.401 8.076 1.00 0.00 C ATOM 0 HA PRO A 22 24.623 19.107 10.074 1.00 0.00 H new ATOM 0 HB2 PRO A 22 22.492 20.540 11.135 1.00 0.00 H new ATOM 0 HB3 PRO A 22 24.050 21.304 10.889 1.00 0.00 H new ATOM 0 HG2 PRO A 22 21.593 21.409 9.150 1.00 0.00 H new ATOM 0 HG3 PRO A 22 22.681 22.708 9.597 1.00 0.00 H new ATOM 0 HD2 PRO A 22 22.848 21.478 7.174 1.00 0.00 H new ATOM 0 HD3 PRO A 22 24.269 22.119 7.975 1.00 0.00 H new ATOM 290 N GLY A 23 22.926 17.433 10.515 1.00 0.00 N ATOM 291 CA GLY A 23 21.991 16.331 10.642 1.00 0.00 C ATOM 292 C GLY A 23 22.628 15.097 11.249 1.00 0.00 C ATOM 293 O GLY A 23 23.723 15.150 11.810 1.00 0.00 O ATOM 0 H GLY A 23 23.760 17.356 11.096 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.149 16.643 11.260 1.00 0.00 H new ATOM 0 HA3 GLY A 23 21.591 16.083 9.659 1.00 0.00 H new ATOM 297 N PRO A 24 21.934 13.954 11.142 1.00 0.00 N ATOM 298 CA PRO A 24 20.629 13.880 10.478 1.00 0.00 C ATOM 299 C PRO A 24 19.534 14.586 11.270 1.00 0.00 C ATOM 300 O PRO A 24 19.461 14.462 12.493 1.00 0.00 O ATOM 301 CB PRO A 24 20.353 12.376 10.407 1.00 0.00 C ATOM 302 CG PRO A 24 21.138 11.793 11.531 1.00 0.00 C ATOM 303 CD PRO A 24 22.368 12.647 11.663 1.00 0.00 C ATOM 0 HA PRO A 24 20.638 14.372 9.506 1.00 0.00 H new ATOM 0 HB2 PRO A 24 19.289 12.163 10.515 1.00 0.00 H new ATOM 0 HB3 PRO A 24 20.666 11.961 9.449 1.00 0.00 H new ATOM 0 HG2 PRO A 24 20.559 11.797 12.455 1.00 0.00 H new ATOM 0 HG3 PRO A 24 21.403 10.756 11.325 1.00 0.00 H new ATOM 0 HD2 PRO A 24 22.699 12.717 12.699 1.00 0.00 H new ATOM 0 HD3 PRO A 24 23.202 12.242 11.089 1.00 0.00 H new ATOM 311 N SER A 25 18.684 15.326 10.566 1.00 0.00 N ATOM 312 CA SER A 25 17.594 16.055 11.204 1.00 0.00 C ATOM 313 C SER A 25 16.607 15.093 11.858 1.00 0.00 C ATOM 314 O SER A 25 16.600 13.892 11.588 1.00 0.00 O ATOM 315 CB SER A 25 16.868 16.930 10.180 1.00 0.00 C ATOM 316 OG SER A 25 16.953 16.370 8.881 1.00 0.00 O ATOM 0 H SER A 25 18.729 15.437 9.553 1.00 0.00 H new ATOM 0 HA SER A 25 18.021 16.693 11.978 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.822 17.038 10.465 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.302 17.930 10.178 1.00 0.00 H new ATOM 0 HG SER A 25 16.352 16.854 8.276 1.00 0.00 H new ATOM 322 N PRO A 26 15.753 15.632 12.740 1.00 0.00 N ATOM 323 CA PRO A 26 14.745 14.841 13.452 1.00 0.00 C ATOM 324 C PRO A 26 13.635 14.351 12.528 1.00 0.00 C ATOM 325 O PRO A 26 13.218 13.195 12.604 1.00 0.00 O ATOM 326 CB PRO A 26 14.186 15.823 14.484 1.00 0.00 C ATOM 327 CG PRO A 26 14.426 17.170 13.894 1.00 0.00 C ATOM 328 CD PRO A 26 15.705 17.057 13.111 1.00 0.00 C ATOM 0 HA PRO A 26 15.171 13.938 13.890 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.124 15.651 14.659 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.689 15.716 15.445 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.599 17.467 13.249 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.511 17.928 14.673 1.00 0.00 H new ATOM 0 HD2 PRO A 26 15.696 17.701 12.232 1.00 0.00 H new ATOM 0 HD3 PRO A 26 16.569 17.346 13.709 1.00 0.00 H new ATOM 336 N GLN A 27 13.161 15.236 11.658 1.00 0.00 N ATOM 337 CA GLN A 27 12.099 14.892 10.720 1.00 0.00 C ATOM 338 C GLN A 27 12.574 13.843 9.720 1.00 0.00 C ATOM 339 O GLN A 27 11.804 12.982 9.294 1.00 0.00 O ATOM 340 CB GLN A 27 11.620 16.141 9.978 1.00 0.00 C ATOM 341 CG GLN A 27 10.746 17.053 10.823 1.00 0.00 C ATOM 342 CD GLN A 27 11.010 18.523 10.561 1.00 0.00 C ATOM 343 OE1 GLN A 27 10.191 19.214 9.954 1.00 0.00 O ATOM 344 NE2 GLN A 27 12.158 19.009 11.017 1.00 0.00 N ATOM 0 H GLN A 27 13.495 16.197 11.583 1.00 0.00 H new ATOM 0 HA GLN A 27 11.268 14.475 11.289 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.488 16.702 9.631 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.063 15.836 9.092 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.697 16.835 10.621 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.918 16.839 11.878 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.808 18.400 11.515 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.391 19.991 10.870 1.00 0.00 H new ATOM 353 N CYS A 28 13.848 13.922 9.348 1.00 0.00 N ATOM 354 CA CYS A 28 14.427 12.980 8.397 1.00 0.00 C ATOM 355 C CYS A 28 14.440 11.567 8.971 1.00 0.00 C ATOM 356 O CYS A 28 13.949 10.626 8.347 1.00 0.00 O ATOM 357 CB CYS A 28 15.849 13.406 8.028 1.00 0.00 C ATOM 358 SG CYS A 28 16.821 12.109 7.197 1.00 0.00 S ATOM 0 H CYS A 28 14.499 14.629 9.691 1.00 0.00 H new ATOM 0 HA CYS A 28 13.810 12.982 7.499 1.00 0.00 H new ATOM 0 HB2 CYS A 28 15.798 14.280 7.378 1.00 0.00 H new ATOM 0 HB3 CYS A 28 16.372 13.713 8.934 1.00 0.00 H new ATOM 363 N CYS A 29 15.006 11.424 10.165 1.00 0.00 N ATOM 364 CA CYS A 29 15.085 10.126 10.825 1.00 0.00 C ATOM 365 C CYS A 29 13.713 9.459 10.878 1.00 0.00 C ATOM 366 O CYS A 29 13.564 8.294 10.513 1.00 0.00 O ATOM 367 CB CYS A 29 15.643 10.284 12.241 1.00 0.00 C ATOM 368 SG CYS A 29 17.450 10.502 12.308 1.00 0.00 S ATOM 0 H CYS A 29 15.417 12.192 10.696 1.00 0.00 H new ATOM 0 HA CYS A 29 15.756 9.491 10.246 1.00 0.00 H new ATOM 0 HB2 CYS A 29 15.166 11.143 12.714 1.00 0.00 H new ATOM 0 HB3 CYS A 29 15.372 9.406 12.827 1.00 0.00 H new ATOM 373 N GLY A 30 12.714 10.208 11.335 1.00 0.00 N ATOM 374 CA GLY A 30 11.368 9.673 11.427 1.00 0.00 C ATOM 375 C GLY A 30 10.878 9.107 10.109 1.00 0.00 C ATOM 376 O GLY A 30 10.284 8.031 10.071 1.00 0.00 O ATOM 0 H GLY A 30 12.813 11.175 11.643 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.342 8.892 12.187 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.689 10.460 11.756 1.00 0.00 H new ATOM 380 N GLY A 31 11.125 9.837 9.025 1.00 0.00 N ATOM 381 CA GLY A 31 10.696 9.386 7.714 1.00 0.00 C ATOM 382 C GLY A 31 11.470 8.174 7.236 1.00 0.00 C ATOM 383 O GLY A 31 10.897 7.251 6.656 1.00 0.00 O ATOM 0 H GLY A 31 11.614 10.732 9.032 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.633 9.145 7.746 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.818 10.197 6.996 1.00 0.00 H new ATOM 387 N VAL A 32 12.777 8.176 7.476 1.00 0.00 N ATOM 388 CA VAL A 32 13.632 7.069 7.065 1.00 0.00 C ATOM 389 C VAL A 32 13.118 5.743 7.616 1.00 0.00 C ATOM 390 O VAL A 32 12.846 4.808 6.863 1.00 0.00 O ATOM 391 CB VAL A 32 15.085 7.277 7.532 1.00 0.00 C ATOM 392 CG1 VAL A 32 15.968 6.135 7.056 1.00 0.00 C ATOM 393 CG2 VAL A 32 15.616 8.615 7.039 1.00 0.00 C ATOM 0 H VAL A 32 13.267 8.932 7.953 1.00 0.00 H new ATOM 0 HA VAL A 32 13.609 7.040 5.976 1.00 0.00 H new ATOM 0 HB VAL A 32 15.101 7.285 8.622 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.991 6.300 7.396 1.00 0.00 H new ATOM 0 HG12 VAL A 32 15.597 5.194 7.463 1.00 0.00 H new ATOM 0 HG13 VAL A 32 15.950 6.091 5.967 1.00 0.00 H new ATOM 0 HG21 VAL A 32 16.644 8.746 7.378 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.587 8.639 5.950 1.00 0.00 H new ATOM 0 HG23 VAL A 32 14.998 9.420 7.436 1.00 0.00 H new ATOM 403 N LYS A 33 12.985 5.669 8.936 1.00 0.00 N ATOM 404 CA LYS A 33 12.502 4.459 9.590 1.00 0.00 C ATOM 405 C LYS A 33 11.124 4.070 9.064 1.00 0.00 C ATOM 406 O LYS A 33 10.739 2.902 9.107 1.00 0.00 O ATOM 407 CB LYS A 33 12.442 4.664 11.106 1.00 0.00 C ATOM 408 CG LYS A 33 13.789 4.520 11.793 1.00 0.00 C ATOM 409 CD LYS A 33 13.700 4.859 13.271 1.00 0.00 C ATOM 410 CE LYS A 33 14.682 4.038 14.092 1.00 0.00 C ATOM 411 NZ LYS A 33 14.137 3.703 15.437 1.00 0.00 N ATOM 0 H LYS A 33 13.205 6.434 9.574 1.00 0.00 H new ATOM 0 HA LYS A 33 13.199 3.651 9.366 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.041 5.656 11.314 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.746 3.943 11.534 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.152 3.499 11.674 1.00 0.00 H new ATOM 0 HG3 LYS A 33 14.516 5.175 11.312 1.00 0.00 H new ATOM 0 HD2 LYS A 33 13.903 5.920 13.415 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.686 4.677 13.627 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.922 3.118 13.558 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.613 4.593 14.