USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 526 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: B1054 THR OG1 : rot 180:sc= -0.611 USER MOD Set 1.2: B1057 GLN : amide:sc= -0.0979 X(o=-0.71,f=-0.61) USER MOD Set 2.1: B1053 MET CE :methyl -162:sc= -2.12 (180deg=-4.29!) USER MOD Set 2.2: B1091 TYR OH : rot -130:sc= -0.817 USER MOD Single : A 48 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.0067) USER MOD Single : B1058 MET CE :methyl 177:sc= -1.99 (180deg=-2.1) USER MOD Single : B1060 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1062 MET CE :methyl -121:sc= -2.59 (180deg=-4.05!) USER MOD Single : B1063 SER OG : rot 78:sc= 0.744 USER MOD Single : B1087 SER OG : rot 180:sc= 0 USER MOD Single : B1088 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1097 THR OG1 : rot 89:sc= 0.435 USER MOD Single : B1099 ASN : amide:sc= 1.07 K(o=1.1,f=-0.097) USER MOD Single : B1100 THR OG1 : rot -79:sc= 0.813 USER MOD Single : B1101 SER OG : rot 24:sc= -0.987 USER MOD Single : B1102 CYS SG : rot 56:sc= 0.327 USER MOD Single : B1110 CYS SG : rot 77:sc= -0.16 USER MOD Single : B1115 HIS :FLIP no HE2:sc= -0.0763 F(o=-0.85,f=-0.076) USER MOD Single : B1119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1121 TYR OH : rot -165:sc= -0.571! USER MOD Single : B1122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B1125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1126 SER OG : rot -20:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 61 N MET B1053 -0.831 -7.457 12.296 1.00 0.00 N ATOM 62 CA MET B1053 -2.230 -7.580 11.906 1.00 0.00 C ATOM 63 C MET B1053 -2.366 -8.432 10.650 1.00 0.00 C ATOM 64 O MET B1053 -1.540 -8.354 9.743 1.00 0.00 O ATOM 65 CB MET B1053 -2.822 -6.198 11.638 1.00 0.00 C ATOM 66 CG MET B1053 -2.595 -5.295 12.851 1.00 0.00 C ATOM 67 SD MET B1053 -3.887 -4.025 12.902 1.00 0.00 S ATOM 68 CE MET B1053 -3.944 -3.666 11.127 1.00 0.00 C ATOM 0 HA MET B1053 -2.769 -8.060 12.723 1.00 0.00 H new ATOM 0 HB2 MET B1053 -2.359 -5.759 10.754 1.00 0.00 H new ATOM 0 HB3 MET B1053 -3.889 -6.283 11.430 1.00 0.00 H new ATOM 0 HG2 MET B1053 -2.613 -5.886 13.767 1.00 0.00 H new ATOM 0 HG3 MET B1053 -1.612 -4.828 12.792 1.00 0.00 H new ATOM 0 HE1 MET B1053 -4.432 -2.705 10.966 1.00 0.00 H new ATOM 0 HE2 MET B1053 -2.929 -3.628 10.731 1.00 0.00 H new ATOM 0 HE3 MET B1053 -4.505 -4.448 10.615 1.00 0.00 H new ATOM 78 N THR B1054 -3.411 -9.252 10.610 1.00 0.00 N ATOM 79 CA THR B1054 -3.642 -10.124 9.462 1.00 0.00 C ATOM 80 C THR B1054 -4.038 -9.296 8.243 1.00 0.00 C ATOM 81 O THR B1054 -4.428 -8.136 8.378 1.00 0.00 O ATOM 82 CB THR B1054 -4.749 -11.133 9.788 1.00 0.00 C ATOM 83 OG1 THR B1054 -5.994 -10.459 9.856 1.00 0.00 O ATOM 84 CG2 THR B1054 -4.458 -11.792 11.133 1.00 0.00 C ATOM 0 H THR B1054 -4.106 -9.332 11.352 1.00 0.00 H new ATOM 0 HA THR B1054 -2.721 -10.663 9.238 1.00 0.00 H new ATOM 0 HB THR B1054 -4.786 -11.895 9.010 1.00 0.00 H new ATOM 0 HG1 THR B1054 -6.704 -11.103 10.063 1.00 0.00 H new ATOM 0 HG21 THR B1054 -5.245 -12.509 11.365 1.00 0.00 H new ATOM 0 HG22 THR B1054 -3.499 -12.308 11.085 1.00 0.00 H new ATOM 0 HG23 THR B1054 -4.421 -11.030 11.911 1.00 0.00 H new ATOM 92 N PRO B1055 -3.934 -9.856 7.066 1.00 0.00 N ATOM 93 CA PRO B1055 -4.287 -9.137 5.804 1.00 0.00 C ATOM 94 C PRO B1055 -5.678 -8.507 5.877 1.00 0.00 C ATOM 95 O PRO B1055 -5.878 -7.367 5.458 1.00 0.00 O ATOM 96 CB PRO B1055 -4.249 -10.247 4.748 1.00 0.00 C ATOM 97 CG PRO B1055 -3.307 -11.266 5.293 1.00 0.00 C ATOM 98 CD PRO B1055 -3.467 -11.229 6.802 1.00 0.00 C ATOM 0 HA PRO B1055 -3.610 -8.309 5.592 1.00 0.00 H new ATOM 0 HB2 PRO B1055 -5.240 -10.672 4.586 1.00 0.00 H new ATOM 0 HB3 PRO B1055 -3.905 -9.866 3.787 1.00 0.00 H new ATOM 0 HG2 PRO B1055 -3.537 -12.257 4.902 1.00 0.00 H new ATOM 0 HG3 PRO B1055 -2.280 -11.040 5.005 1.00 0.00 H new ATOM 0 HD2 PRO B1055 -4.187 -11.971 7.147 1.00 0.00 H new ATOM 0 HD3 PRO B1055 -2.526 -11.437 7.310 1.00 0.00 H new ATOM 106 N GLU B1056 -6.635 -9.254 6.424 1.00 0.00 N ATOM 107 CA GLU B1056 -7.995 -8.747 6.558 1.00 0.00 C ATOM 108 C GLU B1056 -8.036 -7.597 7.556 1.00 0.00 C ATOM 109 O GLU B1056 -8.711 -6.596 7.331 1.00 0.00 O ATOM 110 CB GLU B1056 -8.928 -9.865 7.024 1.00 0.00 C ATOM 111 CG GLU B1056 -9.082 -10.901 5.911 1.00 0.00 C ATOM 112 CD GLU B1056 -9.913 -10.319 4.772 1.00 0.00 C ATOM 113 OE1 GLU B1056 -10.563 -9.311 4.996 1.00 0.00 O ATOM 114 OE2 GLU B1056 -9.888 -10.889 3.695 1.00 0.00 O ATOM 0 H GLU B1056 -6.495 -10.201 6.777 1.00 0.00 H new ATOM 0 HA GLU B1056 -8.327 -8.384 5.585 1.00 0.00 H new ATOM 0 HB2 GLU B1056 -8.527 -10.337 7.921 1.00 0.00 H new ATOM 0 HB3 GLU B1056 -9.902 -9.453 7.289 1.00 0.00 H new ATOM 0 HG2 GLU B1056 -8.101 -11.199 5.541 1.00 0.00 H new ATOM 0 HG3 GLU B1056 -9.562 -11.798 6.301 1.00 0.00 H new ATOM 121 N GLN B1057 -7.301 -7.743 8.653 1.00 0.00 N ATOM 122 CA GLN B1057 -7.267 -6.700 9.670 1.00 0.00 C ATOM 123 C GLN B1057 -6.684 -5.413 9.109 1.00 0.00 C ATOM 124 O GLN B1057 -7.203 -4.325 9.360 1.00 0.00 O ATOM 125 CB GLN B1057 -6.434 -7.159 10.869 1.00 0.00 C ATOM 126 CG GLN B1057 -7.234 -8.168 11.688 1.00 0.00 C ATOM 127 CD GLN B1057 -6.536 -8.418 13.023 1.00 0.00 C ATOM 128 OE1 GLN B1057 -6.180 -9.555 13.338 1.00 0.00 O ATOM 129 NE2 GLN B1057 -6.308 -7.411 13.825 1.00 0.00 N ATOM 0 H GLN B1057 -6.728 -8.562 8.859 1.00 0.00 H new ATOM 0 HA GLN B1057 -8.291 -6.509 9.991 1.00 0.00 H new ATOM 0 HB2 GLN B1057 -5.502 -7.609 10.527 1.00 0.00 H new ATOM 0 HB3 GLN B1057 -6.166 -6.303 11.488 1.00 0.00 H new ATOM 0 HG2 GLN B1057 -8.243 -7.793 11.859 1.00 0.00 H new ATOM 0 HG3 GLN B1057 -7.331 -9.103 11.137 1.00 0.00 H new ATOM 0 HE21 GLN B1057 -6.604 -6.471 13.561 1.00 0.00 H new ATOM 0 HE22 GLN B1057 -5.834 -7.565 14.715 1.00 0.00 H new ATOM 138 N MET B1058 -5.609 -5.542 8.344 1.00 0.00 N ATOM 139 CA MET B1058 -4.976 -4.371 7.760 1.00 0.00 C ATOM 140 C MET B1058 -5.932 -3.673 6.807 1.00 0.00 C ATOM 141 O MET B1058 -6.018 -2.444 6.791 1.00 0.00 O ATOM 142 CB MET B1058 -3.707 -4.778 7.004 1.00 0.00 C ATOM 143 CG MET B1058 -2.631 -5.211 8.003 1.00 0.00 C ATOM 144 SD MET B1058 -1.025 -5.311 7.171 1.00 0.00 S ATOM 145 CE MET B1058 -1.343 -6.796 6.192 1.00 0.00 C ATOM 0 H MET B1058 -5.164 -6.431 8.117 1.00 0.00 H new ATOM 0 HA MET B1058 -4.711 -3.686 8.565 1.00 0.00 H new ATOM 0 HB2 MET B1058 -3.928 -5.594 6.315 1.00 0.00 H new ATOM 0 HB3 MET B1058 -3.345 -3.943 6.404 1.00 0.00 H new ATOM 0 HG2 MET B1058 -2.580 -4.500 8.827 1.00 0.00 H new ATOM 0 HG3 MET B1058 -2.889 -6.179 8.433 1.00 0.00 H new ATOM 0 HE1 MET B1058 -0.482 -7.004 5.557 1.00 0.00 H new ATOM 0 HE2 MET B1058 -1.515 -7.641 6.858 1.00 0.00 H new ATOM 0 HE3 MET B1058 -2.224 -6.640 5.570 1.00 0.00 H new ATOM 155 N ALA B1059 -6.652 -4.461 6.020 1.00 0.00 N ATOM 156 CA ALA B1059 -7.602 -3.895 5.070 1.00 0.00 C ATOM 157 C ALA B1059 -8.743 -3.190 5.794 1.00 0.00 C ATOM 158 O ALA B1059 -9.156 -2.098 5.410 1.00 0.00 O ATOM 159 CB ALA B1059 -8.166 -4.992 4.179 1.00 0.00 C ATOM 0 H ALA B1059 -6.599 -5.480 6.019 1.00 0.00 H new ATOM 0 HA ALA B1059 -7.073 -3.164 4.458 1.00 0.00 H new ATOM 0 HB1 ALA B1059 -8.875 -4.559 3.473 1.00 0.00 H new ATOM 0 HB2 ALA B1059 -7.354 -5.469 3.631 1.00 0.00 H new ATOM 0 HB3 ALA B1059 -8.674 -5.735 4.794 1.00 0.00 H new ATOM 165 N LYS B1060 -9.247 -3.830 6.845 1.00 0.00 N ATOM 166 CA LYS B1060 -10.341 -3.258 7.621 1.00 0.00 C ATOM 167 C LYS B1060 -9.903 -1.970 8.299 1.00 0.00 C ATOM 168 O LYS B1060 -10.653 -0.996 8.334 1.00 0.00 O ATOM 169 CB LYS B1060 -10.814 -4.258 8.676 1.00 0.00 C ATOM 170 CG LYS B1060 -11.540 -5.422 7.997 1.00 0.00 C ATOM 171 CD LYS B1060 -11.993 -6.428 9.058 1.00 0.00 C ATOM 172 CE LYS B1060 -12.725 -7.589 8.381 1.00 0.00 C ATOM 173 NZ LYS B1060 -13.162 -8.570 9.415 1.00 0.00 N ATOM 0 H LYS