USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 677 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 24 ASN : amide:sc= -1.31 K(o=-1.3,f=-2.4!) USER MOD Set 1.2: A 26 TYR OH : rot 30:sc= 0.0515 USER MOD Set 2.1: A 11 SER OG : rot 136:sc= 1.2 USER MOD Set 2.2: A 21 ASN : amide:sc= -1.18! X(o=0.022!,f=-0.45) USER MOD Single : A 4 THR OG1 : rot 17:sc= 0.493 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 10 TYR OH : rot -100:sc= 1.05 USER MOD Single : A 13 HIS : no HD1:sc= -0.246 X(o=-0.25,f=-0.085) USER MOD Single : A 17 ASN : amide:sc= -3.75! C(o=-3.7!,f=-7.1!) USER MOD Single : A 19 LYS NZ :NH3+ 166:sc=-0.00112 (180deg=-0.0826) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 150:sc= -1.16 USER MOD Single : A 31 HIS : no HD1:sc= -4.39! C(o=-4.4!,f=-5!) USER MOD Single : A 33 SER OG : rot 180:sc=0.000324 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -1.87! C(o=-1.9!,f=-4.3!) USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= -0.0257 (180deg=-0.198) USER MOD Single : A 51 HIS : no HD1:sc= -0.454 X(o=-0.45,f=-0.0019) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -20:sc= 0.718 USER MOD Single : A 75 LYS NZ :NH3+ -159:sc= 0.155 (180deg=0.0689) USER MOD Single : A 78 TYR OH : rot 125:sc= 1.12 USER MOD Single : A 83 ASN : amide:sc= -0.21 K(o=-0.21,f=-1.1) USER MOD Single : A 84 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-3!) USER MOD Single : A 86 THR OG1 : rot 105:sc= -1.36 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0579) USER MOD ----------------------------------------------------------------- ATOM 36 N ARG A 3 -17.369 -5.097 -4.339 1.00 0.00 N ATOM 37 CA ARG A 3 -16.443 -4.651 -5.362 1.00 0.00 C ATOM 38 C ARG A 3 -15.011 -4.926 -4.930 1.00 0.00 C ATOM 39 O ARG A 3 -14.633 -4.637 -3.794 1.00 0.00 O ATOM 40 CB ARG A 3 -16.665 -3.160 -5.629 1.00 0.00 C ATOM 41 CG ARG A 3 -15.620 -2.503 -6.532 1.00 0.00 C ATOM 42 CD ARG A 3 -16.159 -1.216 -7.144 1.00 0.00 C ATOM 43 NE ARG A 3 -16.866 -0.377 -6.169 1.00 0.00 N ATOM 44 CZ ARG A 3 -17.031 0.939 -6.305 1.00 0.00 C ATOM 45 NH1 ARG A 3 -16.486 1.572 -7.338 1.00 0.00 N ATOM 46 NH2 ARG A 3 -17.739 1.618 -5.406 1.00 0.00 N ATOM 0 HA ARG A 3 -16.622 -5.201 -6.286 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.648 -3.030 -6.082 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.681 -2.634 -4.675 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.720 -2.287 -5.956 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -15.333 -3.194 -7.324 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -15.333 -0.649 -7.573 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -16.835 -1.463 -7.962 1.00 0.00 H new ATOM 0 HE ARG A 3 -17.253 -0.827 -5.340 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -15.942 1.051 -8.026 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -16.612 2.579 -7.443 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -18.156 1.132 -4.612 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -17.865 2.625 -5.511 1.00 0.00 H new ATOM 60 N THR A 4 -14.224 -5.490 -5.837 1.00 0.00 N ATOM 61 CA THR A 4 -12.871 -5.908 -5.516 1.00 0.00 C ATOM 62 C THR A 4 -11.938 -4.702 -5.411 1.00 0.00 C ATOM 63 O THR A 4 -11.829 -3.915 -6.358 1.00 0.00 O ATOM 64 CB THR A 4 -12.306 -6.883 -6.580 1.00 0.00 C ATOM 65 OG1 THR A 4 -12.073 -6.189 -7.812 1.00 0.00 O ATOM 66 CG2 THR A 4 -13.254 -8.043 -6.842 1.00 0.00 C ATOM 0 H THR A 4 -14.503 -5.668 -6.802 1.00 0.00 H new ATOM 0 HA THR A 4 -12.920 -6.421 -4.555 1.00 0.00 H new ATOM 0 HB THR A 4 -11.370 -7.281 -6.188 1.00 0.00 H new ATOM 0 HG1 THR A 4 -12.059 -5.223 -7.646 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.822 -8.704 -7.594 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.413 -8.599 -5.918 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.208 -7.659 -7.202 1.00 0.00 H new ATOM 74 N PRO A 5 -11.260 -4.527 -4.261 1.00 0.00 N ATOM 75 CA PRO A 5 -10.238 -3.499 -4.112 1.00 0.00 C ATOM 76 C PRO A 5 -9.030 -3.824 -4.981 1.00 0.00 C ATOM 77 O PRO A 5 -8.757 -4.995 -5.261 1.00 0.00 O ATOM 78 CB PRO A 5 -9.863 -3.542 -2.622 1.00 0.00 C ATOM 79 CG PRO A 5 -10.899 -4.396 -1.962 1.00 0.00 C ATOM 80 CD PRO A 5 -11.434 -5.309 -3.031 1.00 0.00 C ATOM 0 HA PRO A 5 -10.587 -2.514 -4.421 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.866 -3.960 -2.482 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.852 -2.540 -2.193 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.466 -4.969 -1.142 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.695 -3.784 -1.538 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.883 -6.249 -3.070 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.481 -5.560 -2.859 1.00 0.00 H new ATOM 88 N LYS A 6 -8.304 -2.806 -5.400 1.00 0.00 N ATOM 89 CA LYS A 6 -7.196 -3.006 -6.314 1.00 0.00 C ATOM 90 C LYS A 6 -5.944 -2.362 -5.744 1.00 0.00 C ATOM 91 O LYS A 6 -6.026 -1.356 -5.037 1.00 0.00 O ATOM 92 CB LYS A 6 -7.536 -2.426 -7.690 1.00 0.00 C ATOM 93 CG LYS A 6 -6.534 -2.780 -8.774 1.00 0.00 C ATOM 94 CD LYS A 6 -6.969 -2.249 -10.126 1.00 0.00 C ATOM 95 CE LYS A 6 -6.026 -2.695 -11.228 1.00 0.00 C ATOM 96 NZ LYS A 6 -6.493 -2.240 -12.562 1.00 0.00 N ATOM 0 H LYS A 6 -8.460 -1.837 -5.124 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.012 -4.074 -6.435 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.521 -2.783 -7.990 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.601 -1.341 -7.610 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.558 -2.369 -8.517 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.420 -3.863 -8.826 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.978 -2.596 -10.347 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.006 -1.160 -10.096 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.028 -2.300 -11.036 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.945 -3.782 -11.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.826 -2.562 -13.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.435 -2.637 -12.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.546 -1.201 -12.576 1.00 0.00 H new ATOM 110 N ILE A 7 -4.793 -2.944 -6.043 1.00 0.00 N ATOM 111 CA ILE A 7 -3.557 -2.548 -5.393 1.00 0.00 C ATOM 112 C ILE A 7 -2.781 -1.551 -6.230 1.00 0.00 C ATOM 113 O ILE A 7 -2.380 -1.848 -7.359 1.00 0.00 O ATOM 114 CB ILE A 7 -2.639 -3.756 -5.134 1.00 0.00 C ATOM 115 CG1 ILE A 7 -3.460 -4.999 -4.790 1.00 0.00 C ATOM 116 CG2 ILE A 7 -1.655 -3.438 -4.018 1.00 0.00 C ATOM 117 CD1 ILE A 7 -4.391 -4.807 -3.622 1.00 0.00 C ATOM 0 H ILE A 7 -4.691 -3.691 -6.730 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.849 -2.093 -4.447 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.078 -3.964 -6.045 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.043 -5.291 -5.663 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.781 -5.823 -4.570 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.011 -4.300 -3.844 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.045 -2.581 -4.304 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.203 -3.204 -3.105 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.939 -5.731 -3.438 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.813 -4.545 -2.736 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.095 -4.006 -3.846 1.00 0.00 H new ATOM 129 N GLN A 8 -2.571 -0.374 -5.679 1.00 0.00 N ATOM 130 CA GLN A 8 -1.666 0.582 -6.275 1.00 0.00 C ATOM 131 C GLN A 8 -0.623 1.012 -5.246 1.00 0.00 C ATOM 132 O GLN A 8 -0.954 1.586 -4.209 1.00 0.00 O ATOM 133 CB GLN A 8 -2.436 1.781 -6.833 1.00 0.00 C ATOM 134 CG GLN A 8 -3.103 1.498 -8.166 1.00 0.00 C ATOM 135 CD GLN A 8 -3.856 2.696 -8.709 1.00 0.00 C ATOM 136 OE1 GLN A 8 -4.386 3.512 -7.951 1.00 0.00 O ATOM 137 NE2 GLN A 8 -3.901 2.817 -10.025 1.00 0.00 N ATOM 0 H GLN A 8 -3.016 -0.057 -4.818 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.148 0.114 -7.112 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.195 2.084 -6.112 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.752 2.622 -6.948 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.346 1.192 -8.888 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.793 0.662 -8.052 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -3.449 2.120 -10.617 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -4.387 3.608 -10.448 1.00 0.00 H new ATOM 146 N VAL A 9 0.634 0.715 -5.540 1.00 0.00 N ATOM 147 CA VAL A 9 1.729 1.012 -4.628 1.00 0.00 C ATOM 148 C VAL A 9 2.894 1.657 -5.372 1.00 0.00 C ATOM 149 O VAL A 9 3.322 1.185 -6.428 1.00 0.00 O ATOM 150 CB VAL A 9 2.192 -0.255 -3.839 1.00 0.00 C ATOM 151 CG1 VAL A 9 2.217 -1.490 -4.721 1.00 0.00 C ATOM 152 CG2 VAL A 9 3.560 -0.042 -3.200 1.00 0.00 C ATOM 0 H VAL A 9 0.922 0.266 -6.409 1.00 0.00 H new ATOM 0 HA VAL A 9 1.358 1.726 -3.893 1.00 0.00 H new ATOM 0 HB VAL A 9 1.460 -0.417 -3.048 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.544 -2.349 -4.135 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.217 -1.678 -5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.908 -1.332 -5.549 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.853 -0.942 -2.659 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.295 0.170 -3.976 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.511 0.798 -2.507 1.00 0.00 H new ATOM 162 N TYR A 10 3.376 2.755 -4.810 1.00 0.00 N ATOM 163 CA TYR A 10 4.453 3.540 -5.394 1.00 0.00 C ATOM 164 C TYR A 10 5.050 4.433 -4.306 1.00 0.00 C ATOM 165 O TYR A 10 4.517 4.496 -3.201 1.00 0.00 O ATOM 166 CB TYR A 10 3.942 4.369 -6.592 1.00 0.00 C ATOM 167 CG TYR A 10 2.835 5.356 -6.271 1.00 0.00 C ATOM 168 CD1 TYR A 10 3.125 6.650 -5.849 1.00 0.00 C ATOM 169 CD2 TYR A 10 1.500 5.000 -6.411 1.00 0.00 C ATOM 170 CE1 TYR A 10 2.118 7.554 -5.573 1.00 0.00 C ATOM 171 CE2 TYR A 10 0.486 5.897 -6.135 1.00 0.00 C ATOM 172 CZ TYR A 10 0.801 7.174 -5.718 1.00 0.00 C ATOM 173 OH TYR A 10 -0.206 8.071 -5.445 1.00 0.00 O ATOM 0 H TYR A 10 3.027 3.130 -3.928 1.00 0.00 H new ATOM 0 HA TYR A 10 5.229 2.877 -5.778 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.782 4.917 -7.019 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.584 3.684 -7.361 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.155 6.953 -5.735 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.250 4.003 -6.742 1.00 0.00 H new ATOM 0 HE1 TYR A 10 2.361 8.554 -5.245 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.547 5.600 -6.245 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.570 7.892 -4.553 