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.836 3.143 15.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.932 4.580 15.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.262 3.151 15.329 1.00 0.00 H new ATOM 425 N LYS A 34 10.385 5.057 8.567 1.00 0.00 N ATOM 426 CA LYS A 34 9.051 4.818 8.030 1.00 0.00 C ATOM 427 C LYS A 34 9.123 4.047 6.716 1.00 0.00 C ATOM 428 O LYS A 34 8.327 3.140 6.471 1.00 0.00 O ATOM 429 CB LYS A 34 8.320 6.145 7.815 1.00 0.00 C ATOM 430 CG LYS A 34 6.807 6.021 7.863 1.00 0.00 C ATOM 431 CD LYS A 34 6.284 6.124 9.286 1.00 0.00 C ATOM 432 CE LYS A 34 4.764 6.089 9.326 1.00 0.00 C ATOM 433 NZ LYS A 34 4.194 7.362 9.846 1.00 0.00 N ATOM 0 H LYS A 34 10.688 6.030 8.525 1.00 0.00 H new ATOM 0 HA LYS A 34 8.498 4.218 8.753 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.642 6.855 8.577 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.612 6.559 6.850 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.357 6.803 7.252 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.505 5.066 7.432 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.684 5.303 9.882 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.640 7.049 9.739 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.379 5.901 8.324 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.436 5.261 9.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.156 7.298 9.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.542 7.529 10.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.486 8.149 9.232 1.00 0.00 H new ATOM 447 N LEU A 35 10.084 4.412 5.873 1.00 0.00 N ATOM 448 CA LEU A 35 10.261 3.753 4.584 1.00 0.00 C ATOM 449 C LEU A 35 10.671 2.295 4.769 1.00 0.00 C ATOM 450 O LEU A 35 10.206 1.412 4.047 1.00 0.00 O ATOM 451 CB LEU A 35 11.314 4.489 3.754 1.00 0.00 C ATOM 452 CG LEU A 35 11.392 4.106 2.275 1.00 0.00 C ATOM 453 CD1 LEU A 35 12.055 5.214 1.471 1.00 0.00 C ATOM 454 CD2 LEU A 35 12.144 2.795 2.103 1.00 0.00 C ATOM 0 H LEU A 35 10.752 5.160 6.059 1.00 0.00 H new ATOM 0 HA LEU A 35 9.307 3.779 4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.118 5.559 3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.291 4.315 4.206 1.00 0.00 H new ATOM 0 HG LEU A 35 10.378 3.971 1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.102 4.924 0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.475 6.131 1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.064 5.382 1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.190 2.538 1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.156 2.902 2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.626 2.005 2.646 1.00 0.00 H new ATOM 466 N LEU A 36 11.542 2.050 5.741 1.00 0.00 N ATOM 467 CA LEU A 36 12.014 0.699 6.023 1.00 0.00 C ATOM 468 C LEU A 36 10.952 -0.103 6.769 1.00 0.00 C ATOM 469 O LEU A 36 10.818 -1.310 6.570 1.00 0.00 O ATOM 470 CB LEU A 36 13.303 0.748 6.845 1.00 0.00 C ATOM 471 CG LEU A 36 14.595 0.958 6.055 1.00 0.00 C ATOM 472 CD1 LEU A 36 15.562 1.834 6.836 1.00 0.00 C ATOM 473 CD2 LEU A 36 15.237 -0.380 5.717 1.00 0.00 C ATOM 0 H LEU A 36 11.936 2.769 6.347 1.00 0.00 H new ATOM 0 HA LEU A 36 12.216 0.205 5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 36 13.213 1.551 7.577 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.390 -0.184 7.404 1.00 0.00 H new ATOM 0 HG LEU A 36 14.350 1.466 5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.476 1.972 6.258 1.00 0.00 H new ATOM 0 HD12 LEU A 36 15.102 2.804 7.026 1.00 0.00 H new ATOM 0 HD13 LEU A 36 15.802 1.354 7.785 1.00 0.00 H new ATOM 0 HD21 LEU A 36 16.155 -0.211 5.155 1.00 0.00 H new ATOM 0 HD22 LEU A 36 15.469 -0.915 6.638 1.00 0.00 H new ATOM 0 HD23 LEU A 36 14.547 -0.973 5.116 1.00 0.00 H new ATOM 485 N ALA A 37 10.199 0.576 7.627 1.00 0.00 N ATOM 486 CA ALA A 37 9.146 -0.072 8.400 1.00 0.00 C ATOM 487 C ALA A 37 7.933 -0.375 7.528 1.00 0.00 C ATOM 488 O ALA A 37 7.139 -1.262 7.839 1.00 0.00 O ATOM 489 CB ALA A 37 8.745 0.800 9.581 1.00 0.00 C ATOM 0 H ALA A 37 10.298 1.575 7.805 1.00 0.00 H new ATOM 0 HA ALA A 37 9.535 -1.018 8.777 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.958 0.304 10.149 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.610 0.962 10.224 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.379 1.760 9.217 1.00 0.00 H new ATOM 495 N ALA A 38 7.795 0.367 6.434 1.00 0.00 N ATOM 496 CA ALA A 38 6.679 0.176 5.516 1.00 0.00 C ATOM 497 C ALA A 38 6.981 -0.926 4.507 1.00 0.00 C ATOM 498 O ALA A 38 6.125 -1.297 3.704 1.00 0.00 O ATOM 499 CB ALA A 38 6.357 1.479 4.798 1.00 0.00 C ATOM 0 H ALA A 38 8.443 1.106 6.162 1.00 0.00 H new ATOM 0 HA ALA A 38 5.810 -0.129 6.098 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.522 1.322 4.116 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.089 2.241 5.530 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.229 1.809 4.234 1.00 0.00 H new ATOM 505 N ALA A 39 8.203 -1.445 4.552 1.00 0.00 N ATOM 506 CA ALA A 39 8.617 -2.506 3.642 1.00 0.00 C ATOM 507 C ALA A 39 9.138 -3.716 4.410 1.00 0.00 C ATOM 508 O ALA A 39 10.011 -3.590 5.268 1.00 0.00 O ATOM 509 CB ALA A 39 9.679 -1.992 2.681 1.00 0.00 C ATOM 0 H ALA A 39 8.924 -1.148 5.209 1.00 0.00 H new ATOM 0 HA ALA A 39 7.745 -2.820 3.069 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.979 -2.795 2.007 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.274 -1.163 2.100 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.546 -1.650 3.246 1.00 0.00 H new ATOM 515 N ASN A 40 8.595 -4.888 4.097 1.00 0.00 N ATOM 516 CA ASN A 40 9.004 -6.122 4.760 1.00 0.00 C ATOM 517 C ASN A 40 9.425 -7.174 3.738 1.00 0.00 C ATOM 518 O ASN A 40 10.384 -7.915 3.953 1.00 0.00 O ATOM 519 CB ASN A 40 7.864 -6.662 5.625 1.00 0.00 C ATOM 520 CG ASN A 40 8.266 -7.901 6.402 1.00 0.00 C ATOM 521 OD1 ASN A 40 9.326 -7.939 7.026 1.00 0.00 O ATOM 522 ND2 ASN A 40 7.418 -8.922 6.367 1.00 0.00 N ATOM 0 H ASN A 40 7.871 -5.010 3.389 1.00 0.00 H new ATOM 0 HA ASN A 40 9.859 -5.897 5.397 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.542 -5.888 6.322 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.009 -6.896 4.990 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.634 -9.782 6.871 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.550 -8.846 5.836 1.00 0.00 H new ATOM 529 N THR A 41 8.701 -7.233 2.625 1.00 0.00 N ATOM 530 CA THR A 41 8.998 -8.194 1.570 1.00 0.00 C ATOM 531 C THR A 41 9.951 -7.601 0.539 1.00 0.00 C