USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 733 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 THR OG1 : rot 180:sc= -0.388 USER MOD Set 1.2: A 87 THR OG1 : rot 166:sc= 0.611 USER MOD Set 2.1: A 30 THR OG1 : rot -160:sc= -0.586 USER MOD Set 2.2: A 33 ASN : amide:sc= 0.605 K(o=0.019,f=-4.7!) USER MOD Single : A 1 GLY N :NH3+ 178:sc= 0 (180deg=-0.00436) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl -178:sc= 0 (180deg=-0.0057) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.271 X(o=-0.27,f=-0.27) USER MOD Single : A 28 THR OG1 : rot -159:sc= -0.0101 USER MOD Single : A 29 LYS NZ :NH3+ -144:sc= -0.149 (180deg=-1.2) USER MOD Single : A 32 GLN : amide:sc= -0.044 K(o=-0.044,f=-0.68) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 40:sc= -0.348! USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -152:sc= -0.0362 (180deg=-0.344) USER MOD Single : A 56 HIS : no HD1:sc= -0.637 K(o=-0.64,f=-0.063) USER MOD Single : A 58 ASN : amide:sc= -11.2! C(o=-11!,f=-5.3!) USER MOD Single : A 70 HIS : no HE2:sc= -0.158 K(o=-0.16,f=-1) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -147:sc= -0.127 (180deg=-0.886) USER MOD Single : A 86 ASN : amide:sc= -0.292 K(o=-0.29,f=-6.8!) USER MOD Single : A 94 LYS NZ :NH3+ -128:sc= -0.0953 (180deg=-0.846) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 HIS : no HD1:sc= -0.112 K(o=-0.11,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 61.890 3.295 -24.983 1.00 0.00 N ATOM 2 CA GLY A 1 61.712 4.126 -23.758 1.00 0.00 C ATOM 3 C GLY A 1 61.867 3.252 -22.515 1.00 0.00 C ATOM 4 O GLY A 1 62.971 3.084 -21.997 1.00 0.00 O ATOM 0 H1 GLY A 1 61.750 3.886 -25.827 1.00 0.00 H new ATOM 0 H2 GLY A 1 62.850 2.896 -24.995 1.00 0.00 H new ATOM 0 H3 GLY A 1 61.194 2.522 -24.983 1.00 0.00 H new ATOM 0 HA2 GLY A 1 62.448 4.930 -23.743 1.00 0.00 H new ATOM 0 HA3 GLY A 1 60.728 4.594 -23.765 1.00 0.00 H new ATOM 10 N ALA A 2 60.748 2.710 -22.033 1.00 0.00 N ATOM 11 CA ALA A 2 60.752 1.860 -20.836 1.00 0.00 C ATOM 12 C ALA A 2 60.669 0.387 -21.218 1.00 0.00 C ATOM 13 O ALA A 2 60.140 0.039 -22.274 1.00 0.00 O ATOM 14 CB ALA A 2 59.558 2.212 -19.951 1.00 0.00 C ATOM 0 H ALA A 2 59.827 2.843 -22.451 1.00 0.00 H new ATOM 0 HA ALA A 2 61.683 2.034 -20.296 1.00 0.00 H new ATOM 0 HB1 ALA A 2 59.564 1.579 -19.063 1.00 0.00 H new ATOM 0 HB2 ALA A 2 59.623 3.258 -19.651 1.00 0.00 H new ATOM 0 HB3 ALA A 2 58.634 2.050 -20.506 1.00 0.00 H new ATOM 20 N MET A 3 61.177 -0.483 -20.343 1.00 0.00 N ATOM 21 CA MET A 3 61.131 -1.921 -20.600 1.00 0.00 C ATOM 22 C MET A 3 61.149 -2.701 -19.279 1.00 0.00 C ATOM 23 O MET A 3 62.193 -2.840 -18.643 1.00 0.00 O ATOM 24 CB MET A 3 62.335 -2.324 -21.486 1.00 0.00 C ATOM 25 CG MET A 3 61.908 -3.329 -22.567 1.00 0.00 C ATOM 26 SD MET A 3 63.364 -3.805 -23.543 1.00 0.00 S ATOM 27 CE MET A 3 62.839 -5.473 -24.025 1.00 0.00 C ATOM 0 H MET A 3 61.619 -0.221 -19.462 1.00 0.00 H new ATOM 0 HA MET A 3 60.206 -2.163 -21.123 1.00 0.00 H new ATOM 0 HB2 MET A 3 62.759 -1.437 -21.956 1.00 0.00 H new ATOM 0 HB3 MET A 3 63.118 -2.761 -20.866 1.00 0.00 H new ATOM 0 HG2 MET A 3 61.460 -4.209 -22.106 1.00 0.00 H new ATOM 0 HG3 MET A 3 61.150 -2.887 -23.213 1.00 0.00 H new ATOM 0 HE1 MET A 3 63.613 -5.935 -24.638 1.00 0.00 H new ATOM 0 HE2 MET A 3 62.676 -6.076 -23.131 1.00 0.00 H new ATOM 0 HE3 MET A 3 61.912 -5.412 -24.595 1.00 0.00 H new ATOM 37 N GLY A 4 59.989 -3.218 -18.887 1.00 0.00 N ATOM 38 CA GLY A 4 59.885 -3.999 -17.661 1.00 0.00 C ATOM 39 C GLY A 4 60.240 -3.168 -16.432 1.00 0.00 C ATOM 40 O GLY A 4 60.396 -3.708 -15.336 1.00 0.00 O ATOM 0 H GLY A 4 59.113 -3.111 -19.398 1.00 0.00 H new ATOM 0 HA2 GLY A 4 58.870 -4.384 -17.560 1.00 0.00 H new ATOM 0 HA3 GLY A 4 60.549 -4.862 -17.721 1.00 0.00 H new ATOM 44 N SER A 5 60.373 -1.855 -16.609 1.00 0.00 N ATOM 45 CA SER A 5 60.720 -0.980 -15.490 1.00 0.00 C ATOM 46 C SER A 5 60.195 0.436 -15.722 1.00 0.00 C ATOM 47 O SER A 5 60.239 0.953 -16.839 1.00 0.00 O ATOM 48 CB SER A 5 62.252 -0.963 -15.306 1.00 0.00 C ATOM 49 OG SER A 5 62.757 0.346 -15.545 1.00 0.00 O ATOM 0 H SER A 5 60.248 -1.379 -17.502 1.00 0.00 H new ATOM 0 HA SER A 5 60.252 -1.365 -14.584 1.00 0.00 H new ATOM 0 HB2 SER A 5 62.509 -1.282 -14.296 1.00 0.00 H new ATOM 0 HB3 SER A 5 62.717 -1.672 -15.992 1.00 0.00 H new ATOM 0 HG SER A 5 63.730 0.348 -15.425 1.00 0.00 H new ATOM 55 N CYS A 6 59.713 1.058 -14.648 1.00 0.00 N ATOM 56 CA CYS A 6 59.193 2.423 -14.717 1.00 0.00 C ATOM 57 C CYS A 6 58.369 2.642 -15.986 1.00 0.00 C ATOM 58 O CYS A 6 58.920 2.903 -17.055 1.00 0.00 O ATOM 59 CB CYS A 6 60.356 3.420 -14.680 1.00 0.00 C ATOM 60 SG CYS A 6 59.715 5.114 -14.733 1.00 0.00 S ATOM 0 H CYS A 6 59.671 0.639 -13.719 1.00 0.00 H new ATOM 0 HA CYS A 6 58.541 2.581 -13.858 1.00 0.00 H new ATOM 0 HB2 CYS A 6 60.945 3.272 -13.775 1.00 0.00 H new ATOM 0 HB3 CYS A 6 61.022 3.247 -15.525 1.00 0.00 H new ATOM 65 N ARG A 7 57.040 2.550 -15.859 1.00 0.00 N ATOM 66 CA ARG A 7 56.145 2.761 -17.004 1.00 0.00 C ATOM 67 C ARG A 7 55.607 4.198 -17.034 1.00 0.00 C ATOM 68 O ARG A 7 55.417 4.755 -18.112 1.00 0.00 O ATOM 69 CB ARG A 7 54.967 1.771 -16.979 1.00 0.00 C ATOM 70 CG ARG A 7 55.481 0.341 -16.760 1.00 0.00 C ATOM 71 CD ARG A 7 54.313 -0.566 -16.365 1.00 0.00 C ATOM 72 NE ARG A 7 53.672 -0.058 -15.146 1.00 0.00 N ATOM 73 CZ ARG A 7 53.650 -0.746 -13.997 1.00 0.00 C ATOM 74 NH1 ARG A 7 54.224 -1.917 -13.900 1.00 0.00 N ATOM 75 NH2 ARG A 7 53.051 -0.236 -12.955 1.00 0.00 N1+ ATOM 0 H ARG A 7 56.563 2.333 -14.984 1.00 0.00 H new ATOM 0 HA ARG A 7 56.733 2.588 -17.905 1.00 0.00 H new ATOM 0 HB2 ARG A 7 54.272 2.041 -16.184 1.00 0.00 H new ATOM 0 HB3 ARG A 7 54.415 1.827 -17.917 1.00 0.00 H new ATOM 0 HG2 ARG A 7 55.953 -0.031 -17.670 1.00 0.00 H new ATOM 0 HG3 ARG A 7 56.242 0.332 -15.980 1.00 0.00 H new ATOM 0 HD2 ARG A 7 53.586 -0.611 -17.176 1.00 0.00 H new ATOM 0 HD3 ARG A 7 54.671 -1.583 -16.201 1.00 0.00 H new ATOM 0 HE ARG A 7 53.224 0.858 -15.175 1.00 0.00 H new ATOM 0 HH11 ARG A 7 54.699 -2.321 -14.708 1.00 0.00 H new ATOM 0 HH12 ARG A 7 54.197 -2.427 -13.017 1.00 0.00 H new ATOM 0 HH21 ARG A 7 52.605 0.679 -13.020 1.00 0.00 H new ATOM 0 HH22 ARG A 7 53.029 -0.753 -12.076 1.00 0.00 H new ATOM 89 N PRO A 8 55.363 4.813 -15.891 1.00 0.00 N ATOM 90 CA PRO A 8 54.852 6.209 -15.829 1.00 0.00 C ATOM 91 C PRO A 8 55.999 7.239 -15.763 1.00 0.00 C ATOM 92 O PRO A 8 56.673 7.327 -14.737 1.00 0.00 O ATOM 93 CB PRO A 8 54.039 6.209 -14.525 1.00 0.00 C ATOM 94 CG PRO A 8 54.671 5.162 -13.638 1.00 0.00 C ATOM 95 CD PRO A 8 55.541 4.258 -14.535 1.00 0.00 C ATOM 0 HA PRO A 8 54.274 6.490 -16.710 1.00 0.00 H new ATOM 0 HB2 PRO A 8 54.065 7.190 -14.050 1.00 0.00 H new ATOM 0 HB3 PRO A 8 52.992 5.976 -14.718 1.00 0.00 H new ATOM 0 HG2 PRO A 8 55.278 5.631 -12.863 1.00 0.00 H new ATOM 0 HG3 PRO A 8 53.905 4.576 -13.131 1.00 0.00 H new ATOM 0 HD2 PRO A 8 56.587 4.282 -14.229 1.00 0.00 H new ATOM 0 HD3 PRO A 8 55.218 3.218 -14.485 1.00 0.00 H new ATOM 103 N PRO A 9 56.247 8.024 -16.801 1.00 0.00 N ATOM 104 CA PRO A 9 57.345 9.043 -16.770 1.00 0.00 C ATOM 105 C PRO A 9 57.079 10.116 -15.708 1.00 0.00 C ATOM 106 O PRO A 9 55.924 10.422 -15.411 1.00 0.00 O ATOM 107 CB PRO A 9 57.356 9.656 -18.191 1.00 0.00 C ATOM 108 CG PRO A 9 56.552 8.721 -19.037 1.00 0.00 C ATOM 109 CD PRO A 9 55.542 8.051 -18.101 1.00 0.00 C ATOM 0 HA PRO A 9 58.305 8.599 -16.507 1.00 0.00 H new ATOM 0 HB2 PRO A 9 56.922 10.656 -18.190 1.00 0.00 H new ATOM 0 HB3 PRO A 9 58.374 9.751 -18.569 1.00 0.00 H new ATOM 0 HG2 PRO A 9 56.043 9.260 -19.836 1.00 0.00 H new ATOM 0 HG3 PRO A 9 57.193 7.978 -19.512 1.00 0.00 H new ATOM 0 HD2 PRO A 9 54.612 8.616 -18.042 1.00 0.00 H new ATOM 0 HD3 PRO A 9 55.284 7.047 -18.440 1.00 0.00 H new ATOM 117 N MET A 10 58.143 10.699 -15.151 1.00 0.00 N ATOM 118 CA MET A 10 58.004 11.756 -14.143 1.00 0.00 C ATOM 119 C MET A 10 58.401 13.092 -14.761 1.00 0.00 C ATOM 120 O MET A 10 57.735 14.108 -14.565 1.00 0.00 O ATOM 121 CB MET A 10 58.908 11.440 -12.935 1.00 0.00 C ATOM 122 CG MET A 10 58.445 12.200 -11.657 1.00 0.00 C ATOM 123 SD MET A 10 58.147 11.021 -10.308 1.00 0.00 S ATOM 124 CE MET A 10 56.586 10.348 -10.928 1.00 0.00 C ATOM 0 H MET A 10 59.108 10.459 -15.379 1.00 0.00 H new ATOM 0 HA MET A 10 56.970 11.810 -13.804 1.00 0.00 H new ATOM 0 HB2 MET A 10 58.899 10.367 -12.744 1.00 0.00 H new ATOM 0 HB3 MET A 10 59.937 11.713 -13.169 1.00 0.00 H new ATOM 0 HG2 MET A 10 59.204 12.923 -11.358 1.00 0.00 H new ATOM 0 HG3 MET A 10 57.535 12.762 -11.868 1.00 0.00 H new ATOM 0 HE1 MET A 10 56.199 9.615 -10.220 1.00 0.00 H new ATOM 0 HE2 MET A 10 55.863 11.155 -11.046 1.00 0.00 H new ATOM 0 HE3 MET A 10 56.754 9.867 -11.892 1.00 0.00 H new ATOM 134 N VAL A 11 59.499 13.067 -15.519 1.00 0.00 N ATOM 135 CA VAL A 11 60.007 14.257 -16.197 1.00 0.00 C ATOM 136 C VAL A 11 60.225 13.937 -17.673 1.00 0.00 C ATOM 137 O VAL A 11 60.366 12.772 -18.043 1.00 0.00 O ATOM 138 CB VAL A 11 61.344 14.678 -15.563 1.00 0.00 C ATOM 139 CG1 VAL A 11 61.075 15.401 -14.229 1.00 0.00 C ATOM 140 CG2 VAL A 11 62.229 13.426 -15.319 1.00 0.00 C ATOM 0 H VAL A 11 60.056 12.227 -15.678 1.00 0.00 H new ATOM 0 HA VAL A 11 59.288 15.070 -16.098 1.00 0.00 H new ATOM 0 HB VAL A 11 61.868 15.354 -16.239 1.00 0.00 H new ATOM 0 HG11 VAL A 11 62.022 15.699 -13.779 1.00 0.00 H new ATOM 0 HG12 VAL A 11 60.465 16.286 -14.411 1.00 0.00 H new ATOM 0 HG13 VAL A 11 60.547 14.730 -13.551 1.00 0.00 H new ATOM 0 HG21 VAL A 11 63.174 13.731 -14.870 1.00 0.00 H new ATOM 0 HG22 VAL A 11 61.712 12.741 -14.647 1.00 0.00 H new ATOM 0 HG23 VAL A 11 62.423 12.927 -16.268 1.00 0.00 H new ATOM 150 N LYS A 12 60.255 14.968 -18.521 1.00 0.00 N ATOM 151 CA LYS A 12 60.460 14.776 -19.963 1.00 0.00 C ATOM 152 C LYS A 12 61.865 15.246 -20.377 1.00 0.00 C ATOM 153 O LYS A 12 62.137 16.445 -20.418 1.00 0.00 O ATOM 154 CB LYS A 12 59.379 15.581 -20.731 1.00 0.00 C ATOM 155 CG LYS A 12 58.700 14.715 -21.809 1.00 0.00 C ATOM 156 CD LYS A 12 57.515 15.473 -22.431 1.00 0.00 C ATOM 157 CE LYS A 12 58.018 16.644 -23.284 1.00 0.00 C ATOM 158 NZ LYS A 12 56.889 17.195 -24.083 1.00 0.00 N1+ ATOM 0 H LYS A 12 60.141 15.941 -18.238 1.00 0.00 H new ATOM 0 HA LYS A 12 60.375 13.716 -20.204 1.00 0.00 H new ATOM 0 HB2 LYS A 12 58.629 15.948 -20.030 1.00 0.00 H new ATOM 0 HB3 LYS A 12 59.835 16.455 -21.197 1.00 0.00 H new ATOM 0 HG2 LYS A 12 59.421 14.454 -22.584 1.00 0.00 H new ATOM 0 HG3 LYS A 12 58.353 13.780 -21.369 1.00 0.00 H new ATOM 0 HD2 LYS A 12 56.924 14.795 -23.046 1.00 0.00 H new ATOM 0 HD3 LYS A 12 56.859 15.844 -21.644 1.00 0.00 H new ATOM 0 HE2 LYS A 12 58.438 17.420 -22.644 1.00 0.00 H new ATOM 0 HE3 LYS A 12 58.817 16.309 -23.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 57.229 17.989 -24.