1.00 0.00 H new ATOM 183 N SER A 11 6.151 5.103 -4.603 1.00 0.00 N ATOM 184 CA SER A 11 6.819 5.922 -3.604 1.00 0.00 C ATOM 185 C SER A 11 6.257 7.340 -3.617 1.00 0.00 C ATOM 186 O SER A 11 5.898 7.870 -4.671 1.00 0.00 O ATOM 187 CB SER A 11 8.325 5.946 -3.855 1.00 0.00 C ATOM 188 OG SER A 11 9.004 6.567 -2.782 1.00 0.00 O ATOM 0 H SER A 11 6.599 5.097 -5.520 1.00 0.00 H new ATOM 0 HA SER A 11 6.638 5.485 -2.622 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.693 4.928 -3.983 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.535 6.480 -4.782 1.00 0.00 H new ATOM 0 HG SER A 11 9.795 6.039 -2.546 1.00 0.00 H new ATOM 194 N ARG A 12 6.168 7.935 -2.427 1.00 0.00 N ATOM 195 CA ARG A 12 5.608 9.281 -2.265 1.00 0.00 C ATOM 196 C ARG A 12 6.493 10.311 -2.971 1.00 0.00 C ATOM 197 O ARG A 12 5.996 11.219 -3.635 1.00 0.00 O ATOM 198 CB ARG A 12 5.481 9.600 -0.755 1.00 0.00 C ATOM 199 CG ARG A 12 4.654 10.834 -0.369 1.00 0.00 C ATOM 200 CD ARG A 12 5.413 12.127 -0.613 1.00 0.00 C ATOM 201 NE ARG A 12 6.713 12.143 0.062 1.00 0.00 N ATOM 202 CZ ARG A 12 6.945 12.727 1.240 1.00 0.00 C ATOM 203 NH1 ARG A 12 5.944 13.245 1.943 1.00 0.00 N ATOM 204 NH2 ARG A 12 8.179 12.767 1.728 1.00 0.00 N ATOM 0 H ARG A 12 6.478 7.505 -1.556 1.00 0.00 H new ATOM 0 HA ARG A 12 4.618 9.325 -2.720 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.044 8.732 -0.261 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.485 9.725 -0.350 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.728 10.844 -0.943 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.376 10.770 0.683 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.560 12.263 -1.684 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.814 12.969 -0.264 1.00 0.00 H new ATOM 0 HE ARG A 12 7.494 11.676 -0.399 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.991 13.198 1.584 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.129 13.690 2.842 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.949 12.352 1.203 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.357 13.213 2.628 1.00 0.00 H new ATOM 218 N HIS A 13 7.801 10.179 -2.798 1.00 0.00 N ATOM 219 CA HIS A 13 8.763 11.023 -3.500 1.00 0.00 C ATOM 220 C HIS A 13 9.782 10.143 -4.245 1.00 0.00 C ATOM 221 O HIS A 13 9.684 8.923 -4.153 1.00 0.00 O ATOM 222 CB HIS A 13 9.469 11.959 -2.509 1.00 0.00 C ATOM 223 CG HIS A 13 8.763 13.267 -2.295 1.00 0.00 C ATOM 224 ND1 HIS A 13 9.117 14.107 -1.267 1.00 0.00 N ATOM 225 CD2 HIS A 13 7.747 13.833 -2.997 1.00 0.00 C ATOM 226 CE1 HIS A 13 8.319 15.158 -1.364 1.00 0.00 C ATOM 227 NE2 HIS A 13 7.476 15.035 -2.396 1.00 0.00 N ATOM 0 H HIS A 13 8.224 9.492 -2.174 1.00 0.00 H new ATOM 0 HA HIS A 13 8.237 11.637 -4.230 1.00 0.00 H new ATOM 0 HB2 HIS A 13 9.567 11.449 -1.550 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.479 12.157 -2.869 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.250 13.417 -3.861 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.345 16.006 -0.696 1.00 0.00 H new ATOM 0 HE2 HIS A 13 6.766 15.709 -2.682 1.00 0.00 H new ATOM 235 N PRO A 14 10.763 10.716 -4.998 1.00 0.00 N ATOM 236 CA PRO A 14 11.763 9.911 -5.718 1.00 0.00 C ATOM 237 C PRO A 14 12.420 8.852 -4.827 1.00 0.00 C ATOM 238 O PRO A 14 12.839 9.136 -3.700 1.00 0.00 O ATOM 239 CB PRO A 14 12.813 10.931 -6.194 1.00 0.00 C ATOM 240 CG PRO A 14 12.446 12.243 -5.547 1.00 0.00 C ATOM 241 CD PRO A 14 10.973 12.158 -5.235 1.00 0.00 C ATOM 0 HA PRO A 14 11.301 9.356 -6.534 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.817 10.621 -5.904 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.808 11.017 -7.281 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.028 12.406 -4.640 1.00 0.00 H new ATOM 0 HG3 PRO A 14 12.655 13.079 -6.215 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.712 12.753 -4.360 1.00 0.00 H new ATOM 0 HD3 PRO A 14 10.364 12.523 -6.062 1.00 0.00 H new ATOM 249 N ALA A 15 12.503 7.636 -5.345 1.00 0.00 N ATOM 250 CA ALA A 15 13.049 6.514 -4.606 1.00 0.00 C ATOM 251 C ALA A 15 14.561 6.467 -4.752 1.00 0.00 C ATOM 252 O ALA A 15 15.085 6.486 -5.868 1.00 0.00 O ATOM 253 CB ALA A 15 12.434 5.215 -5.104 1.00 0.00 C ATOM 0 H ALA A 15 12.194 7.402 -6.288 1.00 0.00 H new ATOM 0 HA ALA A 15 12.807 6.640 -3.551 1.00 0.00 H new ATOM 0 HB1 ALA A 15 12.850 4.377 -4.544 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.354 5.246 -4.962 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.657 5.089 -6.163 1.00 0.00 H new ATOM 259 N GLU A 16 15.264 6.425 -3.634 1.00 0.00 N ATOM 260 CA GLU A 16 16.713 6.366 -3.665 1.00 0.00 C ATOM 261 C GLU A 16 17.229 5.188 -2.861 1.00 0.00 C ATOM 262 O GLU A 16 16.845 4.980 -1.713 1.00 0.00 O ATOM 263 CB GLU A 16 17.305 7.670 -3.126 1.00 0.00 C ATOM 264 CG GLU A 16 18.422 8.259 -3.980 1.00 0.00 C ATOM 265 CD GLU A 16 19.756 7.574 -3.796 1.00 0.00 C ATOM 266 OE1 GLU A 16 19.977 6.514 -4.412 1.00 0.00 O ATOM 267 OE2 GLU A 16 20.605 8.117 -3.061 1.00 0.00 O ATOM 0 H GLU A 16 14.857 6.431 -2.699 1.00 0.00 H new ATOM 0 HA GLU A 16 17.025 6.233 -4.701 1.00 0.00 H new ATOM 0 HB2 GLU A 16 16.507 8.407 -3.036 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.689 7.492 -2.121 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.135 8.198 -5.030 1.00 0.00 H new ATOM 0 HG3 GLU A 16 18.531 9.317 -3.740 1.00 0.00 H new ATOM 274 N ASN A 17 18.095 4.425 -3.489 1.00 0.00 N ATOM 275 CA ASN A 17 18.698 3.255 -2.857 1.00 0.00 C ATOM 276 C ASN A 17 19.857 3.673 -1.967 1.00 0.00 C ATOM 277 O ASN A 17 20.825 4.285 -2.421 1.00 0.00 O ATOM 278 CB ASN A 17 19.126 2.225 -3.919 1.00 0.00 C ATOM 279 CG ASN A 17 20.269 1.309 -3.493 1.00 0.00 C ATOM 280 OD1 ASN A 17 20.408 0.950 -2.325 1.00 0.00 O ATOM 281 ND2 ASN A 17 21.091 0.909 -4.453 1.00 0.00 N ATOM 0 H ASN A 17 18.405 4.590 -4.447 1.00 0.00 H new ATOM 0 HA ASN A 17 17.955 2.773 -2.222 1.00 0.00 H new ATOM 0 HB2 ASN A 17 18.264 1.611 -4.179 1.00 0.00 H new ATOM 0 HB3 ASN A 17 19.422 2.757 -4.823 1.00 0.00 H new ATOM 0 HD21 ASN A 17 21.867 0.285 -4.233 1.00 0.00 H new ATOM 0 HD22 ASN A 17 20.948 1.226 -5.412 1.00 0.00 H new ATOM 288 N GLY A 18 19.743 3.330 -0.695 1.00 0.00 N ATOM 289 CA GLY A 18 20.700 3.776 0.290 1.00 0.00 C ATOM 290 C GLY A 18 20.301 5.125 0.829 1.00 0.00 C ATOM 291 O GLY A 18 21.114 5.852 1.402 1.00 0.00 O ATOM 0 H GLY A 18 18.995 2.744 -0.325 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.758 3.054 1.104 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.693 3.834 -0.157 1.00 0.00 H new ATOM 295 N LYS A 19 19.027 5.439 0.667 1.00 0.00 N ATOM 296 CA LYS A 19 18.526 6.758 0.970 1.00 0.00 C ATOM 297 C LYS A 19 17.109 6.682 1.484 1.00 0.00 C ATOM 298 O LYS A 19 16.285 5.914 0.988 1.00 0.00 O ATOM 299 CB LYS A 19 18.656 7.631 -0.268 1.00 0.00 C ATOM 300 CG LYS A 19 18.583 9.126 0.028 1.00 0.00 C ATOM 301 CD LYS A 19 17.167 9.630 0.213 1.00 0.00 C ATOM 302 CE LYS A 19 17.037 10.596 1.400 1.00 0.00 C ATOM 303 NZ LYS A 19 17.988 11.737 1.316 1.00 0.00 N ATOM 0 H LYS A 19 18.320 4.789 0.324 1.00 0.00 H new ATOM 0 HA LYS A 19 19.116 7.212 1.766 1.00 0.00 H new ATOM 0 HB2 LYS A 19 19.604 7.412 -0.759 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.865 7.369 -0.971 1.00 0.00 H new ATOM 0 HG2 LYS A 19 19.158 9.340 0.929 1.00 0.00 H new ATOM 0 HG3 LYS A 19 19.053 9.675 -0.788 1.00 0.00 H new ATOM 0 HD2 LYS A 19 16.842 10.133 -0.698 1.00 0.00 H new ATOM 0 HD3 LYS A 19 16.500 8.782 0.364 1.00 0.00 H new ATOM 0 HE2 LYS A 19 16.018 10.980 1.441 1.00 0.00 H new ATOM 0 HE3 LYS A 19 17.210 10.051 2.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 17.708 12.473 1.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 18.948 11.406 1.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 17.974 12.131 0.353 1.00 0.00 H new ATOM 317 N SER A 20 16.855 7.469 2.518 1.00 0.00 N ATOM 318 CA SER A 20 15.578 7.455 3.200 1.00 0.00 C ATOM 319 C SER A 20 14.446 7.872 2.269 1.00 0.00 C ATOM 320 O SER A 20 14.545 8.869 1.557 1.00 0.00 O ATOM 321 CB SER A 20 15.644 8.388 4.393 1.00 0.00 C ATOM 322 OG SER A 20 16.682 8.011 5.283 1.00 0.00 O ATOM 0 H SER A 20 17.528 8.132 2.904 1.00 0.00 H new ATOM 0 HA SER A 20 15.371 6.438 3.534 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.809 9.410 4.050 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.689 8.378 4.919 1.00 0.00 H new ATOM 0 HG SER A 20 16.703 8.630 6.042 1.00 0.00 H new ATOM 328 N ASN A 21 13.368 7.119 2.294 1.00 0.00 N ATOM 329 CA ASN A 21 12.279 7.315 1.354 1.00 0.00 C ATOM 330 C ASN A 21 10.947 7.130 2.076 1.00 0.00 C ATOM 331 O ASN A 21 10.915 6.653 3.211 1.00 0.00 O ATOM 332 CB ASN A 21 12.424 6.296 0.208 1.00 0.00 C ATOM 333 CG ASN A 21 11.724 6.710 -1.074 1.00 0.00 C ATOM 334 OD1 ASN A 21 11.328 5.856 -1.864 1.00 0.00 O ATOM 335 ND2 ASN A 21 11.566 8.010 -1.303 1.00 0.00 N ATOM 0 H ASN A 21 13.219 6.360 2.959 1.00 0.00 H new ATOM 0 HA ASN A 21 12.310 8.323 0.940 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.483 6.146 0.000 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.024 5.336 0.535 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.104 8.325 -2.156 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.907 8.692 -0.626 1.00 0.00 H new ATOM 342 N PHE A 22 9.851 7.503 1.427 1.00 0.00 N ATOM 343 CA PHE A 22 8.529 7.375 2.025 1.00 0.00 C ATOM 344 C PHE A 22 7.630 6.557 1.103 1.00 0.00 C ATOM 345 O PHE A 22 7.458 6.902 -0.068 1.00 0.00 O ATOM 346 CB PHE A 22 7.910 8.756 2.268 1.00 0.00 C ATOM 347 CG PHE A 22 8.502 9.532 3.414 1.00 0.00 C ATOM 348 CD1 PHE A 22 9.804 10.001 3.362 1.00 0.00 C ATOM 349 CD2 PHE A 22 7.737 9.816 4.535 1.00 0.00 C ATOM 350 CE1 PHE A 22 10.335 10.733 4.404 1.00 0.00 C ATOM 351 CE2 PHE A 22 8.263 10.547 5.583 1.00 0.00 C ATOM 352 CZ PHE A 22 9.563 11.006 5.517 1.00 0.00 C ATOM 0 H PHE A 22 9.852 7.897 0.486 1.00 0.00 H new ATOM 0 HA PHE A 22 8.625 6.868 2.985 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.013 9.348 1.358 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.842 8.631 2.448 1.00 0.00 H new ATOM 0 HD1 PHE A 22 10.412 9.791 2.494 1.00 0.00 H new ATOM 0 HD2 PHE A 22 6.718 9.462 4.590 1.00 0.00 H new ATOM 0 HE1 PHE A 22 11.352 11.092 4.350 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.658 10.759 6.452 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.976 11.578 6.335 1.00 0.00 H new ATOM 362 N LEU A 23 7.067 5.476 1.626 1.00 0.00 N ATOM 363 CA LEU A 23 6.228 4.584 0.826 1.00 0.00 C ATOM 364 C LEU A 23 4.804 5.076 0.827 1.00 0.00 C ATOM 365 O LEU A 23 4.367 5.710 1.777 