ATOM 532 O THR A 41 10.484 -6.507 0.727 1.00 0.00 O ATOM 533 CB THR A 41 7.714 -8.661 0.857 1.00 0.00 C ATOM 534 OG1 THR A 41 7.153 -7.581 0.103 1.00 0.00 O ATOM 535 CG2 THR A 41 6.692 -9.169 1.862 1.00 0.00 C ATOM 0 H THR A 41 7.904 -6.626 2.431 1.00 0.00 H new ATOM 0 HA THR A 41 9.472 -9.052 2.048 1.00 0.00 H new ATOM 0 HB THR A 41 7.974 -9.477 0.183 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.338 -7.886 -0.349 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.794 -9.493 1.336 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.112 -10.009 2.415 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.436 -8.369 2.557 1.00 0.00 H new ATOM 543 N THR A 42 10.163 -8.330 -0.553 1.00 0.00 N ATOM 544 CA THR A 42 11.053 -7.876 -1.614 1.00 0.00 C ATOM 545 C THR A 42 10.355 -6.872 -2.524 1.00 0.00 C ATOM 546 O THR A 42 10.876 -5.794 -2.813 1.00 0.00 O ATOM 547 CB THR A 42 11.560 -9.056 -2.464 1.00 0.00 C ATOM 548 OG1 THR A 42 11.581 -10.253 -1.679 1.00 0.00 O ATOM 549 CG2 THR A 42 12.954 -8.774 -3.004 1.00 0.00 C ATOM 0 H THR A 42 9.730 -9.237 -0.725 1.00 0.00 H new ATOM 0 HA THR A 42 11.903 -7.394 -1.130 1.00 0.00 H new ATOM 0 HB THR A 42 10.880 -9.186 -3.306 1.00 0.00 H new ATOM 0 HG1 THR A 42 11.587 -11.033 -2.272 1.00 0.00 H new ATOM 0 HG21 THR A 42 13.291 -9.621 -3.601 1.00 0.00 H new ATOM 0 HG22 THR A 42 12.929 -7.879 -3.626 1.00 0.00 H new ATOM 0 HG23 THR A 42 13.642 -8.619 -2.173 1.00 0.00 H new ATOM 557 N PRO A 43 9.149 -7.230 -2.988 1.00 0.00 N ATOM 558 CA PRO A 43 8.353 -6.372 -3.871 1.00 0.00 C ATOM 559 C PRO A 43 8.268 -4.937 -3.363 1.00 0.00 C ATOM 560 O PRO A 43 8.461 -3.987 -4.121 1.00 0.00 O ATOM 561 CB PRO A 43 6.971 -7.029 -3.854 1.00 0.00 C ATOM 562 CG PRO A 43 7.236 -8.460 -3.536 1.00 0.00 C ATOM 563 CD PRO A 43 8.467 -8.500 -2.684 1.00 0.00 C ATOM 0 HA PRO A 43 8.790 -6.295 -4.866 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.324 -6.571 -3.106 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.471 -6.923 -4.817 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.389 -8.901 -3.010 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.380 -9.037 -4.449 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.218 -8.577 -1.626 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.094 -9.358 -2.927 1.00 0.00 H new ATOM 571 N ASP A 44 7.977 -4.787 -2.075 1.00 0.00 N ATOM 572 CA ASP A 44 7.867 -3.467 -1.465 1.00 0.00 C ATOM 573 C ASP A 44 9.211 -2.746 -1.484 1.00 0.00 C ATOM 574 O ASP A 44 9.293 -1.575 -1.856 1.00 0.00 O ATOM 575 CB ASP A 44 7.359 -3.587 -0.027 1.00 0.00 C ATOM 576 CG ASP A 44 5.847 -3.528 0.060 1.00 0.00 C ATOM 577 OD1 ASP A 44 5.251 -2.636 -0.580 1.00 0.00 O ATOM 578 OD2 ASP A 44 5.259 -4.372 0.769 1.00 0.00 O ATOM 0 H ASP A 44 7.813 -5.563 -1.434 1.00 0.00 H new ATOM 0 HA ASP A 44 7.154 -2.883 -2.047 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.708 -4.527 0.401 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.786 -2.784 0.574 1.00 0.00 H new ATOM 583 N ARG A 45 10.262 -3.452 -1.080 1.00 0.00 N ATOM 584 CA ARG A 45 11.602 -2.879 -1.049 1.00 0.00 C ATOM 585 C ARG A 45 12.067 -2.507 -2.454 1.00 0.00 C ATOM 586 O ARG A 45 12.895 -1.613 -2.627 1.00 0.00 O ATOM 587 CB ARG A 45 12.587 -3.864 -0.418 1.00 0.00 C ATOM 588 CG ARG A 45 12.584 -3.841 1.101 1.00 0.00 C ATOM 589 CD ARG A 45 13.581 -4.835 1.676 1.00 0.00 C ATOM 590 NE ARG A 45 13.398 -5.025 3.113 1.00 0.00 N ATOM 591 CZ ARG A 45 14.142 -5.845 3.846 1.00 0.00 C ATOM 592 NH1 ARG A 45 15.114 -6.548 3.281 1.00 0.00 N ATOM 593 NH2 ARG A 45 13.915 -5.964 5.148 1.00 0.00 N ATOM 0 H ARG A 45 10.211 -4.422 -0.769 1.00 0.00 H new ATOM 0 HA ARG A 45 11.568 -1.973 -0.444 1.00 0.00 H new ATOM 0 HB2 ARG A 45 12.348 -4.872 -0.758 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.592 -3.638 -0.774 1.00 0.00 H new ATOM 0 HG2 ARG A 45 12.826 -2.838 1.451 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.584 -4.074 1.467 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.473 -5.793 1.167 1.00 0.00 H new ATOM 0 HD3 ARG A 45 14.595 -4.484 1.483 1.00 0.00 H new ATOM 0 HE ARG A 45 12.658 -4.499 3.579 1.00 0.00 H new ATOM 0 HH11 ARG A 45 15.292 -6.460 2.281 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.684 -7.177 3.847 1.00 0.00 H new ATOM 0 HH21 ARG A 45 13.168 -5.425 5.587 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.487 -6.594 5.710 1.00 0.00 H new ATOM 607 N GLN A 46 11.528 -3.198 -3.453 1.00 0.00 N ATOM 608 CA GLN A 46 11.889 -2.941 -4.842 1.00 0.00 C ATOM 609 C GLN A 46 11.345 -1.593 -5.305 1.00 0.00 C ATOM 610 O GLN A 46 12.056 -0.807 -5.929 1.00 0.00 O ATOM 611 CB GLN A 46 11.358 -4.056 -5.744 1.00 0.00 C ATOM 612 CG GLN A 46 12.337 -5.203 -5.933 1.00 0.00 C ATOM 613 CD GLN A 46 11.931 -6.138 -7.056 1.00 0.00 C ATOM 614 OE1 GLN A 46 11.434 -5.700 -8.094 1.00 0.00 O ATOM 615 NE2 GLN A 46 12.141 -7.433 -6.854 1.00 0.00 N ATOM 0 H GLN A 46 10.840 -3.940 -3.326 1.00 0.00 H new ATOM 0 HA GLN A 46 12.977 -2.916 -4.910 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.432 -4.445 -5.320 1.00 0.00 H new ATOM 0 HB3 GLN A 46 11.110 -3.636 -6.719 1.00 0.00 H new ATOM 0 HG2 GLN A 46 13.328 -4.799 -6.142 1.00 0.00 H new ATOM 0 HG3 GLN A 46 12.412 -5.768 -5.004 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.556 -7.752 -5.978 1.00 0.00 H new ATOM 0 HE22 GLN A 46 11.888 -8.109 -7.574 1.00 0.00 H new ATOM 624 N ALA A 47 10.078 -1.335 -4.996 1.00 0.00 N ATOM 625 CA ALA A 47 9.439 -0.082 -5.379 1.00 0.00 C ATOM 626 C ALA A 47 10.167 1.114 -4.774 1.00 0.00 C ATOM 627 O ALA A 47 10.519 2.060 -5.478 1.00 0.00 O ATOM 628 CB ALA A 47 7.978 -0.083 -4.954 1.00 0.00 C ATOM 0 H ALA A 47 9.474 -1.977 -4.482 1.00 0.00 H new ATOM 0 HA ALA A 47 9.491 0.006 -6.464 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.513 0.859 -5.246 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.459 -0.910 -5.439 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.914 -0.199 -3.872 1.00 0.00 H new ATOM 634 N ALA A 48 10.390 1.064 -3.464 1.00 0.00 N ATOM 635 CA ALA A 48 11.077 2.142 -2.765 1.00 0.00 C ATOM 636 C ALA A 48 12.479 2.354 -3.325 1.00 0.00 C ATOM 637 O ALA A 48 12.846 3.466 -3.706 1.00 0.00 O ATOM 638 CB ALA A 48 11.141 1.848 -1.274 1.00 0.00 C ATOM 0 H ALA A 48 10.105 0.288 -2.866 1.00 0.00 H new ATOM 0 HA ALA A 48 10.510 3.060 -2.919 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.657 2.662 -0.764 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.130 1.755 -0.878 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.682 0.916 -1.110 1.00 0.00 H new ATOM 644 N CYS A 49 13.261 1.280 -3.372 1.00 0.00 N ATOM 645 CA CYS A 49 14.624 1.348 -3.884 1.00 0.00 C ATOM 646 C CYS A 49 14.668 2.088 -5.217 1.00 0.00 C ATOM 647 O CYS A 49 15.583 2.869 -5.475 1.00 0.00 O ATOM 648 CB CYS A 49 15.199 -0.060 -4.050 1.00 0.00 C ATOM 649 SG CYS A 49 16.068 -0.688 -2.578 1.00 0.00 S ATOM 0 H CYS A 49 12.973 0.352 -3.061 1.00 0.00 H new ATOM 0 HA CYS A 49 15.229 1.898 -3.164 1.00 0.00 H new ATOM 0 HB2 CYS A 49 14.388 -0.745 -4.299 1.00 0.00 H new ATOM 0 HB3 CYS A 49 15.889 -0.062 -4.894 1.00 0.00 H new ATOM 654 N ASN A 50 13.672 1.836 -6.061 1.00 0.00 N ATOM 655 CA ASN A 50 13.597 2.478 -7.368 1.00 0.00 C ATOM 656 C ASN A 50 13.510 3.994 -7.225 1.00 0.00 C ATOM 657 O ASN A 50 14.345 4.728 -7.756 1.00 0.00 O ATOM 658 CB ASN A 50 12.387 1.958 -8.146 1.00 0.00 C ATOM 659 CG ASN A 50 12.501 0.481 -8.474 1.00 0.00 C ATOM 660 OD1 ASN A 50 13.598 -0.036 -8.684 1.00 0.00 O ATOM 661 ND2 ASN A 50 11.365 -0.204 -8.519 1.00 0.00 N ATOM 0 H ASN A 50 12.906 1.192 -5.863 1.00 0.00 H new ATOM 0 HA ASN A 50 14.506 2.234 -7.918 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.482 2.129 -7.562 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.282 2.526 -9.071 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.379 -1.201 -8.735 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.478 0.266 -8.338 1.00 0.00 H new ATOM 668 N CYS A 51 12.495 4.458 -6.505 1.00 0.00 N ATOM 669 CA CYS A 51 12.297 5.887 -6.291 1.00 0.00 C ATOM 670 C CYS A 51 13.450 6.481 -5.487 1.00 0.00 C ATOM 671 O CYS A 51 13.717 7.681 -5.556 1.00 0.00 O ATOM 672 CB CYS A 51 10.973 6.137 -5.566 1.00 0.00 C ATOM 673 SG CYS A 51 9.552 6.385 -6.679 1.00 0.00 S ATOM 0 H CYS A 51 11.795 3.865 -6.059 1.00 0.00 H new ATOM 0 HA CYS A 51 12.267 6.374 -7.265 1.00 0.00 H new ATOM 0 HB2 CYS A 51 10.764 5.291 -4.911 1.00 0.00 H new ATOM 0 HB3 CYS A 51 11.080 7.015 -4.929 1.00 0.00 H new ATOM 678 N LEU A 52 14.131 5.632 -4.725 1.00 0.00 N ATOM 679 CA LEU A 52 15.257 6.072 -3.907 1.00 0.00 C ATOM 680 C LEU A 52 16.489 6.327 -4.769 1.00 0.00 C ATOM 681 O LEU A 52 17.017 7.438 -4.804 1.00 0.00 O ATOM 682 CB LEU A 52 15.575 5.026 -2.838 1.00 0.00 C ATOM 683 CG LEU A 52 14.846 5.186 -1.504 1.00 0.00 C ATOM 684 CD1 LEU A 52 15.131 4.001 -0.594 1.00 0.00 C ATOM 685 CD2 LEU A 52 15.250 6.489 -0.829 1.00 0.00 C ATOM 0 H LEU A 52 13.924 4.636 -4.656 1.00 0.00 H new ATOM 0 HA LEU A 52 14.978 7.006 -3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.341 4.041 -3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 52 16.648 5.045 -2.647 1.00 0.00 H new ATOM 0 HG LEU A 52 13.774 5.218 -1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.604 4.133 0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 52 14.791 3.083 -1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 52 16.203 3.937 -0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.722 6.587 0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 52 16.325 6.486 -0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.993 7.328 -1.475 1.00 0.00 H new ATOM 697 N LYS A 53 16.943 5.289 -5.465 1.00 0.00 N ATOM 698 CA LYS A 53 18.111 5.400 -6.330 1.00 0.00 C ATOM 699 C LYS A 53 17.980 6.592 -7.273 1.00 0.00 C ATOM 700 O LYS A 53 18.946 7.316 -7.512 1.00 0.00 O ATOM 701 CB LYS A 53 18.295 4.114 -7.140 1.00 0.00 C ATOM 702 CG LYS A 53 19.746 3.803 -7.464 1.00 0.00 C ATOM 703 CD LYS A 53 20.000 2.305 -7.499 1.00 0.00 C ATOM 704 CE LYS A 53 19.161 1.621 -8.567 1.00 0.00 C ATOM 705 NZ LYS A 53 17.993 0.906 -7.981 1.00 0.00 N ATOM 0 H LYS A 53 16.519 4.361 -5.446 1.00 0.00 H new ATOM 0 HA LYS A 53 18.986 5.554 -5.698 1.00 0.00 H new ATOM 0 HB2 LYS A 53 17.869 3.280 -6.583 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.733 4.197 -8.070 1.00 0.00 H new ATOM 0 HG2 LYS A 53 20.006 4.240 -8.428 1.00 0.00 H new ATOM 0 HG3 LYS A 53 20.393 4.266 -6.719 1.00 0.00 H new ATOM 0 HD2 LYS A 53 21.057 2.119 -7.691 1.00 0.00 H new ATOM 0 HD3 LYS A 53 19.772 1.874 -6.524 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.810 2.363 -9.284 1.00 0.00 H new ATOM 0 HE3 LYS A 53 19.781 0.914 -9.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 17.659 0.181 -8.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 18.276 0.452 -7.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 17.227 1.585 -7.796 1.00 0.00 H new ATOM 719 N SER A 54 16.777 6.791 -7.803 1.00 0.00 N ATOM 720 CA SER A 54 16.520 7.895 -8.721 1.00 0.00 C ATOM 721 C SER A 54 16.453 9.221 -7.971 1.00 0.00 C ATOM 722 O SER A 54 16.769 10.275 -8.522 1.00 0.00 O ATOM 723 CB SER A 54 15.214 7.659 -9.482 1.00 0.00 C ATOM 724 OG SER A 54 15.154 6.340 -9.996 1.00 0.00 O ATOM 0 H SER A 54 15.966 6.203 -7.613 1.00 0.00 H new ATOM 0 HA SER A 54 17.344 7.942 -9.433 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.367 7.833 -8.819 1.00 0.00 H new ATOM 0 HB3 SER A 54 15.131 8.375 -10.299 1.00 0.00 H new ATOM 0 HG SER A 54 14.883 5.723 -9.284 1.00 0.00 H new ATOM 730 N ALA A 55 16.038 9.160 -6.710 1.00 0.00 N ATOM 731 CA ALA A 55 15.930 10.355 -5.882 1.00 0.00 C ATOM 732 C ALA A 55 17.309 10.900 -5.523 1.00 0.00 C ATOM 733 O ALA A 55 17.598 12.076 -5.741 1.00 0.00 O ATOM 734 CB ALA A 55 15.134 10.054 -4.621 1.00 0.00 C ATOM 0 H ALA A 55 15.771 8.295 -6.239 1.00 0.00 H new ATOM 0 HA ALA A 55 15.404 11.118 -6.456 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.062 10.955 -4.013 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.133 9.719 -4.894 1.00 0.00 H new ATOM 0 HB3 ALA A 55 15.636 9.272 -4.052 1.00 0.00 H new ATOM 740 N ALA A 56 18.155 10.037 -4.970 1.00 0.00 N ATOM 741 CA ALA A 56 19.503 10.432 -4.582 1.00 0.00 C ATOM 742 C ALA A 56 20.340 10.803 -5.801 1.00 0.00 C ATOM 743 O ALA A 56 21.404 11.406 -5.676 1.00 0.00 O ATOM 744 CB ALA A 56 20.176 9.314 -3.799 1.00 0.00 C ATOM 0 H ALA A 56 17.931 9.060 -4.781 1.00 0.00 H new ATOM 0 HA ALA A 56 19.426 11.313 -3.945 1.00 0.00 H new ATOM 0 HB1 ALA A 56 21.182 9.623 -3.516 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.596 9.098 -2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 56 20.232 8.419 -4.418 1.00 0.00 H new ATOM 750 N GLY A 57 19.850 10.437 -6.983 1.00 0.00 N ATOM 751 CA GLY A 57 20.566 10.740 -8.208 1.00 0.00 C ATOM 752 C GLY A 57 20.700 12.230 -8.448 1.00 0.00 C ATOM 753 O GLY A 57 21.497 12.663 -9.281 1.00 0.00 O ATOM 0 H GLY A 57 18.971 9.937 -7.113 1.00 0.00 H new ATOM 0 HA2 GLY A 57 21.558 10.291 -8.165 1.00 0.00 H new ATOM 0 HA3 GLY A 57 20.046 10.285 -9.051 1.00 0.00 H new ATOM 757 N SER A 58 19.917 13.019 -7.719 1.00 0.00 N ATOM 758 CA SER A 58 19.948 14.470 -7.861 1.00 0.00 C ATOM 759 C SER A 58 20.859 15.099 -6.811 1.00 0.00 C ATOM 760 O SER A 58 20.949 16.323 -6.705 1.00 0.00 O ATOM 761 CB SER A 58 18.536 15.045 -7.739 1.00 0.00 C ATOM 762 OG SER A 58 18.048 14.924 -6.413 1.00 0.00 O ATOM 0 H SER A 58 19.253 12.678 -7.024 1.00 0.00 H new ATOM 0 HA SER A 58 20.344 14.706 -8.849 1.00 0.00 H new ATOM 0 HB2 SER A 58 18.541 16.094 -8.034 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.868 14.524 -8.425 1.00 0.00 H new ATOM 0 HG SER A 58 17.917 13.977 -6.198 1.00 0.00 H new ATOM 768 N ILE A 59 21.531 14.254 -6.037 1.00 0.00 N ATOM 769 CA ILE A 59 22.435 14.726 -4.996 1.00 0.00 C ATOM 770 C ILE A 59 23.813 15.044 -5.567 1.00 0.00 C ATOM 771 O ILE A 59 24.635 14.149 -5.770 1.00 0.00 O ATOM 772 CB ILE A 59 22.586 13.689 -3.867 1.00 0.00 C ATOM 773 CG1 ILE A 59 21.213 13.297 -3.318 1.00 0.00 C ATOM 774 CG2 ILE A 59 23.470 14.238 -2.757 1.00 0.00 C ATOM 775 CD1 ILE A 59 21.277 12.288 -2.193 1.00 0.00 C ATOM 0 H ILE A 59 21.466 13.239 -6.111 1.00 0.00 H new ATOM 0 HA ILE A 59 21.995 15.635 -4.586 1.00 0.00 H new ATOM 0 HB ILE A 59 23.061 12.797 -4.275 1.00 0.00 H new ATOM 0 HG12 ILE A 59 20.704 14.193 -2.963 1.00 0.00 H new ATOM 0 HG13 ILE A 59 20.610 12.887 -4.129 1.00 0.00 H new ATOM 0 HG21 ILE A 59 23.567 13.493 -1.967 1.00 0.00 H new ATOM 0 HG22 