B1060 -8.919 -4.737 7.176 1.00 0.00 H new ATOM 0 HA LYS B1060 -11.162 -3.034 6.940 1.00 0.00 H new ATOM 0 HB2 LYS B1060 -9.962 -4.631 9.245 1.00 0.00 H new ATOM 0 HB3 LYS B1060 -11.480 -3.766 9.385 1.00 0.00 H new ATOM 0 HG2 LYS B1060 -12.401 -5.052 7.440 1.00 0.00 H new ATOM 0 HG3 LYS B1060 -10.879 -5.907 7.279 1.00 0.00 H new ATOM 0 HD2 LYS B1060 -11.132 -6.801 9.612 1.00 0.00 H new ATOM 0 HD3 LYS B1060 -12.650 -5.941 9.779 1.00 0.00 H new ATOM 0 HE2 LYS B1060 -13.588 -7.217 7.829 1.00 0.00 H new ATOM 0 HE3 LYS B1060 -12.070 -8.074 7.658 1.00 0.00 H new ATOM 0 HZ1 LYS B1060 -13.660 -9.360 8.956 1.00 0.00 H new ATOM 0 HZ2 LYS B1060 -12.330 -8.933 9.923 1.00 0.00 H new ATOM 0 HZ3 LYS B1060 -13.802 -8.102 10.089 1.00 0.00 H new ATOM 187 N GLU B1061 -8.686 -1.961 8.833 1.00 0.00 N ATOM 188 CA GLU B1061 -8.176 -0.777 9.500 1.00 0.00 C ATOM 189 C GLU B1061 -8.093 0.395 8.527 1.00 0.00 C ATOM 190 O GLU B1061 -8.508 1.511 8.849 1.00 0.00 O ATOM 191 CB GLU B1061 -6.791 -1.071 10.074 1.00 0.00 C ATOM 192 CG GLU B1061 -6.923 -1.517 11.533 1.00 0.00 C ATOM 193 CD GLU B1061 -7.785 -2.767 11.628 1.00 0.00 C ATOM 194 OE1 GLU B1061 -8.994 -2.640 11.525 1.00 0.00 O ATOM 195 OE2 GLU B1061 -7.225 -3.836 11.814 1.00 0.00 O ATOM 0 H GLU B1061 -8.043 -2.753 8.816 1.00 0.00 H new ATOM 0 HA GLU B1061 -8.858 -0.509 10.307 1.00 0.00 H new ATOM 0 HB2 GLU B1061 -6.301 -1.849 9.488 1.00 0.00 H new ATOM 0 HB3 GLU B1061 -6.164 -0.182 10.010 1.00 0.00 H new ATOM 0 HG2 GLU B1061 -5.936 -1.715 11.950 1.00 0.00 H new ATOM 0 HG3 GLU B1061 -7.365 -0.717 12.126 1.00 0.00 H new ATOM 202 N MET B1062 -7.561 0.140 7.332 1.00 0.00 N ATOM 203 CA MET B1062 -7.437 1.189 6.333 1.00 0.00 C ATOM 204 C MET B1062 -8.813 1.674 5.895 1.00 0.00 C ATOM 205 O MET B1062 -9.028 2.869 5.696 1.00 0.00 O ATOM 206 CB MET B1062 -6.657 0.666 5.126 1.00 0.00 C ATOM 207 CG MET B1062 -5.193 0.455 5.522 1.00 0.00 C ATOM 208 SD MET B1062 -4.203 0.096 4.048 1.00 0.00 S ATOM 209 CE MET B1062 -4.723 -1.620 3.837 1.00 0.00 C ATOM 0 H MET B1062 -7.214 -0.773 7.039 1.00 0.00 H new ATOM 0 HA MET B1062 -6.898 2.028 6.772 1.00 0.00 H new ATOM 0 HB2 MET B1062 -7.090 -0.272 4.777 1.00 0.00 H new ATOM 0 HB3 MET B1062 -6.724 1.375 4.300 1.00 0.00 H new ATOM 0 HG2 MET B1062 -4.810 1.345 6.020 1.00 0.00 H new ATOM 0 HG3 MET B1062 -5.114 -0.367 6.233 1.00 0.00 H new ATOM 0 HE1 MET B1062 -3.851 -2.272 3.880 1.00 0.00 H new ATOM 0 HE2 MET B1062 -5.418 -1.890 4.632 1.00 0.00 H new ATOM 0 HE3 MET B1062 -5.215 -1.735 2.871 1.00 0.00 H new ATOM 219 N SER B1063 -9.744 0.737 5.747 1.00 0.00 N ATOM 220 CA SER B1063 -11.097 1.082 5.332 1.00 0.00 C ATOM 221 C SER B1063 -11.763 1.984 6.365 1.00 0.00 C ATOM 222 O SER B1063 -12.443 2.947 6.015 1.00 0.00 O ATOM 223 CB SER B1063 -11.925 -0.189 5.149 1.00 0.00 C ATOM 224 OG SER B1063 -11.407 -0.935 4.054 1.00 0.00 O ATOM 0 H SER B1063 -9.588 -0.258 5.907 1.00 0.00 H new ATOM 0 HA SER B1063 -11.041 1.618 4.385 1.00 0.00 H new ATOM 0 HB2 SER B1063 -11.897 -0.789 6.058 1.00 0.00 H new ATOM 0 HB3 SER B1063 -12.969 0.066 4.968 1.00 0.00 H new ATOM 0 HG SER B1063 -10.602 -1.417 4.338 1.00 0.00 H new ATOM 230 N GLU B1064 -11.558 1.668 7.638 1.00 0.00 N ATOM 231 CA GLU B1064 -12.140 2.465 8.709 1.00 0.00 C ATOM 232 C GLU B1064 -11.598 3.889 8.679 1.00 0.00 C ATOM 233 O GLU B1064 -12.341 4.848 8.864 1.00 0.00 O ATOM 234 CB GLU B1064 -11.819 1.830 10.061 1.00 0.00 C ATOM 235 CG GLU B1064 -12.634 0.545 10.237 1.00 0.00 C ATOM 236 CD GLU B1064 -12.186 -0.193 11.494 1.00 0.00 C ATOM 237 OE1 GLU B1064 -11.165 0.183 12.047 1.00 0.00 O ATOM 238 OE2 GLU B1064 -12.869 -1.125 11.885 1.00 0.00 O ATOM 0 H GLU B1064 -10.999 0.874 7.951 1.00 0.00 H new ATOM 0 HA GLU B1064 -13.220 2.497 8.564 1.00 0.00 H new ATOM 0 HB2 GLU B1064 -10.754 1.608 10.125 1.00 0.00 H new ATOM 0 HB3 GLU B1064 -12.047 2.530 10.865 1.00 0.00 H new ATOM 0 HG2 GLU B1064 -13.695 0.785 10.306 1.00 0.00 H new ATOM 0 HG3 GLU B1064 -12.508 -0.097 9.365 1.00 0.00 H new ATOM 559 N LEU B1086 4.016 6.737 -1.963 1.00 0.00 N ATOM 560 CA LEU B1086 3.796 6.103 -0.667 1.00 0.00 C ATOM 561 C LEU B1086 3.424 4.629 -0.842 1.00 0.00 C ATOM 562 O LEU B1086 3.258 3.905 0.139 1.00 0.00 O ATOM 563 CB LEU B1086 2.676 6.829 0.074 1.00 0.00 C ATOM 564 CG LEU B1086 3.059 8.297 0.240 1.00 0.00 C ATOM 565 CD1 LEU B1086 1.849 9.089 0.737 1.00 0.00 C ATOM 566 CD2 LEU B1086 4.194 8.426 1.257 1.00 0.00 C ATOM 0 HA LEU B1086 4.719 6.162 -0.090 1.00 0.00 H new ATOM 0 HB2 LEU B1086 1.741 6.744 -0.480 1.00 0.00 H new ATOM 0 HB3 LEU B1086 2.511 6.371 1.049 1.00 0.00 H new ATOM 0 HG LEU B1086 3.387 8.690 -0.722 1.00 0.00 H new ATOM 0 HD11 LEU B1086 2.124 10.137 0.855 1.00 0.00 H new ATOM 0 HD12 LEU B1086 1.038 9.006 0.014 1.00 0.00 H new ATOM 0 HD13 LEU B1086 1.522 8.689 1.697 1.00 0.00 H new ATOM 0 HD21 LEU B1086 4.463 9.476 1.371 1.00 0.00 H new ATOM 0 HD22 LEU B1086 3.868 8.028 2.218 1.00 0.00 H new ATOM 0 HD23 LEU B1086 5.061 7.865 0.908 1.00 0.00 H new ATOM 578 N SER B1087 3.299 4.187 -2.094 1.00 0.00 N ATOM 579 CA SER B1087 2.954 2.802 -2.376 1.00 0.00 C ATOM 580 C SER B1087 4.056 1.868 -1.886 1.00 0.00 C ATOM 581 O SER B1087 3.841 0.667 -1.733 1.00 0.00 O ATOM 582 CB SER B1087 2.751 2.619 -3.879 1.00 0.00 C ATOM 583 OG SER B1087 3.982 2.846 -4.550 1.00 0.00 O ATOM 0 H SER B1087 3.432 4.768 -2.922 1.00 0.00 H new ATOM 0 HA SER B1087 2.030 2.556 -1.852 1.00 0.00 H new ATOM 0 HB2 SER B1087 2.389 1.612 -4.089 1.00 0.00 H new ATOM 0 HB3 SER B1087 1.992 3.312 -4.242 1.00 0.00 H new ATOM 0 HG SER B1087 3.855 2.728 -5.515 1.00 0.00 H new ATOM 589 N LYS B1088 5.236 2.431 -1.641 1.00 0.00 N ATOM 590 CA LYS B1088 6.365 1.638 -1.169 1.00 0.00 C ATOM 591 C LYS B1088 6.459 1.687 0.356 1.00 0.00 C ATOM 592 O LYS B1088 7.215 0.929 0.964 1.00 0.00 O ATOM 593 CB LYS B1088 7.664 2.163 -1.775 1.00 0.00 C ATOM 594 CG LYS B1088 7.637 1.956 -3.290 1.00 0.00 C ATOM 595 CD LYS B1088 8.845 2.651 -3.923 1.00 0.00 C ATOM 596 CE LYS B1088 10.130 1.964 -3.459 1.00 0.00 C ATOM 597 NZ LYS B1088 11.298 2.576 -4.153 1.00 0.00 N ATOM 0 H LYS B1088 5.434 3.425 -1.760 1.00 0.00 H new ATOM 0 HA LYS B1088 6.210 0.605 -1.480 1.00 0.00 H new ATOM 0 HB2 LYS B1088 7.785 3.221 -1.543 1.00 0.00 H new ATOM 0 HB3 LYS B1088 8.517 1.642 -1.341 1.00 0.00 H new ATOM 0 HG2 LYS B1088 7.654 0.891 -3.522 1.00 0.00 H new ATOM 0 HG3 LYS B1088 6.713 2.358 -3.706 1.00 0.00 H new ATOM 0 HD2 LYS B1088 8.772 2.613 -5.010 1.00 0.00 H new ATOM 0 HD3 LYS B1088 8.861 3.704 -3.641 1.00 0.00 H new ATOM 0 HE2 LYS B1088 10.240 2.066 -2.379 1.00 0.00 H new ATOM 0 HE3 LYS B1088 10.083 0.897 -3.675 1.00 0.00 H new ATOM 0 HZ1 LYS B1088 12.172 2.109 -3.838 1.00 0.00 H new ATOM 0 HZ2 LYS B1088 11.193 2.457 -5.181 1.00 0.00 H new ATOM 0 HZ3 LYS B1088 11.345 3.590 -3.925 1.00 0.00 H new ATOM 611 N TRP B1089 5.688 2.581 0.968 1.00 0.00 N ATOM 612 CA TRP B1089 5.696 2.716 2.418 1.00 0.00 C ATOM 613 C TRP B1089 4.892 1.598 3.067 1.00 0.00 C ATOM 614 O TRP B1089 3.786 1.286 2.634 1.00 0.00 O ATOM 615 CB TRP B1089 5.101 4.069 2.820 1.00 0.00 C ATOM 616 CG TRP B1089 6.102 5.148 2.575 1.00 0.00 C ATOM 617 CD1 TRP B1089 6.902 5.234 1.487 1.00 0.00 C ATOM 618 CD2 TRP B1089 6.430 6.291 3.418 1.00 0.00 C ATOM 619 NE1 TRP B1089 7.700 6.351 1.609 1.00 0.00 N ATOM 620 CE2 TRP B1089 7.447 7.041 2.779 1.00 0.00 C ATOM 621 CE3 TRP B1089 5.952 6.748 4.664 1.00 0.00 C ATOM 622 CZ2 TRP B1089 7.970 8.202 3.349 1.00 0.00 C ATOM 623 CZ3 TRP B1089 6.480 7.919 5.237 1.00 0.00 C ATOM 624 CH2 TRP B1089 7.484 8.643 4.581 1.00 0.00 C ATOM 0 H TRP B1089 5.054 3.218 0.485 1.00 0.00 H new ATOM 0 HA TRP B1089 6.728 2.653 2.762 1.00 0.00 H new ATOM 0 HB2 TRP B1089 4.194 4.263 2.247 1.00 0.00 H new ATOM 0 HB3 TRP B1089 4.817 4.055 3.872 1.00 0.00 H new ATOM 0 HD1 TRP B1089 6.913 4.541 0.659 1.00 