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 56.508 16.452 -24.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 56.141 17.529 -23.442 1.00 0.00 H new ATOM 172 N LEU A 13 62.734 14.296 -20.731 1.00 0.00 N ATOM 173 CA LEU A 13 64.086 14.619 -21.200 1.00 0.00 C ATOM 174 C LEU A 13 64.290 13.953 -22.560 1.00 0.00 C ATOM 175 O LEU A 13 64.224 12.731 -22.661 1.00 0.00 O ATOM 176 CB LEU A 13 65.145 14.115 -20.193 1.00 0.00 C ATOM 177 CG LEU A 13 64.551 14.119 -18.766 1.00 0.00 C ATOM 178 CD1 LEU A 13 63.628 12.888 -18.544 1.00 0.00 C ATOM 179 CD2 LEU A 13 65.696 14.119 -17.728 1.00 0.00 C ATOM 0 H LEU A 13 62.527 13.298 -20.702 1.00 0.00 H new ATOM 0 HA LEU A 13 64.199 15.699 -21.289 1.00 0.00 H new ATOM 0 HB2 LEU A 13 65.465 13.108 -20.461 1.00 0.00 H new ATOM 0 HB3 LEU A 13 66.029 14.752 -20.231 1.00 0.00 H new ATOM 0 HG LEU A 13 63.949 15.019 -18.643 1.00 0.00 H new ATOM 0 HD11 LEU A 13 63.223 12.915 -17.532 1.00 0.00 H new ATOM 0 HD12 LEU A 13 62.809 12.913 -19.263 1.00 0.00 H new ATOM 0 HD13 LEU A 13 64.204 11.972 -18.680 1.00 0.00 H new ATOM 0 HD21 LEU A 13 65.275 14.122 -16.722 1.00 0.00 H new ATOM 0 HD22 LEU A 13 66.309 13.228 -17.862 1.00 0.00 H new ATOM 0 HD23 LEU A 13 66.312 15.007 -17.866 1.00 0.00 H new ATOM 191 N VAL A 14 64.506 14.757 -23.612 1.00 0.00 N ATOM 192 CA VAL A 14 64.672 14.207 -24.971 1.00 0.00 C ATOM 193 C VAL A 14 66.056 14.528 -25.529 1.00 0.00 C ATOM 194 O VAL A 14 66.739 15.441 -25.066 1.00 0.00 O ATOM 195 CB VAL A 14 63.594 14.764 -25.931 1.00 0.00 C ATOM 196 CG1 VAL A 14 63.475 13.875 -27.207 1.00 0.00 C ATOM 197 CG2 VAL A 14 62.235 14.841 -25.211 1.00 0.00 C ATOM 0 H VAL A 14 64.570 15.773 -23.554 1.00 0.00 H new ATOM 0 HA VAL A 14 64.560 13.125 -24.896 1.00 0.00 H new ATOM 0 HB VAL A 14 63.893 15.766 -26.238 1.00 0.00 H new ATOM 0 HG11 VAL A 14 62.711 14.286 -27.867 1.00 0.00 H new ATOM 0 HG12 VAL A 14 64.432 13.856 -27.728 1.00 0.00 H new ATOM 0 HG13 VAL A 14 63.198 12.861 -26.919 1.00 0.00 H new ATOM 0 HG21 VAL A 14 61.483 15.234 -25.895 1.00 0.00 H new ATOM 0 HG22 VAL A 14 61.941 13.844 -24.882 1.00 0.00 H new ATOM 0 HG23 VAL A 14 62.318 15.499 -24.346 1.00 0.00 H new ATOM 207 N CYS A 15 66.459 13.736 -26.518 1.00 0.00 N ATOM 208 CA CYS A 15 67.770 13.897 -27.144 1.00 0.00 C ATOM 209 C CYS A 15 67.749 15.014 -28.212 1.00 0.00 C ATOM 210 O CYS A 15 67.058 14.872 -29.221 1.00 0.00 O ATOM 211 CB CYS A 15 68.182 12.585 -27.810 1.00 0.00 C ATOM 212 SG CYS A 15 68.261 11.276 -26.565 1.00 0.00 S ATOM 0 H CYS A 15 65.898 12.976 -26.904 1.00 0.00 H new ATOM 0 HA CYS A 15 68.483 14.171 -26.367 1.00 0.00 H new ATOM 0 HB2 CYS A 15 67.466 12.319 -28.588 1.00 0.00 H new ATOM 0 HB3 CYS A 15 69.152 12.700 -28.295 1.00 0.00 H new ATOM 217 N PRO A 16 68.483 16.109 -28.045 1.00 0.00 N ATOM 218 CA PRO A 16 68.492 17.198 -29.064 1.00 0.00 C ATOM 219 C PRO A 16 68.605 16.631 -30.481 1.00 0.00 C ATOM 220 O PRO A 16 68.862 15.440 -30.662 1.00 0.00 O ATOM 221 CB PRO A 16 69.716 18.069 -28.715 1.00 0.00 C ATOM 222 CG PRO A 16 70.128 17.699 -27.312 1.00 0.00 C ATOM 223 CD PRO A 16 69.353 16.432 -26.898 1.00 0.00 C ATOM 0 HA PRO A 16 67.567 17.774 -29.046 1.00 0.00 H new ATOM 0 HB2 PRO A 16 70.530 17.890 -29.417 1.00 0.00 H new ATOM 0 HB3 PRO A 16 69.467 19.128 -28.778 1.00 0.00 H new ATOM 0 HG2 PRO A 16 71.202 17.519 -27.267 1.00 0.00 H new ATOM 0 HG3 PRO A 16 69.913 18.517 -26.625 1.00 0.00 H new ATOM 0 HD2 PRO A 16 70.034 15.610 -26.678 1.00 0.00 H new ATOM 0 HD3 PRO A 16 68.765 16.608 -25.997 1.00 0.00 H new ATOM 231 N ALA A 17 68.381 17.482 -31.474 1.00 0.00 N ATOM 232 CA ALA A 17 68.433 17.041 -32.863 1.00 0.00 C ATOM 233 C ALA A 17 69.832 16.579 -33.267 1.00 0.00 C ATOM 234 O ALA A 17 69.986 15.491 -33.822 1.00 0.00 O ATOM 235 CB ALA A 17 67.970 18.168 -33.787 1.00 0.00 C ATOM 0 H ALA A 17 68.164 18.471 -31.347 1.00 0.00 H new ATOM 0 HA ALA A 17 67.764 16.186 -32.960 1.00 0.00 H new ATOM 0 HB1 ALA A 17 68.012 17.830 -34.822 1.00 0.00 H new ATOM 0 HB2 ALA A 17 66.946 18.446 -33.537 1.00 0.00 H new ATOM 0 HB3 ALA A 17 68.622 19.033 -33.661 1.00 0.00 H new ATOM 241 N ASP A 18 70.848 17.416 -33.023 1.00 0.00 N ATOM 242 CA ASP A 18 72.230 17.076 -33.408 1.00 0.00 C ATOM 243 C ASP A 18 73.161 16.944 -32.195 1.00 0.00 C ATOM 244 O ASP A 18 74.373 16.804 -32.355 1.00 0.00 O ATOM 245 CB ASP A 18 72.774 18.135 -34.371 1.00 0.00 C ATOM 246 CG ASP A 18 73.062 19.431 -33.625 1.00 0.00 C ATOM 247 OD1 ASP A 18 72.143 19.962 -33.025 1.00 0.00 O1- ATOM 248 OD2 ASP A 18 74.197 19.874 -33.666 1.00 0.00 O ATOM 0 H ASP A 18 70.746 18.323 -32.567 1.00 0.00 H new ATOM 0 HA ASP A 18 72.201 16.104 -33.899 1.00 0.00 H new ATOM 0 HB2 ASP A 18 73.685 17.771 -34.846 1.00 0.00 H new ATOM 0 HB3 ASP A 18 72.052 18.318 -35.166 1.00 0.00 H new ATOM 253 N ASN A 19 72.588 16.924 -30.995 1.00 0.00 N ATOM 254 CA ASN A 19 73.376 16.729 -29.769 1.00 0.00 C ATOM 255 C ASN A 19 74.344 17.887 -29.469 1.00 0.00 C ATOM 256 O ASN A 19 75.560 17.694 -29.494 1.00 0.00 O ATOM 257 CB ASN A 19 74.181 15.427 -29.874 1.00 0.00 C ATOM 258 CG ASN A 19 73.337 14.328 -30.517 1.00 0.00 C ATOM 259 OD1 ASN A 19 73.764 13.709 -31.493 1.00 0.00 O ATOM 260 ND2 ASN A 19 72.167 14.039 -30.021 1.00 0.00 N ATOM 0 H ASN A 19 71.587 17.039 -30.839 1.00 0.00 H new ATOM 0 HA ASN A 19 72.659 16.687 -28.949 1.00 0.00 H new ATOM 0 HB2 ASN A 19 75.081 15.595 -30.465 1.00 0.00 H new ATOM 0 HB3 ASN A 19 74.505 15.112 -28.882 1.00 0.00 H new ATOM 0 HD21 ASN A 19 71.604 13.300 -30.441 1.00 0.00 H new ATOM 0 HD22 ASN A 19 71.815 14.552 -29.213 1.00 0.00 H new ATOM 267 N LEU A 20 73.810 19.072 -29.124 1.00 0.00 N ATOM 268 CA LEU A 20 74.661 20.223 -28.743 1.00 0.00 C ATOM 269 C LEU A 20 74.494 20.577 -27.255 1.00 0.00 C ATOM 270 O LEU A 20 75.311 21.304 -26.693 1.00 0.00 O ATOM 271 CB LEU A 20 74.347 21.456 -29.608 1.00 0.00 C ATOM 272 CG LEU A 20 75.018 21.317 -30.990 1.00 0.00 C ATOM 273 CD1 LEU A 20 74.415 22.351 -31.958 1.00 0.00 C ATOM 274 CD2 LEU A 20 76.555 21.531 -30.877 1.00 0.00 C ATOM 0 H LEU A 20 72.808 19.261 -29.100 1.00 0.00 H new ATOM 0 HA LEU A 20 75.696 19.926 -28.915 1.00 0.00 H new ATOM 0 HB2 LEU A 20 73.269 21.561 -29.727 1.00 0.00 H new ATOM 0 HB3 LEU A 20 74.703 22.359 -29.111 1.00 0.00 H new ATOM 0 HG LEU A 20 74.838 20.311 -31.370 1.00 0.00 H new ATOM 0 HD11 LEU A 20 74.888 22.254 -32.935 1.00 0.00 H new ATOM 0 HD12 LEU A 20 73.343 22.177 -32.055 1.00 0.00 H new ATOM 0 HD13 LEU A 20 74.586 23.355 -31.570 1.00 0.00 H new ATOM 0 HD21 LEU A 20 77.010 21.429 -31.862 1.00 0.00 H new ATOM 0 HD22 LEU A 20 76.756 22.529 -30.486 1.00 0.00 H new ATOM 0 HD23 LEU A 20 76.978 20.786 -30.203 1.00 0.00 H new ATOM 286 N ARG A 21 73.424 20.084 -26.636 1.00 0.00 N ATOM 287 CA ARG A 21 73.150 20.382 -25.221 1.00 0.00 C ATOM 288 C ARG A 21 73.853 19.380 -24.307 1.00 0.00 C ATOM 289 O ARG A 21 73.969 19.590 -23.098 1.00 0.00 O ATOM 290 CB ARG A 21 71.635 20.324 -24.960 1.00 0.00 C ATOM 291 CG ARG A 21 71.286 21.037 -23.635 1.00 0.00 C ATOM 292 CD ARG A 21 69.936 20.526 -23.088 1.00 0.00 C ATOM 293 NE ARG A 21 69.197 21.619 -22.466 1.00 0.00 N ATOM 294 CZ ARG A 21 67.881 21.542 -22.287 1.00 0.00 C ATOM 295 NH1 ARG A 21 67.244 20.453 -22.624 1.00 0.00 N ATOM 296 NH2 ARG A 21 67.229 22.546 -21.770 1.00 0.00 N1+ ATOM 0 H ARG A 21 72.734 19.480 -27.082 1.00 0.00 H new ATOM 0 HA ARG A 21 73.527 21.382 -25.005 1.00 0.00 H new ATOM 0 HB2 ARG A 21 71.100 20.794 -25.785 1.00 0.00 H new ATOM 0 HB3 ARG A 21 71.307 19.285 -24.918 1.00 0.00 H new ATOM 0 HG2 ARG A 21 72.073 20.861 -22.902 1.00 0.00 H new ATOM 0 HG3 ARG A 21 71.236 22.114 -23.796 1.00 0.00 H new ATOM 0 HD2 ARG A 21 69.348 20.094 -23.898 1.00 0.00 H new ATOM 0 HD3 ARG A 21 70.107 19.733 -22.360 1.00 0.00 H new ATOM 0 HE ARG A 21 69.697 22.455 -22.164 1.00 0.00 H new ATOM 0 HH11 ARG A 21 67.755 19.666 -23.023 1.00 0.00 H new ATOM 0 HH12 ARG A 21 66.235 20.390 -22.488 1.00 0.00 H new ATOM 0 HH21 ARG A 21 67.728 23.394 -21.501 1.00 0.00 H new ATOM 0 HH22 ARG A 21 66.220 22.483 -21.634 1.00 0.00 H new ATOM 310 N ALA A 22 74.265 18.262 -24.879 1.00 0.00 N ATOM 311 CA ALA A 22 74.880 17.197 -24.098 1.00 0.00 C ATOM 312 C ALA A 22 73.920 16.771 -22.992 1.00 0.00 C ATOM 313 O ALA A 22 73.905 17.343 -21.900 1.00 0.00 O ATOM 314 CB ALA A 22 76.217 17.645 -23.500 1.00 0.00 C ATOM 0 H ALA A 22 74.186 18.066 -25.877 1.00 0.00 H new ATOM 0 HA ALA A 22 75.083 16.352 -24.756 1.00 0.00 H new ATOM 0 HB1 ALA A 22 76.650 16.828 -22.923 1.00 0.00 H new ATOM 0 HB2 ALA A 22 76.899 17.924 -24.303 1.00 0.00 H new ATOM 0 HB3 ALA A 22 76.055 18.503 -22.848 1.00 0.00 H new ATOM 320 N GLU A 23 73.097 15.781 -23.312 1.00 0.00 N ATOM 321 CA GLU A 23 72.090 15.277 -22.383 1.00 0.00 C ATOM 322 C GLU A 23 72.705 14.289 -21.389 1.00 0.00 C ATOM 323 O GLU A 23 73.723 14.582 -20.764 1.00 0.00 O ATOM 324 CB GLU A 23 70.944 14.610 -23.168 1.00 0.00 C ATOM 325 CG GLU A 23 71.471 13.488 -24.090 1.00 0.00 C ATOM 326 CD GLU A 23 72.301 14.062 -25.230 1.00 0.00 C ATOM 327 OE1 GLU A 23 72.030 15.182 -25.630 1.00 0.00 O ATOM 328 OE2 GLU A 23 73.206 13.379 -25.677 1.00 0.00 O1- ATOM 0 H GLU A 23 73.107 15.307 -24.215 1.00 0.00 H new ATOM 0 HA GLU A 23 71.691 16.117 -21.814 1.00 0.00 H new ATOM 0 HB2 GLU A 23 70.215 14.198 -22.470 1.00 0.00 H new ATOM 0 HB3 GLU A 23 70.425 15.360 -23.765 1.00 0.00 H new ATOM 0 HG2 GLU A 23 72.076 12.791 -23.511 1.00 0.00 H new ATOM 0 HG3 GLU A 23 70.632 12.922 -24.495 1.00 0.00 H new ATOM 335 N GLY A 24 72.082 13.122 -21.246 1.00 0.00 N ATOM 336 CA GLY A 24 72.582 12.102 -20.334 1.00 0.00 C ATOM 337 C GLY A 24 74.023 11.718 -20.672 1.00 0.00 C ATOM 338 O GLY A 24 74.639 10.926 -19.960 1.00 0.00 O ATOM 0 H GLY A 24 71.234 12.862 -21.749 1.00 0.00 H new ATOM 0 HA2 GLY A 24 72.532 12.470 -19.309 1.00 0.00 H new ATOM 0 HA3 GLY A 24 71.945 11.219 -20.387 1.00 0.00 H new ATOM 342 N LEU A 25 74.562 12.305 -21.744 1.00 0.00 N ATOM 343 CA LEU A 25 75.948 12.042 -22.158 1.00 0.00 C ATOM 344 C LEU A 25 76.038 10.788 -23.047 1.00 0.00 C ATOM 345 O LEU A 25 75.069 10.044 -23.195 1.00 0.00 O ATOM 346 CB LEU A 25 76.859 11.886 -20.915 1.00 0.00 C ATOM 347 CG LEU A 25 78.290 12.406 -21.212 1.00 0.00 C ATOM 348 CD1 LEU A 25 78.357 13.923 -20.990 1.00 0.00 C ATOM 349 CD2 LEU A 25 79.314 11.728 -20.284 1.00 0.00 C ATOM 0 H LEU A 25 74.063 12.964 -22.341 1.00 0.00 H new ATOM 0 HA LEU A 25 76.291 12.894 -22.745 1.00 0.00 H new ATOM 0 HB2 LEU A 25 76.434 12.437 -20.076 1.00 0.00 H new ATOM 0 HB3 LEU A 25 76.902 10.838 -20.619 1.00 0.00 H new ATOM 0 HG LEU A 25 78.526 12.171 -22.250 1.00 0.00 H new ATOM 0 HD11 LEU A 25 79.366 14.277 -21.201 1.00 0.00 H new ATOM 0 HD12 LEU A 25 77.651 14.420 -21.656 1.00 0.00 H new ATOM 0 HD13 LEU A 25 78.102 14.151 -19.955 1.00 0.00 H new ATOM 0 HD21 LEU A 25 80.312 12.105 -20.507 1.00 0.00 H new ATOM 0 HD22 