ILE A 59 24.456 14.471 -3.159 1.00 0.00 H new ATOM 0 HG23 ILE A 59 23.021 15.144 -2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 59 20.267 12.057 -1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 59 21.758 11.377 -2.549 1.00 0.00 H new ATOM 0 HD13 ILE A 59 21.852 12.702 -1.365 1.00 0.00 H new ATOM 787 N THR A 60 24.061 16.325 -5.823 1.00 0.00 N ATOM 788 CA THR A 60 25.339 16.761 -6.370 1.00 0.00 C ATOM 789 C THR A 60 26.485 16.434 -5.419 1.00 0.00 C ATOM 790 O THR A 60 26.469 16.827 -4.253 1.00 0.00 O ATOM 791 CB THR A 60 25.341 18.275 -6.655 1.00 0.00 C ATOM 792 OG1 THR A 60 26.661 18.707 -7.000 1.00 0.00 O ATOM 793 CG2 THR A 60 24.846 19.054 -5.446 1.00 0.00 C ATOM 0 H THR A 60 23.393 17.078 -5.660 1.00 0.00 H new ATOM 0 HA THR A 60 25.482 16.222 -7.306 1.00 0.00 H new ATOM 0 HB THR A 60 24.667 18.466 -7.490 1.00 0.00 H new ATOM 0 HG1 THR A 60 26.653 19.670 -7.181 1.00 0.00 H new ATOM 0 HG21 THR A 60 24.856 20.120 -5.671 1.00 0.00 H new ATOM 0 HG22 THR A 60 23.829 18.744 -5.205 1.00 0.00 H new ATOM 0 HG23 THR A 60 25.497 18.857 -4.594 1.00 0.00 H new ATOM 801 N LYS A 61 27.479 15.711 -5.925 1.00 0.00 N ATOM 802 CA LYS A 61 28.635 15.332 -5.121 1.00 0.00 C ATOM 803 C LYS A 61 28.206 14.530 -3.897 1.00 0.00 C ATOM 804 O LYS A 61 28.627 14.818 -2.775 1.00 0.00 O ATOM 805 CB LYS A 61 29.409 16.577 -4.684 1.00 0.00 C ATOM 806 CG LYS A 61 30.336 17.125 -5.755 1.00 0.00 C ATOM 807 CD LYS A 61 31.445 17.971 -5.153 1.00 0.00 C ATOM 808 CE LYS A 61 31.229 19.451 -5.429 1.00 0.00 C ATOM 809 NZ LYS A 61 32.510 20.212 -5.408 1.00 0.00 N ATOM 0 H LYS A 61 27.507 15.376 -6.888 1.00 0.00 H new ATOM 0 HA LYS A 61 29.284 14.706 -5.734 1.00 0.00 H new ATOM 0 HB2 LYS A 61 28.700 17.353 -4.398 1.00 0.00 H new ATOM 0 HB3 LYS A 61 29.995 16.337 -3.797 1.00 0.00 H new ATOM 0 HG2 LYS A 61 30.772 16.299 -6.318 1.00 0.00 H new ATOM 0 HG3 LYS A 61 29.762 17.725 -6.462 1.00 0.00 H new ATOM 0 HD2 LYS A 61 31.489 17.803 -4.077 1.00 0.00 H new ATOM 0 HD3 LYS A 61 32.405 17.660 -5.564 1.00 0.00 H new ATOM 0 HE2 LYS A 61 30.750 19.573 -6.400 1.00 0.00 H new ATOM 0 HE3 LYS A 61 30.549 19.864 -4.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 32.320 21.216 -5.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 32.955 20.117 -4.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 33.150 19.835 -6.136 1.00 0.00 H new ATOM 823 N LEU A 62 27.369 13.522 -4.118 1.00 0.00 N ATOM 824 CA LEU A 62 26.885 12.677 -3.032 1.00 0.00 C ATOM 825 C LEU A 62 28.044 12.160 -2.186 1.00 0.00 C ATOM 826 O LEU A 62 29.091 11.786 -2.713 1.00 0.00 O ATOM 827 CB LEU A 62 26.083 11.501 -3.593 1.00 0.00 C ATOM 828 CG LEU A 62 25.651 10.440 -2.581 1.00 0.00 C ATOM 829 CD1 LEU A 62 24.283 10.774 -2.007 1.00 0.00 C ATOM 830 CD2 LEU A 62 25.639 9.062 -3.226 1.00 0.00 C ATOM 0 H LEU A 62 27.012 13.270 -5.039 1.00 0.00 H new ATOM 0 HA LEU A 62 26.237 13.280 -2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 62 25.191 11.895 -4.080 1.00 0.00 H new ATOM 0 HB3 LEU A 62 26.680 11.016 -4.366 1.00 0.00 H new ATOM 0 HG LEU A 62 26.372 10.431 -1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 62 23.993 10.007 -1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 62 24.324 11.742 -1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 62 23.550 10.812 -2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 62 25.329 8.319 -2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 62 24.941 9.058 -4.063 1.00 0.00 H new ATOM 0 HD23 LEU A 62 26.639 8.820 -3.587 1.00 0.00 H new ATOM 842 N ASN A 63 27.848 12.139 -0.872 1.00 0.00 N ATOM 843 CA ASN A 63 28.877 11.665 0.047 1.00 0.00 C ATOM 844 C ASN A 63 28.513 10.295 0.612 1.00 0.00 C ATOM 845 O ASN A 63 27.663 10.181 1.495 1.00 0.00 O ATOM 846 CB ASN A 63 29.070 12.665 1.189 1.00 0.00 C ATOM 847 CG ASN A 63 30.488 12.663 1.726 1.00 0.00 C ATOM 848 OD1 ASN A 63 31.025 11.616 2.087 1.00 0.00 O ATOM 849 ND2 ASN A 63 31.102 13.839 1.781 1.00 0.00 N ATOM 0 H ASN A 63 26.987 12.445 -0.419 1.00 0.00 H new ATOM 0 HA ASN A 63 29.810 11.573 -0.508 1.00 0.00 H new ATOM 0 HB2 ASN A 63 28.819 13.666 0.838 1.00 0.00 H new ATOM 0 HB3 ASN A 63 28.378 12.427 1.997 1.00 0.00 H new ATOM 0 HD21 ASN A 63 32.057 13.900 2.133 1.00 0.00 H new ATOM 0 HD22 ASN A 63 30.618 14.682 1.471 1.00 0.00 H new ATOM 856 N THR A 64 29.164 9.257 0.096 1.00 0.00 N ATOM 857 CA THR A 64 28.909 7.895 0.548 1.00 0.00 C ATOM 858 C THR A 64 29.040 7.784 2.062 1.00 0.00 C ATOM 859 O THR A 64 28.324 7.015 2.702 1.00 0.00 O ATOM 860 CB THR A 64 29.875 6.894 -0.114 1.00 0.00 C ATOM 861 OG1 THR A 64 31.215 7.397 -0.060 1.00 0.00 O ATOM 862 CG2 THR A 64 29.482 6.638 -1.561 1.00 0.00 C ATOM 0 H THR A 64 29.871 9.334 -0.635 1.00 0.00 H new ATOM 0 HA THR A 64 27.888 7.651 0.256 1.00 0.00 H new ATOM 0 HB THR A 64 29.818 5.953 0.433 1.00 0.00 H new ATOM 0 HG1 THR A 64 31.823 6.754 -0.481 1.00 0.00 H new ATOM 0 HG21 THR A 64 30.179 5.928 -2.007 1.00 0.00 H new ATOM 0 HG22 THR A 64 28.473 6.227 -1.597 1.00 0.00 H new ATOM 0 HG23 THR A 64 29.512 7.575 -2.117 1.00 0.00 H new ATOM 870 N ASN A 65 29.958 8.559 2.631 1.00 0.00 N ATOM 871 CA ASN A 65 30.182 8.548 4.072 1.00 0.00 C ATOM 872 C ASN A 65 28.990 9.146 4.812 1.00 0.00 C ATOM 873 O ASN A 65 28.528 8.597 5.812 1.00 0.00 O ATOM 874 CB ASN A 65 31.454 9.326 4.417 1.00 0.00 C ATOM 875 CG ASN A 65 32.712 8.593 3.995 1.00 0.00 C ATOM 876 OD1 ASN A 65 32.677 7.400 3.691 1.00 0.00 O ATOM 877 ND2 ASN A 65 33.833 9.305 3.975 1.00 0.00 N ATOM 0 H ASN A 65 30.559 9.203 2.116 1.00 0.00 H new ATOM 0 HA ASN A 65 30.301 7.512 4.389 1.00 0.00 H new ATOM 0 HB2 ASN A 65 31.424 10.301 3.930 1.00 0.00 H new ATOM 0 HB3 ASN A 65 31.486 9.507 5.491 1.00 0.00 H new ATOM 0 HD21 ASN A 65 34.711 8.866 3.700 1.00 0.00 H new ATOM 0 HD22 ASN A 65 33.815 10.291 4.235 1.00 0.00 H new ATOM 884 N ASN A 66 28.496 10.274 4.313 1.00 0.00 N ATOM 885 CA ASN A 66 27.357 10.947 4.927 1.00 0.00 C ATOM 886 C ASN A 66 26.076 10.143 4.725 1.00 0.00 C ATOM 887 O ASN A 66 25.230 10.070 5.615 1.00 0.00 O ATOM 888 CB ASN A 66 27.189 12.350 4.340 1.00 0.00 C ATOM 889 CG ASN A 66 28.470 13.159 4.402 1.00 0.00 C ATOM 890 OD1 ASN A 66 29.440 12.759 5.047 1.00 0.00 O ATOM 891 ND2 ASN A 66 28.479 14.305 3.731 1.00 0.00 N ATOM 0 H ASN A 66 28.866 10.741 3.485 1.00 0.00 H new ATOM 0 HA ASN A 66 27.549 11.029 5.997 1.00 0.00 H new ATOM 0 HB2 ASN A 66 26.862 12.270 3.303 1.00 0.00 H new ATOM 0 HB3 ASN A 66 26.403 12.876 4.882 1.00 0.00 H new ATOM 0 HD21 ASN A 66 29.313 14.893 3.737 1.00 0.00 H new ATOM 0 HD22 ASN A 66 27.652 14.597 3.210 1.00 0.00 H new ATOM 898 N ALA A 67 25.942 9.540 3.548 1.00 0.00 N ATOM 899 CA ALA A 67 24.766 8.739 3.230 1.00 0.00 C ATOM 900 C ALA A 67 24.632 7.557 4.184 1.00 0.00 C ATOM 901 O ALA A 67 23.529 7.205 4.599 1.00 0.00 O ATOM 902 CB ALA A 67 24.834 8.252 1.790 1.00 0.00 C ATOM 0 H ALA A 67 26.633 9.591 2.799 1.00 0.00 H new ATOM 0 HA ALA A 67 23.885 9.369 3.348 1.00 0.00 H new ATOM 0 HB1 ALA A 67 23.950 7.655 1.566 1.00 0.00 H new ATOM 0 HB2 ALA A 67 24.874 9.109 1.118 1.00 0.00 H new ATOM 0 HB3 ALA A 67 25.727 7.642 1.654 1.00 0.00 H new ATOM 908 N ALA A 68 25.763 6.949 4.528 1.00 0.00 N ATOM 909 CA ALA A 68 25.771 5.808 5.435 1.00 0.00 C ATOM 910 C ALA A 