0.00 H new ATOM 0 HE1 TRP B1089 8.395 6.635 0.918 1.00 0.00 H new ATOM 0 HE3 TRP B1089 5.179 6.197 5.179 1.00 0.00 H new ATOM 0 HZ2 TRP B1089 8.745 8.756 2.841 1.00 0.00 H new ATOM 0 HZ3 TRP B1089 6.108 8.263 6.191 1.00 0.00 H new ATOM 0 HH2 TRP B1089 7.882 9.542 5.028 1.00 0.00 H new ATOM 635 N LYS B1090 5.454 1.007 4.115 1.00 0.00 N ATOM 636 CA LYS B1090 4.772 -0.071 4.823 1.00 0.00 C ATOM 637 C LYS B1090 3.471 0.416 5.440 1.00 0.00 C ATOM 638 O LYS B1090 3.288 1.614 5.656 1.00 0.00 O ATOM 639 CB LYS B1090 5.677 -0.628 5.922 1.00 0.00 C ATOM 640 CG LYS B1090 6.817 -1.416 5.287 1.00 0.00 C ATOM 641 CD LYS B1090 7.753 -1.926 6.381 1.00 0.00 C ATOM 642 CE LYS B1090 8.892 -2.741 5.754 1.00 0.00 C ATOM 643 NZ LYS B1090 9.816 -3.221 6.825 1.00 0.00 N ATOM 0 H LYS B1090 6.370 1.252 4.491 1.00 0.00 H new ATOM 0 HA LYS B1090 4.542 -0.855 4.101 1.00 0.00 H new ATOM 0 HB2 LYS B1090 6.076 0.186 6.528 1.00 0.00 H new ATOM 0 HB3 LYS B1090 5.104 -1.271 6.590 1.00 0.00 H new ATOM 0 HG2 LYS B1090 6.420 -2.254 4.714 1.00 0.00 H new ATOM 0 HG3 LYS B1090 7.366 -0.784 4.589 1.00 0.00 H new ATOM 0 HD2 LYS B1090 8.161 -1.086 6.943 1.00 0.00 H new ATOM 0 HD3 LYS B1090 7.199 -2.543 7.088 1.00 0.00 H new ATOM 0 HE2 LYS B1090 8.485 -3.590 5.204 1.00 0.00 H new ATOM 0 HE3 LYS B1090 9.438 -2.129 5.037 1.00 0.00 H new ATOM 0 HZ1 LYS B1090 10.587 -3.773 6.397 1.00 0.00 H new ATOM 0 HZ2 LYS B1090 10.215 -2.405 7.331 1.00 0.00 H new ATOM 0 HZ3 LYS B1090 9.291 -3.820 7.494 1.00 0.00 H new ATOM 657 N TYR B1091 2.572 -0.519 5.725 1.00 0.00 N ATOM 658 CA TYR B1091 1.292 -0.174 6.329 1.00 0.00 C ATOM 659 C TYR B1091 1.518 0.573 7.631 1.00 0.00 C ATOM 660 O TYR B1091 0.902 1.608 7.880 1.00 0.00 O ATOM 661 CB TYR B1091 0.477 -1.443 6.590 1.00 0.00 C ATOM 662 CG TYR B1091 -0.690 -1.117 7.492 1.00 0.00 C ATOM 663 CD1 TYR B1091 -1.776 -0.379 7.005 1.00 0.00 C ATOM 664 CD2 TYR B1091 -0.680 -1.552 8.822 1.00 0.00 C ATOM 665 CE1 TYR B1091 -2.850 -0.078 7.852 1.00 0.00 C ATOM 666 CE2 TYR B1091 -1.754 -1.254 9.666 1.00 0.00 C ATOM 667 CZ TYR B1091 -2.838 -0.516 9.183 1.00 0.00 C ATOM 668 OH TYR B1091 -3.895 -0.219 10.016 1.00 0.00 O ATOM 0 H TYR B1091 2.705 -1.515 5.549 1.00 0.00 H new ATOM 0 HA TYR B1091 0.739 0.467 5.643 1.00 0.00 H new ATOM 0 HB2 TYR B1091 0.117 -1.857 5.648 1.00 0.00 H new ATOM 0 HB3 TYR B1091 1.106 -2.203 7.053 1.00 0.00 H new ATOM 0 HD1 TYR B1091 -1.785 -0.043 5.979 1.00 0.00 H new ATOM 0 HD2 TYR B1091 0.159 -2.119 9.197 1.00 0.00 H new ATOM 0 HE1 TYR B1091 -3.688 0.492 7.479 1.00 0.00 H new ATOM 0 HE2 TYR B1091 -1.746 -1.594 10.691 1.00 0.00 H new ATOM 0 HH TYR B1091 -3.555 0.162 10.853 1.00 0.00 H new ATOM 678 N ALA B1092 2.405 0.043 8.460 1.00 0.00 N ATOM 679 CA ALA B1092 2.703 0.680 9.739 1.00 0.00 C ATOM 680 C ALA B1092 3.291 2.072 9.521 1.00 0.00 C ATOM 681 O ALA B1092 2.971 3.014 10.249 1.00 0.00 O ATOM 682 CB ALA B1092 3.689 -0.176 10.537 1.00 0.00 C ATOM 0 H ALA B1092 2.926 -0.815 8.276 1.00 0.00 H new ATOM 0 HA ALA B1092 1.773 0.775 10.300 1.00 0.00 H new ATOM 0 HB1 ALA B1092 3.904 0.309 11.489 1.00 0.00 H new ATOM 0 HB2 ALA B1092 3.253 -1.158 10.720 1.00 0.00 H new ATOM 0 HB3 ALA B1092 4.613 -0.290 9.971 1.00 0.00 H new ATOM 688 N GLU B1093 4.155 2.194 8.517 1.00 0.00 N ATOM 689 CA GLU B1093 4.785 3.473 8.211 1.00 0.00 C ATOM 690 C GLU B1093 3.742 4.499 7.783 1.00 0.00 C ATOM 691 O GLU B1093 3.764 5.640 8.239 1.00 0.00 O ATOM 692 CB GLU B1093 5.817 3.287 7.092 1.00 0.00 C ATOM 693 CG GLU B1093 7.018 2.493 7.611 1.00 0.00 C ATOM 694 CD GLU B1093 7.708 3.262 8.733 1.00 0.00 C ATOM 695 OE1 GLU B1093 7.879 4.461 8.583 1.00 0.00 O ATOM 696 OE2 GLU B1093 8.064 2.641 9.720 1.00 0.00 O ATOM 0 H GLU B1093 4.433 1.427 7.905 1.00 0.00 H new ATOM 0 HA GLU B1093 5.283 3.838 9.109 1.00 0.00 H new ATOM 0 HB2 GLU B1093 5.362 2.765 6.250 1.00 0.00 H new ATOM 0 HB3 GLU B1093 6.145 4.259 6.724 1.00 0.00 H new ATOM 0 HG2 GLU B1093 6.690 1.519 7.975 1.00 0.00 H new ATOM 0 HG3 GLU B1093 7.721 2.310 6.799 1.00 0.00 H new ATOM 703 N LEU B1094 2.817 4.081 6.923 1.00 0.00 N ATOM 704 CA LEU B1094 1.766 4.974 6.464 1.00 0.00 C ATOM 705 C LEU B1094 0.863 5.368 7.619 1.00 0.00 C ATOM 706 O LEU B1094 0.438 6.518 7.716 1.00 0.00 O ATOM 707 CB LEU B1094 0.952 4.296 5.360 1.00 0.00 C ATOM 708 CG LEU B1094 1.780 4.247 4.080 1.00 0.00 C ATOM 709 CD1 LEU B1094 1.129 3.281 3.085 1.00 0.00 C ATOM 710 CD2 LEU B1094 1.826 5.646 3.456 1.00 0.00 C ATOM 0 H LEU B1094 2.776 3.139 6.535 1.00 0.00 H new ATOM 0 HA LEU B1094 2.223 5.878 6.062 1.00 0.00 H new ATOM 0 HB2 LEU B1094 0.673 3.287 5.665 1.00 0.00 H new ATOM 0 HB3 LEU B1094 0.026 4.844 5.187 1.00 0.00 H new ATOM 0 HG LEU B1094 2.789 3.909 4.314 1.00 0.00 H new ATOM 0 HD11 LEU B1094 1.721 3.247 2.171 1.00 0.00 H new ATOM 0 HD12 LEU B1094 1.081 2.284 3.524 1.00 0.00 H new ATOM 0 HD13 LEU B1094 0.121 3.624 2.852 1.00 0.00 H new ATOM 0 HD21 LEU B1094 2.417 5.617 2.540 1.00 0.00 H new ATOM 0 HD22 LEU B1094 0.813 5.974 3.224 1.00 0.00 H new ATOM 0 HD23 LEU B1094 2.281 6.343 4.159 1.00 0.00 H new ATOM 722 N ARG B1095 0.575 4.410 8.493 1.00 0.00 N ATOM 723 CA ARG B1095 -0.282 4.676 9.632 1.00 0.00 C ATOM 724 C ARG B1095 0.333 5.763 10.507 1.00 0.00 C ATOM 725 O ARG B1095 -0.341 6.717 10.901 1.00 0.00 O ATOM 726 CB ARG B1095 -0.462 3.394 10.444 1.00 0.00 C ATOM 727 CG ARG B1095 -1.481 3.639 11.559 1.00 0.00 C ATOM 728 CD ARG B1095 -1.578 2.402 12.441 1.00 0.00 C ATOM 729 NE ARG B1095 -0.354 2.228 13.213 1.00 0.00 N ATOM 730 CZ ARG B1095 -0.126 1.113 13.912 1.00 0.00 C ATOM 731 NH1 ARG B1095 -1.003 0.137 13.922 1.00 0.00 N ATOM 732 NH2 ARG B1095 0.980 0.991 14.594 1.00 0.00 N ATOM 0 H ARG B1095 0.921 3.452 8.432 1.00 0.00 H new ATOM 0 HA ARG B1095 -1.254 5.019 9.278 1.00 0.00 H new ATOM 0 HB2 ARG B1095 -0.801 2.585 9.797 1.00 0.00 H new ATOM 0 HB3 ARG B1095 0.492 3.083 10.870 1.00 0.00 H new ATOM 0 HG2 ARG B1095 -1.183 4.501 12.155 1.00 0.00 H new ATOM 0 HG3 ARG B1095 -2.456 3.870 11.130 1.00 0.00 H new ATOM 0 HD2 ARG B1095 -2.430 2.494 13.115 1.00 0.00 H new ATOM 0 HD3 ARG B1095 -1.754 1.521 11.824 1.00 0.00 H new ATOM 0 HE ARG B1095 0.343 2.973 13.220 1.00 0.00 H new ATOM 0 HH11 ARG B1095 -1.870 0.225 13.392 1.00 0.00 H new ATOM 0 HH12 ARG B1095 -0.818 -0.710 14.460 1.00 0.00 H new ATOM 0 HH21 ARG B1095 1.666 1.746 14.592 1.00 0.00 H new ATOM 0 HH22 ARG B1095 1.158 0.141 15.129 1.00 0.00 H new ATOM 746 N ASP B1096 1.622 5.618 10.796 1.00 0.00 N ATOM 747 CA ASP B1096 2.327 6.596 11.612 1.00 0.00 C ATOM 748 C ASP B1096 2.422 7.924 10.874 1.00 0.00 C ATOM 749 O ASP B1096 2.299 8.986 11.480 1.00 0.00 O ATOM 750 CB ASP B1096 3.729 6.091 11.959 1.00 0.00 C ATOM 751 CG ASP B1096 3.632 4.940 12.957 1.00 0.00 C ATOM 752 OD1 ASP B1096 2.557 4.743 13.501 1.00 0.00 O ATOM 753 OD2 ASP B1096 4.633 4.277 13.165 1.00 0.00 O ATOM 0 H ASP B1096 2.196 4.837 10.479 1.00 0.00 H new ATOM 0 HA ASP B1096 1.769 6.742 12.537 1.00 0.00 H new ATOM 0 HB2 ASP B1096 4.240 5.759 11.055 1.00 0.00 H new ATOM 0 HB3 ASP B1096 4.323 6.901 12.381 1.00 0.00 H new ATOM 758 N THR B1097 2.648 7.862 9.558 1.00 0.00 N ATOM 759 CA THR B1097 2.760 9.072 8.762 1.00 0.00 C ATOM 760 C THR B1097 1.465 9.869 8.808 1.00 0.00 C ATOM 761 O THR B1097 1.487 11.080 8.970 1.00 0.00 O ATOM 762 CB THR B1097 3.085 8.711 7.318 1.00 0.00 C ATOM 763 OG1 THR B1097 4.321 8.013 7.279 1.00 0.00 O ATOM 764 CG2 THR B1097 3.184 9.985 6.479 1.00 0.00 C ATOM 0 H THR B1097 2.755 6.994 9.033 1.00 0.00 H new ATOM 0 HA THR B1097 3.561 9.684 9.176 1.00 0.00 H new ATOM 0 HB THR B1097 2.296 8.078 6.912 1.00 0.00 H new ATOM 0 HG1 THR B1097 4.157 7.052 7.379 1.00 0.00 H new ATOM 0 HG21 THR B1097 3.417 9.724 5.447 1.00 0.00 H new ATOM 0 HG22 THR B1097 2.234 10.518 6.513 1.00 0.00 H new ATOM 0 HG23 THR B1097 3.972 10.623 6.878 1.00 0.00 H new ATOM 