LEU A 25 79.066 11.949 -19.246 1.00 0.00 H new ATOM 0 HD23 LEU A 25 79.290 10.650 -20.442 1.00 0.00 H new ATOM 361 N GLU A 26 77.213 10.585 -23.648 1.00 0.00 N ATOM 362 CA GLU A 26 77.441 9.442 -24.531 1.00 0.00 C ATOM 363 C GLU A 26 77.350 8.127 -23.749 1.00 0.00 C ATOM 364 O GLU A 26 76.761 7.156 -24.226 1.00 0.00 O ATOM 365 CB GLU A 26 78.827 9.599 -25.226 1.00 0.00 C ATOM 366 CG GLU A 26 79.544 8.246 -25.400 1.00 0.00 C ATOM 367 CD GLU A 26 80.731 8.392 -26.350 1.00 0.00 C ATOM 368 OE1 GLU A 26 81.387 9.419 -26.295 1.00 0.00 O ATOM 369 OE2 GLU A 26 80.968 7.470 -27.114 1.00 0.00 O1- ATOM 0 H GLU A 26 78.021 11.198 -23.538 1.00 0.00 H new ATOM 0 HA GLU A 26 76.667 9.414 -25.298 1.00 0.00 H new ATOM 0 HB2 GLU A 26 78.692 10.066 -26.202 1.00 0.00 H new ATOM 0 HB3 GLU A 26 79.454 10.268 -24.637 1.00 0.00 H new ATOM 0 HG2 GLU A 26 79.887 7.882 -24.432 1.00 0.00 H new ATOM 0 HG3 GLU A 26 78.846 7.505 -25.790 1.00 0.00 H new ATOM 376 N CYS A 27 77.949 8.094 -22.559 1.00 0.00 N ATOM 377 CA CYS A 27 77.948 6.884 -21.728 1.00 0.00 C ATOM 378 C CYS A 27 77.198 7.116 -20.413 1.00 0.00 C ATOM 379 O CYS A 27 77.463 8.079 -19.691 1.00 0.00 O ATOM 380 CB CYS A 27 79.411 6.457 -21.457 1.00 0.00 C ATOM 381 SG CYS A 27 79.726 4.819 -22.166 1.00 0.00 S ATOM 0 H CYS A 27 78.441 8.887 -22.147 1.00 0.00 H new ATOM 0 HA CYS A 27 77.429 6.087 -22.260 1.00 0.00 H new ATOM 0 HB2 CYS A 27 80.096 7.186 -21.889 1.00 0.00 H new ATOM 0 HB3 CYS A 27 79.600 6.439 -20.384 1.00 0.00 H new ATOM 386 N THR A 28 76.289 6.197 -20.097 1.00 0.00 N ATOM 387 CA THR A 28 75.525 6.276 -18.857 1.00 0.00 C ATOM 388 C THR A 28 76.455 6.072 -17.673 1.00 0.00 C ATOM 389 O THR A 28 77.658 5.867 -17.853 1.00 0.00 O ATOM 390 CB THR A 28 74.426 5.199 -18.850 1.00 0.00 C ATOM 391 OG1 THR A 28 73.488 5.500 -17.826 1.00 0.00 O ATOM 392 CG2 THR A 28 75.032 3.805 -18.591 1.00 0.00 C ATOM 0 H THR A 28 76.065 5.392 -20.681 1.00 0.00 H new ATOM 0 HA THR A 28 75.059 7.258 -18.784 1.00 0.00 H new ATOM 0 HB THR A 28 73.934 5.191 -19.823 1.00 0.00 H new ATOM 0 HG1 THR A 28 72.993 4.689 -17.587 1.00 0.00 H new ATOM 0 HG21 THR A 28 74.238 3.058 -18.590 1.00 0.00 H new ATOM 0 HG22 THR A 28 75.751 3.569 -19.375 1.00 0.00 H new ATOM 0 HG23 THR A 28 75.535 3.801 -17.624 1.00 0.00 H new ATOM 400 N LYS A 29 75.915 6.152 -16.459 1.00 0.00 N ATOM 401 CA LYS A 29 76.728 5.994 -15.256 1.00 0.00 C ATOM 402 C LYS A 29 75.994 5.091 -14.253 1.00 0.00 C ATOM 403 O LYS A 29 75.178 5.554 -13.458 1.00 0.00 O ATOM 404 CB LYS A 29 76.992 7.397 -14.659 1.00 0.00 C ATOM 405 CG LYS A 29 78.449 7.540 -14.196 1.00 0.00 C ATOM 406 CD LYS A 29 78.737 9.010 -13.766 1.00 0.00 C ATOM 407 CE LYS A 29 79.901 9.589 -14.580 1.00 0.00 C ATOM 408 NZ LYS A 29 81.073 8.676 -14.490 1.00 0.00 N1+ ATOM 0 H LYS A 29 74.925 6.324 -16.283 1.00 0.00 H new ATOM 0 HA LYS A 29 77.682 5.523 -15.493 1.00 0.00 H new ATOM 0 HB2 LYS A 29 76.768 8.160 -15.405 1.00 0.00 H new ATOM 0 HB3 LYS A 29 76.322 7.568 -13.817 1.00 0.00 H new ATOM 0 HG2 LYS A 29 78.641 6.865 -13.362 1.00 0.00 H new ATOM 0 HG3 LYS A 29 79.124 7.250 -15.001 1.00 0.00 H new ATOM 0 HD2 LYS A 29 77.845 9.619 -13.912 1.00 0.00 H new ATOM 0 HD3 LYS A 29 78.976 9.044 -12.703 1.00 0.00 H new ATOM 0 HE2 LYS A 29 79.604 9.714 -15.621 1.00 0.00 H new ATOM 0 HE3 LYS A 29 80.166 10.577 -14.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 81.949 9.237 -14.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 81.003 8.106 -13.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 81.087 8.047 -15.318 1.00 0.00 H new ATOM 422 N THR A 30 76.329 3.804 -14.291 1.00 0.00 N ATOM 423 CA THR A 30 75.745 2.818 -13.376 1.00 0.00 C ATOM 424 C THR A 30 76.753 2.471 -12.284 1.00 0.00 C ATOM 425 O THR A 30 77.894 2.921 -12.328 1.00 0.00 O ATOM 426 CB THR A 30 75.358 1.547 -14.143 1.00 0.00 C ATOM 427 OG1 THR A 30 76.441 1.155 -14.964 1.00 0.00 O ATOM 428 CG2 THR A 30 74.115 1.797 -15.022 1.00 0.00 C ATOM 0 H THR A 30 77.005 3.415 -14.948 1.00 0.00 H new ATOM 0 HA THR A 30 74.850 3.244 -12.923 1.00 0.00 H new ATOM 0 HB THR A 30 75.124 0.760 -13.426 1.00 0.00 H new ATOM 0 HG1 THR A 30 76.116 0.562 -15.673 1.00 0.00 H new ATOM 0 HG21 THR A 30 73.858 0.883 -15.557 1.00 0.00 H new ATOM 0 HG22 THR A 30 73.278 2.096 -14.391 1.00 0.00 H new ATOM 0 HG23 THR A 30 74.330 2.589 -15.739 1.00 0.00 H new ATOM 436 N CYS A 31 76.328 1.681 -11.302 1.00 0.00 N ATOM 437 CA CYS A 31 77.214 1.299 -10.200 1.00 0.00 C ATOM 438 C CYS A 31 78.462 0.571 -10.712 1.00 0.00 C ATOM 439 O CYS A 31 79.532 0.707 -10.121 1.00 0.00 O ATOM 440 CB CYS A 31 76.449 0.400 -9.215 1.00 0.00 C ATOM 441 SG CYS A 31 77.269 0.423 -7.594 1.00 0.00 S ATOM 0 H CYS A 31 75.386 1.295 -11.244 1.00 0.00 H new ATOM 0 HA CYS A 31 77.542 2.207 -9.693 1.00 0.00 H new ATOM 0 HB2 CYS A 31 75.420 0.746 -9.117 1.00 0.00 H new ATOM 0 HB3 CYS A 31 76.407 -0.620 -9.597 1.00 0.00 H new ATOM 446 N GLN A 32 78.325 -0.264 -11.752 1.00 0.00 N ATOM 447 CA GLN A 32 79.474 -1.064 -12.232 1.00 0.00 C ATOM 448 C GLN A 32 80.233 -0.368 -13.381 1.00 0.00 C ATOM 449 O GLN A 32 81.434 -0.119 -13.273 1.00 0.00 O ATOM 450 CB GLN A 32 78.972 -2.467 -12.670 1.00 0.00 C ATOM 451 CG GLN A 32 79.722 -3.597 -11.943 1.00 0.00 C ATOM 452 CD GLN A 32 81.113 -3.774 -12.543 1.00 0.00 C ATOM 453 OE1 GLN A 32 81.266 -3.778 -13.765 1.00 0.00 O ATOM 454 NE2 GLN A 32 82.139 -3.940 -11.755 1.00 0.00 N ATOM 0 H GLN A 32 77.457 -0.405 -12.269 1.00 0.00 H new ATOM 0 HA GLN A 32 80.184 -1.167 -11.411 1.00 0.00 H new ATOM 0 HB2 GLN A 32 77.904 -2.550 -12.467 1.00 0.00 H new ATOM 0 HB3 GLN A 32 79.101 -2.579 -13.746 1.00 0.00 H new ATOM 0 HG2 GLN A 32 79.802 -3.366 -10.881 1.00 0.00 H new ATOM 0 HG3 GLN A 32 79.161 -4.528 -12.025 1.00 0.00 H new ATOM 0 HE21 GLN A 32 82.011 -3.936 -10.743 1.00 0.00 H new ATOM 0 HE22 GLN A 32 83.070 -4.073 -12.151 1.00 0.00 H new ATOM 463 N ASN A 33 79.527 -0.033 -14.456 1.00 0.00 N ATOM 464 CA ASN A 33 80.150 0.660 -15.592 1.00 0.00 C ATOM 465 C ASN A 33 80.781 1.949 -15.112 1.00 0.00 C ATOM 466 O ASN A 33 81.529 2.583 -15.854 1.00 0.00 O ATOM 467 CB ASN A 33 79.082 0.896 -16.703 1.00 0.00 C ATOM 468 CG ASN A 33 78.892 2.386 -17.025 1.00 0.00 C ATOM 469 OD1 ASN A 33 78.107 3.070 -16.365 1.00 0.00 O ATOM 470 ND2 ASN A 33 79.566 2.930 -18.003 1.00 0.00 N ATOM 0 H ASN A 33 78.532 -0.225 -14.570 1.00 0.00 H new ATOM 0 HA ASN A 33 80.943 0.051 -16.025 1.00 0.00 H new ATOM 0 HB2 ASN A 33 79.380 0.367 -17.608 1.00 0.00 H new ATOM 0 HB3 ASN A 33 78.130 0.472 -16.384 1.00 0.00 H new ATOM 0 HD21 ASN A 33 79.442 3.919 -18.219 1.00 0.00 H new ATOM 0 HD22 ASN A 33 80.216 2.366 -18.550 1.00 0.00 H new ATOM 477 N TYR A 34 80.525 2.316 -13.854 1.00 0.00 N ATOM 478 CA TYR A 34 81.146 3.505 -13.298 1.00 0.00 C ATOM 479 C TYR A 34 82.610 3.493 -13.701 1.00 0.00 C ATOM 480 O TYR A 34 83.171 4.510 -14.114 1.00 0.00 O ATOM 481 CB TYR A 34 81.037 3.501 -11.773 1.00 0.00 C ATOM 482 CG TYR A 34 81.417 4.855 -11.232 1.00 0.00 C ATOM 483 CD1 TYR A 34 80.463 5.876 -11.196 1.00 0.00 C ATOM 484 CD2 TYR A 34 82.715 5.091 -10.764 1.00 0.00 C ATOM 485 CE1 TYR A 34 80.803 7.135 -10.692 1.00 0.00 C ATOM 486 CE2 TYR A 34 83.058 6.353 -10.260 1.00 0.00 C ATOM 487 CZ TYR A 34 82.100 7.375 -10.224 1.00 0.00 C ATOM 488 OH TYR A 34 82.436 8.617 -9.724 1.00 0.00 O ATOM 0 H TYR A 34 79.905 1.815 -13.218 1.00 0.00 H new ATOM 0 HA TYR A 34 80.645 4.397 -13.674 1.00 0.00 H new ATOM 0 HB2 TYR A 34 80.019 3.251 -11.472 1.00 0.00 H new ATOM 0 HB3 TYR A 34 81.690 2.735 -11.354 1.00 0.00 H new ATOM 0 HD1 TYR A 34 79.462 5.692 -11.558 1.00 0.00 H new ATOM 0 HD2 TYR A 34 83.451 4.301 -10.791 1.00 0.00 H new ATOM 0 HE1 TYR A 34 80.065 7.923 -10.664 1.00 0.00 H new ATOM 0 HE2 TYR A 34 84.059 6.538 -9.900 1.00 0.00 H new ATOM 0 HH TYR A 34 83.374 8.613 -9.441 1.00 0.00 H new ATOM 498 N ASP A 35 83.195 2.288 -13.664 1.00 0.00 N ATOM 499 CA ASP A 35 84.563 2.077 -14.106 1.00 0.00 C ATOM 500 C ASP A 35 84.584 1.208 -15.372 1.00 0.00 C ATOM 501 O ASP A 35 85.636 1.064 -15.996 1.00 0.00 O ATOM 502 CB ASP A 35 85.370 1.387 -13.000 1.00 0.00 C ATOM 503 CG ASP A 35 84.900 -0.055 -12.826 1.00 0.00 C ATOM 504 OD1 ASP A 35 85.124 -0.841 -13.732 1.00 0.00 O ATOM 505 OD2 ASP A 35 84.321 -0.347 -11.794 1.00 0.00 O1- ATOM 0 H ASP A 35 82.730 1.444 -13.328 1.00 0.00 H new ATOM 0 HA ASP A 35 85.010 3.046 -14.330 1.00 0.00 H new ATOM 0 HB2 ASP A 35 86.431 1.404 -13.249 1.00 0.00 H new ATOM 0 HB3 ASP A 35 85.254 1.931 -12.062 1.00 0.00 H new ATOM 510 N LEU A 36 83.407 0.678 -15.803 1.00 0.00 N ATOM 511 CA LEU A 36 83.341 -0.106 -17.055 1.00 0.00 C ATOM 512 C LEU A 36 82.672 0.741 -18.137 1.00 0.00 C ATOM 513 O LEU A 36 81.497 1.075 -18.049 1.00 0.00 O ATOM 514 CB LEU A 36 82.632 -1.490 -16.871 1.00 0.00 C ATOM 515 CG LEU A 36 83.415 -2.652 -17.536 1.00 0.00 C ATOM 516 CD1 LEU A 36 83.508 -2.434 -19.059 1.00 0.00 C ATOM 517 CD2 LEU A 36 84.829 -2.823 -16.912 1.00 0.00 C ATOM 0 H LEU A 36 82.518 0.778 -15.314 1.00 0.00 H new ATOM 0 HA LEU A 36 84.358 -0.347 -17.363 1.00 0.00 H new ATOM 0 HB2 LEU A 36 82.516 -1.696 -15.807 1.00 0.00 H new ATOM 0 HB3 LEU A 36 81.630 -1.441 -17.297 1.00 0.00 H new ATOM 0 HG LEU A 36 82.866 -3.575 -17.349 1.00 0.00 H new ATOM 0 HD11 LEU A 36 84.060 -3.258 -19.511 1.00 0.00 H new ATOM 0 HD12 LEU A 36 82.505 -2.394 -19.483 1.00 0.00 H new ATOM 0 HD13 LEU A 36 84.025 -1.496 -19.261 1.00 0.00 H new ATOM 0 HD21 LEU A 36 85.347 -3.646 -17.404 1.00 0.00 H new ATOM 0 HD22 LEU A 36 85.399 -1.904 -17.046 1.00 0.00 H new ATOM 0 HD23 LEU A 36 84.733 -3.039 -15.848 1.00 0.00 H new ATOM 529 N GLU A 37 83.470 1.154 -19.120 1.00 0.00 N ATOM 530 CA GLU A 37 82.986 2.034 -20.177 1.00 0.00 C ATOM 531 C GLU A 37 81.851 1.384 -20.962 1.00 0.00 C ATOM 532 O GLU A 37 81.635 0.176 -20.882 1.00 0.00 O ATOM 533 CB GLU A 37 84.157 2.439 -21.104 1.00 0.00 C ATOM 534 CG GLU A 37 84.399 1.402 -22.216 1.00 0.00 C ATOM 535 CD GLU A 37 84.662 0.021 -21.622 1.00 0.00 C ATOM 536 OE1 GLU A 37 85.144 -0.041 -20.506 1.00 0.00 O ATOM 537 OE2 GLU A 37 84.382 -0.955 -22.301 1.00 0.00 O1- ATOM 0 H GLU A 37 84.452 0.893 -19.205 1.00 0.00 H new ATOM 0 HA GLU A 37 82.581 2.937 -19.720 1.00 0.00 H new ATOM 0 HB2 GLU A 37 83.945 3.409 -21.553 1.00 0.00 H new ATOM 0 HB3 GLU A 37 85.065 2.554 -20.512 1.00 0.00 H new ATOM 0 HG2 GLU A 37 83.532 1.360 -22.875 1.00 0.00 H new ATOM 0 HG3 GLU A 37 85.249 1.708 -22.826 1.00 0.00 H new ATOM 544 N CYS A 38 81.130 2.207 -21.719 1.00 0.00 N ATOM 545 CA CYS A 38 80.015 1.731 -22.532 1.00 0.00 C ATOM 546 C CYS A 38 80.038 2.433 -23.883 1.00 0.00 C ATOM 547 O CYS A 38 80.838 3.341 -24.111 1.00 0.00 O ATOM 548 CB CYS A 38 78.682 1.999 -21.814 1.00 0.00 C ATOM 549 SG CYS A 38 78.790 3.556 -20.900 1.00 0.00 S ATOM 0 H CYS A 38 81.299 3.211 -21.786 1.00 0.00 H new ATOM 0 HA CYS A 38 