68 25.578 6.254 6.881 1.00 0.00 C ATOM 911 O ALA A 68 25.068 5.501 7.709 1.00 0.00 O ATOM 912 CB ALA A 68 27.069 5.028 5.290 1.00 0.00 C ATOM 0 H ALA A 68 26.685 7.228 4.192 1.00 0.00 H new ATOM 0 HA ALA A 68 24.937 5.158 5.169 1.00 0.00 H new ATOM 0 HB1 ALA A 68 27.061 4.179 5.973 1.00 0.00 H new ATOM 0 HB2 ALA A 68 27.165 4.669 4.265 1.00 0.00 H new ATOM 0 HB3 ALA A 68 27.912 5.677 5.527 1.00 0.00 H new ATOM 918 N ALA A 69 25.991 7.482 7.176 1.00 0.00 N ATOM 919 CA ALA A 69 25.863 8.028 8.521 1.00 0.00 C ATOM 920 C ALA A 69 24.413 8.385 8.833 1.00 0.00 C ATOM 921 O ALA A 69 24.006 8.410 9.995 1.00 0.00 O ATOM 922 CB ALA A 69 26.755 9.250 8.682 1.00 0.00 C ATOM 0 H ALA A 69 26.417 8.117 6.501 1.00 0.00 H new ATOM 0 HA ALA A 69 26.182 7.263 9.229 1.00 0.00 H new ATOM 0 HB1 ALA A 69 26.649 9.647 9.691 1.00 0.00 H new ATOM 0 HB2 ALA A 69 27.794 8.967 8.510 1.00 0.00 H new ATOM 0 HB3 ALA A 69 26.462 10.012 7.960 1.00 0.00 H new ATOM 928 N LEU A 70 23.639 8.660 7.790 1.00 0.00 N ATOM 929 CA LEU A 70 22.234 9.016 7.952 1.00 0.00 C ATOM 930 C LEU A 70 21.475 7.917 8.688 1.00 0.00 C ATOM 931 O LEU A 70 20.867 8.141 9.735 1.00 0.00 O ATOM 932 CB LEU A 70 21.591 9.270 6.588 1.00 0.00 C ATOM 933 CG LEU A 70 20.084 9.025 6.500 1.00 0.00 C ATOM 934 CD1 LEU A 70 19.345 9.867 7.529 1.00 0.00 C ATOM 935 CD2 LEU A 70 19.575 9.326 5.098 1.00 0.00 C ATOM 0 H LEU A 70 23.961 8.643 6.822 1.00 0.00 H new ATOM 0 HA LEU A 70 22.182 9.928 8.546 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.788 10.303 6.303 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.085 8.636 5.852 1.00 0.00 H new ATOM 0 HG LEU A 70 19.894 7.974 6.716 1.00 0.00 H new ATOM 0 HD11 LEU A 70 18.274 9.679 7.451 1.00 0.00 H new ATOM 0 HD12 LEU A 70 19.688 9.603 8.529 1.00 0.00 H new ATOM 0 HD13 LEU A 70 19.543 10.923 7.345 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.501 9.146 5.054 1.00 0.00 H new ATOM 0 HD22 LEU A 70 19.778 10.368 4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 70 20.081 8.679 4.381 1.00 0.00 H new ATOM 947 N PRO A 71 21.512 6.697 8.131 1.00 0.00 N ATOM 948 CA PRO A 71 20.836 5.537 8.719 1.00 0.00 C ATOM 949 C PRO A 71 21.498 5.074 10.011 1.00 0.00 C ATOM 950 O PRO A 71 20.821 4.696 10.967 1.00 0.00 O ATOM 951 CB PRO A 71 20.966 4.464 7.636 1.00 0.00 C ATOM 952 CG PRO A 71 22.177 4.854 6.860 1.00 0.00 C ATOM 953 CD PRO A 71 22.217 6.357 6.884 1.00 0.00 C ATOM 0 HA PRO A 71 19.805 5.762 8.993 1.00 0.00 H new ATOM 0 HB2 PRO A 71 21.078 3.472 8.073 1.00 0.00 H new ATOM 0 HB3 PRO A 71 20.081 4.434 7.000 1.00 0.00 H new ATOM 0 HG2 PRO A 71 23.078 4.432 7.305 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.122 4.481 5.837 1.00 0.00 H new ATOM 0 HD2 PRO A 71 23.241 6.732 6.886 1.00 0.00 H new ATOM 0 HD3 PRO A 71 21.722 6.786 6.013 1.00 0.00 H new ATOM 961 N GLY A 72 22.827 5.105 10.034 1.00 0.00 N ATOM 962 CA GLY A 72 23.559 4.686 11.215 1.00 0.00 C ATOM 963 C GLY A 72 23.327 5.605 12.398 1.00 0.00 C ATOM 964 O GLY A 72 23.280 5.156 13.544 1.00 0.00 O ATOM 0 H GLY A 72 23.410 5.413 9.256 1.00 0.00 H new ATOM 0 HA2 GLY A 72 23.261 3.672 11.483 1.00 0.00 H new ATOM 0 HA3 GLY A 72 24.624 4.655 10.986 1.00 0.00 H new ATOM 968 N LYS A 73 23.182 6.897 12.122 1.00 0.00 N ATOM 969 CA LYS A 73 22.954 7.883 13.172 1.00 0.00 C ATOM 970 C LYS A 73 21.509 7.836 13.658 1.00 0.00 C ATOM 971 O LYS A 73 21.224 8.132 14.819 1.00 0.00 O ATOM 972 CB LYS A 73 23.286 9.287 12.661 1.00 0.00 C ATOM 973 CG LYS A 73 24.776 9.550 12.530 1.00 0.00 C ATOM 974 CD LYS A 73 25.230 10.666 13.455 1.00 0.00 C ATOM 975 CE LYS A 73 26.450 11.387 12.903 1.00 0.00 C ATOM 976 NZ LYS A 73 26.903 12.481 13.806 1.00 0.00 N ATOM 0 H LYS A 73 23.218 7.286 11.180 1.00 0.00 H new ATOM 0 HA LYS A 73 23.608 7.643 14.010 1.00 0.00 H new ATOM 0 HB2 LYS A 73 22.813 9.432 11.690 1.00 0.00 H new ATOM 0 HB3 LYS A 73 22.854 10.023 13.339 1.00 0.00 H new ATOM 0 HG2 LYS A 73 25.328 8.639 12.760 1.00 0.00 H new ATOM 0 HG3 LYS A 73 25.010 9.813 11.499 1.00 0.00 H new ATOM 0 HD2 LYS A 73 24.417 11.379 13.593 1.00 0.00 H new ATOM 0 HD3 LYS A 73 25.463 10.254 14.437 1.00 0.00 H new ATOM 0 HE2 LYS A 73 27.261 10.673 12.762 1.00 0.00 H new ATOM 0 HE3 LYS A 73 26.215 11.800 11.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 27.736 12.948 13.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 26.138 13.176 13.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 27.152 12.084 14.735 1.00 0.00 H new ATOM 990 N CYS A 74 20.601 7.459 12.764 1.00 0.00 N ATOM 991 CA CYS A 74 19.185 7.372 13.102 1.00 0.00 C ATOM 992 C CYS A 74 18.867 6.038 13.771 1.00 0.00 C ATOM 993 O CYS A 74 17.717 5.757 14.104 1.00 0.00 O ATOM 994 CB CYS A 74 18.329 7.542 11.846 1.00 0.00 C ATOM 995 SG CYS A 74 18.368 9.221 11.140 1.00 0.00 S ATOM 0 H CYS A 74 20.820 7.209 11.800 1.00 0.00 H new ATOM 0 HA CYS A 74 18.954 8.174 13.803 1.00 0.00 H new ATOM 0 HB2 CYS A 74 18.668 6.834 11.090 1.00 0.00 H new ATOM 0 HB3 CYS A 74 17.297 7.284 12.085 1.00 0.00 H new ATOM 1000 N GLY A 75 19.897 5.219 13.966 1.00 0.00 N ATOM 1001 CA GLY A 75 19.707 3.925 14.595 1.00 0.00 C ATOM 1002 C GLY A 75 18.961 2.952 13.704 1.00 0.00 C ATOM 1003 O GLY A 75 18.563 1.874 14.146 1.00 0.00 O ATOM 0 H GLY A 75 20.859 5.429 13.700 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.679 3.504 14.854 1.00 0.00 H new ATOM 0 HA3 GLY A 75 19.157 4.055 15.527 1.00 0.00 H new ATOM 1007 N VAL A 76 18.768 3.333 12.445 1.00 0.00 N ATOM 1008 CA VAL A 76 18.064 2.486 11.490 1.00 0.00 C ATOM 1009 C VAL A 76 18.953 2.143 10.300 1.00 0.00 C ATOM 1010 O VAL A 76 19.409 3.028 9.577 1.00 0.00 O ATOM 1011 CB VAL A 76 16.779 3.165 10.978 1.00 0.00 C ATOM 1012 CG1 VAL A 76 17.096 4.529 10.385 1.00 0.00 C ATOM 1013 CG2 VAL A 76 16.079 2.280 9.958 1.00 0.00 C ATOM 0 H VAL A 76 19.089 4.223 12.063 1.00 0.00 H new ATOM 0 HA VAL A 76 17.797 1.570 12.016 1.00 0.00 H new ATOM 0 HB VAL A 76 16.104 3.310 11.822 1.00 0.00 H new ATOM 0 HG11 VAL A 76 16.177 4.993 10.029 1.00 0.00 H new ATOM 0 HG12 VAL A 76 17.550 5.161 11.148 1.00 0.00 H new ATOM 0 HG13 VAL A 76 17.789 4.411 9.552 1.00 0.00 H new ATOM 0 HG21 VAL A 76 15.174 2.775 9.607 1.00 0.00 H new ATOM 0 HG22 VAL A 76 16.745 2.101 9.114 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.816 1.329 10.421 1.00 0.00 H new ATOM 1023 N ASN A 77 19.194 0.851 10.102 1.00 0.00 N ATOM 1024 CA ASN A 77 20.030 0.390 8.998 1.00 0.00 C ATOM 1025 C ASN A 77 19.174 -0.170 7.866 1.00 0.00 C ATOM 1026 O ASN A 77 18.048 -0.615 8.087 1.00 0.00 O ATOM 1027 CB ASN A 77 21.012 -0.677 9.486 1.00 0.00 C ATOM 1028 CG ASN A 77 22.142 -0.914 8.503 1.00 0.00 C ATOM 1029 OD1 ASN A 77 22.040 -1.760 7.615 1.00 0.00 O ATOM 1030 ND2 ASN A 77 23.228 -0.166 8.659 1.00 0.00 N ATOM 0 H ASN A 77 18.823 0.105 10.691 1.00 0.00 H new ATOM 0 HA ASN A 77 20.591 1.244 8.618 1.00 0.00 H new ATOM 0 HB2 ASN A 77 21.427 -0.373 10.447 1.00 0.00 H new ATOM 0 HB3 ASN A 77 20.476 -1.612 9.652 1.00 0.00 H new ATOM 0 HD21 ASN A 77 24.021 -0.281 8.028 1.00 0.00 H new ATOM 0 HD22 ASN A 77 23.269 0.524 9.409 1.00 0.00 H new ATOM 1037 N ILE A 78 19.718 -0.144 6.653 1.00 0.00 N ATOM 1038 CA ILE A 78 19.006 -0.651 5.487 1.00 0.00 C ATOM 1039 C ILE A 78 19.660 -1.920 4.952 1.00 0.00 C ATOM 1040 