772 N ILE B1098 0.339 9.179 8.661 1.00 0.00 N ATOM 773 CA ILE B1098 -0.961 9.845 8.689 1.00 0.00 C ATOM 774 C ILE B1098 -1.204 10.514 10.038 1.00 0.00 C ATOM 775 O ILE B1098 -1.653 11.657 10.106 1.00 0.00 O ATOM 776 CB ILE B1098 -2.070 8.830 8.416 1.00 0.00 C ATOM 777 CG1 ILE B1098 -1.979 8.360 6.966 1.00 0.00 C ATOM 778 CG2 ILE B1098 -3.433 9.479 8.658 1.00 0.00 C ATOM 779 CD1 ILE B1098 -2.892 7.149 6.760 1.00 0.00 C ATOM 0 H ILE B1098 0.298 8.169 8.523 1.00 0.00 H new ATOM 0 HA ILE B1098 -0.966 10.613 7.915 1.00 0.00 H new ATOM 0 HB ILE B1098 -1.954 7.977 9.085 1.00 0.00 H new ATOM 0 HG12 ILE B1098 -2.270 9.166 6.293 1.00 0.00 H new ATOM 0 HG13 ILE B1098 -0.950 8.098 6.722 1.00 0.00 H new ATOM 0 HG21 ILE B1098 -4.222 8.753 8.462 1.00 0.00 H new ATOM 0 HG22 ILE B1098 -3.497 9.815 9.693 1.00 0.00 H new ATOM 0 HG23 ILE B1098 -3.553 10.333 7.991 1.00 0.00 H new ATOM 0 HD11 ILE B1098 -2.826 6.815 5.724 1.00 0.00 H new ATOM 0 HD12 ILE B1098 -2.580 6.341 7.422 1.00 0.00 H new ATOM 0 HD13 ILE B1098 -3.921 7.427 6.986 1.00 0.00 H new ATOM 791 N ASN B1099 -0.905 9.792 11.113 1.00 0.00 N ATOM 792 CA ASN B1099 -1.103 10.328 12.458 1.00 0.00 C ATOM 793 C ASN B1099 -0.247 11.568 12.679 1.00 0.00 C ATOM 794 O ASN B1099 -0.679 12.525 13.320 1.00 0.00 O ATOM 795 CB ASN B1099 -0.739 9.265 13.491 1.00 0.00 C ATOM 796 CG ASN B1099 -1.898 8.289 13.668 1.00 0.00 C ATOM 797 OD1 ASN B1099 -2.546 8.277 14.714 1.00 0.00 O ATOM 798 ND2 ASN B1099 -2.218 7.486 12.689 1.00 0.00 N ATOM 0 H ASN B1099 -0.529 8.844 11.082 1.00 0.00 H new ATOM 0 HA ASN B1099 -2.151 10.607 12.568 1.00 0.00 H new ATOM 0 HB2 ASN B1099 0.154 8.727 13.172 1.00 0.00 H new ATOM 0 HB3 ASN B1099 -0.503 9.738 14.444 1.00 0.00 H new ATOM 0 HD21 ASN B1099 -3.007 6.847 12.790 1.00 0.00 H new ATOM 0 HD22 ASN B1099 -1.679 7.498 11.823 1.00 0.00 H new ATOM 805 N THR B1100 0.968 11.547 12.145 1.00 0.00 N ATOM 806 CA THR B1100 1.874 12.680 12.291 1.00 0.00 C ATOM 807 C THR B1100 1.740 13.644 11.112 1.00 0.00 C ATOM 808 O THR B1100 2.410 14.677 11.069 1.00 0.00 O ATOM 809 CB THR B1100 3.316 12.183 12.381 1.00 0.00 C ATOM 810 OG1 THR B1100 3.656 11.501 11.183 1.00 0.00 O ATOM 811 CG2 THR B1100 3.448 11.229 13.566 1.00 0.00 C ATOM 0 H THR B1100 1.347 10.765 11.611 1.00 0.00 H new ATOM 0 HA THR B1100 1.610 13.211 13.205 1.00 0.00 H new ATOM 0 HB THR B1100 3.988 13.030 12.519 1.00 0.00 H new ATOM 0 HG1 THR B1100 3.278 10.597 11.203 1.00 0.00 H new ATOM 0 HG21 THR B1100 4.476 10.872 13.633 1.00 0.00 H new ATOM 0 HG22 THR B1100 3.185 11.752 14.485 1.00 0.00 H new ATOM 0 HG23 THR B1100 2.778 10.381 13.427 1.00 0.00 H new ATOM 819 N SER B1101 0.882 13.304 10.149 1.00 0.00 N ATOM 820 CA SER B1101 0.690 14.143 8.983 1.00 0.00 C ATOM 821 C SER B1101 0.007 15.445 9.370 1.00 0.00 C ATOM 822 O SER B1101 -1.041 15.447 10.016 1.00 0.00 O ATOM 823 CB SER B1101 -0.163 13.403 7.952 1.00 0.00 C ATOM 824 OG SER B1101 -0.422 14.260 6.851 1.00 0.00 O ATOM 0 H SER B1101 0.315 12.456 10.160 1.00 0.00 H new ATOM 0 HA SER B1101 1.665 14.373 8.554 1.00 0.00 H new ATOM 0 HB2 SER B1101 0.354 12.505 7.614 1.00 0.00 H new ATOM 0 HB3 SER B1101 -1.101 13.080 8.404 1.00 0.00 H new ATOM 0 HG SER B1101 0.274 14.948 6.801 1.00 0.00 H new ATOM 830 N CYS B1102 0.606 16.548 8.957 1.00 0.00 N ATOM 831 CA CYS B1102 0.051 17.864 9.245 1.00 0.00 C ATOM 832 C CYS B1102 -0.410 18.551 7.959 1.00 0.00 C ATOM 833 O CYS B1102 -0.904 19.677 7.994 1.00 0.00 O ATOM 834 CB CYS B1102 1.097 18.734 9.947 1.00 0.00 C ATOM 835 SG CYS B1102 2.375 19.216 8.762 1.00 0.00 S ATOM 0 H CYS B1102 1.475 16.562 8.422 1.00 0.00 H new ATOM 0 HA CYS B1102 -0.810 17.735 9.900 1.00 0.00 H new ATOM 0 HB2 CYS B1102 0.624 19.621 10.369 1.00 0.00 H new ATOM 0 HB3 CYS B1102 1.544 18.186 10.777 1.00 0.00 H new ATOM 0 HG CYS B1102 1.822 19.805 7.743 1.00 0.00 H new ATOM 841 N ASP B1103 -0.247 17.870 6.822 1.00 0.00 N ATOM 842 CA ASP B1103 -0.648 18.432 5.542 1.00 0.00 C ATOM 843 C ASP B1103 -1.790 17.614 4.938 1.00 0.00 C ATOM 844 O ASP B1103 -1.763 16.384 4.964 1.00 0.00 O ATOM 845 CB ASP B1103 0.545 18.432 4.585 1.00 0.00 C ATOM 846 CG ASP B1103 1.567 19.476 5.023 1.00 0.00 C ATOM 847 OD1 ASP B1103 1.215 20.316 5.836 1.00 0.00 O ATOM 848 OD2 ASP B1103 2.686 19.422 4.540 1.00 0.00 O ATOM 0 H ASP B1103 0.158 16.935 6.767 1.00 0.00 H new ATOM 0 HA ASP B1103 -0.991 19.455 5.698 1.00 0.00 H new ATOM 0 HB2 ASP B1103 1.007 17.445 4.567 1.00 0.00 H new ATOM 0 HB3 ASP B1103 0.208 18.645 3.571 1.00 0.00 H new ATOM 853 N ILE B1104 -2.789 18.302 4.393 1.00 0.00 N ATOM 854 CA ILE B1104 -3.922 17.634 3.784 1.00 0.00 C ATOM 855 C ILE B1104 -3.484 16.828 2.563 1.00 0.00 C ATOM 856 O ILE B1104 -4.028 15.758 2.285 1.00 0.00 O ATOM 857 CB ILE B1104 -4.956 18.678 3.363 1.00 0.00 C ATOM 858 CG1 ILE B1104 -6.165 17.964 2.778 1.00 0.00 C ATOM 859 CG2 ILE B1104 -4.353 19.611 2.315 1.00 0.00 C ATOM 860 CD1 ILE B1104 -7.281 18.975 2.505 1.00 0.00 C ATOM 0 H ILE B1104 -2.832 19.321 4.363 1.00 0.00 H new ATOM 0 HA ILE B1104 -4.358 16.949 4.512 1.00 0.00 H new ATOM 0 HB ILE B1104 -5.257 19.268 4.229 1.00 0.00 H new ATOM 0 HG12 ILE B1104 -5.887 17.456 1.854 1.00 0.00 H new ATOM 0 HG13 ILE B1104 -6.516 17.198 3.469 1.00 0.00 H new ATOM 0 HG21 ILE B1104 -5.094 20.353 2.019 1.00 0.00 H new ATOM 0 HG22 ILE B1104 -3.483 20.115 2.735 1.00 0.00 H new ATOM 0 HG23 ILE B1104 -4.051 19.031 1.443 1.00 0.00 H new ATOM 0 HD11 ILE B1104 -8.145 18.459 2.086 1.00 0.00 H new ATOM 0 HD12 ILE B1104 -7.566 19.462 3.437 1.00 0.00 H new ATOM 0 HD13 ILE B1104 -6.928 19.725 1.797 1.00 0.00 H new ATOM 872 N GLU B1105 -2.500 17.348 1.841 1.00 0.00 N ATOM 873 CA GLU B1105 -2.003 16.672 0.650 1.00 0.00 C ATOM 874 C GLU B1105 -1.424 15.310 1.015 1.00 0.00 C ATOM 875 O GLU B1105 -1.692 14.310 0.348 1.00 0.00 O ATOM 876 CB GLU B1105 -0.920 17.528 -0.022 1.00 0.00 C ATOM 877 CG GLU B1105 -1.559 18.767 -0.653 1.00 0.00 C ATOM 878 CD GLU B1105 -0.478 19.716 -1.158 1.00 0.00 C ATOM 879 OE1 GLU B1105 0.670 19.523 -0.793 1.00 0.00 O ATOM 880 OE2 GLU B1105 -0.812 20.623 -1.905 1.00 0.00 O ATOM 0 H GLU B1105 -2.033 18.229 2.057 1.00 0.00 H new ATOM 0 HA GLU B1105 -2.834 16.529 -0.041 1.00 0.00 H new ATOM 0 HB2 GLU B1105 -0.172 17.827 0.712 1.00 0.00 H new ATOM 0 HB3 GLU B1105 -0.403 16.945 -0.785 1.00 0.00 H new ATOM 0 HG2 GLU B1105 -2.208 18.471 -1.477 1.00 0.00 H new ATOM 0 HG3 GLU B1105 -2.186 19.275 0.080 1.00 0.00 H new ATOM 887 N LEU B1106 -0.644 15.272 2.086 1.00 0.00 N ATOM 888 CA LEU B1106 -0.051 14.023 2.529 1.00 0.00 C ATOM 889 C LEU B1106 -1.139 13.052 2.976 1.00 0.00 C ATOM 890 O LEU B1106 -1.072 11.853 2.700 1.00 0.00 O ATOM 891 CB LEU B1106 0.917 14.285 3.687 1.00 0.00 C ATOM 892 CG LEU B1106 1.555 12.967 4.131 1.00 0.00 C ATOM 893 CD1 LEU B1106 2.419 12.408 3.001 1.00 0.00 C ATOM 894 CD2 LEU B1106 2.424 13.216 5.367 1.00 0.00 C ATOM 0 H LEU B1106 -0.410 16.084 2.658 1.00 0.00 H new ATOM 0 HA LEU B1106 0.497 13.581 1.697 1.00 0.00 H new ATOM 0 HB2 LEU B1106 1.690 14.988 3.376 1.00 0.00 H new ATOM 0 HB3 LEU B1106 0.386 14.743 4.522 1.00 0.00 H new ATOM 0 HG LEU B1106 0.773 12.248 4.374 1.00 0.00 H new ATOM 0 HD11 LEU B1106 2.872 11.469 3.320 1.00 0.00 H new ATOM 0 HD12 LEU B1106 1.799 12.231 2.122 1.00 0.00 H new ATOM 0 HD13 LEU B1106 3.203 13.124 2.754 1.00 0.00 H new ATOM 0 HD21 LEU B1106 2.880 12.279 5.686 1.00 0.00 H new ATOM 0 HD22 LEU B1106 3.206 13.935 5.123 1.00 0.00 H new ATOM 0 HD23 LEU B1106 1.806 13.611 6.173 1.00 0.00 H new ATOM 906 N LEU B1107 -2.139 13.577 3.677 1.00 0.00 N ATOM 907 CA LEU B1107 -3.231 12.749 4.180 1.00 0.00 C ATOM 908 C LEU B1107 -3.961 12.097 3.012 1.00 0.00 C ATOM 909 O LEU B1107 -4.292 10.911 3.051 1.00 0.00 O ATOM 910 CB LEU B1107 -4.212 13.622 4.972 1.00 0.00 C ATOM 911 CG LEU B1107 -3.542 14.094 6.266 1.00 0.00 C ATOM 