80.113 0.656 -22.685 1.00 0.00 H new ATOM 0 HB2 CYS A 38 77.870 2.047 -22.539 1.00 0.00 H new ATOM 0 HB3 CYS A 38 78.453 1.180 -21.132 1.00 0.00 H new ATOM 554 N MET A 39 79.170 1.996 -24.788 1.00 0.00 N ATOM 555 CA MET A 39 79.105 2.586 -26.121 1.00 0.00 C ATOM 556 C MET A 39 78.111 3.744 -26.149 1.00 0.00 C ATOM 557 O MET A 39 78.404 4.818 -25.628 1.00 0.00 O ATOM 558 CB MET A 39 78.718 1.509 -27.145 1.00 0.00 C ATOM 559 CG MET A 39 79.767 0.347 -27.204 1.00 0.00 C ATOM 560 SD MET A 39 81.252 0.699 -26.205 1.00 0.00 S ATOM 561 CE MET A 39 81.732 -1.006 -25.810 1.00 0.00 C ATOM 0 H MET A 39 78.505 1.240 -24.625 1.00 0.00 H new ATOM 0 HA MET A 39 80.086 2.983 -26.382 1.00 0.00 H new ATOM 0 HB2 MET A 39 77.740 1.101 -26.889 1.00 0.00 H new ATOM 0 HB3 MET A 39 78.626 1.964 -28.131 1.00 0.00 H new ATOM 0 HG2 MET A 39 79.305 -0.574 -26.850 1.00 0.00 H new ATOM 0 HG3 MET A 39 80.061 0.179 -28.240 1.00 0.00 H new ATOM 0 HE1 MET A 39 82.633 -0.997 -25.196 1.00 0.00 H new ATOM 0 HE2 MET A 39 80.925 -1.494 -25.264 1.00 0.00 H new ATOM 0 HE3 MET A 39 81.927 -1.552 -26.733 1.00 0.00 H new ATOM 571 N SER A 40 76.934 3.524 -26.743 1.00 0.00 N ATOM 572 CA SER A 40 75.914 4.573 -26.834 1.00 0.00 C ATOM 573 C SER A 40 74.717 4.064 -27.651 1.00 0.00 C ATOM 574 O SER A 40 74.297 2.921 -27.475 1.00 0.00 O ATOM 575 CB SER A 40 76.523 5.833 -27.473 1.00 0.00 C ATOM 576 OG SER A 40 75.499 6.728 -27.882 1.00 0.00 O ATOM 0 H SER A 40 76.665 2.635 -27.165 1.00 0.00 H new ATOM 0 HA SER A 40 75.562 4.830 -25.835 1.00 0.00 H new ATOM 0 HB2 SER A 40 77.182 6.327 -26.760 1.00 0.00 H new ATOM 0 HB3 SER A 40 77.134 5.554 -28.331 1.00 0.00 H new ATOM 0 HG SER A 40 74.789 6.743 -27.207 1.00 0.00 H new ATOM 582 N MET A 41 74.168 4.898 -28.538 1.00 0.00 N ATOM 583 CA MET A 41 73.022 4.489 -29.347 1.00 0.00 C ATOM 584 C MET A 41 71.932 3.888 -28.462 1.00 0.00 C ATOM 585 O MET A 41 72.039 2.744 -28.019 1.00 0.00 O ATOM 586 CB MET A 41 73.473 3.452 -30.382 1.00 0.00 C ATOM 587 CG MET A 41 72.288 3.006 -31.277 1.00 0.00 C ATOM 588 SD MET A 41 72.261 1.197 -31.410 1.00 0.00 S ATOM 589 CE MET A 41 70.976 1.060 -32.680 1.00 0.00 C ATOM 0 H MET A 41 74.495 5.848 -28.712 1.00 0.00 H new ATOM 0 HA MET A 41 72.618 5.365 -29.855 1.00 0.00 H new ATOM 0 HB2 MET A 41 74.264 3.873 -31.003 1.00 0.00 H new ATOM 0 HB3 MET A 41 73.895 2.585 -29.873 1.00 0.00 H new ATOM 0 HG2 MET A 41 71.348 3.362 -30.855 1.00 0.00 H new ATOM 0 HG3 MET A 41 72.382 3.451 -32.268 1.00 0.00 H new ATOM 0 HE1 MET A 41 70.804 0.009 -32.911 1.00 0.00 H new ATOM 0 HE2 MET A 41 70.052 1.507 -32.313 1.00 0.00 H new ATOM 0 HE3 MET A 41 71.298 1.582 -33.581 1.00 0.00 H new ATOM 599 N GLY A 42 70.859 4.646 -28.239 1.00 0.00 N ATOM 600 CA GLY A 42 69.737 4.158 -27.437 1.00 0.00 C ATOM 601 C GLY A 42 69.292 5.202 -26.425 1.00 0.00 C ATOM 602 O GLY A 42 68.912 4.867 -25.303 1.00 0.00 O ATOM 0 H GLY A 42 70.743 5.593 -28.599 1.00 0.00 H new ATOM 0 HA2 GLY A 42 68.903 3.902 -28.091 1.00 0.00 H new ATOM 0 HA3 GLY A 42 70.027 3.245 -26.918 1.00 0.00 H new ATOM 606 N CYS A 43 69.312 6.472 -26.828 1.00 0.00 N ATOM 607 CA CYS A 43 68.868 7.552 -25.952 1.00 0.00 C ATOM 608 C CYS A 43 67.432 7.928 -26.319 1.00 0.00 C ATOM 609 O CYS A 43 67.152 8.427 -27.410 1.00 0.00 O ATOM 610 CB CYS A 43 69.833 8.751 -26.063 1.00 0.00 C ATOM 611 SG CYS A 43 69.375 9.835 -27.439 1.00 0.00 S ATOM 0 H CYS A 43 69.629 6.775 -27.749 1.00 0.00 H new ATOM 0 HA CYS A 43 68.879 7.229 -24.911 1.00 0.00 H new ATOM 0 HB2 CYS A 43 69.822 9.317 -25.132 1.00 0.00 H new ATOM 0 HB3 CYS A 43 70.852 8.390 -26.205 1.00 0.00 H new ATOM 616 N VAL A 44 66.508 7.616 -25.412 1.00 0.00 N ATOM 617 CA VAL A 44 65.079 7.862 -25.638 1.00 0.00 C ATOM 618 C VAL A 44 64.478 8.565 -24.430 1.00 0.00 C ATOM 619 O VAL A 44 64.996 8.458 -23.317 1.00 0.00 O ATOM 620 CB VAL A 44 64.324 6.532 -25.855 1.00 0.00 C ATOM 621 CG1 VAL A 44 62.865 6.825 -26.276 1.00 0.00 C ATOM 622 CG2 VAL A 44 65.029 5.654 -26.936 1.00 0.00 C ATOM 0 H VAL A 44 66.721 7.191 -24.510 1.00 0.00 H new ATOM 0 HA VAL A 44 64.980 8.485 -26.527 1.00 0.00 H new ATOM 0 HB VAL A 44 64.327 5.977 -24.917 1.00 0.00 H new ATOM 0 HG11 VAL A 44 62.335 5.885 -26.428 1.00 0.00 H new ATOM 0 HG12 VAL A 44 62.369 7.399 -25.493 1.00 0.00 H new ATOM 0 HG13 VAL A 44 62.862 7.398 -27.203 1.00 0.00 H new ATOM 0 HG21 VAL A 44 64.475 4.724 -27.067 1.00 0.00 H new ATOM 0 HG22 VAL A 44 65.059 6.195 -27.882 1.00 0.00 H new ATOM 0 HG23 VAL A 44 66.046 5.428 -26.615 1.00 0.00 H new ATOM 632 N SER A 45 63.364 9.252 -24.645 1.00 0.00 N ATOM 633 CA SER A 45 62.694 9.937 -23.551 1.00 0.00 C ATOM 634 C SER A 45 62.164 8.915 -22.550 1.00 0.00 C ATOM 635 O SER A 45 61.884 7.772 -22.912 1.00 0.00 O ATOM 636 CB SER A 45 61.540 10.783 -24.086 1.00 0.00 C ATOM 637 OG SER A 45 60.481 9.928 -24.494 1.00 0.00 O ATOM 0 H SER A 45 62.911 9.349 -25.554 1.00 0.00 H new ATOM 0 HA SER A 45 63.410 10.591 -23.053 1.00 0.00 H new ATOM 0 HB2 SER A 45 61.191 11.471 -23.316 1.00 0.00 H new ATOM 0 HB3 SER A 45 61.878 11.389 -24.926 1.00 0.00 H new ATOM 0 HG SER A 45 59.738 10.468 -24.836 1.00 0.00 H new ATOM 643 N GLY A 46 62.051 9.319 -21.288 1.00 0.00 N ATOM 644 CA GLY A 46 61.579 8.410 -20.249 1.00 0.00 C ATOM 645 C GLY A 46 62.017 8.885 -18.865 1.00 0.00 C ATOM 646 O GLY A 46 62.544 9.987 -18.714 1.00 0.00 O ATOM 0 H GLY A 46 62.277 10.259 -20.963 1.00 0.00 H new ATOM 0 HA2 GLY A 46 60.492 8.342 -20.287 1.00 0.00 H new ATOM 0 HA3 GLY A 46 61.967 7.408 -20.433 1.00 0.00 H new ATOM 650 N CYS A 47 61.773 8.053 -17.854 1.00 0.00 N ATOM 651 CA CYS A 47 62.121 8.393 -16.475 1.00 0.00 C ATOM 652 C CYS A 47 63.565 7.997 -16.154 1.00 0.00 C ATOM 653 O CYS A 47 63.985 6.871 -16.418 1.00 0.00 O ATOM 654 CB CYS A 47 61.172 7.661 -15.513 1.00 0.00 C ATOM 655 SG CYS A 47 60.810 6.013 -16.174 1.00 0.00 S ATOM 0 H CYS A 47 61.335 7.138 -17.964 1.00 0.00 H new ATOM 0 HA CYS A 47 62.023 9.472 -16.355 1.00 0.00 H new ATOM 0 HB2 CYS A 47 61.628 7.578 -14.526 1.00 0.00 H new ATOM 0 HB3 CYS A 47 60.249 8.228 -15.392 1.00 0.00 H new ATOM 660 N LEU A 48 64.303 8.923 -15.540 1.00 0.00 N ATOM 661 CA LEU A 48 65.684 8.661 -15.131 1.00 0.00 C ATOM 662 C LEU A 48 65.898 9.258 -13.735 1.00 0.00 C ATOM 663 O LEU A 48 65.632 10.439 -13.511 1.00 0.00 O ATOM 664 CB LEU A 48 66.661 9.283 -16.167 1.00 0.00 C ATOM 665 CG LEU A 48 67.816 8.307 -16.508 1.00 0.00 C ATOM 666 CD1 LEU A 48 68.593 8.815 -17.754 1.00 0.00 C ATOM 667 CD2 LEU A 48 68.771 8.153 -15.295 1.00 0.00 C ATOM 0 H LEU A 48 63.968 9.860 -15.315 1.00 0.00 H new ATOM 0 HA LEU A 48 65.878 7.589 -15.092 1.00 0.00 H new ATOM 0 HB2 LEU A 48 66.117 9.537 -17.076 1.00 0.00 H new ATOM 0 HB3 LEU A 48 67.072 10.212 -15.771 1.00 0.00 H new ATOM 0 HG LEU A 48 67.393 7.329 -16.736 1.00 0.00 H new ATOM 0 HD11 LEU A 48 69.402 8.122 -17.985 1.00 0.00 H new ATOM 0 HD12 LEU A 48 67.915 8.878 -18.605 1.00 0.00 H new ATOM 0 HD13 LEU A 48 69.008 9.802 -17.547 1.00 0.00 H new ATOM 0 HD21 LEU A 48 69.576 7.464 -15.551 1.00 0.00 H new ATOM 0 HD22 LEU A 48 69.192 9.125 -15.038 1.00 0.00 H new ATOM 0 HD23 LEU A 48 68.216 7.761 -14.442 1.00 0.00 H new ATOM 679 N CYS A 49 66.339 8.426 -12.792 1.00 0.00 N ATOM 680 CA CYS A 49 66.538 8.879 -11.418 1.00 0.00 C ATOM 681 C CYS A 49 67.468 10.101 -11.390 1.00 0.00 C ATOM 682 O CYS A 49 68.309 10.261 -12.270 1.00 0.00 O ATOM 683 CB CYS A 49 67.117 7.721 -10.571 1.00 0.00 C ATOM 684 SG CYS A 49 65.882 7.138 -9.375 1.00 0.00 S ATOM 0 H CYS A 49 66.563 7.444 -12.953 1.00 0.00 H new ATOM 0 HA CYS A 49 65.580 9.178 -10.992 1.00 0.00 H new ATOM 0 HB2 CYS A 49 67.419 6.900 -11.222 1.00 0.00 H new ATOM 0 HB3 CYS A 49 68.011 8.057 -10.046 1.00 0.00 H new ATOM 689 N PRO A 50 67.323 10.961 -10.408 1.00 0.00 N ATOM 690 CA PRO A 50 68.168 12.188 -10.300 1.00 0.00 C ATOM 691 C PRO A 50 69.673 11.853 -10.200 1.00 0.00 C ATOM 692 O PRO A 50 70.028 10.755 -9.773 1.00 0.00 O ATOM 693 CB PRO A 50 67.659 12.890 -9.019 1.00 0.00 C ATOM 694 CG PRO A 50 66.855 11.863 -8.273 1.00 0.00 C ATOM 695 CD PRO A 50 66.344 10.864 -9.313 1.00 0.00 C ATOM 0 HA PRO A 50 68.082 12.818 -11.185 1.00 0.00 H new ATOM 0 HB2 PRO A 50 68.492 13.248 -8.414 1.00 0.00 H new ATOM 0 HB3 PRO A 50 67.048 13.758 -9.267 1.00 0.00 H new ATOM 0 HG2 PRO A 50 67.467 11.362 -7.523 1.00 0.00 H new ATOM 0 HG3 PRO A 50 66.024 12.331 -7.745 1.00 0.00 H new ATOM 0 HD2 PRO A 50 66.297 9.853 -8.907 1.00 0.00 H new ATOM 0 HD3 PRO A 50 65.340 11.118 -9.651 1.00 0.00 H new ATOM 703 N PRO A 51 70.565 12.766 -10.561 1.00 0.00 N ATOM 704 CA PRO A 51 72.046 12.522 -10.474 1.00 0.00 C ATOM 705 C PRO A 51 72.546 12.458 -9.021 1.00 0.00 C ATOM 706 O PRO A 51 71.857 12.891 -8.097 1.00 0.00 O ATOM 707 CB PRO A 51 72.683 13.718 -11.228 1.00 0.00 C ATOM 708 CG PRO A 51 71.551 14.411 -11.922 1.00 0.00 C ATOM 709 CD PRO A 51 70.300 14.119 -11.098 1.00 0.00 C ATOM 0 HA PRO A 51 72.315 11.559 -10.907 1.00 0.00 H new ATOM 0 HB2 PRO A 51 73.189 14.392 -10.536 1.00 0.00 H new ATOM 0 HB3 PRO A 51 73.430 13.376 -11.944 1.00 0.00 H new ATOM 0 HG2 PRO A 51 71.733 15.484 -11.986 1.00 0.00 H new ATOM 0 HG3 PRO A 51 71.438 14.045 -12.943 1.00 0.00 H new ATOM 0 HD2 PRO A 51 70.162 14.850 -10.301 1.00 0.00 H new ATOM 0 HD3 PRO A 51 69.399 14.141 -11.711 1.00 0.00 H new ATOM 717 N GLY A 52 73.749 11.905 -8.838 1.00 0.00 N ATOM 718 CA GLY A 52 74.351 11.771 -7.505 1.00 0.00 C ATOM 719 C GLY A 52 74.189 10.344 -6.998 1.00 0.00 C ATOM 720 O GLY A 52 74.957 9.881 -6.151 1.00 0.00 O ATOM 0 H GLY A 52 74.327 11.542 -9.596 1.00 0.00 H new ATOM 0 HA2 GLY A 52 75.408 12.032 -7.547 1.00 0.00 H new ATOM 0 HA3 GLY A 52 73.878 12.467 -6.812 1.00 0.00 H new ATOM 724 N MET A 53 73.213 9.645 -7.555 1.00 0.00 N ATOM 725 CA MET A 53 72.977 8.244 -7.189 1.00 0.00 C ATOM 726 C MET A 53 73.023 7.367 -8.433 1.00 0.00 C ATOM 727 O MET A 53 73.245 7.859 -9.539 1.00 0.00 O ATOM 728 CB MET A 53 71.619 8.089 -6.492 1.00 0.00 C ATOM 729 CG MET A 53 70.511 8.860 -7.254 1.00 0.00 C ATOM 730 SD MET A 53 70.003 10.322 -6.307 1.00 0.00 S ATOM 731 CE MET A 53 69.140 9.457 -4.964 1.00 0.00 C ATOM 0 H MET A 53 72.572 10.014 -8.257 1.00 0.00 H new ATOM 0 HA MET A 53 73.760 7.930 -6.498 1.00 0.00 H new ATOM 0 HB2 MET A 53 71.356 7.033 -6.432 1.00 0.00 H new ATOM 0 HB3 MET A 53 71.687 8.460 -5.469 1.00 0.00 H new ATOM 0 HG2 MET A 53 70.877 9.162 -8.235 1.00 0.00 H new ATOM 0 HG3 MET A 53 69.653 8.209 -7.420 1.00 0.00 H new ATOM 0 HE1 MET A 53 68.358 10.100 -4.560 1.00 0.00 H new ATOM 0 HE2 MET A 53 68.693 8.541 -5.350 1.00 0.00 H new ATOM 0 HE3 MET A 53 69.850 9.210 -4.175 1.00 0.00 H new ATOM 741 N VAL A 54 72.805 6.065 -8.251 1.00 0.00 N ATOM 742 CA VAL A 54 72.822 5.126 -9.377 1.00 0.00 C ATOM 743 C VAL A 54 71.644 4.153 -9.273 1.00 0.00 C ATOM 744 O VAL A 54 71.119 3.912 -8.186 1.00 0.00 O ATOM 745 