O ILE A 78 20.869 -2.120 5.065 1.00 0.00 O ATOM 1041 CB ILE A 78 18.951 0.399 4.361 1.00 0.00 C ATOM 1042 CG1 ILE A 78 20.322 1.052 4.175 1.00 0.00 C ATOM 1043 CG2 ILE A 78 17.895 1.451 4.669 1.00 0.00 C ATOM 1044 CD1 ILE A 78 20.532 2.273 5.042 1.00 0.00 C ATOM 0 H ILE A 78 20.649 0.223 6.453 1.00 0.00 H new ATOM 0 HA ILE A 78 17.990 -0.878 5.811 1.00 0.00 H new ATOM 0 HB ILE A 78 18.678 -0.101 3.431 1.00 0.00 H new ATOM 0 HG12 ILE A 78 21.098 0.320 4.399 1.00 0.00 H new ATOM 0 HG13 ILE A 78 20.442 1.334 3.129 1.00 0.00 H new ATOM 0 HG21 ILE A 78 17.868 2.186 3.864 1.00 0.00 H new ATOM 0 HG22 ILE A 78 16.919 0.973 4.756 1.00 0.00 H new ATOM 0 HG23 ILE A 78 18.140 1.949 5.607 1.00 0.00 H new ATOM 0 HD11 ILE A 78 21.525 2.684 4.858 1.00 0.00 H new ATOM 0 HD12 ILE A 78 19.779 3.023 4.802 1.00 0.00 H new ATOM 0 HD13 ILE A 78 20.444 1.993 6.092 1.00 0.00 H new ATOM 1056 N PRO A 79 18.843 -2.799 4.352 1.00 0.00 N ATOM 1057 CA PRO A 79 19.321 -4.063 3.784 1.00 0.00 C ATOM 1058 C PRO A 79 20.172 -3.854 2.536 1.00 0.00 C ATOM 1059 O PRO A 79 20.927 -4.739 2.132 1.00 0.00 O ATOM 1060 CB PRO A 79 18.028 -4.804 3.431 1.00 0.00 C ATOM 1061 CG PRO A 79 17.018 -3.728 3.229 1.00 0.00 C ATOM 1062 CD PRO A 79 17.391 -2.625 4.181 1.00 0.00 C ATOM 0 HA PRO A 79 19.964 -4.604 4.478 1.00 0.00 H new ATOM 0 HB2 PRO A 79 18.150 -5.406 2.531 1.00 0.00 H new ATOM 0 HB3 PRO A 79 17.729 -5.482 4.230 1.00 0.00 H new ATOM 0 HG2 PRO A 79 17.027 -3.373 2.198 1.00 0.00 H new ATOM 0 HG3 PRO A 79 16.012 -4.095 3.432 1.00 0.00 H new ATOM 0 HD2 PRO A 79 17.149 -1.643 3.773 1.00 0.00 H new ATOM 0 HD3 PRO A 79 16.861 -2.716 5.129 1.00 0.00 H new ATOM 1070 N TYR A 80 20.046 -2.678 1.931 1.00 0.00 N ATOM 1071 CA TYR A 80 20.803 -2.354 0.727 1.00 0.00 C ATOM 1072 C TYR A 80 21.600 -1.066 0.916 1.00 0.00 C ATOM 1073 O TYR A 80 21.402 -0.335 1.887 1.00 0.00 O ATOM 1074 CB TYR A 80 19.862 -2.214 -0.470 1.00 0.00 C ATOM 1075 CG TYR A 80 18.826 -3.312 -0.558 1.00 0.00 C ATOM 1076 CD1 TYR A 80 19.192 -4.616 -0.870 1.00 0.00 C ATOM 1077 CD2 TYR A 80 17.482 -3.046 -0.327 1.00 0.00 C ATOM 1078 CE1 TYR A 80 18.248 -5.622 -0.951 1.00 0.00 C ATOM 1079 CE2 TYR A 80 16.532 -4.046 -0.405 1.00 0.00 C ATOM 1080 CZ TYR A 80 16.920 -5.332 -0.718 1.00 0.00 C ATOM 1081 OH TYR A 80 15.978 -6.331 -0.797 1.00 0.00 O ATOM 0 H TYR A 80 19.428 -1.934 2.254 1.00 0.00 H new ATOM 0 HA TYR A 80 21.502 -3.168 0.537 1.00 0.00 H new ATOM 0 HB2 TYR A 80 19.355 -1.251 -0.412 1.00 0.00 H new ATOM 0 HB3 TYR A 80 20.452 -2.208 -1.387 1.00 0.00 H new ATOM 0 HD1 TYR A 80 20.231 -4.847 -1.052 1.00 0.00 H new ATOM 0 HD2 TYR A 80 17.175 -2.040 -0.082 1.00 0.00 H new ATOM 0 HE1 TYR A 80 18.549 -6.630 -1.195 1.00 0.00 H new ATOM 0 HE2 TYR A 80 15.491 -3.822 -0.222 1.00 0.00 H new ATOM 0 HH TYR A 80 15.091 -5.961 -0.604 1.00 0.00 H new ATOM 1091 N LYS A 81 22.501 -0.793 -0.022 1.00 0.00 N ATOM 1092 CA LYS A 81 23.327 0.407 0.037 1.00 0.00 C ATOM 1093 C LYS A 81 22.597 1.600 -0.570 1.00 0.00 C ATOM 1094 O LYS A 81 21.587 1.439 -1.256 1.00 0.00 O ATOM 1095 CB LYS A 81 24.650 0.176 -0.698 1.00 0.00 C ATOM 1096 CG LYS A 81 25.542 -0.860 -0.036 1.00 0.00 C ATOM 1097 CD LYS A 81 26.915 -0.292 0.282 1.00 0.00 C ATOM 1098 CE LYS A 81 27.786 -1.310 1.002 1.00 0.00 C ATOM 1099 NZ LYS A 81 29.078 -1.533 0.295 1.00 0.00 N ATOM 0 H LYS A 81 22.678 -1.387 -0.832 1.00 0.00 H new ATOM 0 HA LYS A 81 23.534 0.625 1.085 1.00 0.00 H new ATOM 0 HB2 LYS A 81 24.438 -0.139 -1.720 1.00 0.00 H new ATOM 0 HB3 LYS A 81 25.190 1.121 -0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 81 25.072 -1.213 0.882 1.00 0.00 H new ATOM 0 HG3 LYS A 81 25.648 -1.724 -0.693 1.00 0.00 H new ATOM 0 HD2 LYS A 81 27.404 0.019 -0.641 1.00 0.00 H new ATOM 0 HD3 LYS A 81 26.807 0.599 0.901 1.00 0.00 H new ATOM 0 HE2 LYS A 81 27.982 -0.966 2.018 1.00 0.00 H new ATOM 0 HE3 LYS A 81 27.249 -2.255 1.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 29.643 -2.233 0.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 28.892 -1.885 -0.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 29.603 -0.637 0.240 1.00 0.00 H new ATOM 1113 N ILE A 82 23.115 2.797 -0.315 1.00 0.00 N ATOM 1114 CA ILE A 82 22.514 4.017 -0.840 1.00 0.00 C ATOM 1115 C ILE A 82 23.451 4.715 -1.819 1.00 0.00 C ATOM 1116 O ILE A 82 24.316 5.494 -1.419 1.00 0.00 O ATOM 1117 CB ILE A 82 22.150 4.996 0.292 1.00 0.00 C ATOM 1118 CG1 ILE A 82 21.635 4.230 1.513 1.00 0.00 C ATOM 1119 CG2 ILE A 82 21.110 5.998 -0.189 1.00 0.00 C ATOM 1120 CD1 ILE A 82 20.464 3.322 1.207 1.00 0.00 C ATOM 0 H ILE A 82 23.949 2.948 0.252 1.00 0.00 H new ATOM 0 HA ILE A 82 21.604 3.721 -1.361 1.00 0.00 H new ATOM 0 HB ILE A 82 23.047 5.543 0.582 1.00 0.00 H new ATOM 0 HG12 ILE A 82 22.448 3.634 1.927 1.00 0.00 H new ATOM 0 HG13 ILE A 82 21.340 4.944 2.282 1.00 0.00 H new ATOM 0 HG21 ILE A 82 20.863 6.683 0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 82 21.510 6.562 -1.031 1.00 0.00 H new ATOM 0 HG23 ILE A 82 20.211 5.467 -0.502 1.00 0.00 H new ATOM 0 HD11 ILE A 82 20.152 2.811 2.118 1.00 0.00 H new ATOM 0 HD12 ILE A 82 19.635 3.915 0.821 1.00 0.00 H new ATOM 0 HD13 ILE A 82 20.761 2.585 0.461 1.00 0.00 H new ATOM 1132 N SER A 83 23.272 4.431 -3.105 1.00 0.00 N ATOM 1133 CA SER A 83 24.103 5.031 -4.143 1.00 0.00 C ATOM 1134 C SER A 83 23.606 4.638 -5.531 1.00 0.00 C ATOM 1135 O SER A 83 22.604 3.936 -5.670 1.00 0.00 O ATOM 1136 CB SER A 83 25.561 4.600 -3.970 1.00 0.00 C ATOM 1137 OG SER A 83 26.417 5.350 -4.815 1.00 0.00 O ATOM 0 H SER A 83 22.559 3.790 -3.453 1.00 0.00 H new ATOM 0 HA SER A 83 24.038 6.115 -4.046 1.00 0.00 H new ATOM 0 HB2 SER A 83 25.862 4.733 -2.931 1.00 0.00 H new ATOM 0 HB3 SER A 83 25.659 3.538 -4.197 1.00 0.00 H new ATOM 0 HG SER A 83 27.343 5.058 -4.685 1.00 0.00 H new ATOM 1143 N THR A 84 24.314 5.098 -6.558 1.00 0.00 N ATOM 1144 CA THR A 84 23.945 4.797 -7.936 1.00 0.00 C ATOM 1145 C THR A 84 24.437 3.414 -8.347 1.00 0.00 C ATOM 1146 O THR A 84 24.231 2.982 -9.481 1.00 0.00 O ATOM 1147 CB THR A 84 24.517 5.844 -8.911 1.00 0.00 C ATOM 1148 OG1 THR A 84 25.880 6.130 -8.579 1.00 0.00 O ATOM 1149 CG2 THR A 84 23.700 7.126 -8.869 1.00 0.00 C ATOM 0 H THR A 84 25.146 5.680 -6.462 1.00 0.00 H new ATOM 0 HA THR A 84 22.856 4.821 -7.985 1.00 0.00 H new ATOM 0 HB THR A 84 24.468 5.433 -9.920 1.00 0.00 H new ATOM 0 HG1 THR A 84 26.236 6.795 -9.204 1.00 0.00 H new ATOM 0 HG21 THR A 84 24.123 7.850 -9.565 1.00 0.00 H new ATOM 0 HG22 THR A 84 22.670 6.910 -9.151 1.00 0.00 H new ATOM 0 HG23 THR A 84 23.721 7.538 -7.860 1.00 0.00 H new ATOM 1157 N THR A 85 25.088 2.722 -7.417 1.00 0.00 N ATOM 1158 CA THR A 85 25.610 1.387 -7.683 1.00 0.00 C ATOM 1159 C THR A 85 24.889 0.338 -6.844 1.00 0.00 C ATOM 1160 O THR A 85 25.517 -0.557 -6.277 1.00 0.00 O ATOM 1161 CB THR A 85 27.121 1.308 -7.397 1.00 0.00 C ATOM 1162 OG1 THR A 85 27.366 1.490 -5.998 1.00 0.00 O ATOM 1163 CG2 THR A 85 27.878 2.362 -8.191 1.00 0.00 C ATOM 0 H THR A 85 25.266 3.064 -6.473 1.00 0.00 H new ATOM 0 HA THR A 85 25.437 1.184 -8.740 1.00 0.00 H new ATOM 0 HB THR A 85 27.474 0.323 -7.702 1.00 0.00 H new ATOM 0 HG1 THR A 85 28.329 1.437 -5.825 1.00 0.00 H new ATOM 0 HG21 THR A 85 28.943 2.287 -7.973 1.00 0.00 H new ATOM 0 HG22 THR A 85 