912 CD1 LEU B1107 -4.373 15.215 6.891 1.00 0.00 C ATOM 913 CD2 LEU B1107 -3.444 12.926 7.250 1.00 0.00 C ATOM 0 H LEU B1107 -2.216 14.567 3.909 1.00 0.00 H new ATOM 0 HA LEU B1107 -2.826 11.974 4.830 1.00 0.00 H new ATOM 0 HB2 LEU B1107 -4.517 14.480 4.373 1.00 0.00 H new ATOM 0 HB3 LEU B1107 -5.115 13.057 5.202 1.00 0.00 H new ATOM 0 HG LEU B1107 -2.542 14.463 6.040 1.00 0.00 H new ATOM 0 HD11 LEU B1107 -3.896 15.551 7.812 1.00 0.00 H new ATOM 0 HD12 LEU B1107 -4.442 16.049 6.193 1.00 0.00 H new ATOM 0 HD13 LEU B1107 -5.374 14.845 7.114 1.00 0.00 H new ATOM 0 HD21 LEU B1107 -2.967 13.264 8.170 1.00 0.00 H new ATOM 0 HD22 LEU B1107 -4.444 12.555 7.475 1.00 0.00 H new ATOM 0 HD23 LEU B1107 -2.851 12.126 6.807 1.00 0.00 H new ATOM 925 N ALA B1108 -4.187 12.879 1.965 1.00 0.00 N ATOM 926 CA ALA B1108 -4.855 12.375 0.776 1.00 0.00 C ATOM 927 C ALA B1108 -3.995 11.316 0.093 1.00 0.00 C ATOM 928 O ALA B1108 -4.513 10.352 -0.471 1.00 0.00 O ATOM 929 CB ALA B1108 -5.140 13.522 -0.204 1.00 0.00 C ATOM 0 H ALA B1108 -3.918 13.862 1.916 1.00 0.00 H new ATOM 0 HA ALA B1108 -5.800 11.924 1.079 1.00 0.00 H new ATOM 0 HB1 ALA B1108 -5.640 13.129 -1.089 1.00 0.00 H new ATOM 0 HB2 ALA B1108 -5.781 14.261 0.277 1.00 0.00 H new ATOM 0 HB3 ALA B1108 -4.201 13.992 -0.497 1.00 0.00 H new ATOM 935 N ALA B1109 -2.678 11.507 0.143 1.00 0.00 N ATOM 936 CA ALA B1109 -1.757 10.572 -0.487 1.00 0.00 C ATOM 937 C ALA B1109 -1.855 9.202 0.169 1.00 0.00 C ATOM 938 O ALA B1109 -1.881 8.176 -0.510 1.00 0.00 O ATOM 939 CB ALA B1109 -0.328 11.107 -0.378 1.00 0.00 C ATOM 0 H ALA B1109 -2.230 12.295 0.610 1.00 0.00 H new ATOM 0 HA ALA B1109 -2.024 10.469 -1.539 1.00 0.00 H new ATOM 0 HB1 ALA B1109 0.360 10.406 -0.850 1.00 0.00 H new ATOM 0 HB2 ALA B1109 -0.262 12.073 -0.879 1.00 0.00 H new ATOM 0 HB3 ALA B1109 -0.062 11.224 0.673 1.00 0.00 H new ATOM 945 N CYS B1110 -1.908 9.197 1.494 1.00 0.00 N ATOM 946 CA CYS B1110 -2.004 7.947 2.235 1.00 0.00 C ATOM 947 C CYS B1110 -3.349 7.284 1.975 1.00 0.00 C ATOM 948 O CYS B1110 -3.431 6.065 1.819 1.00 0.00 O ATOM 949 CB CYS B1110 -1.840 8.215 3.728 1.00 0.00 C ATOM 950 SG CYS B1110 -0.146 8.758 4.007 1.00 0.00 S ATOM 0 H CYS B1110 -1.886 10.036 2.073 1.00 0.00 H new ATOM 0 HA CYS B1110 -1.210 7.279 1.901 1.00 0.00 H new ATOM 0 HB2 CYS B1110 -2.545 8.978 4.059 1.00 0.00 H new ATOM 0 HB3 CYS B1110 -2.052 7.314 4.303 1.00 0.00 H new ATOM 0 HG CYS B1110 -0.022 9.999 3.639 1.00 0.00 H new ATOM 956 N ARG B1111 -4.398 8.097 1.926 1.00 0.00 N ATOM 957 CA ARG B1111 -5.739 7.583 1.684 1.00 0.00 C ATOM 958 C ARG B1111 -5.813 6.927 0.311 1.00 0.00 C ATOM 959 O ARG B1111 -6.402 5.857 0.149 1.00 0.00 O ATOM 960 CB ARG B1111 -6.745 8.733 1.760 1.00 0.00 C ATOM 961 CG ARG B1111 -6.886 9.190 3.214 1.00 0.00 C ATOM 962 CD ARG B1111 -7.699 10.479 3.258 1.00 0.00 C ATOM 963 NE ARG B1111 -7.912 10.904 4.638 1.00 0.00 N ATOM 964 CZ ARG B1111 -8.420 12.102 4.926 1.00 0.00 C ATOM 965 NH1 ARG B1111 -8.746 12.939 3.972 1.00 0.00 N ATOM 966 NH2 ARG B1111 -8.597 12.448 6.174 1.00 0.00 N ATOM 0 H ARG B1111 -4.346 9.108 2.050 1.00 0.00 H new ATOM 0 HA ARG B1111 -5.976 6.837 2.442 1.00 0.00 H new ATOM 0 HB2 ARG B1111 -6.413 9.563 1.137 1.00 0.00 H new ATOM 0 HB3 ARG B1111 -7.712 8.411 1.373 1.00 0.00 H new ATOM 0 HG2 ARG B1111 -7.376 8.416 3.805 1.00 0.00 H new ATOM 0 HG3 ARG B1111 -5.902 9.351 3.654 1.00 0.00 H new ATOM 0 HD2 ARG B1111 -7.179 11.262 2.706 1.00 0.00 H new ATOM 0 HD3 ARG B1111 -8.660 10.327 2.766 1.00 0.00 H new ATOM 0 HE ARG B1111 -7.667 10.270 5.399 1.00 0.00 H new ATOM 0 HH11 ARG B1111 -8.612 12.677 2.995 1.00 0.00 H new ATOM 0 HH12 ARG B1111 -9.134 13.853 4.206 1.00 0.00 H new ATOM 0 HH21 ARG B1111 -8.347 11.802 6.923 1.00 0.00 H new ATOM 0 HH22 ARG B1111 -8.985 13.364 6.399 1.00 0.00 H new ATOM 980 N GLU B1112 -5.199 7.571 -0.673 1.00 0.00 N ATOM 981 CA GLU B1112 -5.188 7.038 -2.028 1.00 0.00 C ATOM 982 C GLU B1112 -4.419 5.726 -2.071 1.00 0.00 C ATOM 983 O GLU B1112 -4.831 4.780 -2.741 1.00 0.00 O ATOM 984 CB GLU B1112 -4.536 8.037 -2.981 1.00 0.00 C ATOM 985 CG GLU B1112 -4.611 7.506 -4.417 1.00 0.00 C ATOM 986 CD GLU B1112 -4.010 8.521 -5.385 1.00 0.00 C ATOM 987 OE1 GLU B1112 -3.534 9.544 -4.921 1.00 0.00 O ATOM 988 OE2 GLU B1112 -4.039 8.263 -6.577 1.00 0.00 O ATOM 0 H GLU B1112 -4.706 8.457 -0.560 1.00 0.00 H new ATOM 0 HA GLU B1112 -6.218 6.862 -2.338 1.00 0.00 H new ATOM 0 HB2 GLU B1112 -5.040 9.001 -2.913 1.00 0.00 H new ATOM 0 HB3 GLU B1112 -3.496 8.200 -2.697 1.00 0.00 H new ATOM 0 HG2 GLU B1112 -4.075 6.560 -4.491 1.00 0.00 H new ATOM 0 HG3 GLU B1112 -5.648 7.307 -4.685 1.00 0.00 H new ATOM 995 N GLU B1113 -3.292 5.673 -1.358 1.00 0.00 N ATOM 996 CA GLU B1113 -2.480 4.464 -1.342 1.00 0.00 C ATOM 997 C GLU B1113 -3.273 3.300 -0.753 1.00 0.00 C ATOM 998 O GLU B1113 -3.198 2.172 -1.241 1.00 0.00 O ATOM 999 CB GLU B1113 -1.217 4.708 -0.515 1.00 0.00 C ATOM 1000 CG GLU B1113 -0.123 3.727 -0.943 1.00 0.00 C ATOM 1001 CD GLU B1113 0.168 2.730 0.171 1.00 0.00 C ATOM 1002 OE1 GLU B1113 -0.735 2.437 0.935 1.00 0.00 O ATOM 1003 OE2 GLU B1113 1.297 2.272 0.245 1.00 0.00 O ATOM 0 H GLU B1113 -2.929 6.442 -0.794 1.00 0.00 H new ATOM 0 HA GLU B1113 -2.200 4.210 -2.364 1.00 0.00 H new ATOM 0 HB2 GLU B1113 -0.873 5.733 -0.652 1.00 0.00 H new ATOM 0 HB3 GLU B1113 -1.436 4.584 0.546 1.00 0.00 H new ATOM 0 HG2 GLU B1113 -0.435 3.195 -1.842 1.00 0.00 H new ATOM 0 HG3 GLU B1113 0.785 4.274 -1.195 1.00 0.00 H new ATOM 1010 N PHE B1114 -4.038 3.583 0.291 1.00 0.00 N ATOM 1011 CA PHE B1114 -4.843 2.556 0.940 1.00 0.00 C ATOM 1012 C PHE B1114 -5.914 2.053 -0.001 1.00 0.00 C ATOM 1013 O PHE B1114 -6.178 0.859 -0.057 1.00 0.00 O ATOM 1014 CB PHE B1114 -5.482 3.113 2.218 1.00 0.00 C ATOM 1015 CG PHE B1114 -4.446 3.223 3.326 1.00 0.00 C ATOM 1016 CD1 PHE B1114 -4.843 3.646 4.602 1.00 0.00 C ATOM 1017 CD2 PHE B1114 -3.090 2.915 3.091 1.00 0.00 C ATOM 1018 CE1 PHE B1114 -3.898 3.755 5.629 1.00 0.00 C ATOM 1019 CE2 PHE B1114 -2.154 3.026 4.122 1.00 0.00 C ATOM 1020 CZ PHE B1114 -2.558 3.439 5.388 1.00 0.00 C ATOM 0 H PHE B1114 -4.119 4.511 0.706 1.00 0.00 H new ATOM 0 HA PHE B1114 -4.193 1.722 1.206 1.00 0.00 H new ATOM 0 HB2 PHE B1114 -5.915 4.093 2.018 1.00 0.00 H new ATOM 0 HB3 PHE B1114 -6.297 2.464 2.537 1.00 0.00 H new ATOM 0 HD1 PHE B1114 -5.878 3.888 4.793 1.00 0.00 H new ATOM 0 HD2 PHE B1114 -2.774 2.592 2.110 1.00 0.00 H new ATOM 0 HE1 PHE B1114 -4.205 4.084 6.611 1.00 0.00 H new ATOM 0 HE2 PHE B1114 -1.116 2.791 3.936 1.00 0.00 H new ATOM 0 HZ PHE B1114 -1.834 3.516 6.186 1.00 0.00 H new ATOM 1030 N HIS B1115 -6.515 2.957 -0.752 1.00 0.00 N ATOM 1031 CA HIS B1115 -7.546 2.557 -1.694 1.00 0.00 C ATOM 1032 C HIS B1115 -6.979 1.600 -2.735 1.00 0.00 C ATOM 1033 O HIS B1115 -7.594 0.585 -3.063 1.00 0.00 O ATOM 1034 CB HIS B1115 -8.109 3.795 -2.389 1.00 0.00 C ATOM 1035 CG HIS B1115 -9.092 4.481 -1.483 1.00 0.00 C ATOM 1036 ND1 HIS B1115 -9.062 5.692 -0.838 1.00 0.00 N flip ATOM 1037 CD2 HIS B1115 -10.306 3.904 -1.149 1.00 0.00 C flip ATOM 1038 CE1 HIS B1115 -10.238 5.867 -0.116 1.00 0.00 C flip ATOM 1039 NE2 HIS B1115 -10.952 4.761 -0.337 1.00 0.00 N flip ATOM 0 H HIS B1115 -6.313 3.957 -0.731 1.00 0.00 H new ATOM 0 HA HIS B1115 -8.340 2.047 -1.149 1.00 0.00 H new ATOM 0 HB2 HIS B1115 -7.300 4.478 -2.648 1.00 0.00 H new ATOM 0 HB3 HIS B1115 -8.596 3.510 -3.322 1.00 0.00 H new ATOM 0 HD1 HIS B1115 -8.294 6.362 -0.881 1.00 0.00 H new ATOM 0 HD2 HIS B1115 -10.668 2.942 -1.480 1.00 0.00 H new ATOM 0 HE1 HIS B1115 -10.514 6.715 0.493 1.00 0.00 H new ATOM 1047 N ARG B1116 -5.798 1.926 -3.254 1.00 0.00 N ATOM 1048 CA ARG B1116 -5.160 1.082 -4.257 1.00 0.00 C ATOM 1049 C ARG B1116 -4.755 -0.261 -3.658 1.00 0.00 C ATOM 1050 O ARG B1116 -4.931 -1.310 -4.279 1.00 0.00 O ATOM 1051 CB