CB VAL A 54 74.152 4.355 -9.377 1.00 0.00 C ATOM 746 CG1 VAL A 54 75.342 5.325 -9.646 1.00 0.00 C ATOM 747 CG2 VAL A 54 74.332 3.661 -8.016 1.00 0.00 C ATOM 0 H VAL A 54 72.616 5.637 -7.344 1.00 0.00 H new ATOM 0 HA VAL A 54 72.728 5.681 -10.311 1.00 0.00 H new ATOM 0 HB VAL A 54 74.135 3.607 -10.169 1.00 0.00 H new ATOM 0 HG11 VAL A 54 76.277 4.764 -9.643 1.00 0.00 H new ATOM 0 HG12 VAL A 54 75.209 5.803 -10.616 1.00 0.00 H new ATOM 0 HG13 VAL A 54 75.374 6.087 -8.867 1.00 0.00 H new ATOM 0 HG21 VAL A 54 75.274 3.112 -8.009 1.00 0.00 H new ATOM 0 HG22 VAL A 54 74.343 4.410 -7.224 1.00 0.00 H new ATOM 0 HG23 VAL A 54 73.507 2.968 -7.849 1.00 0.00 H new ATOM 757 N ARG A 55 71.232 3.612 -10.418 1.00 0.00 N ATOM 758 CA ARG A 55 70.101 2.679 -10.463 1.00 0.00 C ATOM 759 C ARG A 55 70.505 1.310 -9.913 1.00 0.00 C ATOM 760 O ARG A 55 71.595 0.809 -10.192 1.00 0.00 O ATOM 761 CB ARG A 55 69.602 2.474 -11.923 1.00 0.00 C ATOM 762 CG ARG A 55 70.572 3.125 -12.914 1.00 0.00 C ATOM 763 CD ARG A 55 70.228 2.719 -14.364 1.00 0.00 C ATOM 764 NE ARG A 55 70.229 3.906 -15.217 1.00 0.00 N ATOM 765 CZ ARG A 55 70.540 3.843 -16.511 1.00 0.00 C ATOM 766 NH1 ARG A 55 70.910 2.712 -17.050 1.00 0.00 N ATOM 767 NH2 ARG A 55 70.484 4.923 -17.240 1.00 0.00 N1+ ATOM 0 H ARG A 55 71.660 3.801 -11.324 1.00 0.00 H new ATOM 0 HA ARG A 55 69.307 3.113 -9.855 1.00 0.00 H new ATOM 0 HB2 ARG A 55 69.513 1.409 -12.138 1.00 0.00 H new ATOM 0 HB3 ARG A 55 68.608 2.907 -12.039 1.00 0.00 H new ATOM 0 HG2 ARG A 55 70.527 4.210 -12.815 1.00 0.00 H new ATOM 0 HG3 ARG A 55 71.594 2.825 -12.680 1.00 0.00 H new ATOM 0 HD2 ARG A 55 70.954 1.994 -14.732 1.00 0.00 H new ATOM 0 HD3 ARG A 55 69.251 2.236 -14.396 1.00 0.00 H new ATOM 0 HE ARG A 55 69.985 4.809 -14.810 1.00 0.00 H new ATOM 0 HH11 ARG A 55 70.963 1.868 -16.479 1.00 0.00 H new ATOM 0 HH12 ARG A 55 71.146 2.673 -18.041 1.00 0.00 H new ATOM 0 HH21 ARG A 55 70.203 5.809 -16.819 1.00 0.00 H new ATOM 0 HH22 ARG A 55 70.721 4.882 -18.231 1.00 0.00 H new ATOM 781 N HIS A 56 69.592 0.693 -9.172 1.00 0.00 N ATOM 782 CA HIS A 56 69.818 -0.641 -8.635 1.00 0.00 C ATOM 783 C HIS A 56 68.487 -1.401 -8.566 1.00 0.00 C ATOM 784 O HIS A 56 67.595 -1.053 -7.796 1.00 0.00 O ATOM 785 CB HIS A 56 70.490 -0.524 -7.251 1.00 0.00 C ATOM 786 CG HIS A 56 70.137 -1.699 -6.378 1.00 0.00 C ATOM 787 ND1 HIS A 56 70.885 -2.865 -6.351 1.00 0.00 N ATOM 788 CD2 HIS A 56 69.103 -1.895 -5.500 1.00 0.00 C ATOM 789 CE1 HIS A 56 70.291 -3.704 -5.481 1.00 0.00 C ATOM 790 NE2 HIS A 56 69.200 -3.160 -4.936 1.00 0.00 N ATOM 0 H HIS A 56 68.687 1.097 -8.930 1.00 0.00 H new ATOM 0 HA HIS A 56 70.485 -1.206 -9.286 1.00 0.00 H new ATOM 0 HB2 HIS A 56 71.572 -0.468 -7.372 1.00 0.00 H new ATOM 0 HB3 HIS A 56 70.175 0.401 -6.767 1.00 0.00 H new ATOM 0 HD2 HIS A 56 68.329 -1.174 -5.280 1.00 0.00 H new ATOM 0 HE1 HIS A 56 70.653 -4.696 -5.252 1.00 0.00 H new ATOM 0 HE2 HIS A 56 68.573 -3.583 -4.252 1.00 0.00 H new ATOM 798 N GLU A 57 68.390 -2.456 -9.366 1.00 0.00 N ATOM 799 CA GLU A 57 67.194 -3.295 -9.398 1.00 0.00 C ATOM 800 C GLU A 57 65.914 -2.445 -9.359 1.00 0.00 C ATOM 801 O GLU A 57 64.970 -2.791 -8.658 1.00 0.00 O ATOM 802 CB GLU A 57 67.210 -4.259 -8.208 1.00 0.00 C ATOM 803 CG GLU A 57 68.471 -5.127 -8.267 1.00 0.00 C ATOM 804 CD GLU A 57 68.429 -6.046 -9.485 1.00 0.00 C ATOM 805 OE1 GLU A 57 67.498 -6.828 -9.581 1.00 0.00 O ATOM 806 OE2 GLU A 57 69.327 -5.951 -10.305 1.00 0.00 O1- ATOM 0 H GLU A 57 69.128 -2.753 -10.005 1.00 0.00 H new ATOM 0 HA GLU A 57 67.198 -3.858 -10.331 1.00 0.00 H new ATOM 0 HB2 GLU A 57 67.185 -3.699 -7.273 1.00 0.00 H new ATOM 0 HB3 GLU A 57 66.321 -4.890 -8.226 1.00 0.00 H new ATOM 0 HG2 GLU A 57 69.355 -4.492 -8.313 1.00 0.00 H new ATOM 0 HG3 GLU A 57 68.553 -5.722 -7.357 1.00 0.00 H new ATOM 813 N ASN A 58 65.902 -1.349 -10.134 1.00 0.00 N ATOM 814 CA ASN A 58 64.741 -0.438 -10.239 1.00 0.00 C ATOM 815 C ASN A 58 64.658 0.563 -9.080 1.00 0.00 C ATOM 816 O ASN A 58 63.744 1.388 -9.029 1.00 0.00 O ATOM 817 CB ASN A 58 63.418 -1.232 -10.395 1.00 0.00 C ATOM 818 CG ASN A 58 62.730 -1.591 -9.063 1.00 0.00 C ATOM 819 OD1 ASN A 58 61.635 -2.153 -9.085 1.00 0.00 O ATOM 820 ND2 ASN A 58 63.286 -1.330 -7.909 1.00 0.00 N ATOM 0 H ASN A 58 66.696 -1.065 -10.708 1.00 0.00 H new ATOM 0 HA ASN A 58 64.893 0.153 -11.142 1.00 0.00 H new ATOM 0 HB2 ASN A 58 62.726 -0.647 -11.001 1.00 0.00 H new ATOM 0 HB3 ASN A 58 63.623 -2.151 -10.944 1.00 0.00 H new ATOM 0 HD21 ASN A 58 62.813 -1.592 -7.044 1.00 0.00 H new ATOM 0 HD22 ASN A 58 64.193 -0.865 -7.874 1.00 0.00 H new ATOM 827 N ARG A 59 65.617 0.493 -8.161 1.00 0.00 N ATOM 828 CA ARG A 59 65.663 1.397 -7.002 1.00 0.00 C ATOM 829 C ARG A 59 66.962 2.209 -7.013 1.00 0.00 C ATOM 830 O ARG A 59 68.016 1.695 -7.389 1.00 0.00 O ATOM 831 CB ARG A 59 65.569 0.561 -5.726 1.00 0.00 C ATOM 832 CG ARG A 59 65.866 1.428 -4.506 1.00 0.00 C ATOM 833 CD ARG A 59 65.439 0.685 -3.242 1.00 0.00 C ATOM 834 NE ARG A 59 65.931 -0.688 -3.267 1.00 0.00 N ATOM 835 CZ ARG A 59 65.410 -1.618 -2.471 1.00 0.00 C ATOM 836 NH1 ARG A 59 64.468 -1.299 -1.624 1.00 0.00 N ATOM 837 NH2 ARG A 59 65.839 -2.849 -2.531 1.00 0.00 N1+ ATOM 0 H ARG A 59 66.380 -0.183 -8.192 1.00 0.00 H new ATOM 0 HA ARG A 59 64.828 2.096 -7.046 1.00 0.00 H new ATOM 0 HB2 ARG A 59 64.573 0.127 -5.639 1.00 0.00 H new ATOM 0 HB3 ARG A 59 66.275 -0.268 -5.773 1.00 0.00 H new ATOM 0 HG2 ARG A 59 66.930 1.662 -4.462 1.00 0.00 H new ATOM 0 HG3 ARG A 59 65.334 2.376 -4.581 1.00 0.00 H new ATOM 0 HD2 ARG A 59 65.825 1.200 -2.362 1.00 0.00 H new ATOM 0 HD3 ARG A 59 64.352 0.687 -3.161 1.00 0.00 H new ATOM 0 HE ARG A 59 66.686 -0.939 -3.905 1.00 0.00 H new ATOM 0 HH11 ARG A 59 64.132 -0.337 -1.573 1.00 0.00 H new ATOM 0 HH12 ARG A 59 64.068 -2.012 -1.014 1.00 0.00 H new ATOM 0 HH21 ARG A 59 66.576 -3.101 -3.190 1.00 0.00 H new ATOM 0 HH22 ARG A 59 65.437 -3.559 -1.919 1.00 0.00 H new ATOM 851 N CYS A 60 66.875 3.497 -6.653 1.00 0.00 N ATOM 852 CA CYS A 60 68.046 4.388 -6.695 1.00 0.00 C ATOM 853 C CYS A 60 68.593 4.713 -5.304 1.00 0.00 C ATOM 854 O CYS A 60 67.853 5.099 -4.401 1.00 0.00 O ATOM 855 CB CYS A 60 67.658 5.695 -7.391 1.00 0.00 C ATOM 856 SG CYS A 60 66.574 5.330 -8.793 1.00 0.00 S ATOM 0 H CYS A 60 66.016 3.943 -6.332 1.00 0.00 H new ATOM 0 HA CYS A 60 68.830 3.865 -7.243 1.00 0.00 H new ATOM 0 HB2 CYS A 60 67.152 6.358 -6.689 1.00 0.00 H new ATOM 0 HB3 CYS A 60 68.552 6.216 -7.734 1.00 0.00 H new ATOM 861 N VAL A 61 69.913 4.596 -5.171 1.00 0.00 N ATOM 862 CA VAL A 61 70.598 4.917 -3.921 1.00 0.00 C ATOM 863 C VAL A 61 72.060 5.272 -4.197 1.00 0.00 C ATOM 864 O VAL A 61 72.600 4.957 -5.258 1.00 0.00 O ATOM 865 CB VAL A 61 70.516 3.725 -2.946 1.00 0.00 C ATOM 866 CG1 VAL A 61 69.223 3.794 -2.113 1.00 0.00 C ATOM 867 CG2 VAL A 61 70.504 2.430 -3.763 1.00 0.00 C ATOM 0 H VAL A 61 70.532 4.280 -5.918 1.00 0.00 H new ATOM 0 HA VAL A 61 70.108 5.777 -3.465 1.00 0.00 H new ATOM 0 HB VAL A 61 71.372 3.755 -2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 61 69.184 2.944 -1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 61 69.209 4.721 -1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 61 68.360 3.766 -2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 61 70.446 1.575 -3.089 1.00 0.00 H new ATOM 0 HG22 VAL A 61 69.640 2.427 -4.428 1.00 0.00 H new ATOM 0 HG23 VAL A 61 71.417 2.365 -4.355 1.00 0.00 H new ATOM 877 N ALA A 62 72.697 5.905 -3.220 1.00 0.00 N ATOM 878 CA ALA A 62 74.100 6.279 -3.342 1.00 0.00 C ATOM 879 C ALA A 62 74.992 5.035 -3.325 1.00 0.00 C ATOM 880 O ALA A 62 74.531 3.924 -3.064 1.00 0.00 O ATOM 881 CB ALA A 62 74.484 7.226 -2.199 1.00 0.00 C ATOM 0 H ALA A 62 72.265 6.170 -2.335 1.00 0.00 H new ATOM 0 HA ALA A 62 74.247 6.790 -4.293 1.00 0.00 H new ATOM 0 HB1 ALA A 62 75.534 7.503 -2.294 1.00 0.00 H new ATOM 0 HB2 ALA A 62 73.866 8.123 -2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 62 74.326 6.726 -1.243 1.00 0.00 H new ATOM 887 N LEU A 63 76.253 5.236 -3.699 1.00 0.00 N ATOM 888 CA LEU A 63 77.206 4.130 -3.824 1.00 0.00 C ATOM 889 C LEU A 63 77.259 3.280 -2.549 1.00 0.00 C ATOM 890 O LEU A 63 77.231 2.049 -2.608 1.00 0.00 O ATOM 891 CB LEU A 63 78.624 4.683 -4.117 1.00 0.00 C ATOM 892 CG LEU A 63 78.549 6.069 -4.793 1.00 0.00 C ATOM 893 CD1 LEU A 63 79.982 6.578 -5.088 1.00 0.00 C ATOM 894 CD2 LEU A 63 77.704 6.006 -6.097 1.00 0.00 C ATOM 0 H LEU A 63 76.641 6.153 -3.921 1.00 0.00 H new ATOM 0 HA LEU A 63 76.868 3.500 -4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 63 79.188 4.758 -3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 63 79.163 3.989 -4.762 1.00 0.00 H new ATOM 0 HG LEU A 63 78.056 6.767 -4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 63 79.929 7.557 -5.565 1.00 0.00 H new ATOM 0 HD12 LEU A 63 80.539 6.659 -4.154 1.00 0.00 H new ATOM 0 HD13 LEU A 63 80.488 5.877 -5.752 1.00 0.00 H new ATOM 0 HD21 LEU A 63 77.666 6.995 -6.554 1.00 0.00 H new ATOM 0 HD22 LEU A 63 78.160 5.302 -6.793 1.00 0.00 H new ATOM 0 HD23 LEU A 63 76.692 5.677 -5.859 1.00 0.00 H new ATOM 906 N GLU A 64 77.408 3.944 -1.409 1.00 0.00 N ATOM 907 CA GLU A 64 77.550 3.249 -0.134 1.00 0.00 C ATOM 908 C GLU A 64 76.452 2.198 0.052 1.00 0.00 C ATOM 909 O GLU A 64 76.506 1.403 0.992 1.00 0.00 O ATOM 910 CB GLU A 64 77.546 4.267 1.045 1.00 0.00 C ATOM 911 CG GLU A 64 77.279 5.681 0.519 1.00 0.00 C ATOM 912 CD GLU A 64 77.157 6.661 1.681 1.00 0.00 C ATOM 913 OE1 GLU A 64 77.510 6.287 2.787 1.00 0.00 O ATOM 914 OE2 GLU A 64 76.709 7.772 1.447 1.00 0.00 O1- ATOM 0 H GLU A 64 77.434 4.961 -1.341 1.00 0.00 H new ATOM 0 HA GLU A 64 78.508 2.729 -0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 64 76.782 3.991 1.772 1.00 0.00 H new ATOM 0 HB3 GLU A 64 78.504 4.238 1.564 1.00 0.00 H new ATOM 0 HG2 GLU A 64 78.088 5.989 -0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 64 76.363 5.690 -0.072 1.00 0.00 H new ATOM 921 N ARG A 65 75.440 2.206 -0.823 1.00 0.00 N ATOM 922 CA ARG A 65 74.330 1.252 -0.706 1.00 0.00 C ATOM 923 C ARG A 65 74.504 0.079 -1.682 1.00 0.00 C ATOM 924 O ARG A 65 73.847 -0.954 -1.540 1.00 0.00 O ATOM 925 CB ARG A 65 72.991 1.980 -0.984 1.00 0.00 C ATOM 926 CG ARG A 65 71.931 1.611 0.080 1.00 0.00 C ATOM 927 CD ARG A 65 72.049 2.535 1.322 1.00 0.00 C ATOM 928 NE ARG A 65 73.295 3.311 1.302 1.00 0.00 N ATOM 929 CZ ARG A 65 73.383 4.494 1.914 1.00 0.00 C ATOM 930 NH1 ARG A 65 72.368 4.956 2.591 1.00 0.00 N ATOM 931 NH2 ARG A 65 74.484 5.190 1.841 1.00 0.00 N1+ ATOM 0 H ARG A 65 75.366 2.852 -1.609 1.00 0.00 H new ATOM 0 HA ARG A 65 74.324 0.849 0.307 1.00 0.00 H new ATOM 0 HB2 ARG A 65 73.152 3.058 -0.984 1.00 0.00 H new ATOM 0 HB3 ARG A 65 72.626 1.712 -1.975 1.00 0.00 H new ATOM 0 HG2 ARG A 65 70.933 1.698 -0.350 1.00 0.00 H new ATOM 0 HG3 ARG A 65 72.059 