1.00 0.00 O ATOM 366 CB LEU A 23 6.241 3.172 1.402 1.00 0.00 C ATOM 367 CG LEU A 23 6.589 2.025 0.433 1.00 0.00 C ATOM 368 CD1 LEU A 23 6.521 0.693 1.166 1.00 0.00 C ATOM 369 CD2 LEU A 23 5.663 1.991 -0.778 1.00 0.00 C ATOM 0 H LEU A 23 7.174 5.193 2.600 1.00 0.00 H new ATOM 0 HA LEU A 23 6.626 4.572 -0.189 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.955 3.148 2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.258 2.970 1.827 1.00 0.00 H new ATOM 0 HG LEU A 23 7.601 2.202 0.069 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.768 -0.115 0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.232 0.695 1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.514 0.543 1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.948 1.166 -1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.634 1.852 -0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.744 2.931 -1.324 1.00 0.00 H new ATOM 381 N ASN A 24 4.085 4.751 -0.225 1.00 0.00 N ATOM 382 CA ASN A 24 2.663 5.045 -0.305 1.00 0.00 C ATOM 383 C ASN A 24 1.918 3.842 -0.873 1.00 0.00 C ATOM 384 O ASN A 24 2.219 3.371 -1.972 1.00 0.00 O ATOM 385 CB ASN A 24 2.379 6.291 -1.168 1.00 0.00 C ATOM 386 CG ASN A 24 2.449 7.605 -0.401 1.00 0.00 C ATOM 387 OD1 ASN A 24 3.235 7.767 0.525 1.00 0.00 O ATOM 388 ND2 ASN A 24 1.602 8.553 -0.773 1.00 0.00 N ATOM 0 H ASN A 24 4.462 4.278 -1.046 1.00 0.00 H new ATOM 0 HA ASN A 24 2.312 5.256 0.705 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.095 6.323 -1.989 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.389 6.194 -1.613 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.592 9.448 -0.284 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.960 8.388 -1.548 1.00 0.00 H new ATOM 395 N CYS A 25 0.950 3.341 -0.123 1.00 0.00 N ATOM 396 CA CYS A 25 0.159 2.204 -0.559 1.00 0.00 C ATOM 397 C CYS A 25 -1.304 2.622 -0.598 1.00 0.00 C ATOM 398 O CYS A 25 -1.866 3.045 0.417 1.00 0.00 O ATOM 399 CB CYS A 25 0.371 1.018 0.380 1.00 0.00 C ATOM 400 SG CYS A 25 -0.091 -0.591 -0.338 1.00 0.00 S ATOM 0 H CYS A 25 0.693 3.706 0.794 1.00 0.00 H new ATOM 0 HA CYS A 25 0.470 1.889 -1.555 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.420 0.985 0.675 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.210 1.179 1.288 1.00 0.00 H new ATOM 405 N TYR A 26 -1.907 2.522 -1.772 1.00 0.00 N ATOM 406 CA TYR A 26 -3.245 3.031 -1.992 1.00 0.00 C ATOM 407 C TYR A 26 -4.175 1.901 -2.390 1.00 0.00 C ATOM 408 O TYR A 26 -4.047 1.331 -3.477 1.00 0.00 O ATOM 409 CB TYR A 26 -3.256 4.089 -3.099 1.00 0.00 C ATOM 410 CG TYR A 26 -2.679 5.444 -2.729 1.00 0.00 C ATOM 411 CD1 TYR A 26 -3.510 6.482 -2.317 1.00 0.00 C ATOM 412 CD2 TYR A 26 -1.318 5.706 -2.848 1.00 0.00 C ATOM 413 CE1 TYR A 26 -2.999 7.736 -2.039 1.00 0.00 C ATOM 414 CE2 TYR A 26 -0.803 6.953 -2.561 1.00 0.00 C ATOM 415 CZ TYR A 26 -1.646 7.964 -2.162 1.00 0.00 C ATOM 416 OH TYR A 26 -1.135 9.213 -1.892 1.00 0.00 O ATOM 0 H TYR A 26 -1.483 2.088 -2.592 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.584 3.484 -1.061 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.700 3.700 -3.952 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.285 4.232 -3.428 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.570 6.305 -2.213 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.653 4.919 -3.171 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -3.657 8.533 -1.727 1.00 0.00 H new ATOM 0 HE2 TYR A 26 0.258 7.135 -2.649 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.689 9.654 -1.214 1.00 0.00 H new ATOM 426 N VAL A 27 -5.091 1.565 -1.507 1.00 0.00 N ATOM 427 CA VAL A 27 -6.105 0.578 -1.816 1.00 0.00 C ATOM 428 C VAL A 27 -7.470 1.237 -1.722 1.00 0.00 C ATOM 429 O VAL A 27 -7.915 1.599 -0.636 1.00 0.00 O ATOM 430 CB VAL A 27 -6.052 -0.633 -0.864 1.00 0.00 C ATOM 431 CG1 VAL A 27 -6.724 -1.837 -1.503 1.00 0.00 C ATOM 432 CG2 VAL A 27 -4.621 -0.966 -0.473 1.00 0.00 C ATOM 0 H VAL A 27 -5.155 1.961 -0.569 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.920 0.206 -2.824 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.593 -0.370 0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.679 -2.684 -0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.766 -1.600 -1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.210 -2.091 -2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.618 -1.824 0.199 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.045 -1.203 -1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.173 -0.110 0.031 1.00 0.00 H new ATOM 442 N SER A 28 -8.108 1.446 -2.861 1.00 0.00 N ATOM 443 CA SER A 28 -9.382 2.150 -2.896 1.00 0.00 C ATOM 444 C SER A 28 -10.299 1.589 -3.978 1.00 0.00 C ATOM 445 O SER A 28 -9.901 0.714 -4.749 1.00 0.00 O ATOM 446 CB SER A 28 -9.136 3.643 -3.121 1.00 0.00 C ATOM 447 OG SER A 28 -8.254 4.157 -2.136 1.00 0.00 O ATOM 0 H SER A 28 -7.767 1.140 -3.772 1.00 0.00 H new ATOM 0 HA SER A 28 -9.882 2.007 -1.938 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.714 3.802 -4.113 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.083 4.182 -3.087 1.00 0.00 H new ATOM 0 HG SER A 28 -7.738 4.900 -2.514 1.00 0.00 H new ATOM 453 N GLY A 29 -11.531 2.094 -4.022 1.00 0.00 N ATOM 454 CA GLY A 29 -12.501 1.613 -4.983 1.00 0.00 C ATOM 455 C GLY A 29 -13.327 0.484 -4.415 1.00 0.00 C ATOM 456 O GLY A 29 -13.880 -0.323 -5.151 1.00 0.00 O ATOM 0 H GLY A 29 -11.872 2.831 -3.405 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.157 2.431 -5.281 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.987 1.273 -5.882 1.00 0.00 H new ATOM 460 N PHE A 30 -13.395 0.424 -3.095 1.00 0.00 N ATOM 461 CA PHE A 30 -14.048 -0.684 -2.412 1.00 0.00 C ATOM 462 C PHE A 30 -15.134 -0.204 -1.455 1.00 0.00 C ATOM 463 O PHE A 30 -15.418 0.992 -1.358 1.00 0.00 O ATOM 464 CB PHE A 30 -13.007 -1.489 -1.631 1.00 0.00 C ATOM 465 CG PHE A 30 -12.357 -0.685 -0.537 1.00 0.00 C ATOM 466 CD1 PHE A 30 -11.225 0.066 -0.794 1.00 0.00 C ATOM 467 CD2 PHE A 30 -12.888 -0.670 0.741 1.00 0.00 C ATOM 468 CE1 PHE A 30 -10.636 0.814 0.202 1.00 0.00 C ATOM 469 CE2 PHE A 30 -12.300 0.076 1.741 1.00 0.00 C ATOM 470 CZ PHE A 30 -11.172 0.818 1.469 1.00 0.00 C ATOM 0 H PHE A 30 -13.005 1.131 -2.472 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.521 -1.308 -3.171 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.483 -2.368 -1.197 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.240 -1.848 -2.318 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -10.798 0.066 -1.786 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -13.773 -1.249 0.958 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.753 1.398 -0.012 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -12.723 0.078 2.735 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.709 1.403 2.250 1.00 0.00 H new ATOM 480 N HIS A 31 -15.721 -1.167 -0.754 1.00 0.00 N ATOM 481 CA HIS A 31 -16.729 -0.917 0.276 1.00 0.00 C ATOM 482 C HIS A 31 -16.800 -2.190 1.130 1.00 0.00 C ATOM 483 O HIS A 31 -16.522 -3.262 0.605 1.00 0.00 O ATOM 484 CB HIS A 31 -18.107 -0.545 -0.352 1.00 0.00 C ATOM 485 CG HIS A 31 -19.232 -0.421 0.631 1.00 0.00 C ATOM 486 ND1 HIS A 31 -19.496 0.761 1.283 1.00 0.00 N ATOM 487 CD2 HIS A 31 -20.133 -1.351 1.024 1.00 0.00 C ATOM 488 CE1 HIS A 31 -20.547 0.523 2.049 1.00 0.00 C ATOM 489 NE2 HIS A 31 -20.968 -0.743 1.924 1.00 0.00 N ATOM 0 H HIS A 31 -15.510 -2.156 -0.885 1.00 0.00 H new ATOM 0 HA HIS A 31 -16.458 -0.061 0.894 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.004 0.399 -0.886 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -18.370 -1.302 -1.091 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -20.184 -2.377 0.691 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -21.008 1.256 2.694 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -21.758 -1.172 2.406 1.00 0.00 H new ATOM 497 N PRO A 32 -17.119 -2.141 2.446 1.00 0.00 N ATOM 498 CA PRO A 32 -17.470 -0.923 3.200 1.00 0.00 C ATOM 499 C PRO A 32 -16.306 0.046 3.375 1.00 0.00 C ATOM 500 O PRO A 32 -15.231 -0.138 2.809 1.00 0.00 O ATOM 501 CB PRO A 32 -17.888 -1.466 4.568 1.00 0.00 C ATOM 502 CG PRO A 32 -17.173 -2.758 4.694 1.00 0.00 C ATOM 503 CD PRO A 32 -17.151 -3.333 3.311 1.00 0.00 C ATOM 0 HA PRO A 32 -18.236 -0.350 2.677 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -17.610 -0.780 5.368 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -18.968 -1.603 4.627 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -16.162 -2.613 5.076 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -17.684 -3.424 5.389 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -16.279 -3.967 3.153 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -18.031 -3.947 3.117 1.00 0.00 H new ATOM 511 N SER A 33 -16.558 1.082 4.164 1.00 0.00 N ATOM 512 CA SER A 33 -15.578 2.141 4.437 1.00 0.00 C ATOM 513 C SER A 33 -14.377 1.669 5.275 1.00 0.00 C ATOM 514 O SER A 33 -13.930 2.388 6.170 1.00 0.00 O ATOM 515 CB SER A 33 -16.280 3.303 5.150 1.00 0.00 C ATOM 516 OG SER A 33 -16.962 2.846 6.310 1.00 0.00 O ATOM 0 H SER A 33 -17.451 1.218 4.638 1.00 0.00 H new ATOM 0 HA SER A 33 -15.175 2.457 3.475 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.547 4.060 5.428 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.987 3.778 4.470 1.00 0.00 H new ATOM 0 HG SER A 33 -17.401 3.603 6.751 1.00 0.00 H new ATOM 522 N ASP A 34 -13.846 0.482 4.983 1.00 0.00 N ATOM 523 CA ASP A 34 -12.638 0.003 5.651 1.00 0.00 C ATOM 524 C ASP A 34 -12.048 -1.205 4.920 1.00 0.00 C ATOM 525 O ASP A 34 -12.771 -2.087 4.449 1.00 0.00 O ATOM 526 CB ASP A 34 -12.907 -0.357 7.129 1.00 0.00 C ATOM 527 CG ASP A 34 -13.444 -1.762 7.326 1.00 0.00 C ATOM 528 OD1 ASP A 34 -14.663 -1.967 7.150 1.00 0.00 O ATOM 529 OD2 ASP A 34 -12.651 -2.664 7.684 1.00 0.00 O ATOM 0 H ASP A 34 -14.231 -0.162 4.292 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.915 0.819 5.625 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.981 -0.249 7.694 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.619 0.356 7.544 1.00 0.00 H new ATOM 534 N ILE A 35 -10.729 -1.208 4.800 1.00 0.00 N ATOM 535 CA ILE A 35 -9.979 -2.362 4.317 1.00 0.00 C ATOM 536 C ILE A 35 -8.700 -2.447 5.123 1.00 0.00 C ATOM 537 O ILE A 35 -8.225 -1.429 5.635 1.00 0.00 O ATOM 538 CB ILE A 35 -9.605 -2.264 2.813 1.00 0.00 C ATOM 539 CG1 ILE A 35 -9.184 -3.642 2.279 1.00 0.00 C ATOM 540 CG2 ILE A 35 -8.468 -1.274 2.609 1.00 0.00 C ATOM 541 CD1 ILE A 35 -8.325 -3.592 1.024 1.00 0.00 C ATOM 0 H ILE A 35 -10.144 -0.406 5.036 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.610 -3.243 4.433 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.482 -1.917 2.266 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.636 -4.169 3.060 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.080 -4.226 2.069 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.220 -1.219 1.549 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.775 -0.289 2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.593 -1.604 3.170 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.073 -4.606 0.715 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.876 -3.096 0.225 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.410 -3.038 1.231 1.00 0.00 H new ATOM 553 N GLU A 36 -8.139 -3.631 5.266 1.00 0.00 N ATOM 554 CA GLU A 36 -6.883 -3.777 5.963 1.00 0.00 C ATOM 555 C GLU A 36 -5.789 -4.105 4.964 1.00 0.00 C ATOM 556 O GLU A 36 -5.863 -5.106 4.243 1.00 0.00 O ATOM 557 CB GLU A 36 -6.981 -4.897 6.995 1.00 0.00 C ATOM 558 CG GLU A 36 -5.831 -4.945 7.988 1.00 0.00 C ATOM 559 CD GLU A 36 -5.985 -6.065 8.993 1.00 0.00 C ATOM 560 OE1 GLU A 36 -6.296 -5.779 10.168 1.00 0.00 O ATOM 561 OE2 GLU A 36 -5.795 -7.239 8.619 1.00 0.00 O ATOM 0 H GLU A 36 -8.533 -4.501 4.909 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.649 -2.843 6.474 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.915 -4.785 7.546 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.032 -5.852 6.472 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.893 -5.071 7.448 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.769 -3.993 8.515 1.00 0.00 H new ATOM 568 N VAL A 37 -4.789 -3.260 4.918 1.00 0.00 N ATOM 569 CA VAL A 37 -3.664 -3.454 4.022 1.00 0.00 C ATOM 570 C VAL A 37 -2.361 -3.292 4.790 1.00 0.00 C ATOM 571 O VAL A 37 -2.232 -2.415 5.644 1.00 0.00 O ATOM 572 CB VAL A 37 -3.726 -2.520 2.773 1.00 0.00 C ATOM 573 CG1 VAL A 37 -4.798 -1.466 2.950 1.00 0.00 C ATOM 574 CG2 VAL A 37 -2.376 -1.869 2.450 1.00 0.00 C ATOM 0 H VAL A 37 -4.727 -2.421 5.495 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.715 -4.470 3.632 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.982 -3.150 1.921 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.826 -0.824 2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.766 -1.950 3.078 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.574 -0.864 3.831 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.480 -1.231 1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.050 -1.268 3.299 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.637 -2.645 2.249 1.00 0.00 H new ATOM 584 N ASP A 38 -1.422 -4.166 4.504 1.00 0.00 N ATOM 585 CA ASP A 38 -0.161 -4.205 5.221 1.00 0.00 C ATOM 586 C ASP A 38 0.998 -4.135 4.240 1.00 0.00 C ATOM 587 O ASP A 38 0.853 -4.472 3.069 1.00 0.00 O ATOM 588 CB ASP A 38 -0.091 -5.467 6.101 1.00 0.00 C ATOM 589 CG ASP A 38 1.061 -6.390 5.753 1.00 0.00 C ATOM 590 OD1 ASP A 38 0.867 -7.286 4.913 1.00 0.00 O ATOM 591 OD2 ASP A 38 2.148 -6.229 6.332 1.00 0.00 O ATOM 0 H ASP A 38 -1.508 -4.869 3.770 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.090 -3.339 5.880 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.002 -5.167 7.145 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.027 -6.017 6.007 1.00 0.00 H new ATOM 596 N LEU A 39 2.128 -3.653 4.714 1.00 0.00 N ATOM 597 CA LEU A 39 3.299 -3.500 3.871 1.00 0.00 C ATOM 598 C LEU A 39 4.333 -4.560 4.220 1.00 0.00 C ATOM 599 O LEU A 39 4.576 -4.839 5.388 1.00 0.00 O ATOM 600 CB LEU A 39 3.898 -2.103 4.028 1.00 0.00 C ATOM 601 CG LEU A 39 2.899 -0.943 3.964 1.00 0.00 C ATOM 602 CD1 LEU A 39 3.623 0.382 4.102 1.00 0.00 C ATOM 603 CD2 LEU A 39 2.100 -0.966 2.674 1.00 0.00 C ATOM 0 H LEU A 39 2.262 -3.359 5.682 1.00 0.00 H new ATOM 0 HA LEU A 39 2.998 -3.628 2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.420 -2.057 4.983 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.646 -1.958 3.248 1.00 0.00 H new ATOM 0 HG LEU A 39 2.202 -1.061 4.793 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.901 1.198 4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.144 0.414 5.059 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.344 0.489 3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.402 -0.129 2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.778 -0.884 1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.545 -1.902 2.606 1.00 0.00 H new ATOM 615 N LEU A 40 4.935 -5.140 3.198 1.00 0.00 N ATOM 616 CA LEU A 40 5.858 -6.252 3.372 1.00 0.00 C ATOM 617 C LEU A 40 7.286 -5.903 2.981 1.00 0.00 C ATOM 618 O LEU A 40 7.586 -4.801 2.527 1.00 0.00 O ATOM 619 CB LEU A 40 5.433 -7.465 2.554 1.00 0.00 C ATOM 620 CG LEU A 40 3.956 -7.828 2.625 1.00 0.00 C ATOM 621 CD1 LEU A 40 3.640 -8.909 1.605 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.604 -8.288 4.027 1.00 0.00 C ATOM 0 H LEU A 40 4.800 -4.857 2.227 1.00 0.00 H new ATOM 0 HA LEU A 40 5.828 -6.482 4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.694 -7.286 1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.015 -8.325 2.885 1.00 0.00 H new ATOM 0 HG LEU A 40 3.356 -6.949 2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.582 -9.164 1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.873 -8.544 0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.238 -9.795 1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.546 -8.546 4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.202 -9.163 4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.811 -7.486 4.736 1.00 0.00 H new ATOM 634 N LYS A 41 8.133 -6.903 3.161 1.00 0.00 N ATOM 635 CA LYS A 41 9.545 -6.850 2.801 1.00 0.00 C ATOM 636 C LYS A 41 10.010 -8.238 2.397 1.00 0.00 C ATOM 637 O LYS A 41 10.274 -9.078 3.263 1.00 0.00 O ATOM 638 CB LYS A 41 10.406 -6.342 3.947 1.00 0.00 C ATOM 639 CG LYS A 41 10.331 -4.842 4.157 1.00 0.00 C ATOM 640 CD LYS A 41 10.897 -4.456 5.518 1.00 0.00 C ATOM 641 CE LYS A 41 10.838 -2.958 5.755 1.00 0.00 C ATOM 642 NZ LYS A 41 11.350 -2.581 7.097 1.00 0.00 N ATOM 0 H LYS A 41 7.854 -7.795 3.570 1.00 0.00 H new ATOM 0 HA LYS A 41 9.654 -6.153 1.970 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.102 -6.843 4.866 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.443 -6.621 3.760 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.886 -4.332 3.370 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.295 -4.511 4.082 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.339 -4.969 6.301 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.931 -4.794 5.590 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.422 -2.448 4.989 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.808 -2.616 5.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.290 -1.549 7.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.778 -3.046 7.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.341 -2.883 7.188 1.00 0.00 H new ATOM 656 N ASN A 42 10.076 -8.484 1.087 1.00 0.00 N ATOM 657 CA ASN A 42 10.425 -9.801 0.529 1.00 0.00 C ATOM 658 C ASN A 42 9.361 -10.858 0.843 1.00 0.00 C ATOM 659 O ASN A 42 9.312 -11.909 0.199 1.00 0.00 O ATOM 660 CB ASN A 42 11.798 -10.274 1.029 1.00 0.00 C ATOM 661 CG ASN A 42 12.957 -9.585 0.338 1.00 0.00 C ATOM 662 OD1 ASN A 42 12.870 -9.212 -0.829 1.00 0.00 O ATOM 663 ND2 ASN A 42 14.054 -9.418 1.058 1.00 0.00 N ATOM 0 H ASN A 42 9.889 -7.776 0.377 1.00 0.00 H new ATOM 0 HA ASN A 42 10.470 -9.678 -0.553 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.867 -10.097 2.102 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.881 -11.350 0.877 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.870 -8.964 0.647 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.084 -9.743 2.024 1.00 0.00 H new ATOM 670 N GLY A 43 8.519 -10.579 1.830 1.00 0.00 N ATOM 671 CA GLY A 43 7.464 -11.498 2.203 1.00 0.00 C ATOM 672 C GLY A 43 7.011 -11.329 3.637 1.00 0.00 C ATOM 673 O GLY A 43 6.057 -11.975 4.069 1.00 0.00 O ATOM 0 H GLY A 43 8.550 -9.723 2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.612 -11.353 1.539 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.812 -12.521 2.056 1.00 0.00 H new ATOM 677 N GLU A 44 7.676 -10.450 4.370 1.00 0.00 N ATOM 678 CA GLU A 44 7.428 -10.300 5.793 1.00 0.00 C ATOM 679 C GLU A 44 6.681 -9.015 6.096 1.00 0.00 C ATOM 680 O GLU A 44 6.897 -8.001 5.443 1.00 0.00 O ATOM 681 CB GLU A 44 8.763 -10.280 6.494 1.00 0.00 C ATOM 682 CG GLU A 44 9.655 -11.419 6.080 1.00 0.00 C ATOM 683 CD GLU A 44 9.161 -12.773 6.540 1.00 0.00 C ATOM 684 OE1 GLU A 44 8.746 -13.574 5.686 1.00 0.00 O ATOM 685 OE2 GLU A 44 9.213 -13.052 7.757 1.00 0.00 O ATOM 0 H GLU A 44 8.394 -9.828 4.000 1.00 0.00 H new ATOM 0 HA GLU A 44 6.811 -11.129 6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.265 -9.336 6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.603 -10.322 7.571 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.744 -11.424 4.994 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.655 -11.251 6.481 1.00 0.00 H new ATOM 692 N ARG A 45 5.815 -9.076 7.096 1.00 0.00 N ATOM 693 CA ARG A 45 5.002 -7.942 7.500 1.00 0.00 C ATOM 694 C ARG A 45 5.832 -6.853 8.176 1.00 0.00 C ATOM 695 O ARG A 45 6.701 -7.137 8.999 1.00 0.00 O ATOM 696 CB ARG A 45 3.905 -8.436 8.451 1.00 0.00 C ATOM 697 CG ARG A 45 2.952 -7.346 8.941 1.00 0.00 C ATOM 698 CD ARG A 45 1.721 -7.927 9.636 1.00 0.00 C ATOM 699 NE ARG A 45 0.953 -6.908 10.351 1.00 0.00 N ATOM 700 CZ ARG A 45 -0.377 -6.894 10.411 1.00 0.00 C ATOM 701 NH1 ARG A 45 -1.078 -7.828 9.783 1.00 0.00 N ATOM 702 NH2 ARG A 45 -1.005 -5.952 11.103 1.00 0.00 N ATOM 0 H ARG A 45 5.657 -9.917 7.651 1.00 0.00 H new ATOM 0 HA ARG A 45 4.561 -7.499 6.607 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.325 -9.208 7.946 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.375 -8.905 9.315 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.480 -6.687 9.631 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.636 -6.735 8.096 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.082 -8.407 8.895 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.034 -8.701 10.337 1.00 0.00 H new ATOM 0 HE ARG A 45 1.465 -6.167 10.830 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.598 -8.557 9.254 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.097 -7.818 9.829 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.469 -5.235 11.592 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.024 -5.945 11.146 1.00 0.00 H new ATOM 716 