ARG B1116 -3.924 1.792 -4.815 1.00 0.00 C ATOM 1052 CG ARG B1116 -4.348 3.061 -5.561 1.00 0.00 C ATOM 1053 CD ARG B1116 -5.042 2.682 -6.867 1.00 0.00 C ATOM 1054 NE ARG B1116 -5.318 3.871 -7.662 1.00 0.00 N ATOM 1055 CZ ARG B1116 -5.946 3.787 -8.836 1.00 0.00 C ATOM 1056 NH1 ARG B1116 -6.333 2.626 -9.307 1.00 0.00 N ATOM 1057 NH2 ARG B1116 -6.182 4.871 -9.522 1.00 0.00 N ATOM 0 H ARG B1116 -5.269 2.760 -2.999 1.00 0.00 H new ATOM 0 HA ARG B1116 -5.873 0.900 -5.061 1.00 0.00 H new ATOM 0 HB2 ARG B1116 -3.242 2.047 -4.004 1.00 0.00 H new ATOM 0 HB3 ARG B1116 -3.384 1.126 -5.488 1.00 0.00 H new ATOM 0 HG2 ARG B1116 -5.020 3.653 -4.939 1.00 0.00 H new ATOM 0 HG3 ARG B1116 -3.476 3.681 -5.768 1.00 0.00 H new ATOM 0 HD2 ARG B1116 -4.413 1.996 -7.434 1.00 0.00 H new ATOM 0 HD3 ARG B1116 -5.973 2.157 -6.652 1.00 0.00 H new ATOM 0 HE ARG B1116 -5.026 4.784 -7.315 1.00 0.00 H new ATOM 0 HH11 ARG B1116 -6.155 1.775 -8.774 1.00 0.00 H new ATOM 0 HH12 ARG B1116 -6.812 2.574 -10.206 1.00 0.00 H new ATOM 0 HH21 ARG B1116 -5.887 5.778 -9.160 1.00 0.00 H new ATOM 0 HH22 ARG B1116 -6.662 4.812 -10.420 1.00 0.00 H new ATOM 1071 N ARG B1117 -4.216 -0.217 -2.444 1.00 0.00 N ATOM 1072 CA ARG B1117 -3.800 -1.436 -1.765 1.00 0.00 C ATOM 1073 C ARG B1117 -4.993 -2.333 -1.461 1.00 0.00 C ATOM 1074 O ARG B1117 -4.922 -3.552 -1.614 1.00 0.00 O ATOM 1075 CB ARG B1117 -3.058 -1.093 -0.471 1.00 0.00 C ATOM 1076 CG ARG B1117 -1.655 -0.586 -0.809 1.00 0.00 C ATOM 1077 CD ARG B1117 -0.818 -0.553 0.466 1.00 0.00 C ATOM 1078 NE ARG B1117 0.573 -0.228 0.167 1.00 0.00 N ATOM 1079 CZ ARG B1117 1.551 -0.507 1.026 1.00 0.00 C ATOM 1080 NH1 ARG B1117 1.294 -1.067 2.182 1.00 0.00 N ATOM 1081 NH2 ARG B1117 2.778 -0.211 0.714 1.00 0.00 N ATOM 0 H ARG B1117 -4.059 0.641 -1.916 1.00 0.00 H new ATOM 0 HA ARG B1117 -3.129 -1.979 -2.430 1.00 0.00 H new ATOM 0 HB2 ARG B1117 -3.607 -0.333 0.086 1.00 0.00 H new ATOM 0 HB3 ARG B1117 -2.994 -1.973 0.169 1.00 0.00 H new ATOM 0 HG2 ARG B1117 -1.188 -1.236 -1.549 1.00 0.00 H new ATOM 0 HG3 ARG B1117 -1.710 0.410 -1.249 1.00 0.00 H new ATOM 0 HD2 ARG B1117 -1.228 0.185 1.156 1.00 0.00 H new ATOM 0 HD3 ARG B1117 -0.870 -1.520 0.965 1.00 0.00 H new ATOM 0 HE ARG B1117 0.801 0.223 -0.719 1.00 0.00 H new ATOM 0 HH11 ARG B1117 0.333 -1.296 2.435 1.00 0.00 H new ATOM 0 HH12 ARG B1117 2.055 -1.274 2.829 1.00 0.00 H new ATOM 0 HH21 ARG B1117 2.984 0.231 -0.182 1.00 0.00 H new ATOM 0 HH22 ARG B1117 3.535 -0.421 1.365 1.00 0.00 H new ATOM 1095 N LEU B1118 -6.088 -1.720 -1.031 1.00 0.00 N ATOM 1096 CA LEU B1118 -7.296 -2.465 -0.713 1.00 0.00 C ATOM 1097 C LEU B1118 -7.847 -3.149 -1.958 1.00 0.00 C ATOM 1098 O LEU B1118 -8.290 -4.296 -1.897 1.00 0.00 O ATOM 1099 CB LEU B1118 -8.346 -1.522 -0.124 1.00 0.00 C ATOM 1100 CG LEU B1118 -7.924 -1.095 1.286 1.00 0.00 C ATOM 1101 CD1 LEU B1118 -8.751 0.115 1.723 1.00 0.00 C ATOM 1102 CD2 LEU B1118 -8.179 -2.247 2.260 1.00 0.00 C ATOM 0 H LEU B1118 -6.163 -0.712 -0.895 1.00 0.00 H new ATOM 0 HA LEU B1118 -7.050 -3.232 0.021 1.00 0.00 H new ATOM 0 HB2 LEU B1118 -8.459 -0.645 -0.761 1.00 0.00 H new ATOM 0 HB3 LEU B1118 -9.316 -2.018 -0.089 1.00 0.00 H new ATOM 0 HG LEU B1118 -6.865 -0.836 1.284 1.00 0.00 H new ATOM 0 HD11 LEU B1118 -8.450 0.418 2.726 1.00 0.00 H new ATOM 0 HD12 LEU B1118 -8.584 0.939 1.030 1.00 0.00 H new ATOM 0 HD13 LEU B1118 -9.809 -0.149 1.725 1.00 0.00 H new ATOM 0 HD21 LEU B1118 -7.880 -1.947 3.264 1.00 0.00 H new ATOM 0 HD22 LEU B1118 -9.240 -2.498 2.257 1.00 0.00 H new ATOM 0 HD23 LEU B1118 -7.599 -3.118 1.954 1.00 0.00 H new ATOM 1114 N LYS B1119 -7.818 -2.443 -3.086 1.00 0.00 N ATOM 1115 CA LYS B1119 -8.311 -3.004 -4.331 1.00 0.00 C ATOM 1116 C LYS B1119 -7.495 -4.227 -4.729 1.00 0.00 C ATOM 1117 O LYS B1119 -8.052 -5.250 -5.130 1.00 0.00 O ATOM 1118 CB LYS B1119 -8.223 -1.953 -5.433 1.00 0.00 C ATOM 1119 CG LYS B1119 -8.711 -2.547 -6.758 1.00 0.00 C ATOM 1120 CD LYS B1119 -8.561 -1.511 -7.868 1.00 0.00 C ATOM 1121 CE LYS B1119 -8.491 -2.234 -9.207 1.00 0.00 C ATOM 1122 NZ LYS B1119 -9.837 -2.759 -9.577 1.00 0.00 N ATOM 0 H LYS B1119 -7.461 -1.490 -3.159 1.00 0.00 H new ATOM 0 HA LYS B1119 -9.349 -3.307 -4.191 1.00 0.00 H new ATOM 0 HB2 LYS B1119 -8.827 -1.085 -5.169 1.00 0.00 H new ATOM 0 HB3 LYS B1119 -7.195 -1.607 -5.536 1.00 0.00 H new ATOM 0 HG2 LYS B1119 -8.137 -3.441 -7.001 1.00 0.00 H new ATOM 0 HG3 LYS B1119 -9.754 -2.852 -6.670 1.00 0.00 H new ATOM 0 HD2 LYS B1119 -9.404 -0.820 -7.856 1.00 0.00 H new ATOM 0 HD3 LYS B1119 -7.660 -0.918 -7.712 1.00 0.00 H new ATOM 0 HE2 LYS B1119 -8.133 -1.553 -9.979 1.00 0.00 H new ATOM 0 HE3 LYS B1119 -7.775 -3.054 -9.149 1.00 0.00 H new ATOM 0 HZ1 LYS B1119 -9.779 -3.250 -10.492 1.00 0.00 H new ATOM 0 HZ2 LYS B1119 -10.163 -3.424 -8.847 1.00 0.00 H new ATOM 0 HZ3 LYS B1119 -10.509 -1.969 -9.651 1.00 0.00 H new ATOM 1136 N VAL B1120 -6.174 -4.113 -4.627 1.00 0.00 N ATOM 1137 CA VAL B1120 -5.292 -5.211 -4.994 1.00 0.00 C ATOM 1138 C VAL B1120 -5.568 -6.419 -4.112 1.00 0.00 C ATOM 1139 O VAL B1120 -5.609 -7.553 -4.584 1.00 0.00 O ATOM 1140 CB VAL B1120 -3.832 -4.784 -4.839 1.00 0.00 C ATOM 1141 CG1 VAL B1120 -2.917 -5.992 -5.058 1.00 0.00 C ATOM 1142 CG2 VAL B1120 -3.503 -3.697 -5.864 1.00 0.00 C ATOM 0 H VAL B1120 -5.695 -3.276 -4.295 1.00 0.00 H new ATOM 0 HA VAL B1120 -5.479 -5.478 -6.034 1.00 0.00 H new ATOM 0 HB VAL B1120 -3.676 -4.391 -3.834 1.00 0.00 H new ATOM 0 HG11 VAL B1120 -1.877 -5.685 -4.947 1.00 0.00 H new ATOM 0 HG12 VAL B1120 -3.149 -6.762 -4.322 1.00 0.00 H new ATOM 0 HG13 VAL B1120 -3.073 -6.390 -6.061 1.00 0.00 H new ATOM 0 HG21 VAL B1120 -2.462 -3.394 -5.752 1.00 0.00 H new ATOM 0 HG22 VAL B1120 -3.661 -4.086 -6.870 1.00 0.00 H new ATOM 0 HG23 VAL B1120 -4.151 -2.836 -5.702 1.00 0.00 H new ATOM 1152 N TYR B1121 -5.757 -6.161 -2.824 1.00 0.00 N ATOM 1153 CA TYR B1121 -6.026 -7.234 -1.871 1.00 0.00 C ATOM 1154 C TYR B1121 -7.288 -7.992 -2.268 1.00 0.00 C ATOM 1155 O TYR B1121 -7.307 -9.223 -2.284 1.00 0.00 O ATOM 1156 CB TYR B1121 -6.194 -6.661 -0.463 1.00 0.00 C ATOM 1157 CG TYR B1121 -6.499 -7.780 0.506 1.00 0.00 C ATOM 1158 CD1 TYR B1121 -5.467 -8.605 0.969 1.00 0.00 C ATOM 1159 CD2 TYR B1121 -7.812 -7.990 0.943 1.00 0.00 C ATOM 1160 CE1 TYR B1121 -5.746 -9.641 1.868 1.00 0.00 C ATOM 1161 CE2 TYR B1121 -8.092 -9.026 1.844 1.00 0.00 C ATOM 1162 CZ TYR B1121 -7.059 -9.850 2.306 1.00 0.00 C ATOM 1163 OH TYR B1121 -7.335 -10.872 3.193 1.00 0.00 O ATOM 0 H TYR B1121 -5.730 -5.226 -2.416 1.00 0.00 H new ATOM 0 HA TYR B1121 -5.180 -7.922 -1.879 1.00 0.00 H new ATOM 0 HB2 TYR B1121 -5.285 -6.141 -0.160 1.00 0.00 H new ATOM 0 HB3 TYR B1121 -7.000 -5.927 -0.452 1.00 0.00 H new ATOM 0 HD1 TYR B1121 -4.454 -8.442 0.632 1.00 0.00 H new ATOM 0 HD2 TYR B1121 -8.609 -7.354 0.586 1.00 0.00 H new ATOM 0 HE1 TYR B1121 -4.950 -10.278 2.223 1.00 0.00 H new ATOM 0 HE2 TYR B1121 -9.105 -9.189 2.182 1.00 0.00 H new ATOM 0 HH TYR B1121 -8.302 -11.032 3.218 1.00 0.00 H new ATOM 1173 N HIS B1122 -8.340 -7.245 -2.584 1.00 0.00 N ATOM 1174 CA HIS B1122 -9.605 -7.855 -2.980 1.00 0.00 C ATOM 1175 C HIS B1122 -9.409 -8.716 -4.222 1.00 0.00 C ATOM 1176 O HIS B1122 -9.884 -9.850 -4.283 1.00 0.00 O ATOM 1177 CB HIS B1122 -10.645 -6.771 -3.264 1.00 0.00 C ATOM 1178 CG HIS B1122 -11.938 -7.413 -3.689 1.00 0.00 C ATOM 1179 ND1 HIS B1122 -12.763 -8.072 -2.791 1.00 0.00 N ATOM 1180 CD2 HIS B1122 -12.563 -7.503 -4.908 1.00 0.00 C ATOM 1181 CE1 HIS B1122 -13.828 -8.526 -3.478 1.00 0.00 C ATOM 1182 NE2 HIS B1122 -13.755 -8.206 -4.773 1.00 0.00 N ATOM 0 H HIS B1122 -8.344 -6.225 -2.574 1.00 0.00 H new ATOM 0 HA HIS B1122 -9.958 -8.484 -2.163 1.00 0.00 H new ATOM 0 HB2 HIS B1122 -10.804 -6.163 -2.373 1.00 0.00 H new ATOM 0 HB3 HIS B1122 -10.285 -6.103 -4.046 1.00 0.00 H new ATOM 0 HD2 HIS B1122 -12.186 -7.090 -5.832 1.00 0.00 H new ATOM 0 HE1 HIS B1122 -14.642 -9.081 -3.036 1.00 0.00 H new ATOM 0 HE2 HIS B1122 -14.429 -8.429 -5.505 1.00 0.00 H new ATOM 1190 N ALA B1123 -8.706 -8.175 -5.214 1.00 0.00 N ATOM 1191 CA ALA B1123 -8.457 -8.916 -6.442 1.00 0.00 C ATOM 1192 C ALA B1123 -7.660 -10.191 -6.150 1.00 0.00 C ATOM 1193 O ALA B1123 -7.964 -11.254 -6.680 1.00 0.00 O ATOM 1194 CB ALA B1123 -7.682 -8.040 -7.426 1.00 0.00 C ATOM 0 H ALA B1123 -8.304 -7.238 -5.191 1.00 0.00 H new ATOM 0 HA ALA B1123 -9.416 -9.196 -6.879 1.00 0.00 H new ATOM 0 HB1 ALA B1123 -7.498 -8.599 -8.344 1.00 0.00 H new ATOM 0 HB2 ALA B1123 -8.264 -7.148 -7.655 1.00 0.00 H new ATOM 0 HB3 ALA B1123 -6.730 -7.748 -6.982 1.00 0.00 H new ATOM 1200 N TRP B1124 -6.639 -10.086 -5.299 1.00 0.00 N ATOM 1201 CA TRP B1124 -5.832 -11.239 -4.955 1.00 0.00 C ATOM 1202 C TRP B1124 -6.683 -12.310 -4.287 1.00 0.00 C ATOM 1203 O TRP B1124 -6.581 -13.492 -4.615 1.00 0.00 O ATOM 1204 CB TRP B1124 -4.702 -10.802 -4.029 1.00 0.00 C ATOM 1205 CG TRP B1124 -3.930 -11.998 -3.601 1.00 0.00 C ATOM 1206 CD1 TRP B1124 -3.004 -12.613 -4.351 1.00 0.00 C ATOM 1207 CD2 TRP B1124 -3.990 -12.719 -2.341 1.00 0.00 C ATOM 1208 NE1 TRP B1124 -2.489 -13.689 -3.640 1.00 0.00 N ATOM 1209 CE2 TRP B1124 -3.070 -13.791 -2.389 1.00 0.00 C ATOM 1210 CE3 TRP B1124 -4.755 -12.548 -1.179 1.00 0.00 C ATOM 1211 CZ2 TRP B1124 -2.911 -14.664 -1.309 1.00 0.00 C ATOM 1212 CZ3 TRP B1124 -4.598 -13.421 -0.091 1.00 0.00 C ATOM 1213 CH2 TRP B1124 -3.679 -14.478 -0.157 1.00 0.00 C ATOM 0 H TRP B1124 -6.359 -9.218 -4.842 1.00 0.00 H new ATOM 0 HA TRP B1124 -5.410 -11.665 -5.865 1.00 0.00 H new ATOM 0 HB2 TRP B1124 -4.048 -10.097 -4.542 1.00 0.00 H new ATOM 0 HB3 TRP B1124 -5.108 -10.286 -3.159 1.00 0.00 H new ATOM 0 HD1 TRP B1124 -2.707 -12.319 -5.347 1.00 0.00 H new ATOM 0 HE1 TRP B1124 -1.773 -14.323 -3.995 1.00 0.00 H new ATOM 0 HE3 TRP B1124 -5.469 -11.740 -1.120 1.00 0.00 H new ATOM 0 HZ2 TRP B1124 -2.200 -15.475 -1.365 1.00 0.00 H new ATOM 0 HZ3 TRP B1124 -5.188 -13.278 0.802 1.00 0.00 H new ATOM 0 HH2 TRP B1124 -3.565 -15.148 0.682 1.00 0.00 H new ATOM 1224 N LYS B1125 -7.520 -11.887 -3.346 1.00 0.00 N ATOM 1225 CA LYS B1125 -8.390 -12.817 -2.634 1.00 0.00 C ATOM 1226 C LYS B1125 -9.350 -13.503 -3.585 1.00 0.00 C ATOM 1227 O LYS B1125 -9.605 -14.697 -3.461 1.00 0.00 O ATOM 1228 CB LYS B1125 -9.180 -12.073 -1.553 1.00 0.00 C ATOM 1229 CG LYS B1125 -8.293 -11.835 -0.331 1.00 0.00 C ATOM 1230 CD LYS B1125 -8.127 -13.152 0.426 1.00 0.00 C ATOM 1231 CE LYS B1125 -9.113 -13.203 1.594 1.00 0.00 C ATOM 1232 NZ LYS B1125 -8.972 -14.501 2.313 1.00 0.00 N ATOM 0 H LYS B1125 -7.615 -10.913 -3.060 1.00 0.00 H new ATOM 0 HA LYS B1125 -7.763 -13.578 -2.169 1.00 0.00 H new ATOM 0 HB2 LYS B1125 -9.539 -11.121 -1.943 1.00 0.00 H new ATOM 0 HB3 LYS B1125 -10.058 -12.653 -1.268 1.00 0.00 H new ATOM 0 HG2 LYS B1125 -7.320 -11.453 -0.640 1.00 0.00 H new ATOM 0 HG3 LYS B1125 -8.740 -11.081 0.318 1.00 0.00 H new ATOM 0 HD2 LYS B1125 -8.300 -13.993 -0.246 1.00 0.00 H new ATOM 0 HD3 LYS B1125 -7.106 -13.244 0.795 1.00 0.00 H new ATOM 0 HE2 LYS B1125 -8.925 -12.375 2.278 1.00 0.00 H new ATOM 0 HE3 LYS B1125 -10.133 -13.088 1.227 1.00 0.00 H new ATOM 0 HZ1 LYS B1125 -9.643 -14.533 3.107 1.00 0.00 H new ATOM 0 HZ2 LYS B1125 -9.172 -15.284 1.658 1.00 0.00 H new ATOM 0 HZ3 LYS B1125 -8.002 -14.593 2.676 1.00 0.00 H new ATOM 1246 N SER B1126 -9.874 -12.742 -4.526 1.00 0.00 N ATOM 1247 CA SER B1126 -10.807 -13.292 -5.501 1.00 0.00 C ATOM 1248 C SER B1126 -10.111 -14.326 -6.378 1.00 0.00 C ATOM 1249 O SER B1126 -10.706 -15.321 -6.768 1.00 0.00 O ATOM 1250 CB SER B1126 -11.377 -12.178 -6.383 1.00 0.00 C ATOM 1251 OG SER B1126 -10.354 -11.669 -7.225 1.00 0.00 O ATOM 0 H SER B1126 -9.674 -11.748 -4.639 1.00 0.00 H new ATOM 0 HA SER B1126 -11.622 -13.772 -4.959 1.00 0.00 H new ATOM 0 HB2 SER B1126 -12.200 -12.562 -6.985 1.00 0.00 H new ATOM 0 HB3 SER B1126 -11.782 -11.379 -5.762 1.00 0.00 H new ATOM 0 HG SER B1126 -9.478 -11.894 -6.848 1.00 0.00 H new ATOM 1382 N GLU A 47 0.603 -18.032 0.344 1.00 0.00 N ATOM 1383 CA GLU A 47 -0.512 -17.164 -0.010 1.00 0.00 C ATOM 1384 C GLU A 47 -0.660 -16.030 1.004 1.00 0.00 C ATOM 1385 O GLU A 47 -0.894 -14.878 0.635 1.00 0.00 O ATOM 1386 CB GLU A 47 -1.806 -17.978 -0.044 1.00 0.00 C ATOM 1387 CG GLU A 47 -1.779 -18.933 -1.239 1.00 0.00 C ATOM 1388 CD GLU A 47 -2.993 -19.858 -1.199 1.00 0.00 C ATOM 1389 OE1 GLU A 47 -3.644 -19.906 -0.168 1.00 0.00 O ATOM 1390 OE2 GLU A 47 -3.256 -20.501 -2.202 1.00 0.00 O ATOM 0 HA GLU A 47 -0.315 -16.735 -0.992 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.918 -18.541 0.882 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.665 -17.311 -0.117 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.776 -18.364 -2.169 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.862 -19.522 -1.223 1.00 0.00 H new ATOM 1397 N ASN A 48 -0.513 -16.364 2.279 1.00 0.00 N ATOM 1398 CA ASN A 48 -0.635 -15.366 3.332 1.00 0.00 C ATOM 1399 C ASN A 48 0.430 -14.290 3.161 1.00 0.00 C ATOM 1400 O ASN A 48 0.173 -13.105 3.376 1.00 0.00 O ATOM 1401 CB ASN A 48 -0.482 -16.031 4.704 1.00 0.00 C ATOM 1402 CG ASN A 48 -1.685 -16.929 4.981 1.00 0.00 C ATOM 1403 OD1 ASN A 48 -1.520 -18.095 5.342 1.00 0.00 O ATOM 1404 ND2 ASN A 48 -2.891 -16.459 4.821 1.00 0.00 N ATOM 0 H ASN A 48 -0.311 -17.309 2.607 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.620 -14.905 3.265 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.436 -16.618 4.733 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.399 -15.270 5.480 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.699 -17.057 4.995 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.026 -15.493 4.522 1.00 0.00 H new ATOM 1411 N ASP A 49 1.626 -14.710 2.771 1.00 0.00 N ATOM 1412 CA ASP A 49 2.725 -13.771 2.572 1.00 0.00 C ATOM 1413 C ASP A 49 2.391 -12.794 1.452 1.00 0.00 C ATOM 1414 O ASP A 49 2.673 -11.599 1.552 1.00 0.00 O ATOM 1415 CB ASP A 49 4.011 -14.529 2.229 1.00 0.00 C ATOM 1416 CG ASP A 49 5.191 -13.563 2.174 1.00 0.00 C ATOM 1417 OD1 ASP A 49 4.963 -12.369 2.293 1.00 0.00 O ATOM 1418 OD2 ASP A 49 6.307 -14.031 2.011 1.00 0.00 O ATOM 0 H ASP A 49 1.860 -15.686 2.587 1.00 0.00 H new ATOM 0 HA ASP A 49 2.874 -13.213 3.496 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.197 -15.301 2.976 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.900 -15.034 1.270 1.00 0.00 H new ATOM 1423 N GLU A 50 1.796 -13.308 0.379 1.00 0.00 N ATOM 1424 CA GLU A 50 1.433 -12.465 -0.754 1.00 0.00 C ATOM 1425 C GLU A 50 0.420 -11.399 -0.333 1.00 0.00 C ATOM 1426 O GLU A 50 0.530 -10.233 -0.721 1.00 0.00 O ATOM 1427 CB GLU A 50 0.830 -13.324 -1.870 1.00 0.00 C ATOM 1428 CG GLU A 50 1.923 -14.196 -2.492 1.00 0.00 C ATOM 1429 CD GLU A 50 1.309 -15.153 -3.507 1.00 0.00 C ATOM 1430 OE1 GLU A 50 0.092 -15.223 -3.567 1.00 0.00 O ATOM 1431 OE2 GLU A 50 2.065 -15.804 -4.210 1.00 0.00 O ATOM 0 H GLU A 50 1.557 -14.294 0.271 1.00 0.00 H new ATOM 0 HA GLU A 50 2.335 -11.971 -1.116 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.033 -13.951 -1.470 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.381 -12.686 -2.632 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.669 -13.567 -2.977 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.438 -14.759 -1.714 1.00 0.00 H new ATOM 1438 N ALA A 51 -0.560 -11.803 0.468 1.00 0.00 N ATOM 1439 CA ALA A 51 -1.578 -10.869 0.935 1.00 0.00 C ATOM 1440 C ALA A 51 -0.944 -9.781 1.795 1.00 0.00 C ATOM 1441 O ALA A 51 -1.302 -8.607 1.693 1.00 0.00 O ATOM 1442 CB ALA A 51 -2.644 -11.612 1.737 1.00 0.00 C ATOM 0 H ALA A 51 -0.671 -12.760 0.804 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.047 -10.403 0.068 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.399 -10.905 2.081 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.114 -12.367 1.106 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.181 -12.095 2.597 1.00 0.00 H new ATOM 1448 N PHE A 52 0.006 -10.176 2.636 1.00 0.00 N ATOM 1449 CA PHE A 52 0.686 -9.222 3.499 1.00 0.00 C ATOM 1450 C PHE A 52 1.401 -8.172 2.667 1.00 0.00 C ATOM 1451 O PHE A 52 1.335 -6.984 2.968 1.00 0.00 O ATOM 1452 CB PHE A 52 1.699 -9.943 4.390 1.00 0.00 C ATOM 1453 CG PHE A 52 1.077 -10.249 5.732 1.00 0.00 C ATOM 1454 CD1 PHE A 52 0.637 -11.544 6.025 1.00 0.00 C ATOM 1455 CD2 PHE A 52 0.940 -9.229 6.684 1.00 0.00 C ATOM 1456 CE1 PHE A 52 0.064 -11.821 7.270 1.00 0.00 C ATOM 1457 CE2 PHE A 52 0.368 -9.507 7.930 1.00 0.00 C ATOM 1458 CZ PHE A 52 -0.071 -10.803 8.223 1.00 0.00 C ATOM 0 H PHE A 52 0.319 -11.141 2.737 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.061 -8.734 4.125 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.025 -10.866 3.911 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.585 -9.323 4.523 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.740 -12.329 5.290 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.276 -8.228 6.455 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.275 -12.821 7.497 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.265 -8.722 8.665 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.514 -11.019 9.184 1.00 0.00 H new ATOM 1468 N ALA A 53 2.076 -8.616 1.612 1.00 0.00 N ATOM 1469 CA ALA A 53 2.795 -7.694 0.739 1.00 0.00 C ATOM 1470 C ALA A 53 1.834 -6.698 0.101 1.00 0.00 C ATOM 1471 O ALA A 53 2.146 -5.520 -0.037 1.00 0.00 O ATOM 1472 CB ALA A 53 3.524 -8.473 -0.354 1.00 0.00 C ATOM 0 H ALA A 53 2.141 -9.598 1.342 1.00 0.00 H new ATOM 0 HA ALA A 53 3.520 -7.146 1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.058 -7.778 -1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.234 -9.162 0.103 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.800 -9.035 -0.944 1.00 0.00 H new ATOM 1478 N ILE A 54 0.662 -7.175 -0.291 1.00 0.00 N ATOM 1479 CA ILE A 54 -0.327 -6.307 -0.913 1.00 0.00 C ATOM 1480 C ILE A 54 -0.726 -5.174 0.025 1.00 0.00 C ATOM 1481 O ILE A 54 -0.893 -4.032 -0.401 1.00 0.00 O ATOM 1482 CB ILE A 54 -1.563 -7.123 -1.281 1.00 0.00 C ATOM 1483 CG1 ILE A 54 -1.225 -8.086 -2.419 1.00 0.00 C ATOM 1484 CG2 ILE A 54 -2.674 -6.182 -1.731 1.00 0.00 C ATOM 1485 CD1 ILE A 54 -2.371 -9.081 -2.604 1.00 0.00 C ATOM 0 H ILE A 54 0.374 -8.148 -0.191 1.00 0.00 H new ATOM 0 HA ILE A 54 0.112 -5.873 -1.811 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.892 -7.692 -0.411 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.059 -7.531 -3.342 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.300 -8.618 -2.197 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.558 -6.763 -1.994 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.919 -5.495 -0.921 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.340 -5.614 -2.600 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.129 -9.767 -3.416 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.515 -9.645 -1.683 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.286 -8.541 -2.846 1.00 0.00 H new ATOM 1497 N LEU A 55 -0.890 -5.498 1.299 1.00 0.00 N ATOM 1498 CA LEU A 55 -1.285 -4.496 2.283 1.00 0.00 C ATOM 1499 C LEU A 55 -0.090 -4.060 3.132 1.00 0.00 C ATOM 1500 O LEU A 55 -0.257 -3.641 4.277 1.00 0.00 O ATOM 1501 CB LEU A 55 -2.379 -5.066 3.181 1.00 0.00 C ATOM 1502 CG LEU A 55 -3.555 -5.530 2.314 1.00 0.00 C ATOM 1503 CD1 LEU A 55 -4.619 -6.179 3.199 1.00 0.00 C ATOM 1504 CD2 LEU A 55 -4.167 -4.328 1.588 1.00 0.00 C ATOM 0 H LEU A 55 -0.758 -6.437 1.675 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.663 -3.621 1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.989 -5.901 3.763 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.712 -4.310 3.892 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.196 -6.254 1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.455 -6.508 2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.189 -7.037 3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.973 -5.455 3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.003 -4.661 0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.522 -3.603 2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.412 -3.863 0.954 1.00 0.00 H new ATOM 1516 N ASP A 56 1.111 -4.150 2.566 1.00 0.00 N ATOM 1517 CA ASP A 56 2.313 -3.748 3.291 1.00 0.00 C ATOM 1518 C ASP A 56 3.370 -3.233 2.324 1.00 0.00 C ATOM 1519 O ASP A 56 3.766 -2.072 2.379 1.00 0.00 O ATOM 1520 CB ASP A 56 2.876 -4.936 4.070 1.00 0.00 C ATOM 1521 CG ASP A 56 3.862 -4.452 5.123 1.00 0.00 C ATOM 1522 OD1 ASP A 56 3.773 -3.296 5.505 1.00 0.00 O ATOM 1523 OD2 ASP A 56 4.696 -5.241 5.531 1.00 0.00 O ATOM 0 H ASP A 56 1.277 -4.493 1.620 1.00 0.00 H new ATOM 0 HA ASP A 56 2.046 -2.951 3.985 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.064 -5.486 4.546 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.371 -5.627 3.387 1.00 0.00 H new ATOM 1528 N GLY A 57 3.815 -4.103 1.430 1.00 0.00 N ATOM 1529 CA GLY A 57 4.821 -3.717 0.446 1.00 0.00 C ATOM 1530 C GLY A 57 4.168 -3.117 -0.804 1.00 0.00 C ATOM 1531 O GLY A 57 4.859 -2.675 -1.722 1.00 0.00 O ATOM 0 H GLY A 57 3.501 -5.071 1.363 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.505 -2.992 0.886 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.415 -4.588 0.168 1.00 0.00 H new ATOM 1535 N GLY A 58 2.836 -3.113 -0.839 1.00 0.00 N ATOM 1536 CA GLY A 58 2.108 -2.576 -1.980 1.00 0.00 C ATOM 1537 C GLY A 58 2.294 -3.473 -3.195 1.00 0.00 C ATOM 1538 O GLY A 58 2.102 -3.040 -4.331 1.00 0.00 O ATOM 0 H GLY A 58 2.244 -3.475 -0.092 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.048 -2.495 -1.738 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.462 -1.570 -2.205 1.00 0.00 H new ATOM 1542 N ALA A 59 2.683 -4.721 -2.954 1.00 0.00 N ATOM 1543 CA ALA A 59 2.909 -5.653 -4.048 1.00 0.00 C ATOM 1544 C ALA A 59 1.588 -6.145 -4.636 1.00 0.00 C ATOM 1545 O ALA A 59 0.553 -6.088 -3.984 1.00 0.00 O ATOM 1546 CB ALA A 59 3.711 -6.853 -3.562 1.00 0.00 C ATOM 0 H ALA A 59 2.846 -5.105 -2.023 1.00 0.00 H new ATOM 0 HA ALA A 59 3.466 -5.124 -4.822 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.873 -7.542 -4.391 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.673 -6.516 -3.177 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.161 -7.361 -2.770 1.00 0.00 H new ATOM 1552 N PRO A 60 1.600 -6.629 -5.849 1.00 0.00 N ATOM 1553 CA PRO A 60 0.370 -7.151 -6.519 1.00 0.00 C ATOM 1554 C PRO A 60 -0.241 -8.334 -5.770 1.00 0.00 C ATOM 1555 O PRO A 60 -1.463 -8.463 -5.681 1.00 0.00 O ATOM 1556 CB PRO A 60 0.865 -7.582 -7.905 1.00 0.00 C ATOM 1557 CG PRO A 60 2.150 -6.854 -8.102 1.00 0.00 C ATOM 1558 CD PRO A 60 2.775 -6.744 -6.727 1.00 0.00 C ATOM 0 HA PRO A 60 -0.421 -6.402 -6.556 1.00 0.00 H new ATOM 0 HB2 PRO A 60 1.012 -8.661 -7.953 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.143 -7.324 -8.679 1.00 0.00 H new ATOM 0 HG2 PRO A 60 2.804 -7.393 -8.787 1.00 0.00 H new ATOM 0 HG3 PRO A 60 1.979 -5.868 -8.534 1.00 0.00 H new ATOM 0 HD2 PRO A 60 3.378 -7.619 -6.485 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.428 -5.875 -6.647 1.00 0.00 H new ATOM 1566 N GLY A 61 0.619 -9.199 -5.243 1.00 0.00 N ATOM 1567 CA GLY A 61 0.158 -10.375 -4.514 1.00 0.00 C ATOM 1568 C GLY A 61 1.031 -11.587 -4.825 1.00 0.00 C ATOM 1569 O GLY A 61 0.488 -12.582 -5.280 1.00 0.00 O ATOM 1570 OXT GLY A 61 2.228 -11.504 -4.603 1.00 0.00 O ATOM 0 H GLY A 61 1.633 -9.109 -5.306 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.177 -10.174 -3.443 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.877 -10.590 -4.780 1.00 0.00 H new