0.571 0.382 1.00 0.00 H new ATOM 0 HD2 ARG A 65 71.197 3.214 1.353 1.00 0.00 H new ATOM 0 HD3 ARG A 65 72.009 1.933 2.229 1.00 0.00 H new ATOM 0 HE ARG A 65 74.108 2.939 0.811 1.00 0.00 H new ATOM 0 HH11 ARG A 65 71.507 4.413 2.653 1.00 0.00 H new ATOM 0 HH12 ARG A 65 72.436 5.860 3.058 1.00 0.00 H new ATOM 0 HH21 ARG A 65 75.281 4.831 1.315 1.00 0.00 H new ATOM 0 HH22 ARG A 65 74.548 6.094 2.310 1.00 0.00 H new ATOM 945 N CYS A 66 75.350 0.254 -2.693 1.00 0.00 N ATOM 946 CA CYS A 66 75.543 -0.794 -3.700 1.00 0.00 C ATOM 947 C CYS A 66 75.970 -2.116 -3.012 1.00 0.00 C ATOM 948 O CYS A 66 76.925 -2.105 -2.237 1.00 0.00 O ATOM 949 CB CYS A 66 76.622 -0.334 -4.711 1.00 0.00 C ATOM 950 SG CYS A 66 76.113 -0.743 -6.409 1.00 0.00 S ATOM 0 H CYS A 66 75.907 1.096 -2.839 1.00 0.00 H new ATOM 0 HA CYS A 66 74.608 -0.971 -4.231 1.00 0.00 H new ATOM 0 HB2 CYS A 66 76.780 0.741 -4.621 1.00 0.00 H new ATOM 0 HB3 CYS A 66 77.573 -0.816 -4.483 1.00 0.00 H new ATOM 955 N PRO A 67 75.313 -3.249 -3.255 1.00 0.00 N ATOM 956 CA PRO A 67 75.711 -4.538 -2.598 1.00 0.00 C ATOM 957 C PRO A 67 77.085 -5.026 -3.070 1.00 0.00 C ATOM 958 O PRO A 67 77.590 -4.596 -4.105 1.00 0.00 O ATOM 959 CB PRO A 67 74.603 -5.553 -2.977 1.00 0.00 C ATOM 960 CG PRO A 67 73.520 -4.763 -3.654 1.00 0.00 C ATOM 961 CD PRO A 67 74.148 -3.452 -4.147 1.00 0.00 C ATOM 0 HA PRO A 67 75.802 -4.413 -1.519 1.00 0.00 H new ATOM 0 HB2 PRO A 67 74.993 -6.325 -3.640 1.00 0.00 H new ATOM 0 HB3 PRO A 67 74.219 -6.058 -2.091 1.00 0.00 H new ATOM 0 HG2 PRO A 67 73.100 -5.325 -4.488 1.00 0.00 H new ATOM 0 HG3 PRO A 67 72.703 -4.561 -2.962 1.00 0.00 H new ATOM 0 HD2 PRO A 67 74.454 -3.525 -5.191 1.00 0.00 H new ATOM 0 HD3 PRO A 67 73.444 -2.623 -4.078 1.00 0.00 H new ATOM 969 N CYS A 68 77.677 -5.938 -2.290 1.00 0.00 N ATOM 970 CA CYS A 68 78.989 -6.509 -2.618 1.00 0.00 C ATOM 971 C CYS A 68 78.846 -7.965 -3.089 1.00 0.00 C ATOM 972 O CYS A 68 77.911 -8.662 -2.692 1.00 0.00 O ATOM 973 CB CYS A 68 79.905 -6.444 -1.387 1.00 0.00 C ATOM 974 SG CYS A 68 80.506 -4.748 -1.148 1.00 0.00 S ATOM 0 H CYS A 68 77.268 -6.297 -1.427 1.00 0.00 H new ATOM 0 HA CYS A 68 79.429 -5.927 -3.428 1.00 0.00 H new ATOM 0 HB2 CYS A 68 79.362 -6.774 -0.502 1.00 0.00 H new ATOM 0 HB3 CYS A 68 80.748 -7.123 -1.515 1.00 0.00 H new ATOM 979 N PHE A 69 79.760 -8.406 -3.968 1.00 0.00 N ATOM 980 CA PHE A 69 79.712 -9.769 -4.536 1.00 0.00 C ATOM 981 C PHE A 69 80.841 -10.657 -4.001 1.00 0.00 C ATOM 982 O PHE A 69 81.984 -10.216 -3.883 1.00 0.00 O ATOM 983 CB PHE A 69 79.842 -9.686 -6.058 1.00 0.00 C ATOM 984 CG PHE A 69 81.118 -8.956 -6.416 1.00 0.00 C ATOM 985 CD1 PHE A 69 82.326 -9.658 -6.525 1.00 0.00 C ATOM 986 CD2 PHE A 69 81.091 -7.574 -6.639 1.00 0.00 C ATOM 987 CE1 PHE A 69 83.504 -8.976 -6.857 1.00 0.00 C ATOM 988 CE2 PHE A 69 82.269 -6.893 -6.971 1.00 0.00 C ATOM 989 CZ PHE A 69 83.475 -7.593 -7.080 1.00 0.00 C ATOM 0 H PHE A 69 80.541 -7.842 -4.302 1.00 0.00 H new ATOM 0 HA PHE A 69 78.760 -10.212 -4.245 1.00 0.00 H new ATOM 0 HB2 PHE A 69 79.850 -10.688 -6.488 1.00 0.00 H new ATOM 0 HB3 PHE A 69 78.982 -9.165 -6.479 1.00 0.00 H new ATOM 0 HD1 PHE A 69 82.349 -10.724 -6.353 1.00 0.00 H new ATOM 0 HD2 PHE A 69 80.160 -7.032 -6.555 1.00 0.00 H new ATOM 0 HE1 PHE A 69 84.435 -9.517 -6.941 1.00 0.00 H new ATOM 0 HE2 PHE A 69 82.246 -5.827 -7.143 1.00 0.00 H new ATOM 0 HZ PHE A 69 84.383 -7.068 -7.336 1.00 0.00 H new ATOM 999 N HIS A 70 80.511 -11.917 -3.687 1.00 0.00 N ATOM 1000 CA HIS A 70 81.512 -12.856 -3.176 1.00 0.00 C ATOM 1001 C HIS A 70 81.072 -14.317 -3.352 1.00 0.00 C ATOM 1002 O HIS A 70 79.957 -14.690 -3.002 1.00 0.00 O ATOM 1003 CB HIS A 70 81.761 -12.567 -1.698 1.00 0.00 C ATOM 1004 CG HIS A 70 82.940 -13.361 -1.219 1.00 0.00 C ATOM 1005 ND1 HIS A 70 84.179 -13.289 -1.834 1.00 0.00 N ATOM 1006 CD2 HIS A 70 83.088 -14.237 -0.174 1.00 0.00 C ATOM 1007 CE1 HIS A 70 85.013 -14.100 -1.159 1.00 0.00 C ATOM 1008 NE2 HIS A 70 84.399 -14.702 -0.137 1.00 0.00 N ATOM 0 H HIS A 70 79.571 -12.303 -3.777 1.00 0.00 H new ATOM 0 HA HIS A 70 82.429 -12.719 -3.750 1.00 0.00 H new ATOM 0 HB2 HIS A 70 81.944 -11.502 -1.551 1.00 0.00 H new ATOM 0 HB3 HIS A 70 80.877 -12.822 -1.114 1.00 0.00 H new ATOM 0 HD1 HIS A 70 84.416 -12.724 -2.650 1.00 0.00 H new ATOM 0 HD2 HIS A 70 82.307 -14.522 0.515 1.00 0.00 H new ATOM 0 HE1 HIS A 70 86.053 -14.247 -1.412 1.00 0.00 H new ATOM 1016 N GLN A 71 81.968 -15.149 -3.875 1.00 0.00 N ATOM 1017 CA GLN A 71 81.663 -16.571 -4.072 1.00 0.00 C ATOM 1018 C GLN A 71 80.224 -16.766 -4.590 1.00 0.00 C ATOM 1019 O GLN A 71 79.449 -17.542 -4.033 1.00 0.00 O ATOM 1020 CB GLN A 71 81.867 -17.350 -2.748 1.00 0.00 C ATOM 1021 CG GLN A 71 83.304 -17.878 -2.647 1.00 0.00 C ATOM 1022 CD GLN A 71 83.450 -18.730 -1.393 1.00 0.00 C ATOM 1023 OE1 GLN A 71 83.085 -18.297 -0.298 1.00 0.00 O ATOM 1024 NE2 GLN A 71 83.947 -19.933 -1.489 1.00 0.00 N ATOM 0 H GLN A 71 82.904 -14.871 -4.169 1.00 0.00 H new ATOM 0 HA GLN A 71 82.348 -16.963 -4.824 1.00 0.00 H new ATOM 0 HB2 GLN A 71 81.653 -16.699 -1.900 1.00 0.00 H new ATOM 0 HB3 GLN A 71 81.164 -18.181 -2.697 1.00 0.00 H new ATOM 0 HG2 GLN A 71 83.548 -18.469 -3.530 1.00 0.00 H new ATOM 0 HG3 GLN A 71 84.007 -17.045 -2.617 1.00 0.00 H new ATOM 0 HE21 GLN A 71 84.248 -20.289 -2.396 1.00 0.00 H new ATOM 0 HE22 GLN A 71 84.034 -20.517 -0.657 1.00 0.00 H new ATOM 1033 N GLY A 72 79.901 -16.103 -5.691 1.00 0.00 N ATOM 1034 CA GLY A 72 78.586 -16.265 -6.313 1.00 0.00 C ATOM 1035 C GLY A 72 77.452 -15.734 -5.434 1.00 0.00 C ATOM 1036 O GLY A 72 76.371 -15.420 -5.938 1.00 0.00 O ATOM 0 H GLY A 72 80.522 -15.452 -6.172 1.00 0.00 H new ATOM 0 HA2 GLY A 72 78.574 -15.744 -7.270 1.00 0.00 H new ATOM 0 HA3 GLY A 72 78.415 -17.321 -6.523 1.00 0.00 H new ATOM 1040 N LYS A 73 77.692 -15.626 -4.129 1.00 0.00 N ATOM 1041 CA LYS A 73 76.675 -15.119 -3.203 1.00 0.00 C ATOM 1042 C LYS A 73 77.015 -13.685 -2.803 1.00 0.00 C ATOM 1043 O LYS A 73 78.180 -13.298 -2.802 1.00 0.00 O ATOM 1044 CB LYS A 73 76.629 -15.992 -1.950 1.00 0.00 C ATOM 1045 CG LYS A 73 76.083 -17.373 -2.310 1.00 0.00 C ATOM 1046 CD LYS A 73 75.970 -18.219 -1.041 1.00 0.00 C ATOM 1047 CE LYS A 73 75.313 -19.561 -1.372 1.00 0.00 C ATOM 1048 NZ LYS A 73 74.817 -20.183 -0.115 1.00 0.00 N1+ ATOM 0 H LYS A 73 78.576 -15.881 -3.688 1.00 0.00 H new ATOM 0 HA LYS A 73 75.703 -15.143 -3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 73 77.627 -16.084 -1.522 1.00 0.00 H new ATOM 0 HB3 LYS A 73 75.999 -15.526 -1.192 1.00 0.00 H new ATOM 0 HG2 LYS A 73 75.107 -17.278 -2.786 1.00 0.00 H new ATOM 0 HG3 LYS A 73 76.741 -17.861 -3.029 1.00 0.00 H new ATOM 0 HD2 LYS A 73 76.959 -18.383 -0.613 1.00 0.00 H new ATOM 0 HD3 LYS A 73 75.382 -17.690 -0.291 1.00 0.00 H new ATOM 0 HE2 LYS A 73 74.489 -19.414 -2.070 1.00 0.00 H new ATOM 0 HE3 LYS A 73 76.030 -20.221 -1.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 74.369 -21.096 -0.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 75.614 -20.335 0.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 74.120 -19.554 0.332 1.00 0.00 H new ATOM 1062 N GLU A 74 76.004 -12.889 -2.465 1.00 0.00 N ATOM 1063 CA GLU A 74 76.240 -11.493 -2.064 1.00 0.00 C ATOM 1064 C GLU A 74 75.913 -11.332 -0.581 1.00 0.00 C ATOM 1065 O GLU A 74 74.992 -11.977 -0.084 1.00 0.00 O ATOM 1066 CB GLU A 74 75.356 -10.553 -2.888 1.00 0.00 C ATOM 1067 CG GLU A 74 75.519 -10.853 -4.383 1.00 0.00 C ATOM 1068 CD GLU A 74 74.502 -10.053 -5.188 1.00 0.00 C ATOM 1069 OE1 GLU A 74 74.644 -8.842 -5.251 1.00 0.00 O1- ATOM 1070 OE2 GLU A 74 73.599 -10.663 -5.739 1.00 0.00 O ATOM 0 H GLU A 74 75.025 -13.175 -2.458 1.00 0.00 H new ATOM 0 HA GLU A 74 77.286 -11.241 -2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 74 74.313 -10.674 -2.596 1.00 0.00 H new ATOM 0 HB3 GLU A 74 75.626 -9.517 -2.685 1.00 0.00 H new ATOM 0 HG2 GLU A 74 76.529 -10.601 -4.705 1.00 0.00 H new ATOM 0 HG3 GLU A 74 75.383 -11.919 -4.566 1.00 0.00 H new ATOM 1077 N TYR A 75 76.654 -10.456 0.126 1.00 0.00 N ATOM 1078 CA TYR A 75 76.396 -10.220 1.561 1.00 0.00 C ATOM 1079 C TYR A 75 76.043 -8.742 1.813 1.00 0.00 C ATOM 1080 O TYR A 75 75.933 -7.951 0.877 1.00 0.00 O ATOM 1081 CB TYR A 75 77.582 -10.661 2.453 1.00 0.00 C ATOM 1082 CG TYR A 75 77.142 -11.324 3.771 1.00 0.00 C ATOM 1083 CD1 TYR A 75 75.860 -11.130 4.356 1.00 0.00 C ATOM 1084 CD2 TYR A 75 78.069 -12.147 4.424 1.00 0.00 C ATOM 1085 CE1 TYR A 75 75.542 -11.760 5.567 1.00 0.00 C ATOM 1086 CE2 TYR A 75 77.737 -12.772 5.632 1.00 0.00 C ATOM 1087 CZ TYR A 75 76.477 -12.578 6.202 1.00 0.00 C ATOM 1088 OH TYR A 75 76.154 -13.190 7.395 1.00 0.00 O ATOM 0 H TYR A 75 77.422 -9.909 -0.264 1.00 0.00 H new ATOM 0 HA TYR A 75 75.542 -10.838 1.839 1.00 0.00 H new ATOM 0 HB2 TYR A 75 78.207 -11.358 1.895 1.00 0.00 H new ATOM 0 HB3 TYR A 75 78.199 -9.792 2.680 1.00 0.00 H new ATOM 0 HD1 TYR A 75 75.133 -10.498 3.868 1.00 0.00 H new ATOM 0 HD2 TYR A 75 79.047 -12.300 3.992 1.00 0.00 H new ATOM 0 HE1 TYR A 75 74.569 -11.612 6.011 1.00 0.00 H new ATOM 0 HE2 TYR A 75 78.458 -13.407 6.125 1.00 0.00 H new ATOM 0 HH TYR A 75 76.914 -13.725 7.704 1.00 0.00 H new ATOM 1098 N ALA A 76 75.816 -8.401 3.084 1.00 0.00 N ATOM 1099 CA ALA A 76 75.415 -7.049 3.486 1.00 0.00 C ATOM 1100 C ALA A 76 76.580 -6.332 4.188 1.00 0.00 C ATOM 1101 O ALA A 76 77.517 -6.977 4.654 1.00 0.00 O ATOM 1102 CB ALA A 76 74.206 -7.175 4.435 1.00 0.00 C ATOM 0 H ALA A 76 75.905 -9.053 3.863 1.00 0.00 H new ATOM 0 HA ALA A 76 75.144 -6.459 2.610 1.00 0.00 H new ATOM 0 HB1 ALA A 76 73.886 -6.182 4.750 1.00 0.00 H new ATOM 0 HB2 ALA A 76 73.387 -7.673 3.916 1.00 0.00 H new ATOM 0 HB3 ALA A 76 74.490 -7.760 5.310 1.00 0.00 H new ATOM 1108 N PRO A 77 76.540 -5.017 4.269 1.00 0.00 N ATOM 1109 CA PRO A 77 77.626 -4.225 4.931 1.00 0.00 C ATOM 1110 C PRO A 77 77.667 -4.427 6.450 1.00 0.00 C ATOM 1111 O PRO A 77 76.662 -4.764 7.073 1.00 0.00 O ATOM 1112 CB PRO A 77 77.301 -2.766 4.554 1.00 0.00 C ATOM 1113 CG PRO A 77 75.832 -2.746 4.250 1.00 0.00 C ATOM 1114 CD PRO A 77 75.467 -4.148 3.742 1.00 0.00 C ATOM 0 HA PRO A 77 78.616 -4.537 4.599 1.00 0.00 H new ATOM 0 HB2 PRO A 77 77.541 -2.087 5.372 1.00 0.00 H new ATOM 0 HB3 PRO A 77 77.884 -2.445 3.691 1.00 0.00 H new ATOM 0 HG2 PRO A 77 75.256 -2.495 5.141 1.00 0.00 H new ATOM 0 HG3 PRO A 77 75.603 -1.990 3.499 1.00 0.00 H new ATOM 0 HD2 PRO A 77 74.488 -4.460 4.105 1.00 0.00 H new ATOM 0 HD3 PRO A 77 75.428 -4.179 2.653 1.00 0.00 H new ATOM 1122 N GLY A 78 78.855 -4.228 7.026 1.00 0.00 N ATOM 1123 CA GLY A 78 79.045 -4.392 8.467 1.00 0.00 C ATOM 1124 C GLY A 78 79.158 -5.870 8.831 1.00 0.00 C ATOM 1125 O GLY A 78 79.215 -6.224 10.008 1.00 0.00 O ATOM 0 H GLY A 78 79.696 -3.954 6.518 1.00 0.00 H new ATOM 0 HA2 GLY A 78 79.945 -3.865 8.783 1.00 0.00 H new