27.714 2.202 -9.257 1.00 0.00 H new ATOM 0 HG23 THR A 85 27.520 3.353 -7.913 1.00 0.00 H new ATOM 1171 N THR A 86 23.567 0.453 -6.769 1.00 0.00 N ATOM 1172 CA THR A 86 22.761 -0.485 -5.999 1.00 0.00 C ATOM 1173 C THR A 86 21.641 -1.075 -6.848 1.00 0.00 C ATOM 1174 O THR A 86 21.051 -0.385 -7.679 1.00 0.00 O ATOM 1175 CB THR A 86 22.147 0.189 -4.757 1.00 0.00 C ATOM 1176 OG1 THR A 86 23.184 0.583 -3.851 1.00 0.00 O ATOM 1177 CG2 THR A 86 21.182 -0.752 -4.052 1.00 0.00 C ATOM 0 H THR A 86 23.032 1.187 -7.233 1.00 0.00 H new ATOM 0 HA THR A 86 23.429 -1.284 -5.677 1.00 0.00 H new ATOM 0 HB THR A 86 21.596 1.071 -5.084 1.00 0.00 H new ATOM 0 HG1 THR A 86 22.843 1.272 -3.244 1.00 0.00 H new ATOM 0 HG21 THR A 86 20.761 -0.254 -3.178 1.00 0.00 H new ATOM 0 HG22 THR A 86 20.378 -1.028 -4.735 1.00 0.00 H new ATOM 0 HG23 THR A 86 21.714 -1.650 -3.737 1.00 0.00 H new ATOM 1185 N ASN A 87 21.352 -2.354 -6.634 1.00 0.00 N ATOM 1186 CA ASN A 87 20.302 -3.036 -7.381 1.00 0.00 C ATOM 1187 C ASN A 87 19.485 -3.944 -6.465 1.00 0.00 C ATOM 1188 O ASN A 87 19.858 -5.090 -6.216 1.00 0.00 O ATOM 1189 CB ASN A 87 20.908 -3.856 -8.521 1.00 0.00 C ATOM 1190 CG ASN A 87 19.877 -4.253 -9.560 1.00 0.00 C ATOM 1191 OD1 ASN A 87 18.675 -4.092 -9.350 1.00 0.00 O ATOM 1192 ND2 ASN A 87 20.344 -4.774 -10.688 1.00 0.00 N ATOM 0 H ASN A 87 21.830 -2.939 -5.949 1.00 0.00 H new ATOM 0 HA ASN A 87 19.639 -2.279 -7.800 1.00 0.00 H new ATOM 0 HB2 ASN A 87 21.699 -3.278 -9.000 1.00 0.00 H new ATOM 0 HB3 ASN A 87 21.372 -4.754 -8.112 1.00 0.00 H new ATOM 0 HD21 ASN A 87 19.698 -5.059 -11.424 1.00 0.00 H new ATOM 0 HD22 ASN A 87 21.349 -4.889 -10.819 1.00 0.00 H new ATOM 1199 N CYS A 88 18.368 -3.423 -5.968 1.00 0.00 N ATOM 1200 CA CYS A 88 17.498 -4.184 -5.081 1.00 0.00 C ATOM 1201 C CYS A 88 16.610 -5.137 -5.876 1.00 0.00 C ATOM 1202 O CYS A 88 16.092 -6.114 -5.337 1.00 0.00 O ATOM 1203 CB CYS A 88 16.632 -3.238 -4.247 1.00 0.00 C ATOM 1204 SG CYS A 88 17.549 -1.851 -3.503 1.00 0.00 S ATOM 0 H CYS A 88 18.044 -2.476 -6.165 1.00 0.00 H new ATOM 0 HA CYS A 88 18.127 -4.773 -4.414 1.00 0.00 H new ATOM 0 HB2 CYS A 88 15.838 -2.838 -4.878 1.00 0.00 H new ATOM 0 HB3 CYS A 88 16.150 -3.809 -3.453 1.00 0.00 H new ATOM 1209 N ASN A 89 16.439 -4.844 -7.161 1.00 0.00 N ATOM 1210 CA ASN A 89 15.613 -5.674 -8.031 1.00 0.00 C ATOM 1211 C ASN A 89 16.284 -7.018 -8.296 1.00 0.00 C ATOM 1212 O ASN A 89 15.631 -7.981 -8.700 1.00 0.00 O ATOM 1213 CB ASN A 89 15.347 -4.954 -9.355 1.00 0.00 C ATOM 1214 CG ASN A 89 14.823 -3.545 -9.151 1.00 0.00 C ATOM 1215 OD1 ASN A 89 14.290 -3.216 -8.092 1.00 0.00 O ATOM 1216 ND2 ASN A 89 14.974 -2.706 -10.169 1.00 0.00 N ATOM 0 H ASN A 89 16.861 -4.038 -7.623 1.00 0.00 H new ATOM 0 HA ASN A 89 14.664 -5.855 -7.526 1.00 0.00 H new ATOM 0 HB2 ASN A 89 16.268 -4.916 -9.936 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.626 -5.526 -9.938 1.00 0.00 H new ATOM 0 HD21 ASN A 89 14.642 -1.745 -10.091 1.00 0.00 H new ATOM 0 HD22 ASN A 89 15.422 -3.023 -11.029 1.00 0.00 H new ATOM 1223 N THR A 90 17.592 -7.077 -8.066 1.00 0.00 N ATOM 1224 CA THR A 90 18.351 -8.302 -8.280 1.00 0.00 C ATOM 1225 C THR A 90 18.482 -9.101 -6.989 1.00 0.00 C ATOM 1226 O THR A 90 18.742 -10.304 -7.015 1.00 0.00 O ATOM 1227 CB THR A 90 19.758 -8.002 -8.830 1.00 0.00 C ATOM 1228 OG1 THR A 90 20.220 -6.741 -8.332 1.00 0.00 O ATOM 1229 CG2 THR A 90 19.753 -7.981 -10.351 1.00 0.00 C ATOM 0 H THR A 90 18.148 -6.290 -7.731 1.00 0.00 H new ATOM 0 HA THR A 90 17.800 -8.891 -9.013 1.00 0.00 H new ATOM 0 HB THR A 90 20.430 -8.793 -8.496 1.00 0.00 H new ATOM 0 HG1 THR A 90 19.905 -6.617 -7.412 1.00 0.00 H new ATOM 0 HG21 THR A 90 20.758 -7.767 -10.715 1.00 0.00 H new ATOM 0 HG22 THR A 90 19.430 -8.952 -10.727 1.00 0.00 H new ATOM 0 HG23 THR A 90 19.068 -7.209 -10.702 1.00 0.00 H new ATOM 1237 N VAL A 91 18.299 -8.425 -5.859 1.00 0.00 N ATOM 1238 CA VAL A 91 18.395 -9.073 -4.556 1.00 0.00 C ATOM 1239 C VAL A 91 17.024 -9.520 -4.063 1.00 0.00 C ATOM 1240 O VAL A 91 16.076 -8.735 -4.031 1.00 0.00 O ATOM 1241 CB VAL A 91 19.025 -8.136 -3.509 1.00 0.00 C ATOM 1242 CG1 VAL A 91 19.310 -8.891 -2.219 1.00 0.00 C ATOM 1243 CG2 VAL A 91 20.294 -7.502 -4.056 1.00 0.00 C ATOM 0 H VAL A 91 18.083 -7.429 -5.820 1.00 0.00 H new ATOM 0 HA VAL A 91 19.035 -9.946 -4.682 1.00 0.00 H new ATOM 0 HB VAL A 91 18.315 -7.339 -3.287 1.00 0.00 H new ATOM 0 HG11 VAL A 91 19.755 -8.213 -1.491 1.00 0.00 H new ATOM 0 HG12 VAL A 91 18.379 -9.292 -1.819 1.00 0.00 H new ATOM 0 HG13 VAL A 91 20.001 -9.710 -2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 91 20.725 -6.843 -3.303 1.00 0.00 H new ATOM 0 HG22 VAL A 91 21.011 -8.283 -4.309 1.00 0.00 H new ATOM 0 HG23 VAL A 91 20.056 -6.925 -4.950 1.00 0.00 H new ATOM 1253 N LYS A 92 16.924 -10.788 -3.677 1.00 0.00 N ATOM 1254 CA LYS A 92 15.669 -11.342 -3.183 1.00 0.00 C ATOM 1255 C LYS A 92 15.772 -11.683 -1.700 1.00 0.00 C ATOM 1256 O LYS A 92 16.500 -12.598 -1.312 1.00 0.00 O ATOM 1257 CB LYS A 92 15.291 -12.592 -3.980 1.00 0.00 C ATOM 1258 CG LYS A 92 14.463 -12.296 -5.219 1.00 0.00 C ATOM 1259 CD LYS A 92 13.027 -11.953 -4.862 1.00 0.00 C ATOM 1260 CE LYS A 92 12.129 -13.180 -4.925 1.00 0.00 C ATOM 1261 NZ LYS A 92 11.487 -13.465 -3.612 1.00 0.00 N ATOM 0 H LYS A 92 17.698 -11.452 -3.697 1.00 0.00 H new ATOM 0 HA LYS A 92 14.892 -10.588 -3.311 1.00 0.00 H new ATOM 0 HB2 LYS A 92 16.202 -13.112 -4.277 1.00 0.00 H new ATOM 0 HB3 LYS A 92 14.733 -13.270 -3.334 1.00 0.00 H new ATOM 0 HG2 LYS A 92 14.910 -11.467 -5.767 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.477 -13.161 -5.882 1.00 0.00 H new ATOM 0 HD2 LYS A 92 12.992 -11.526 -3.860 1.00 0.00 H new ATOM 0 HD3 LYS A 92 12.653 -11.191 -5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.358 -13.028 -5.681 1.00 0.00 H new ATOM 0 HE3 LYS A 92 12.716 -14.044 -5.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.884 -14.308 -3.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.222 -13.635 -2.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.907 -12.651 -3.325 1.00 0.00 H new ATOM 1275 N PHE A 93 15.039 -10.944 -0.874 1.00 0.00 N ATOM 1276 CA PHE A 93 15.047 -11.170 0.566 1.00 0.00 C ATOM 1277 C PHE A 93 16.474 -11.172 1.108 1.00 0.00 C ATOM 1278 O PHE A 93 17.002 -10.130 1.495 1.00 0.00 O ATOM 1279 CB PHE A 93 14.361 -12.496 0.900 1.00 0.00 C ATOM 1280 CG PHE A 93 12.884 -12.363 1.140 1.00 0.00 C ATOM 1281 CD1 PHE A 93 12.402 -11.517 2.126 1.00 0.00 C ATOM 1282 CD2 PHE A 93 11.978 -13.084 0.379 1.00 0.00 C ATOM 1283 CE1 PHE A 93 11.044 -11.392 2.348 1.00 0.00 C ATOM 1284 CE2 PHE A 93 10.619 -12.963 0.596 1.00 0.00 C ATOM 1285 CZ PHE A 93 10.151 -12.117 1.583 1.00 0.00 C ATOM 0 H PHE A 93 14.432 -10.183 -1.178 1.00 0.00 H new ATOM 0 HA PHE A 93 14.498 -10.356 1.039 1.00 0.00 H new ATOM 0 HB2 PHE A 93 14.526 -13.198 0.082 1.00 0.00 H new ATOM 0 HB3 PHE A 93 14.828 -12.924 1.787 1.00 0.00 H new ATOM 0 HD1 PHE A 93 13.096 -10.949 2.728 1.00 0.00 H new ATOM 0 HD2 PHE A 93 12.338 -13.748 -0.393 1.00 0.00 H new ATOM 0 HE1 PHE A 93 10.681 -10.728 3.119 1.00 0.00 H new ATOM 0 HE2 PHE A 93 9.923 -13.529 -0.005 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.089 -12.023 1.756 1.00 0.00 H new TER 1295 PHE A 93