N ILE A 46 5.553 -5.607 7.816 1.00 0.00 N ATOM 717 CA ILE A 46 6.172 -4.457 8.449 1.00 0.00 C ATOM 718 C ILE A 46 5.255 -3.925 9.536 1.00 0.00 C ATOM 719 O ILE A 46 4.041 -3.834 9.355 1.00 0.00 O ATOM 720 CB ILE A 46 6.449 -3.324 7.441 1.00 0.00 C ATOM 721 CG1 ILE A 46 7.330 -3.822 6.302 1.00 0.00 C ATOM 722 CG2 ILE A 46 7.113 -2.140 8.139 1.00 0.00 C ATOM 723 CD1 ILE A 46 7.437 -2.837 5.159 1.00 0.00 C ATOM 0 H ILE A 46 4.891 -5.369 7.077 1.00 0.00 H new ATOM 0 HA ILE A 46 7.124 -4.785 8.867 1.00 0.00 H new ATOM 0 HB ILE A 46 5.496 -2.997 7.025 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.328 -4.031 6.688 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.929 -4.763 5.926 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.302 -1.349 7.413 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.455 -1.764 8.923 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.057 -2.460 8.580 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.078 -3.251 4.381 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.445 -2.646 4.749 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.865 -1.903 5.523 1.00 0.00 H new ATOM 735 N GLU A 47 5.836 -3.572 10.662 1.00 0.00 N ATOM 736 CA GLU A 47 5.065 -3.122 11.805 1.00 0.00 C ATOM 737 C GLU A 47 4.993 -1.594 11.895 1.00 0.00 C ATOM 738 O GLU A 47 3.969 -1.049 12.305 1.00 0.00 O ATOM 739 CB GLU A 47 5.607 -3.722 13.117 1.00 0.00 C ATOM 740 CG GLU A 47 7.125 -3.792 13.246 1.00 0.00 C ATOM 741 CD GLU A 47 7.796 -4.787 12.321 1.00 0.00 C ATOM 742 OE1 GLU A 47 8.280 -4.365 11.247 1.00 0.00 O ATOM 743 OE2 GLU A 47 7.867 -5.981 12.675 1.00 0.00 O ATOM 0 H GLU A 47 6.845 -3.587 10.813 1.00 0.00 H new ATOM 0 HA GLU A 47 4.048 -3.484 11.657 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.219 -3.135 13.949 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.207 -4.730 13.224 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.538 -2.802 13.053 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.377 -4.047 14.275 1.00 0.00 H new ATOM 750 N LYS A 48 6.080 -0.905 11.536 1.00 0.00 N ATOM 751 CA LYS A 48 6.130 0.565 11.566 1.00 0.00 C ATOM 752 C LYS A 48 5.087 1.236 10.667 1.00 0.00 C ATOM 753 O LYS A 48 4.949 2.457 10.685 1.00 0.00 O ATOM 754 CB LYS A 48 7.519 1.039 11.143 1.00 0.00 C ATOM 755 CG LYS A 48 8.640 0.299 11.843 1.00 0.00 C ATOM 756 CD LYS A 48 9.726 1.237 12.318 1.00 0.00 C ATOM 757 CE LYS A 48 10.760 0.512 13.166 1.00 0.00 C ATOM 758 NZ LYS A 48 11.314 -0.684 12.473 1.00 0.00 N ATOM 0 H LYS A 48 6.945 -1.343 11.219 1.00 0.00 H new ATOM 0 HA LYS A 48 5.904 0.856 12.592 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.626 0.913 10.066 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.611 2.105 11.350 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.237 -0.250 12.694 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.068 -0.437 11.163 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.215 1.693 11.458 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.281 2.046 12.898 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.572 1.197 13.411 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.305 0.206 14.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.149 -1.028 12.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.593 -1.433 12.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.587 -0.427 11.503 1.00 0.00 H new ATOM 772 N VAL A 49 4.376 0.451 9.881 1.00 0.00 N ATOM 773 CA VAL A 49 3.371 0.982 8.971 1.00 0.00 C ATOM 774 C VAL A 49 2.289 1.767 9.710 1.00 0.00 C ATOM 775 O VAL A 49 1.794 1.336 10.754 1.00 0.00 O ATOM 776 CB VAL A 49 2.707 -0.151 8.175 1.00 0.00 C ATOM 777 CG1 VAL A 49 1.661 0.400 7.215 1.00 0.00 C ATOM 778 CG2 VAL A 49 3.764 -0.949 7.435 1.00 0.00 C ATOM 0 H VAL A 49 4.474 -0.564 9.852 1.00 0.00 H new ATOM 0 HA VAL A 49 3.889 1.659 8.292 1.00 0.00 H new ATOM 0 HB VAL A 49 2.194 -0.816 8.870 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.205 -0.422 6.663 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.893 0.929 7.779 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.136 1.088 6.515 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.287 -1.751 6.872 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.300 -0.294 6.749 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.465 -1.376 8.152 1.00 0.00 H new ATOM 788 N GLU A 50 1.929 2.916 9.155 1.00 0.00 N ATOM 789 CA GLU A 50 0.866 3.737 9.706 1.00 0.00 C ATOM 790 C GLU A 50 -0.130 4.104 8.612 1.00 0.00 C ATOM 791 O GLU A 50 0.231 4.226 7.438 1.00 0.00 O ATOM 792 CB GLU A 50 1.422 5.019 10.336 1.00 0.00 C ATOM 793 CG GLU A 50 2.421 4.794 11.459 1.00 0.00 C ATOM 794 CD GLU A 50 2.976 6.098 12.002 1.00 0.00 C ATOM 795 OE1 GLU A 50 4.190 6.351 11.841 1.00 0.00 O ATOM 796 OE2 GLU A 50 2.198 6.892 12.574 1.00 0.00 O ATOM 0 H GLU A 50 2.363 3.301 8.316 1.00 0.00 H new ATOM 0 HA GLU A 50 0.366 3.158 10.483 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.900 5.613 9.557 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.590 5.609 10.721 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.940 4.242 12.266 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.241 4.176 11.095 1.00 0.00 H new ATOM 803 N HIS A 51 -1.379 4.261 9.003 1.00 0.00 N ATOM 804 CA HIS A 51 -2.418 4.723 8.088 1.00 0.00 C ATOM 805 C HIS A 51 -2.900 6.115 8.473 1.00 0.00 C ATOM 806 O HIS A 51 -3.217 6.384 9.634 1.00 0.00 O ATOM 807 CB HIS A 51 -3.599 3.741 8.011 1.00 0.00 C ATOM 808 CG HIS A 51 -4.258 3.417 9.320 1.00 0.00 C ATOM 809 ND1 HIS A 51 -5.566 3.758 9.559 1.00 0.00 N ATOM 810 CD2 HIS A 51 -3.767 2.761 10.397 1.00 0.00 C ATOM 811 CE1 HIS A 51 -5.844 3.302 10.768 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.784 2.690 11.315 1.00 0.00 N ATOM 0 H HIS A 51 -1.706 4.076 9.951 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.972 4.772 7.095 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.350 4.156 7.339 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.248 2.812 7.562 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.767 2.369 10.512 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.803 3.409 11.253 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.742 2.255 12.237 1.00 0.00 H new ATOM 820 N SER A 52 -2.929 6.997 7.485 1.00 0.00 N ATOM 821 CA SER A 52 -3.315 8.387 7.695 1.00 0.00 C ATOM 822 C SER A 52 -4.837 8.519 7.767 1.00 0.00 C ATOM 823 O SER A 52 -5.556 7.531 7.607 1.00 0.00 O ATOM 824 CB SER A 52 -2.751 9.253 6.549 1.00 0.00 C ATOM 825 OG SER A 52 -2.923 10.637 6.799 1.00 0.00 O ATOM 0 H SER A 52 -2.687 6.773 6.520 1.00 0.00 H new ATOM 0 HA SER A 52 -2.903 8.733 8.643 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.691 9.037 6.418 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.248 8.988 5.616 1.00 0.00 H new ATOM 0 HG SER A 52 -2.552 11.153 6.053 1.00 0.00 H new ATOM 973 N PHE A 62 -13.803 6.508 -1.664 1.00 0.00 N ATOM 974 CA PHE A 62 -13.033 6.886 -0.494 1.00 0.00 C ATOM 975 C PHE A 62 -11.648 6.274 -0.602 1.00 0.00 C ATOM 976 O PHE A 62 -11.490 5.172 -1.133 1.00 0.00 O ATOM 977 CB PHE A 62 -13.712 6.394 0.793 1.00 0.00 C ATOM 978 CG PHE A 62 -15.199 6.646 0.866 1.00 0.00 C ATOM 979 CD1 PHE A 62 -16.089 5.815 0.198 1.00 0.00 C ATOM 980 CD2 PHE A 62 -15.709 7.695 1.620 1.00 0.00 C ATOM 981 CE1 PHE A 62 -17.451 6.025 0.278 1.00 0.00 C ATOM 982 CE2 PHE A 62 -17.075 7.909 1.700 1.00 0.00 C ATOM 983 CZ PHE A 62 -17.944 7.072 1.029 1.00 0.00 C ATOM 0 HA PHE A 62 -12.966 7.973 -0.450 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -13.535 5.323 0.893 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -13.234 6.877 1.645 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -15.710 4.993 -0.392 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -15.033 8.351 2.149 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -18.130 5.370 -0.247 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -17.460 8.730 2.287 1.00 0.00 H new ATOM 0 HZ PHE A 62 -19.009 7.237 1.092 1.00 0.00 H new ATOM 993 N TYR A 63 -10.657 6.986 -0.112 1.00 0.00 N ATOM 994 CA TYR A 63 -9.286 6.525 -0.197 1.00 0.00 C ATOM 995 C TYR A 63 -8.779 6.166 1.190 1.00 0.00 C ATOM 996 O TYR A 63 -9.192 6.763 2.179 1.00 0.00 O ATOM 997 CB TYR A 63 -8.405 7.624 -0.810 1.00 0.00 C ATOM 998 CG TYR A 63 -8.983 8.248 -2.062 1.00 0.00 C ATOM 999 CD1 TYR A 63 -8.862 7.628 -3.301 1.00 0.00 C ATOM 1000 CD2 TYR A 63 -9.649 9.465 -2.002 1.00 0.00 C ATOM 1001 CE1 TYR A 63 -9.388 8.208 -4.443 1.00 0.00 C ATOM 1002 CE2 TYR A 63 -10.178 10.048 -3.135 1.00 0.00 C ATOM 1003 CZ TYR A 63 -10.044 9.417 -4.353 1.00 0.00 C ATOM 1004 OH TYR A 63 -10.570 10.000 -5.483 1.00 0.00 O ATOM 0 H TYR A 63 -10.774 7.888 0.350 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.243 5.640 -0.832 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.246 8.405 -0.067 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.427 7.203 -1.044 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -8.350 6.680 -3.374 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -9.755 9.965 -1.050 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -9.285 7.716 -5.399 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -10.695 10.994 -3.068 1.00 0.00 H new ATOM 0 HH TYR A 63 -11.000 10.848 -5.244 1.00 0.00 H new ATOM 1014 N LEU A 64 -7.905 5.177 1.259 1.00 0.00 N ATOM 1015 CA LEU A 64 -7.236 4.838 2.502 1.00 0.00 C ATOM 1016 C LEU A 64 -5.768 4.568 2.219 1.00 0.00 C ATOM 1017 O LEU A 64 -5.427 3.827 1.293 1.00 0.00 O ATOM 1018 CB LEU A 64 -7.955 3.656 3.178 1.00 0.00 C ATOM 1019 CG LEU A 64 -7.189 2.897 4.263 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -8.154 2.439 5.343 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.483 1.697 3.655 1.00 0.00 C ATOM 0 H LEU A 64 -7.642 4.593 0.465 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.281 5.669 3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.880 4.030 3.617 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.236 2.944 2.402 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.444 3.558 4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.606 1.898 6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.643 3.307 5.785 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.906 1.783 4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.940 1.162 4.434 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.219 1.032 3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.783 2.035 2.891 1.00 0.00 H new ATOM 1033 N LEU A 65 -4.906 5.191 3.010 