ATOM 0 HA3 GLY A 78 78.208 -3.943 9.003 1.00 0.00 H new ATOM 1129 N GLU A 79 79.185 -6.729 7.814 1.00 0.00 N ATOM 1130 CA GLU A 79 79.276 -8.174 8.036 1.00 0.00 C ATOM 1131 C GLU A 79 80.390 -8.793 7.197 1.00 0.00 C ATOM 1132 O GLU A 79 80.836 -8.224 6.200 1.00 0.00 O ATOM 1133 CB GLU A 79 77.929 -8.826 7.711 1.00 0.00 C ATOM 1134 CG GLU A 79 76.910 -8.510 8.835 1.00 0.00 C ATOM 1135 CD GLU A 79 76.934 -9.583 9.932 1.00 0.00 C ATOM 1136 OE1 GLU A 79 77.565 -10.608 9.734 1.00 0.00 O ATOM 1137 OE2 GLU A 79 76.313 -9.359 10.961 1.00 0.00 O1- ATOM 0 H GLU A 79 79.146 -6.454 6.833 1.00 0.00 H new ATOM 0 HA GLU A 79 79.519 -8.352 9.084 1.00 0.00 H new ATOM 0 HB2 GLU A 79 77.557 -8.457 6.755 1.00 0.00 H new ATOM 0 HB3 GLU A 79 78.051 -9.904 7.610 1.00 0.00 H new ATOM 0 HG2 GLU A 79 77.137 -7.537 9.271 1.00 0.00 H new ATOM 0 HG3 GLU A 79 75.908 -8.443 8.411 1.00 0.00 H new ATOM 1144 N THR A 80 80.841 -9.958 7.648 1.00 0.00 N ATOM 1145 CA THR A 80 81.930 -10.671 6.982 1.00 0.00 C ATOM 1146 C THR A 80 81.862 -12.169 7.216 1.00 0.00 C ATOM 1147 O THR A 80 80.892 -12.700 7.755 1.00 0.00 O ATOM 1148 CB THR A 80 83.306 -10.177 7.470 1.00 0.00 C ATOM 1149 OG1 THR A 80 83.815 -11.065 8.458 1.00 0.00 O ATOM 1150 CG2 THR A 80 83.200 -8.778 8.083 1.00 0.00 C ATOM 0 H THR A 80 80.471 -10.431 8.472 1.00 0.00 H new ATOM 0 HA THR A 80 81.812 -10.466 5.918 1.00 0.00 H new ATOM 0 HB THR A 80 83.974 -10.143 6.609 1.00 0.00 H new ATOM 0 HG1 THR A 80 84.690 -10.747 8.763 1.00 0.00 H new ATOM 0 HG21 THR A 80 84.184 -8.453 8.419 1.00 0.00 H new ATOM 0 HG22 THR A 80 82.823 -8.081 7.335 1.00 0.00 H new ATOM 0 HG23 THR A 80 82.517 -8.803 8.932 1.00 0.00 H new ATOM 1158 N VAL A 81 82.944 -12.829 6.796 1.00 0.00 N ATOM 1159 CA VAL A 81 83.100 -14.269 6.940 1.00 0.00 C ATOM 1160 C VAL A 81 84.518 -14.579 7.373 1.00 0.00 C ATOM 1161 O VAL A 81 85.287 -13.674 7.698 1.00 0.00 O ATOM 1162 CB VAL A 81 82.803 -14.997 5.634 1.00 0.00 C ATOM 1163 CG1 VAL A 81 81.341 -14.745 5.261 1.00 0.00 C ATOM 1164 CG2 VAL A 81 83.718 -14.490 4.490 1.00 0.00 C ATOM 0 H VAL A 81 83.737 -12.373 6.345 1.00 0.00 H new ATOM 0 HA VAL A 81 82.389 -14.613 7.691 1.00 0.00 H new ATOM 0 HB VAL A 81 82.990 -16.062 5.771 1.00 0.00 H new ATOM 0 HG11 VAL A 81 81.110 -15.259 4.328 1.00 0.00 H new ATOM 0 HG12 VAL A 81 80.693 -15.122 6.053 1.00 0.00 H new ATOM 0 HG13 VAL A 81 81.177 -13.675 5.136 1.00 0.00 H new ATOM 0 HG21 VAL A 81 83.483 -15.027 3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 81 83.554 -13.423 4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 81 84.761 -14.663 4.755 1.00 0.00 H new ATOM 1174 N LYS A 82 84.856 -15.866 7.408 1.00 0.00 N ATOM 1175 CA LYS A 82 86.179 -16.294 7.848 1.00 0.00 C ATOM 1176 C LYS A 82 86.892 -17.098 6.750 1.00 0.00 C ATOM 1177 O LYS A 82 86.659 -18.299 6.602 1.00 0.00 O ATOM 1178 CB LYS A 82 85.991 -17.163 9.103 1.00 0.00 C ATOM 1179 CG LYS A 82 87.104 -16.886 10.127 1.00 0.00 C ATOM 1180 CD LYS A 82 86.872 -15.514 10.831 1.00 0.00 C ATOM 1181 CE LYS A 82 86.716 -15.709 12.345 1.00 0.00 C ATOM 1182 NZ LYS A 82 85.621 -16.687 12.608 1.00 0.00 N1+ ATOM 0 H LYS A 82 84.233 -16.627 7.138 1.00 0.00 H new ATOM 0 HA LYS A 82 86.798 -15.424 8.067 1.00 0.00 H new ATOM 0 HB2 LYS A 82 85.019 -16.958 9.551 1.00 0.00 H new ATOM 0 HB3 LYS A 82 85.999 -18.217 8.826 1.00 0.00 H new ATOM 0 HG2 LYS A 82 87.128 -17.683 10.870 1.00 0.00 H new ATOM 0 HG3 LYS A 82 88.073 -16.886 9.628 1.00 0.00 H new ATOM 0 HD2 LYS A 82 87.710 -14.848 10.628 1.00 0.00 H new ATOM 0 HD3 LYS A 82 85.980 -15.036 10.426 1.00 0.00 H new ATOM 0 HE2 LYS A 82 87.651 -16.069 12.775 1.00 0.00 H new ATOM 0 HE3 LYS A 82 86.491 -14.756 12.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 85.136 -16.436 13.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 84.940 -16.665 11.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 86.022 -17.643 12.692 1.00 0.00 H new ATOM 1196 N ILE A 83 87.779 -16.447 5.993 1.00 0.00 N ATOM 1197 CA ILE A 83 88.532 -17.141 4.943 1.00 0.00 C ATOM 1198 C ILE A 83 89.963 -17.388 5.419 1.00 0.00 C ATOM 1199 O ILE A 83 90.870 -16.612 5.118 1.00 0.00 O ATOM 1200 CB ILE A 83 88.567 -16.288 3.665 1.00 0.00 C ATOM 1201 CG1 ILE A 83 87.131 -15.915 3.271 1.00 0.00 C ATOM 1202 CG2 ILE A 83 89.236 -17.069 2.503 1.00 0.00 C ATOM 1203 CD1 ILE A 83 87.167 -14.968 2.068 1.00 0.00 C ATOM 0 H ILE A 83 87.992 -15.454 6.084 1.00 0.00 H new ATOM 0 HA ILE A 83 88.043 -18.091 4.728 1.00 0.00 H new ATOM 0 HB ILE A 83 89.149 -15.387 3.857 1.00 0.00 H new ATOM 0 HG12 ILE A 83 86.564 -16.813 3.025 1.00 0.00 H new ATOM 0 HG13 ILE A 83 86.624 -15.438 4.109 1.00 0.00 H new ATOM 0 HG21 ILE A 83 89.251 -16.447 1.608 1.00 0.00 H new ATOM 0 HG22 ILE A 83 90.257 -17.330 2.780 1.00 0.00 H new ATOM 0 HG23 ILE A 83 88.671 -17.979 2.303 1.00 0.00 H new ATOM 0 HD11 ILE A 83 86.149 -14.701 1.785 1.00 0.00 H new ATOM 0 HD12 ILE A 83 87.719 -14.066 2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 83 87.659 -15.463 1.230 1.00 0.00 H new ATOM 1215 N GLY A 84 90.155 -18.488 6.137 1.00 0.00 N ATOM 1216 CA GLY A 84 91.476 -18.870 6.636 1.00 0.00 C ATOM 1217 C GLY A 84 92.355 -17.664 6.987 1.00 0.00 C ATOM 1218 O GLY A 84 92.972 -17.056 6.112 1.00 0.00 O ATOM 0 H GLY A 84 89.409 -19.137 6.389 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.357 -19.496 7.520 1.00 0.00 H new ATOM 0 HA3 GLY A 84 91.982 -19.475 5.883 1.00 0.00 H new ATOM 1222 N CYS A 85 92.459 -17.382 8.282 1.00 0.00 N ATOM 1223 CA CYS A 85 93.322 -16.308 8.781 1.00 0.00 C ATOM 1224 C CYS A 85 92.906 -14.919 8.291 1.00 0.00 C ATOM 1225 O CYS A 85 92.608 -14.041 9.101 1.00 0.00 O ATOM 1226 CB CYS A 85 94.775 -16.579 8.386 1.00 0.00 C ATOM 1227 SG CYS A 85 95.871 -15.627 9.465 1.00 0.00 S ATOM 0 H CYS A 85 91.954 -17.884 9.012 1.00 0.00 H new ATOM 0 HA CYS A 85 93.217 -16.305 9.866 1.00 0.00 H new ATOM 0 HB2 CYS A 85 94.995 -17.643 8.471 1.00 0.00 H new ATOM 0 HB3 CYS A 85 94.939 -16.302 7.345 1.00 0.00 H new ATOM 1232 N ASN A 86 92.933 -14.697 6.983 1.00 0.00 N ATOM 1233 CA ASN A 86 92.592 -13.380 6.431 1.00 0.00 C ATOM 1234 C ASN A 86 91.126 -13.329 5.992 1.00 0.00 C ATOM 1235 O ASN A 86 90.658 -14.186 5.245 1.00 0.00 O ATOM 1236 CB ASN A 86 93.507 -13.075 5.234 1.00 0.00 C ATOM 1237 CG ASN A 86 93.763 -14.351 4.438 1.00 0.00 C ATOM 1238 OD1 ASN A 86 94.366 -15.292 4.953 1.00 0.00 O ATOM 1239 ND2 ASN A 86 93.336 -14.441 3.210 1.00 0.00 N ATOM 0 H ASN A 86 93.184 -15.399 6.287 1.00 0.00 H new ATOM 0 HA ASN A 86 92.738 -12.630 7.208 1.00 0.00 H new ATOM 0 HB2 ASN A 86 93.045 -12.323 4.594 1.00 0.00 H new ATOM 0 HB3 ASN A 86 94.452 -12.659 5.584 1.00 0.00 H new ATOM 0 HD21 ASN A 86 93.501 -15.293 2.674 1.00 0.00 H new ATOM 0 HD22 ASN A 86 92.836 -13.660 2.785 1.00 0.00 H new ATOM 1246 N THR A 87 90.429 -12.269 6.418 1.00 0.00 N ATOM 1247 CA THR A 87 89.036 -12.033 6.032 1.00 0.00 C ATOM 1248 C THR A 87 88.879 -10.575 5.603 1.00 0.00 C ATOM 1249 O THR A 87 89.762 -9.752 5.846 1.00 0.00 O ATOM 1250 CB THR A 87 88.083 -12.332 7.192 1.00 0.00 C ATOM 1251 OG1 THR A 87 86.750 -12.066 6.777 1.00 0.00 O ATOM 1252 CG2 THR A 87 88.431 -11.445 8.385 1.00 0.00 C ATOM 0 H THR A 87 90.814 -11.555 7.037 1.00 0.00 H new ATOM 0 HA THR A 87 88.784 -12.699 5.207 1.00 0.00 H new ATOM 0 HB THR A 87 88.178 -13.378 7.483 1.00 0.00 H new ATOM 0 HG1 THR A 87 86.123 -12.456 7.421 1.00 0.00 H new ATOM 0 HG21 THR A 87 87.751 -11.660 9.209 1.00 0.00 H new ATOM 0 HG22 THR A 87 89.456 -11.643 8.699 1.00 0.00 H new ATOM 0 HG23 THR A 87 88.335 -10.397 8.100 1.00 0.00 H new ATOM 1260 N CYS A 88 87.776 -10.271 4.918 1.00 0.00 N ATOM 1261 CA CYS A 88 87.538 -8.916 4.406 1.00 0.00 C ATOM 1262 C CYS A 88 86.075 -8.498 4.613 1.00 0.00 C ATOM 1263 O CYS A 88 85.174 -9.336 4.593 1.00 0.00 O ATOM 1264 CB CYS A 88 87.913 -8.911 2.920 1.00 0.00 C ATOM 1265 SG CYS A 88 89.477 -9.808 2.713 1.00 0.00 S ATOM 0 H CYS A 88 87.035 -10.939 4.704 1.00 0.00 H new ATOM 0 HA CYS A 88 88.147 -8.193 4.948 1.00 0.00 H new ATOM 0 HB2 CYS A 88 87.126 -9.381 2.330 1.00 0.00 H new ATOM 0 HB3 CYS A 88 88.013 -7.887 2.559 1.00 0.00 H new ATOM 1270 N VAL A 89 85.847 -7.189 4.831 1.00 0.00 N ATOM 1271 CA VAL A 89 84.488 -6.655 5.065 1.00 0.00 C ATOM 1272 C VAL A 89 84.087 -5.695 3.936 1.00 0.00 C ATOM 1273 O VAL A 89 84.854 -4.799 3.588 1.00 0.00 O ATOM 1274 CB VAL A 89 84.454 -5.912 6.411 1.00 0.00 C ATOM 1275 CG1 VAL A 89 85.524 -4.820 6.438 1.00 0.00 C ATOM 1276 CG2 VAL A 89 83.073 -5.283 6.627 1.00 0.00 C ATOM 0 H VAL A 89 86.582 -6.482 4.850 1.00 0.00 H new ATOM 0 HA VAL A 89 83.782 -7.485 5.085 1.00 0.00 H new ATOM 0 HB VAL A 89 84.654 -6.627 7.210 1.00 0.00 H new ATOM 0 HG11 VAL A 89 85.490 -4.301 7.396 1.00 0.00 H new ATOM 0 HG12 VAL A 89 86.507 -5.271 6.304 1.00 0.00 H new ATOM 0 HG13 VAL A 89 85.338 -4.109 5.633 1.00 0.00 H new ATOM 0 HG21 VAL A 89 83.057 -4.759 7.583 1.00 0.00 H new ATOM 0 HG22 VAL A 89 82.865 -4.578 5.823 1.00 0.00 H new ATOM 0 HG23 VAL A 89 82.313 -6.065 6.630 1.00 0.00 H new ATOM 1286 N CYS A 90 82.878 -5.890 3.372 1.00 0.00 N ATOM 1287 CA CYS A 90 82.403 -5.069 2.241 1.00 0.00 C ATOM 1288 C CYS A 90 82.318 -3.601 2.624 1.00 0.00 C ATOM 1289 O CYS A 90 81.301 -3.110 3.113 1.00 0.00 O ATOM 1290 CB CYS A 90 81.037 -5.593 1.752 1.00 0.00 C ATOM 1291 SG CYS A 90 80.155 -4.316 0.803 1.00 0.00 S ATOM 0 H CYS A 90 82.217 -6.604 3.679 1.00 0.00 H new ATOM 0 HA CYS A 90 83.123 -5.151 1.426 1.00 0.00 H new ATOM 0 HB2 CYS A 90 81.183 -6.477 1.132 1.00 0.00 H new ATOM 0 HB3 CYS A 90 80.433 -5.899 2.606 1.00 0.00 H new ATOM 1296 N ARG A 91 83.412 -2.911 2.308 1.00 0.00 N ATOM 1297 CA ARG A 91 83.538 -1.474 2.511 1.00 0.00 C ATOM 1298 C ARG A 91 83.518 -0.793 1.149 1.00 0.00 C ATOM 1299 O ARG A 91 84.504 -0.806 0.415 1.00 0.00 O ATOM 1300 CB ARG A 91 84.852 -1.174 3.245 1.00 0.00 C ATOM 1301 CG ARG A 91 85.176 0.328 3.190 1.00 0.00 C ATOM 1302 CD ARG A 91 86.232 0.676 4.254 1.00 0.00 C ATOM 1303 NE ARG A 91 86.995 1.859 3.843 1.00 0.00 N ATOM 1304 CZ ARG A 91 86.948 3.028 4.492 1.00 0.00 C ATOM 1305 NH1 ARG A 91 86.135 3.217 5.498 1.00 0.00 N ATOM 1306 NH2 ARG A 91 87.724 4.000 4.098 1.00 0.00 N1+ ATOM 0 H ARG A 91 84.242 -3.340 1.900 1.00 0.00 H new ATOM 0 HA ARG A 91 82.713 -1.099 3.117 1.00 0.00 H new ATOM 0 HB2 ARG A 91 84.776 -1.497 4.283 1.00 0.00 H new ATOM 0 HB3 ARG A 91 85.665 -1.743 2.793 1.00 0.00 H new ATOM 0 HG2 ARG A 91 85.545 0.593 2.199 1.00 0.00 H new ATOM 0 HG3 ARG A 91 84.271 0.911 3.360 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.746 0.862 5.212 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.906 -0.169 4.398 1.00 0.00 H new ATOM 0 HE ARG A 91 87.593 1.787 3.020 1.00 0.00 H new ATOM 0 HH11 ARG A 91 85.518 2.464 5.804 1.00 0.00 H new ATOM 0 HH12 ARG A 91 86.117 4.117 5.977 1.00 0.00 H new ATOM 0 HH21 ARG A 91 88.353 3.862 3.307 1.00 0.00 H new ATOM 0 HH22 ARG A 91 87.702 4.898 4.581 1.00 0.00 H new ATOM 1320 N ASP A 92 82.378 -0.199 0.838 1.00 0.00 N ATOM 1321 CA ASP A 92 82.192 0.505 -0.420 1.00 0.00 C ATOM 1322 C ASP A 92 82.438 -0.383 -1.640 1.00 0.00 C ATOM 1323 O ASP A 92 83.464 -0.266 -2.307 1.00 0.00 O ATOM 1324 CB ASP A 92 83.109 1.724 -0.474 1.00 0.00 C ATOM 1325 CG ASP A 92 82.832 2.638 0.716 1.00 0.00 C ATOM 1326 OD1 ASP A 92 82.445 2.124 1.753 1.00 0.00 O ATOM 1327 OD2 ASP A 92 83.009 3.835 0.571 1.00 0.00 O1- ATOM 0 H ASP A 92 81.559 -0.191 1.447 1.00 0.00 H new ATOM 0 HA ASP A 92 81.148 0.818 -0.458 1.00 0.00 H new ATOM 0 HB2 ASP A 92 84.152 1.406 -0.464 1.00 0.00 H new ATOM 0 HB3 ASP A 92 82.951 2.268 -1.405 1.00 0.00 H new ATOM 1332 N ARG A 93 81.436 -1.194 -1.978 1.00 0.00 N ATOM 1333 CA ARG A 93 81.476 -2.019 -3.190 1.00 0.00 C ATOM 1334 C ARG A 93 82.597 -3.057 -3.172 1.00 0.00 C ATOM 1335 O ARG A 93 82.698 -3.865 -4.095 1.00 0.00 O ATOM 1336 CB ARG A 93 81.687 -1.127 -4.423 1.00 0.00 C ATOM 1337 CG ARG A 93 80.743 0.093 -4.398 1.00 0.00 C ATOM 1338 CD ARG A 93 81.354 1.227 -5.226 1.00 0.00 C ATOM 1339 NE ARG A 93 82.606 1.660 -4.614 1.00 0.00 N ATOM 1340 CZ ARG A 93 83.309 2.668 -5.114 1.00 0.00 C ATOM 1341 NH1 ARG A 93 82.870 3.314 -6.157 1.00 0.00 N ATOM 1342 NH2 ARG A 93 84.437 3.017 -4.555 1.00 0.00 N1+ ATOM 0 H ARG A 93 80.583 -1.299 -1.429 1.00 0.00 H new ATOM 0 HA ARG A 93 80.521 -2.544 -3.230 1.00 0.00 H new ATOM 0 HB2 ARG A 93 82.722 -0.788 -4.457 1.00 0.00 H new ATOM 0 HB3 ARG A 93 81.512 -1.707 -5.329 1.00 0.00 H new ATOM 0 HG2 ARG A 93 79.767 -0.180 -4.800 1.00 0.00 H new ATOM 0 HG3 ARG A 93 80.584 0.423 -3.371 1.00 0.00 H new ATOM 0 HD2 ARG A 93 81.534 0.889 -6.247 1.00 0.00 H new ATOM 0 HD3 ARG A 93 80.658 2.064 -5.285 1.00 0.00 H new ATOM 0 HE ARG A 93 82.948 1.177 -3.783 1.00 0.00 H new ATOM 0 HH11 ARG A 93 81.986 3.045 -6.589 1.00 0.00 H new ATOM 0 HH12 ARG A 93 83.410 4.089 -6.542 1.00 0.00 H new ATOM 0 HH21 ARG A 93 84.777 2.515 -3.735 1.00 0.00 H new ATOM 0 HH22 ARG A 93 84.978 3.792 -4.939 1.00 0.00 H new ATOM 1356 N LYS A 94 83.447 -3.047 -2.148 1.00 0.00 N ATOM 1357 CA LYS A 94 84.548 -4.016 -2.090 1.00 0.00 C ATOM 1358 C LYS A 94 84.829 -4.400 -0.648 1.00 0.00 C ATOM 1359 O LYS A 94 84.473 -3.670 0.273 1.00 0.00 O ATOM 1360 CB LYS A 94 85.821 -3.423 -2.754 1.00 0.00 C ATOM 1361 CG LYS A 94 86.210 -4.237 -3.997 1.00 0.00 C ATOM 1362 CD LYS A 94 87.625 -3.866 -4.443 1.00 0.00 C ATOM 1363 CE LYS A 94 88.083 -4.866 -5.501 1.00 0.00 C ATOM 1364 NZ LYS A 94 88.226 -6.210 -4.869 1.00 0.00 N1+ ATOM 0 H LYS A 94 83.402 -2.397 -1.363 1.00 0.00 H new ATOM 0 HA LYS A 94 84.259 -4.913 -2.638 1.00 0.00 H new ATOM 0 HB2 LYS A 94 85.642 -2.385 -3.034 1.00 0.00 H new ATOM 0 HB3 LYS A 94 86.644 -3.423 -2.040 1.00 0.00 H new ATOM 0 HG2 LYS A 94 86.157 -5.303 -3.775 1.00 0.00 H new ATOM 0 HG3 LYS A 94 85.503 -4.044 -4.804 1.00 0.00 H new ATOM 0 HD2 LYS A 94 87.640 -2.854 -4.848 1.00 0.00 H new ATOM 0 HD3 LYS A 94 88.305 -3.879 -3.591 1.00 0.00 H new ATOM 0 HE2 LYS A 94 87.361 -4.908 -6.317 1.00 0.00 H new ATOM 0 HE3 LYS A 94 89.033 -4.550 -5.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 89.168 -6.596 -5.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 88.113 -6.123 -3.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 87.497 -6.849 -5.244 1.00 0.00 H new ATOM 1378 N TRP A 95 85.508 -5.540 -0.460 1.00 0.00 N ATOM 1379 CA TRP A 95 85.857 -6.007 0.875 1.00 0.00 C ATOM 1380 C TRP A 95 87.284 -5.578 1.235 1.00 0.00 C ATOM 1381 O TRP A 95 88.241 -5.896 0.529 1.00 0.00 O ATOM 1382 CB TRP A 95 85.694 -7.539 0.955 1.00 0.00 C ATOM 1383 CG TRP A 95 84.500 -7.991 0.144 1.00 0.00 C ATOM 1384 CD1 TRP A 95 84.447 -7.987 -1.209 1.00 0.00 C ATOM 1385 CD2 TRP A 95 83.204 -8.532 0.595 1.00 0.00 C ATOM 1386 NE1 TRP A 95 83.218 -8.476 -1.617 1.00 0.00 N ATOM 1387 CE2 TRP A 95 82.417 -8.824 -0.548 1.00 0.00 C ATOM 1388 CE3 TRP A 95 82.633 -8.792 1.862 1.00 0.00 C ATOM 1389 CZ2 TRP A 95 81.122 -9.350 -0.445 1.00 0.00 C ATOM 1390 CZ3 TRP A 95 81.325 -9.322 1.966 1.00 0.00 C ATOM 1391 CH2 TRP A 95 80.570 -9.600 0.810 1.00 0.00 C ATOM 0 H TRP A 95 85.822 -6.148 -1.216 1.00 0.00 H new ATOM 0 HA TRP A 95 85.182 -5.554 1.601 1.00 0.00 H new ATOM 0 HB2 TRP A 95 86.597 -8.026 0.586 1.00 0.00 H new ATOM 0 HB3 TRP A 95 85.570 -7.843 1.994 1.00 0.00 H new ATOM 0 HD1 TRP A 95 85.238 -7.655 -1.865 1.00 0.00 H new ATOM 0 HE1 TRP A 95 82.937 -8.568 -2.593 1.00 0.00 H new ATOM 0 HE3 TRP A 95 83.200 -8.584 2.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 80.552 -9.561 -1.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 80.902 -9.515 2.941 1.00 0.00 H new ATOM 0 HH2 TRP A 95 79.572 -10.003 0.895 1.00 0.00 H new ATOM 1402 N ASN A 96 87.408 -4.876 2.370 1.00 0.00 N ATOM 1403 CA ASN A 96 88.710 -4.426 2.871 1.00 0.00 C ATOM 1404 C ASN A 96 89.317 -5.522 3.736 1.00 0.00 C ATOM 1405 O ASN A 96 88.717 -5.949 4.721 1.00 0.00 O ATOM 1406 CB ASN A 96 88.545 -3.132 3.684 1.00 0.00 C ATOM 1407 CG ASN A 96 89.772 -2.882 4.565 1.00 0.00 C ATOM 1408 OD1 ASN A 96 90.857 -2.599 4.059 1.00 0.00 O ATOM 1409 ND2 ASN A 96 89.658 -2.977 5.863 1.00 0.00 N ATOM 0 H ASN A 96 86.619 -4.608 2.958 1.00 0.00 H new ATOM 0 HA ASN A 96 89.374 -4.220 2.031 1.00 0.00 H new ATOM 0 HB2 ASN A 96 88.399 -2.289 3.008 1.00 0.00 H new ATOM 0 HB3 ASN A 96 87.653 -3.200 4.306 1.00 0.00 H new ATOM 0 HD21 ASN A 96 90.470 -2.816 6.459 1.00 0.00 H new ATOM 0 HD22 ASN A 96 88.757 -3.212 6.280 1.00 0.00 H new ATOM 1416 N CYS A 97 90.470 -6.021 3.314 1.00 0.00 N ATOM 1417 CA CYS A 97 91.113 -7.136 4.000 1.00 0.00 C ATOM 1418 C CYS A 97 92.053 -6.677 5.116 1.00 0.00 C ATOM 1419 O CYS A 97 92.795 -5.706 4.973 1.00 0.00 O ATOM 1420 CB CYS A 97 91.876 -7.956 2.967 1.00 0.00 C ATOM 1421 SG CYS A 97 90.706 -8.549 1.715 1.00 0.00 S ATOM 0 H CYS A 97 90.980 -5.673 2.502 1.00 0.00 H new ATOM 0 HA CYS A 97 90.341 -7.738 4.479 1.00 0.00 H new ATOM 0 HB2 CYS A 97 92.652 -7.349 2.501 1.00 0.00 H new ATOM 0 HB3 CYS A 97 92.375 -8.798 3.447 1.00 0.00 H new ATOM 1426 N THR A 98 91.953 -7.369 6.252 1.00 0.00 N ATOM 1427 CA THR A 98 92.725 -7.050 7.455 1.00 0.00 C ATOM 1428 C THR A 98 94.209 -6.962 7.212 1.00 0.00 C ATOM 1429 O THR A 98 94.933 -6.422 8.045 1.00 0.00 O ATOM 1430 CB THR A 98 92.463 -8.119 8.516 1.00 0.00 C ATOM 1431 OG1 THR A 98 92.725 -9.399 7.960 1.00 0.00 O ATOM 1432 CG2 THR A 98 91.008 -8.047 8.984 1.00 0.00 C ATOM 0 H THR A 98 91.332 -8.170 6.364 1.00 0.00 H new ATOM 0 HA THR A 98 92.396 -6.065 7.786 1.00 0.00 H new ATOM 0 HB THR A 98 93.116 -7.949 9.372 1.00 0.00 H new ATOM 0 HG1 THR A 98 92.561 -10.089 8.636 1.00 0.00 H new ATOM 0 HG21 THR A 98 90.831 -8.812 9.740 1.00 0.00 H new ATOM 0 HG22 THR A 98 90.811 -7.063 9.410 1.00 0.00 H new ATOM 0 HG23 THR A 98 90.344 -8.214 8.136 1.00 0.00 H new ATOM 1440 N ASP A 99 94.672 -7.555 6.144 1.00 0.00 N ATOM 1441 CA ASP A 99 96.106 -7.599 5.863 1.00 0.00 C ATOM 1442 C ASP A 99 96.847 -8.341 6.973 1.00 0.00 C ATOM 1443 O ASP A 99 98.022 -8.681 6.821 1.00 0.00 O ATOM 1444 CB ASP A 99 96.696 -6.191 5.719 1.00 0.00 C ATOM 1445 CG ASP A 99 96.196 -5.542 4.435 1.00 0.00 C ATOM 1446 OD1 ASP A 99 96.740 -5.849 3.388 1.00 0.00 O ATOM 1447 OD2 ASP A 99 95.273 -4.748 4.518 1.00 0.00 O1- ATOM 0 H ASP A 99 94.088 -8.018 5.447 1.00 0.00 H new ATOM 0 HA ASP A 99 96.233 -8.128 4.919 1.00 0.00 H new ATOM 0 HB2 ASP A 99 96.415 -5.581 6.577 1.00 0.00 H new ATOM 0 HB3 ASP A 99 97.785 -6.244 5.709 1.00 0.00 H new ATOM 1452 N HIS A 100 96.150 -8.636 8.070 1.00 0.00 N ATOM 1453 CA HIS A 100 96.772 -9.373 9.169 1.00 0.00 C ATOM 1454 C HIS A 100 97.170 -10.767 8.691 1.00 0.00 C ATOM 1455 O HIS A 100 96.438 -11.396 7.926 1.00 0.00 O ATOM 1456 CB HIS A 100 95.792 -9.496 10.341 1.00 0.00 C ATOM 1457 CG HIS A 100 96.374 -10.395 11.398 1.00 0.00 C ATOM 1458 ND1 HIS A 100 96.115 -11.755 11.439 1.00 0.00 N ATOM 1459 CD2 HIS A 100 97.211 -10.141 12.457 1.00 0.00 C ATOM 1460 CE1 HIS A 100 96.783 -12.265 12.489 1.00 0.00 C ATOM 1461 NE2 HIS A 100 97.468 -11.324 13.143 1.00 0.00 N ATOM 0 H HIS A 100 95.174 -8.382 8.220 1.00 0.00 H new ATOM 0 HA HIS A 100 97.659 -8.833 9.500 1.00 0.00 H new ATOM 0 HB2 HIS A 100 95.587 -8.511 10.761 1.00 0.00 H new ATOM 0 HB3 HIS A 100 94.841 -9.898 9.992 1.00 0.00 H new ATOM 0 HD2 HIS A 100 97.609 -9.171 12.717 1.00 0.00 H new ATOM 0 HE1 HIS A 100 96.767 -13.308 12.769 1.00 0.00 H new ATOM 0 HE2 HIS A 100 98.054 -11.446 13.969 1.00 0.00 H new ATOM 1469 N VAL A 101 98.325 -11.256 9.151 1.00 0.00 N ATOM 1470 CA VAL A 101 98.790 -12.593 8.771 1.00 0.00 C ATOM 1471 C VAL A 101 99.230 -13.364 10.012 1.00 0.00 C ATOM 1472 O VAL A 101 100.183 -12.978 10.689 1.00 0.00 O ATOM 1473 CB VAL A 101 99.966 -12.482 7.798 1.00 0.00 C ATOM 1474 CG1 VAL A 101 100.210 -13.837 7.131 1.00 0.00 C ATOM 1475 CG2 VAL A 101 99.640 -11.435 6.730 1.00 0.00 C ATOM 0 H VAL A 101 98.950 -10.752 9.781 1.00 0.00 H new ATOM 0 HA VAL A 101 97.971 -13.124 8.287 1.00 0.00 H new ATOM 0 HB VAL A 101 100.862 -12.183 8.341 1.00 0.00 H new ATOM 0 HG11 VAL A 101 101.048 -13.756 6.438 1.00 0.00 H new ATOM 0 HG12 VAL A 101 100.440 -14.582 7.893 1.00 0.00 H new ATOM 0 HG13 VAL A 101 99.316 -14.140 6.585 1.00 0.00 H new ATOM 0 HG21 VAL A 101 100.475 -11.352 6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 101 98.744 -11.736 6.187 1.00 0.00 H new ATOM 0 HG23 VAL A 101 99.468 -10.470 7.207 1.00 0.00 H new ATOM 1485 N CYS A 102 98.531 -14.452 10.303 1.00 0.00 N ATOM 1486 CA CYS A 102 98.860 -15.262 11.472 1.00 0.00 C ATOM 1487 C CYS A 102 100.202 -15.952 11.268 1.00 0.00 C ATOM 1488 O CYS A 102 101.228 -15.500 11.776 1.00 0.00 O ATOM 1489 CB CYS A 102 97.766 -16.305 11.720 1.00 0.00 C ATOM 1490 SG CYS A 102 97.206 -16.983 10.138 1.00 0.00 S ATOM 0 H CYS A 102 97.741 -14.793 9.755 1.00 0.00 H new ATOM 0 HA CYS A 102 98.926 -14.610 12.343 1.00 0.00 H new ATOM 0 HB2 CYS A 102 98.148 -17.104 12.355 1.00 0.00 H new ATOM 0 HB3 CYS A 102 96.929 -15.850 12.249 1.00 0.00 H new ATOM 1495 N ASP A 103 100.186 -17.058 10.532 1.00 0.00 N ATOM 1496 CA ASP A 103 101.410 -17.807 10.278 1.00 0.00 C ATOM 1497 C ASP A 103 102.267 -17.077 9.240 1.00 0.00 C ATOM 1498 O ASP A 103 103.479 -17.181 9.322 1.00 0.00 O ATOM 1499 CB ASP A 103 101.049 -19.229 9.789 1.00 0.00 C ATOM 1500 CG ASP A 103 101.977 -20.276 10.405 1.00 0.00 C ATOM 1501 OD1 ASP A 103 103.181 -20.116 10.287 1.00 0.00 O ATOM 1502 OD2 ASP A 103 101.467 -21.217 10.990 1.00 0.00 O1- ATOM 1503 OXT ASP A 103 101.694 -16.423 8.383 1.00 0.00 O ATOM 0 H ASP A 103 99.348 -17.452 10.105 1.00 0.00 H new ATOM 0 HA ASP A 103 101.987 -17.887 11.199 1.00 0.00 H new ATOM 0 HB2 ASP A 103 100.016 -19.455 10.051 1.00 0.00 H new ATOM 0 HB3 ASP A 103 101.119 -19.272 8.702 1.00 0.00 H new TER 1508 ASP A 103