1.00 0.00 N ATOM 1034 CA LEU A 65 -3.483 5.195 2.727 1.00 0.00 C ATOM 1035 C LEU A 65 -2.703 4.495 3.838 1.00 0.00 C ATOM 1036 O LEU A 65 -2.824 4.843 5.013 1.00 0.00 O ATOM 1037 CB LEU A 65 -3.001 6.643 2.577 1.00 0.00 C ATOM 1038 CG LEU A 65 -1.829 6.866 1.615 1.00 0.00 C ATOM 1039 CD1 LEU A 65 -1.509 8.349 1.490 1.00 0.00 C ATOM 1040 CD2 LEU A 65 -0.595 6.111 2.064 1.00 0.00 C ATOM 0 H LEU A 65 -5.170 5.700 3.853 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.308 4.651 1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.841 7.251 2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.713 7.013 3.561 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.130 6.484 0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.674 8.484 0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.382 8.879 1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.241 8.747 2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.218 6.291 1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.299 6.454 3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.814 5.044 2.100 1.00 0.00 H new ATOM 1052 N TYR A 66 -1.898 3.522 3.446 1.00 0.00 N ATOM 1053 CA TYR A 66 -1.007 2.823 4.365 1.00 0.00 C ATOM 1054 C TYR A 66 0.434 3.062 3.950 1.00 0.00 C ATOM 1055 O TYR A 66 0.840 2.693 2.852 1.00 0.00 O ATOM 1056 CB TYR A 66 -1.310 1.325 4.395 1.00 0.00 C ATOM 1057 CG TYR A 66 -2.299 0.886 5.459 1.00 0.00 C ATOM 1058 CD1 TYR A 66 -3.653 0.753 5.179 1.00 0.00 C ATOM 1059 CD2 TYR A 66 -1.864 0.549 6.737 1.00 0.00 C ATOM 1060 CE1 TYR A 66 -4.537 0.303 6.137 1.00 0.00 C ATOM 1061 CE2 TYR A 66 -2.749 0.105 7.702 1.00 0.00 C ATOM 1062 CZ TYR A 66 -4.083 -0.018 7.395 1.00 0.00 C ATOM 1063 OH TYR A 66 -4.966 -0.471 8.345 1.00 0.00 O ATOM 0 H TYR A 66 -1.841 3.192 2.482 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.166 3.213 5.370 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.696 1.029 3.419 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.375 0.785 4.546 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.019 1.006 4.195 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.815 0.636 6.980 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.586 0.203 5.899 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.394 -0.144 8.691 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.484 -0.654 9.179 1.00 0.00 H new ATOM 1073 N TYR A 67 1.200 3.698 4.820 1.00 0.00 N ATOM 1074 CA TYR A 67 2.563 4.074 4.472 1.00 0.00 C ATOM 1075 C TYR A 67 3.539 3.812 5.607 1.00 0.00 C ATOM 1076 O TYR A 67 3.143 3.599 6.754 1.00 0.00 O ATOM 1077 CB TYR A 67 2.627 5.554 4.050 1.00 0.00 C ATOM 1078 CG TYR A 67 2.237 6.551 5.124 1.00 0.00 C ATOM 1079 CD1 TYR A 67 3.195 7.094 5.972 1.00 0.00 C ATOM 1080 CD2 TYR A 67 0.920 6.969 5.272 1.00 0.00 C ATOM 1081 CE1 TYR A 67 2.852 8.020 6.937 1.00 0.00 C ATOM 1082 CE2 TYR A 67 0.568 7.893 6.237 1.00 0.00 C ATOM 1083 CZ TYR A 67 1.538 8.416 7.067 1.00 0.00 C ATOM 1084 OH TYR A 67 1.196 9.342 8.026 1.00 0.00 O ATOM 0 H TYR A 67 0.908 3.963 5.761 1.00 0.00 H new ATOM 0 HA TYR A 67 2.861 3.448 3.631 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.642 5.777 3.721 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.974 5.698 3.189 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.226 6.786 5.874 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.159 6.565 4.622 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.610 8.432 7.587 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.461 8.204 6.341 1.00 0.00 H new ATOM 0 HH TYR A 67 0.232 9.514 7.986 1.00 0.00 H new ATOM 1094 N THR A 68 4.822 3.821 5.265 1.00 0.00 N ATOM 1095 CA THR A 68 5.883 3.620 6.241 1.00 0.00 C ATOM 1096 C THR A 68 7.181 4.257 5.746 1.00 0.00 C ATOM 1097 O THR A 68 7.381 4.435 4.539 1.00 0.00 O ATOM 1098 CB THR A 68 6.122 2.114 6.526 1.00 0.00 C ATOM 1099 OG1 THR A 68 7.046 1.949 7.610 1.00 0.00 O ATOM 1100 CG2 THR A 68 6.659 1.395 5.296 1.00 0.00 C ATOM 0 H THR A 68 5.153 3.967 4.311 1.00 0.00 H new ATOM 0 HA THR A 68 5.569 4.096 7.170 1.00 0.00 H new ATOM 0 HB THR A 68 5.160 1.677 6.795 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.185 0.994 7.779 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.816 0.342 5.530 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.941 1.483 4.481 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.606 1.845 4.996 1.00 0.00 H new ATOM 1108 N GLU A 69 8.036 4.624 6.688 1.00 0.00 N ATOM 1109 CA GLU A 69 9.351 5.159 6.372 1.00 0.00 C ATOM 1110 C GLU A 69 10.334 4.005 6.197 1.00 0.00 C ATOM 1111 O GLU A 69 10.429 3.120 7.053 1.00 0.00 O ATOM 1112 CB GLU A 69 9.793 6.128 7.484 1.00 0.00 C ATOM 1113 CG GLU A 69 11.128 6.824 7.243 1.00 0.00 C ATOM 1114 CD GLU A 69 12.319 5.969 7.622 1.00 0.00 C ATOM 1115 OE1 GLU A 69 13.174 5.711 6.753 1.00 0.00 O ATOM 1116 OE2 GLU A 69 12.398 5.544 8.792 1.00 0.00 O ATOM 0 H GLU A 69 7.840 4.560 7.687 1.00 0.00 H new ATOM 0 HA GLU A 69 9.320 5.719 5.438 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.022 6.888 7.609 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.853 5.577 8.422 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.204 7.097 6.190 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.157 7.751 7.816 1.00 0.00 H new ATOM 1123 N PHE A 70 11.034 4.003 5.072 1.00 0.00 N ATOM 1124 CA PHE A 70 11.909 2.897 4.718 1.00 0.00 C ATOM 1125 C PHE A 70 13.160 3.409 4.007 1.00 0.00 C ATOM 1126 O PHE A 70 13.165 4.514 3.463 1.00 0.00 O ATOM 1127 CB PHE A 70 11.161 1.872 3.844 1.00 0.00 C ATOM 1128 CG PHE A 70 10.767 2.358 2.470 1.00 0.00 C ATOM 1129 CD1 PHE A 70 10.400 3.670 2.257 1.00 0.00 C ATOM 1130 CD2 PHE A 70 10.760 1.487 1.393 1.00 0.00 C ATOM 1131 CE1 PHE A 70 10.040 4.110 0.996 1.00 0.00 C ATOM 1132 CE2 PHE A 70 10.399 1.917 0.130 1.00 0.00 C ATOM 1133 CZ PHE A 70 10.039 3.232 -0.070 1.00 0.00 C ATOM 0 H PHE A 70 11.012 4.758 4.387 1.00 0.00 H new ATOM 0 HA PHE A 70 12.221 2.397 5.635 1.00 0.00 H new ATOM 0 HB2 PHE A 70 11.789 0.988 3.732 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.261 1.558 4.372 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.394 4.363 3.085 1.00 0.00 H new ATOM 0 HD2 PHE A 70 11.041 0.455 1.543 1.00 0.00 H new ATOM 0 HE1 PHE A 70 9.759 5.142 0.845 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.399 1.224 -0.698 1.00 0.00 H new ATOM 0 HZ PHE A 70 9.758 3.574 -1.055 1.00 0.00 H new ATOM 1143 N THR A 71 14.222 2.619 4.029 1.00 0.00 N ATOM 1144 CA THR A 71 15.427 2.943 3.280 1.00 0.00 C ATOM 1145 C THR A 71 15.681 1.881 2.207 1.00 0.00 C ATOM 1146 O THR A 71 16.335 0.872 2.475 1.00 0.00 O ATOM 1147 CB THR A 71 16.648 3.033 4.213 1.00 0.00 C ATOM 1148 OG1 THR A 71 16.302 3.808 5.364 1.00 0.00 O ATOM 1149 CG2 THR A 71 17.840 3.672 3.507 1.00 0.00 C ATOM 0 H THR A 71 14.274 1.748 4.558 1.00 0.00 H new ATOM 0 HA THR A 71 15.279 3.913 2.805 1.00 0.00 H new ATOM 0 HB THR A 71 16.932 2.023 4.509 1.00 0.00 H new ATOM 0 HG1 THR A 71 17.075 3.867 5.963 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.686 3.721 4.193 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.112 3.073 2.638 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.575 4.679 3.185 1.00 0.00 H new ATOM 1157 N PRO A 72 15.118 2.071 0.998 1.00 0.00 N ATOM 1158 CA PRO A 72 15.313 1.161 -0.140 1.00 0.00 C ATOM 1159 C PRO A 72 16.775 0.855 -0.425 1.00 0.00 C ATOM 1160 O PRO A 72 17.654 1.700 -0.254 1.00 0.00 O ATOM 1161 CB PRO A 72 14.710 1.926 -1.336 1.00 0.00 C ATOM 1162 CG PRO A 72 14.409 3.304 -0.835 1.00 0.00 C ATOM 1163 CD PRO A 72 14.216 3.174 0.646 1.00 0.00 C ATOM 0 HA PRO A 72 14.850 0.195 0.060 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.410 1.959 -2.171 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.806 1.436 -1.697 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.226 3.989 -1.063 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.514 3.705 -1.311 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.478 4.093 1.170 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.181 2.946 0.900 1.00 0.00 H new ATOM 1171 N THR A 73 17.017 -0.370 -0.857 1.00 0.00 N ATOM 1172 CA THR A 73 18.331 -0.814 -1.266 1.00 0.00 C ATOM 1173 C THR A 73 18.185 -1.674 -2.516 1.00 0.00 C ATOM 1174 O THR A 73 17.064 -1.983 -2.924 1.00 0.00 O ATOM 1175 CB THR A 73 19.058 -1.628 -0.167 1.00 0.00 C ATOM 1176 OG1 THR A 73 18.424 -2.899 0.009 1.00 0.00 O ATOM 1177 CG2 THR A 73 19.063 -0.885 1.162 1.00 0.00 C ATOM 0 H THR A 73 16.297 -1.089 -0.933 1.00 0.00 H new ATOM 0 HA THR A 73 18.936 0.071 -1.461 1.00 0.00 H new ATOM 0 HB THR A 73 20.089 -1.770 -0.492 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.513 -2.862 -0.349 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.581 -1.484 1.912 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.575 0.070 1.043 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.037 -0.709 1.484 1.00 0.00 H new ATOM 1185 N GLU A 74 19.291 -2.041 -3.131 1.00 0.00 N ATOM 1186 CA GLU A 74 19.267 -2.921 -4.290 1.00 0.00 C ATOM 1187 C GLU A 74 18.814 -4.328 -3.894 1.00 0.00 C ATOM 1188 O GLU A 74 18.026 -4.969 -4.591 1.00 0.00 O ATOM 1189 CB GLU A 74 20.677 -2.957 -4.882 1.00 0.00 C ATOM 1190 CG GLU A 74 20.781 -3.471 -6.301 1.00 0.00 C ATOM 1191 CD GLU A 74 20.736 -4.978 -6.392 1.00 0.00 C ATOM 1192 OE1 GLU A 74 19.717 -5.526 -6.866 1.00 0.00 O ATOM 1193 OE2 GLU A 74 21.726 -5.619 -5.996 1.00 0.00 O ATOM 0 H GLU A 74 20.225 -1.743 -2.848 1.00 0.00 H new ATOM 0 HA GLU A 74 18.557 -2.547 -5.028 1.00 0.00 H new ATOM 0 HB2 GLU A 74 21.091 -1.949 -4.849 1.00 0.00 H new ATOM 0 HB3 GLU A 74 21.303 -3.579 -4.243 1.00 0.00 H new ATOM 0 HG2 GLU A 74 19.967 -3.053 -6.893 1.00 0.00 H new ATOM 0 HG3 GLU A 74 21.711 -3.114 -6.743 1.00 0.00 H new ATOM 1200 N LYS A 75 19.288 -4.771 -2.745 1.00 0.00 N ATOM 1201 CA LYS A 75 19.117 -6.135 -2.310 1.00 0.00 C ATOM 1202 C LYS A 75 17.769 -6.396 -1.646 1.00 0.00 C ATOM 1203 O LYS A 75 17.258 -7.516 -1.712 1.00 0.00 O ATOM 1204 CB LYS A 75 20.250 -6.517 -1.362 1.00 0.00 C ATOM 1205 CG LYS A 75 21.584 -6.638 -2.074 1.00 0.00 C ATOM 1206 CD LYS A 75 21.417 -7.479 -3.316 1.00 0.00 C ATOM 1207 CE LYS A 75 22.729 -7.682 -4.059 1.00 0.00 C ATOM 1208 NZ LYS A 75 22.536 -8.412 -5.341 1.00 0.00 N ATOM 0 H LYS A 75 19.805 -4.188 -2.087 1.00 0.00 H new ATOM 0 HA LYS A 75 19.144 -6.757 -3.205 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.329 -5.768 -0.574 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.012 -7.465 -0.879 1.00 0.00 H new ATOM 0 HG2 LYS A 75 21.958 -5.649 -2.339 1.00 0.00 H new ATOM 0 HG3 LYS A 75 22.322 -7.091 -1.412 1.00 0.00 H new ATOM 0 HD2 LYS A 75 21.004 -8.450 -3.042 1.00 0.00 H new ATOM 0 HD3 LYS A 75 20.696 -7.002 -3.980 1.00 0.00 H new ATOM 0 HE2 LYS A 75 23.186 -6.713 -4.259 1.00 0.00 H new ATOM 0 HE3 LYS A 75 23.422 -8.237 -3.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 23.437 -8.838 -5.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 21.825 -9.160 -5.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 22.210 -7.749 -6.073 1.00 0.00 H new ATOM 1222 N ASP A 76 17.176 -5.383 -1.023 1.00 0.00 N ATOM 1223 CA ASP A 76 15.934 -5.599 -0.280 1.00 0.00 C ATOM 1224 C ASP A 76 14.715 -5.247 -1.133 1.00 0.00 C ATOM 1225 O ASP A 76 14.850 -4.754 -2.254 1.00 0.00 O ATOM 1226 CB ASP A 76 15.940 -4.817 1.049 1.00 0.00 C ATOM 1227 CG ASP A 76 15.598 -3.344 0.935 1.00 0.00 C ATOM 1228 OD1 ASP A 76 15.064 -2.796 1.916 1.00 0.00 O ATOM 1229 OD2 ASP A 76 15.878 -2.730 -0.112 1.00 0.00 O ATOM 0 H ASP A 76 17.523 -4.424 -1.015 1.00 0.00 H new ATOM 0 HA ASP A 76 15.868 -6.659 -0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.231 -5.286 1.731 1.00 0.00 H new ATOM 0 HB3 ASP A 76 16.927 -4.910 1.502 1.00 0.00 H new ATOM 1234 N GLU A 77 13.523 -5.527 -0.614 1.00 0.00 N ATOM 1235 CA GLU A 77 12.301 -5.326 -1.379 1.00 0.00 C ATOM 1236 C GLU A 77 11.128 -5.165 -0.425 1.00 0.00 C ATOM 1237 O GLU A 77 11.128 -5.739 0.661 1.00 0.00 O ATOM 1238 CB GLU A 77 12.095 -6.524 -2.339 1.00 0.00 C ATOM 1239 CG GLU A 77 10.739 -6.600 -3.065 1.00 0.00 C ATOM 1240 CD GLU A 77 9.777 -7.581 -2.407 1.00 0.00 C ATOM 1241 OE1 GLU A 77 9.225 -7.269 -1.331 1.00 0.00 O ATOM 1242 OE2 GLU A 77 9.566 -8.676 -2.974 1.00 0.00 O ATOM 0 H GLU A 77 13.380 -5.892 0.328 1.00 0.00 H new ATOM 0 HA GLU A 77 12.374 -4.419 -1.979 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.883 -6.497 -3.091 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.229 -7.444 -1.770 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.285 -5.609 -3.084 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.902 -6.896 -4.101 1.00 0.00 H new ATOM 1249 N TYR A 78 10.158 -4.355 -0.820 1.00 0.00 N ATOM 1250 CA TYR A 78 8.973 -4.119 -0.026 1.00 0.00 C ATOM 1251 C TYR A 78 7.743 -4.458 -0.847 1.00 0.00 C ATOM 1252 O TYR A 78 7.762 -4.356 -2.075 1.00 0.00 O ATOM 1253 CB TYR A 78 8.906 -2.658 0.440 1.00 0.00 C ATOM 1254 CG TYR A 78 10.179 -2.145 1.081 1.00 0.00 C ATOM 1255 CD1 TYR A 78 10.225 -1.874 2.438 1.00 0.00 C ATOM 1256 CD2 TYR A 78 11.329 -1.915 0.328 1.00 0.00 C ATOM 1257 CE1 TYR A 78 11.374 -1.389 3.026 1.00 0.00 C ATOM 1258 CE2 TYR A 78 12.482 -1.439 0.914 1.00 0.00 C ATOM 1259 CZ TYR A 78 12.498 -1.175 2.263 1.00 0.00 C ATOM 1260 OH TYR A 78 13.638 -0.686 2.852 1.00 0.00 O ATOM 0 H TYR A 78 10.175 -3.844 -1.703 1.00 0.00 H new ATOM 0 HA TYR A 78 9.012 -4.755 0.859 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.665 -2.027 -0.416 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.088 -2.554 1.153 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.348 -2.045 3.045 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.316 -2.113 -0.734 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.391 -1.177 4.085 1.00 0.00 H new ATOM 0 HE2 TYR A 78 13.367 -1.274 0.317 1.00 0.00 H new ATOM 0 HH TYR A 78 14.386 -1.292 2.670 1.00 0.00 H new ATOM 1270 N ALA A 79 6.678 -4.860 -0.177 1.00 0.00 N ATOM 1271 CA ALA A 79 5.459 -5.279 -0.866 1.00 0.00 C ATOM 1272 C ALA A 79 4.220 -4.700 -0.202 1.00 0.00 C ATOM 1273 O ALA A 79 4.287 -4.192 0.909 1.00 0.00 O ATOM 1274 CB ALA A 79 5.365 -6.795 -0.930 1.00 0.00 C ATOM 0 H ALA A 79 6.627 -4.907 0.841 1.00 0.00 H new ATOM 0 HA ALA A 79 5.509 -4.892 -1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.449 -7.081 -1.447 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.225 -7.190 -1.470 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.353 -7.202 0.081 1.00 0.00 H new ATOM 1280 N CYS A 80 3.105 -4.728 -0.904 1.00 0.00 N ATOM 1281 CA CYS A 80 1.832 -4.293 -0.349 1.00 0.00 C ATOM 1282 C CYS A 80 0.851 -5.464 -0.302 1.00 0.00 C ATOM 1283 O CYS A 80 0.686 -6.171 -1.294 1.00 0.00 O ATOM 1284 CB CYS A 80 1.243 -3.166 -1.199 1.00 0.00 C ATOM 1285 SG CYS A 80 1.702 -1.490 -0.661 1.00 0.00 S ATOM 0 H CYS A 80 3.052 -5.050 -1.870 1.00 0.00 H new ATOM 0 HA CYS A 80 2.002 -3.926 0.663 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.564 -3.302 -2.232 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.156 -3.251 -1.189 1.00 0.00 H new ATOM 1290 N ARG A 81 0.212 -5.666 0.841 1.00 0.00 N ATOM 1291 CA ARG A 81 -0.778 -6.731 1.006 1.00 0.00 C ATOM 1292 C ARG A 81 -2.132 -6.126 1.342 1.00 0.00 C ATOM 1293 O ARG A 81 -2.203 -5.186 2.124 1.00 0.00 O ATOM 1294 CB ARG A 81 -0.390 -7.653 2.157 1.00 0.00 C ATOM 1295 CG ARG A 81 -1.109 -8.989 2.147 1.00 0.00 C ATOM 1296 CD ARG A 81 -1.134 -9.618 3.532 1.00 0.00 C ATOM 1297 NE ARG A 81 0.176 -9.645 4.173 1.00 0.00 N ATOM 1298 CZ ARG A 81 0.736 -10.739 4.685 1.00 0.00 C ATOM 1299 NH1 ARG A 81 0.176 -11.928 4.506 1.00 0.00 N ATOM 1300 NH2 ARG A 81 1.871 -10.649 5.365 1.00 0.00 N ATOM 0 H ARG A 81 0.361 -5.102 1.678 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.822 -7.294 0.074 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.685 -7.830 2.120 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.598 -7.147 3.100 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.130 -8.852 1.790 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.615 -9.664 1.448 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.829 -9.064 4.163 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.515 -10.636 3.455 1.00 0.00 H new ATOM 0 HE ARG A 81 0.696 -8.770 4.233 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.690 -12.009 3.973 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.611 -12.761 4.901 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.316 -9.741 5.496 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.299 -11.488 5.757 1.00 0.00 H new ATOM 1314 N VAL A 82 -3.207 -6.654 0.776 1.00 0.00 N ATOM 1315 CA VAL A 82 -4.541 -6.205 1.171 1.00 0.00 C ATOM 1316 C VAL A 82 -5.467 -7.381 1.401 1.00 0.00 C ATOM 1317 O VAL A 82 -5.382 -8.408 0.725 1.00 0.00 O ATOM 1318 CB VAL A 82 -5.192 -5.235 0.165 1.00 0.00 C ATOM 1319 CG1 VAL A 82 -4.175 -4.260 -0.356 1.00 0.00 C ATOM 1320 CG2 VAL A 82 -5.881 -5.965 -0.971 1.00 0.00 C ATOM 0 H VAL A 82 -3.189 -7.378 0.057 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.395 -5.656 2.101 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.965 -4.681 0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.651 -3.582 -1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.763 -3.686 0.474 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.373 -4.803 -0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.324 -5.240 -1.654 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.152 -6.571 -1.509 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.663 -6.609 -0.568 1.00 0.00 H new ATOM 1330 N ASN A 83 -6.320 -7.220 2.388 1.00 0.00 N ATOM 1331 CA ASN A 83 -7.289 -8.237 2.755 1.00 0.00 C ATOM 1332 C ASN A 83 -8.707 -7.697 2.637 1.00 0.00 C ATOM 1333 O ASN A 83 -9.045 -6.688 3.261 1.00 0.00 O ATOM 1334 CB ASN A 83 -7.048 -8.693 4.204 1.00 0.00 C ATOM 1335 CG ASN A 83 -5.637 -9.199 4.447 1.00 0.00 C ATOM 1336 OD1 ASN A 83 -5.379 -10.399 4.414 1.00 0.00 O ATOM 1337 ND2 ASN A 83 -4.708 -8.285 4.674 1.00 0.00 N ATOM 0 H ASN A 83 -6.364 -6.378 2.963 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.169 -9.080 2.075 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.249 -7.860 4.878 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.758 -9.482 4.452 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.741 -8.569 4.829 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.959 -7.297 4.694 1.00 0.00 H new ATOM 1344 N HIS A 84 -9.535 -8.350 1.830 1.00 0.00 N ATOM 1345 CA HIS A 84 -10.940 -8.007 1.754 1.00 0.00 C ATOM 1346 C HIS A 84 -11.744 -9.254 1.419 1.00 0.00 C ATOM 1347 O HIS A 84 -11.175 -10.255 0.987 1.00 0.00 O ATOM 1348 CB HIS A 84 -11.184 -6.924 0.708 1.00 0.00 C ATOM 1349 CG HIS A 84 -12.396 -6.098 1.000 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -13.555 -6.250 0.284 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -12.572 -5.134 1.938 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -14.410 -5.381 0.795 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -13.859 -4.681 1.799 1.00 0.00 N ATOM 0 H HIS A 84 -9.253 -9.119 1.222 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.259 -7.615 2.720 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.311 -6.274 0.655 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.295 -7.390 -0.271 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.841 -4.790 2.655 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.424 -5.251 0.448 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.310 -3.952 2.352 1.00 0.00 H new ATOM 1361 N VAL A 85 -13.055 -9.205 1.602 1.00 0.00 N ATOM 1362 CA VAL A 85 -13.880 -10.380 1.378 1.00 0.00 C ATOM 1363 C VAL A 85 -13.883 -10.782 -0.096 1.00 0.00 C ATOM 1364 O VAL A 85 -14.085 -11.953 -0.424 1.00 0.00 O ATOM 1365 CB VAL A 85 -15.336 -10.166 1.855 1.00 0.00 C ATOM 1366 CG1 VAL A 85 -15.368 -9.858 3.341 1.00 0.00 C ATOM 1367 CG2 VAL A 85 -16.024 -9.060 1.068 1.00 0.00 C ATOM 0 H VAL A 85 -13.565 -8.374 1.902 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.439 -11.183 1.968 1.00 0.00 H new ATOM 0 HB VAL A 85 -15.883 -11.091 1.676 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -16.400 -9.710 3.660 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.933 -10.690 3.894 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.794 -8.952 3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -17.045 -8.937 1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.478 -8.126 1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -16.043 -9.324 0.011 1.00 0.00 H new ATOM 1377 N THR A 86 -13.640 -9.816 -0.978 1.00 0.00 N ATOM 1378 CA THR A 86 -13.755 -10.048 -2.407 1.00 0.00 C ATOM 1379 C THR A 86 -12.600 -10.889 -2.926 1.00 0.00 C ATOM 1380 O THR A 86 -12.785 -11.785 -3.751 1.00 0.00 O ATOM 1381 CB THR A 86 -13.781 -8.720 -3.187 1.00 0.00 C ATOM 1382 OG1 THR A 86 -12.503 -8.078 -3.093 1.00 0.00 O ATOM 1383 CG2 THR A 86 -14.845 -7.780 -2.647 1.00 0.00 C ATOM 0 H THR A 86 -13.363 -8.868 -0.724 1.00 0.00 H new ATOM 0 HA THR A 86 -14.692 -10.582 -2.562 1.00 0.00 H new ATOM 0 HB THR A 86 -14.014 -8.949 -4.227 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.023 -8.179 -3.941 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.836 -6.853 -3.220 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.824 -8.251 -2.734 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.639 -7.561 -1.599 1.00 0.00 H new ATOM 1391 N LEU A 87 -11.405 -10.581 -2.448 1.00 0.00 N ATOM 1392 CA LEU A 87 -10.214 -11.270 -2.895 1.00 0.00 C ATOM 1393 C LEU A 87 -10.187 -12.667 -2.298 1.00 0.00 C ATOM 1394 O LEU A 87 -10.071 -12.824 -1.082 1.00 0.00 O ATOM 1395 CB LEU A 87 -8.951 -10.494 -2.499 1.00 0.00 C ATOM 1396 CG LEU A 87 -8.795 -9.116 -3.151 1.00 0.00 C ATOM 1397 CD1 LEU A 87 -7.441 -8.506 -2.809 1.00 0.00 C ATOM 1398 CD2 LEU A 87 -8.971 -9.215 -4.659 1.00 0.00 C ATOM 0 H LEU A 87 -11.238 -9.857 -1.750 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.234 -11.341 -3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.947 -10.367 -1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.080 -11.098 -2.752 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.573 -8.462 -2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.352 -7.528 -3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.355 -8.395 -1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.646 -9.158 -3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.857 -8.227 -5.104 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.218 -9.887 -5.070 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.965 -9.602 -4.885 1.00 0.00 H new ATOM 1410 N SER A 88 -10.313 -13.673 -3.156 1.00 0.00 N ATOM 1411 CA SER A 88 -10.327 -15.065 -2.725 1.00 0.00 C ATOM 1412 C SER A 88 -9.017 -15.423 -2.021 1.00 0.00 C ATOM 1413 O SER A 88 -8.935 -16.401 -1.277 1.00 0.00 O ATOM 1414 CB SER A 88 -10.564 -15.965 -3.936 1.00 0.00 C ATOM 1415 OG SER A 88 -9.577 -15.746 -4.932 1.00 0.00 O ATOM 0 H SER A 88 -10.408 -13.548 -4.164 1.00 0.00 H new ATOM 0 HA SER A 88 -11.136 -15.215 -2.010 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.548 -17.010 -3.626 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.553 -15.771 -4.350 1.00 0.00 H new ATOM 0 HG SER A 88 -9.748 -16.334 -5.697 1.00 0.00 H new ATOM 1421 N GLN A 89 -7.996 -14.619 -2.280 1.00 0.00 N ATOM 1422 CA GLN A 89 -6.736 -14.664 -1.564 1.00 0.00 C ATOM 1423 C GLN A 89 -6.311 -13.212 -1.379 1.00 0.00 C ATOM 1424 O GLN A 89 -6.392 -12.455 -2.349 1.00 0.00 O ATOM 1425 CB GLN A 89 -5.655 -15.377 -2.396 1.00 0.00 C ATOM 1426 CG GLN A 89 -6.124 -16.614 -3.148 1.00 0.00 C ATOM 1427 CD GLN A 89 -5.191 -16.973 -4.285 1.00 0.00 C ATOM 1428 OE1 GLN A 89 -3.985 -16.728 -4.220 1.00 0.00 O ATOM 1429 NE2 GLN A 89 -5.739 -17.551 -5.339 1.00 0.00 N ATOM 0 H GLN A 89 -8.024 -13.905 -3.008 1.00 0.00 H new ATOM 0 HA GLN A 89 -6.852 -15.201 -0.622 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.247 -14.667 -3.116 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.839 -15.663 -1.732 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.194 -17.454 -2.457 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.126 -16.441 -3.542 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -6.742 -17.737 -5.355 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -5.159 -17.811 -6.137 1.00 0.00 H new ATOM 1438 N PRO A 90 -5.927 -12.754 -0.163 1.00 0.00 N ATOM 1439 CA PRO A 90 -5.331 -11.419 -0.003 1.00 0.00 C ATOM 1440 C PRO A 90 -4.291 -11.134 -1.069 1.00 0.00 C ATOM 1441 O PRO A 90 -3.577 -12.033 -1.516 1.00 0.00 O ATOM 1442 CB PRO A 90 -4.683 -11.514 1.365 1.00 0.00 C ATOM 1443 CG PRO A 90 -5.643 -12.346 2.125 1.00 0.00 C ATOM 1444 CD PRO A 90 -6.074 -13.431 1.154 1.00 0.00 C ATOM 0 HA PRO A 90 -6.060 -10.614 -0.096 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.698 -11.977 1.315 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.551 -10.532 1.819 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.178 -12.773 3.014 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.496 -11.757 2.463 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.444 -14.317 1.228 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.100 -13.753 1.333 1.00 0.00 H new ATOM 1452 N LYS A 91 -4.173 -9.880 -1.439 1.00 0.00 N ATOM 1453 CA LYS A 91 -3.410 -9.530 -2.608 1.00 0.00 C ATOM 1454 C LYS A 91 -2.092 -8.896 -2.220 1.00 0.00 C ATOM 1455 O LYS A 91 -2.061 -7.944 -1.443 1.00 0.00 O ATOM 1456 CB LYS A 91 -4.190 -8.575 -3.495 1.00 0.00 C ATOM 1457 CG LYS A 91 -3.516 -8.368 -4.828 1.00 0.00 C ATOM 1458 CD LYS A 91 -3.456 -9.667 -5.602 1.00 0.00 C ATOM 1459 CE LYS A 91 -4.817 -10.097 -6.123 1.00 0.00 C ATOM 1460 NZ LYS A 91 -4.725 -11.365 -6.895 1.00 0.00 N ATOM 0 H LYS A 91 -4.594 -9.091 -0.949 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.213 -10.448 -3.161 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.195 -8.966 -3.653 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.297 -7.615 -2.989 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.060 -7.620 -5.404 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.508 -7.982 -4.676 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.768 -9.555 -6.440 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.052 -10.450 -4.960 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.504 -10.227 -5.287 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.231 -9.312 -6.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.670 -11.632 -7.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.088 -11.232 -7.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.353 -12.118 -6.282 1.00 0.00 H new ATOM 1474 N ILE A 92 -1.012 -9.435 -2.751 1.00 0.00 N ATOM 1475 CA ILE A 92 0.306 -8.867 -2.542 1.00 0.00 C ATOM 1476 C ILE A 92 0.843 -8.330 -3.855 1.00 0.00 C ATOM 1477 O ILE A 92 0.849 -9.025 -4.870 1.00 0.00 O ATOM 1478 CB ILE A 92 1.337 -9.884 -1.987 1.00 0.00 C ATOM 1479 CG1 ILE A 92 0.966 -10.379 -0.582 1.00 0.00 C ATOM 1480 CG2 ILE A 92 2.732 -9.272 -1.969 1.00 0.00 C ATOM 1481 CD1 ILE A 92 -0.158 -11.390 -0.550 1.00 0.00 C ATOM 0 H ILE A 92 -1.022 -10.272 -3.334 1.00 0.00 H new ATOM 0 HA ILE A 92 0.181 -8.078 -1.800 1.00 0.00 H new ATOM 0 HB ILE A 92 1.326 -10.746 -2.654 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.849 -10.822 -0.122 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.684 -9.521 0.029 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.443 -9.999 -1.577 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.020 -8.993 -2.983 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.732 -8.386 -1.335 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.353 -11.684 0.481 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.058 -10.948 -0.978 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.126 -12.268 -1.130 1.00 0.00 H new ATOM 1493 N VAL A 93 1.279 -7.093 -3.827 1.00 0.00 N ATOM 1494 CA VAL A 93 1.940 -6.488 -4.962 1.00 0.00 C ATOM 1495 C VAL A 93 3.264 -5.905 -4.505 1.00 0.00 C ATOM 1496 O VAL A 93 3.316 -5.130 -3.553 1.00 0.00 O ATOM 1497 CB VAL A 93 1.073 -5.397 -5.627 1.00 0.00 C ATOM 1498 CG1 VAL A 93 1.828 -4.716 -6.759 1.00 0.00 C ATOM 1499 CG2 VAL A 93 -0.227 -5.995 -6.147 1.00 0.00 C ATOM 0 H VAL A 93 1.186 -6.477 -3.019 1.00 0.00 H new ATOM 0 HA VAL A 93 2.107 -7.259 -5.714 1.00 0.00 H new ATOM 0 HB VAL A 93 0.838 -4.646 -4.873 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.195 -3.952 -7.211 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.733 -4.252 -6.366 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.098 -5.456 -7.513 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.827 -5.213 -6.613 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.003 -6.768 -6.883 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.783 -6.433 -5.318 1.00 0.00 H new ATOM 1509 N LYS A 94 4.325 -6.301 -5.174 1.00 0.00 N ATOM 1510 CA LYS A 94 5.653 -5.883 -4.779 1.00 0.00 C ATOM 1511 C LYS A 94 5.901 -4.464 -5.276 1.00 0.00 C ATOM 1512 O LYS A 94 5.425 -4.084 -6.353 1.00 0.00 O ATOM 1513 CB LYS A 94 6.714 -6.853 -5.319 1.00 0.00 C ATOM 1514 CG LYS A 94 7.428 -6.370 -6.568 1.00 0.00 C ATOM 1515 CD LYS A 94 8.580 -7.285 -6.935 1.00 0.00 C ATOM 1516 CE LYS A 94 9.690 -6.518 -7.633 1.00 0.00 C ATOM 1517 NZ LYS A 94 9.197 -5.822 -8.854 1.00 0.00 N ATOM 0 H LYS A 94 4.295 -6.910 -5.992 1.00 0.00 H new ATOM 0 HA LYS A 94 5.726 -5.895 -3.692 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.454 -7.034 -4.539 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.238 -7.810 -5.534 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.722 -6.321 -7.397 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.801 -5.359 -6.407 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.972 -7.759 -6.035 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.221 -8.083 -7.585 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.116 -5.788 -6.945 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.492 -7.205 -7.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.006 -5.453 -9.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.664 -6.492 -9.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.576 -5.034 -8.578 1.00 0.00 H new ATOM 1531 N TRP A 95 6.616 -3.678 -4.489 1.00 0.00 N ATOM 1532 CA TRP A 95 6.902 -2.306 -4.851 1.00 0.00 C ATOM 1533 C TRP A 95 8.015 -2.267 -5.882 1.00 0.00 C ATOM 1534 O TRP A 95 9.062 -2.898 -5.712 1.00 0.00 O ATOM 1535 CB TRP A 95 7.305 -1.489 -3.612 1.00 0.00 C ATOM 1536 CG TRP A 95 7.677 -0.075 -3.935 1.00 0.00 C ATOM 1537 CD1 TRP A 95 6.831 0.933 -4.284 1.00 0.00 C ATOM 1538 CD2 TRP A 95 8.995 0.485 -3.943 1.00 0.00 C ATOM 1539 NE1 TRP A 95 7.538 2.084 -4.514 1.00 0.00 N ATOM 1540 CE2 TRP A 95 8.870 1.838 -4.310 1.00 0.00 C ATOM 1541 CE3 TRP A 95 10.269 -0.027 -3.675 1.00 0.00 C ATOM 1542 CZ2 TRP A 95 9.970 2.683 -4.417 1.00 0.00 C ATOM 1543 CZ3 TRP A 95 11.361 0.810 -3.782 1.00 0.00 C ATOM 1544 CH2 TRP A 95 11.204 2.158 -4.151 1.00 0.00 C ATOM 0 H TRP A 95 7.008 -3.970 -3.594 1.00 0.00 H new ATOM 0 HA TRP A 95 6.001 -1.864 -5.276 1.00 0.00 H new ATOM 0 HB2 TRP A 95 6.479 -1.487 -2.901 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.147 -1.977 -3.121 1.00 0.00 H new ATOM 0 HD1 TRP A 95 5.758 0.839 -4.367 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.137 2.980 -4.792 1.00 0.00 H new ATOM 0 HE3 TRP A 95 10.396 -1.061 -3.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 9.853 3.719 -4.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 12.349 0.425 -3.580 1.00 0.00 H new ATOM 0 HH2 TRP A 95 12.076 2.791 -4.226 1.00 0.00 H new