USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 658 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 17 HIS : no HE2:sc= -16.9! C(o=-17!,f=-24!) USER MOD Set 1.2: A 30 TYR OH : rot 150:sc= 0.319 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -1.54 K(o=-1.5,f=-5.4!) USER MOD Single : A 9 GLN : amide:sc= -0.0841 K(o=-0.084,f=-1.4!) USER MOD Single : A 12 SER OG : rot 180:sc= -1.55! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.152 K(o=-0.15,f=-5.1!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00859) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.101 USER MOD Single : A 33 ASN : amide:sc= -3.2! C(o=-3.2!,f=-7.4!) USER MOD Single : A 40 CYS SG : rot 153:sc= -7.12! USER MOD Single : A 42 THR OG1 : rot -145:sc= 2.04 USER MOD Single : A 47 TYR OH : rot -14:sc= -3.28! USER MOD Single : A 55 GLN : amide:sc= -0.0849 K(o=-0.085,f=-2.3!) USER MOD Single : A 58 GLN : amide:sc=-0.00308 K(o=-0.0031,f=-2.4) USER MOD Single : A 59 SER OG : rot 151:sc= -4.51! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -4.86! C(o=-4.9!,f=-7.8!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot -86:sc= -1.5 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -66:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 25 N LYS A 2 -5.196 4.017 8.962 1.00 0.00 N ATOM 26 CA LYS A 2 -3.892 4.680 8.685 1.00 0.00 C ATOM 27 C LYS A 2 -2.889 3.647 8.175 1.00 0.00 C ATOM 28 O LYS A 2 -2.869 2.513 8.611 1.00 0.00 O ATOM 29 CB LYS A 2 -3.349 5.312 9.965 1.00 0.00 C ATOM 30 CG LYS A 2 -3.235 6.826 9.781 1.00 0.00 C ATOM 31 CD LYS A 2 -2.146 7.372 10.707 1.00 0.00 C ATOM 32 CE LYS A 2 -0.768 7.074 10.112 1.00 0.00 C ATOM 33 NZ LYS A 2 0.280 7.747 10.930 1.00 0.00 N ATOM 0 HA LYS A 2 -4.041 5.453 7.931 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -4.009 5.086 10.803 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -2.373 4.890 10.205 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.996 7.060 8.744 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -4.189 7.303 10.004 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.272 8.447 10.838 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.233 6.918 11.694 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.594 5.998 10.091 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.721 7.425 9.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.217 7.546 10.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.116 8.774 10.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.239 7.392 11.907 1.00 0.00 H new ATOM 47 N ALA A 3 -2.052 4.037 7.258 1.00 0.00 N ATOM 48 CA ALA A 3 -1.041 3.088 6.718 1.00 0.00 C ATOM 49 C ALA A 3 0.340 3.747 6.734 1.00 0.00 C ATOM 50 O ALA A 3 0.470 4.946 6.597 1.00 0.00 O ATOM 51 CB ALA A 3 -1.409 2.707 5.282 1.00 0.00 C ATOM 0 H ALA A 3 -2.024 4.975 6.858 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.022 2.191 7.337 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.667 2.012 4.889 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.391 2.234 5.271 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.431 3.603 4.662 1.00 0.00 H new ATOM 57 N VAL A 4 1.372 2.967 6.904 1.00 0.00 N ATOM 58 CA VAL A 4 2.748 3.536 6.932 1.00 0.00 C ATOM 59 C VAL A 4 3.706 2.558 6.253 1.00 0.00 C ATOM 60 O VAL A 4 3.916 1.457 6.722 1.00 0.00 O ATOM 61 CB VAL A 4 3.178 3.746 8.385 1.00 0.00 C ATOM 62 CG1 VAL A 4 4.590 4.337 8.422 1.00 0.00 C ATOM 63 CG2 VAL A 4 2.199 4.705 9.069 1.00 0.00 C ATOM 0 H VAL A 4 1.320 1.956 7.025 1.00 0.00 H new ATOM 0 HA VAL A 4 2.765 4.491 6.407 1.00 0.00 H new ATOM 0 HB VAL A 4 3.176 2.790 8.909 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.895 4.486 9.458 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.284 3.652 7.934 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.598 5.294 7.900 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.502 4.857 10.105 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.201 5.661 8.546 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.196 4.280 9.043 1.00 0.00 H new ATOM 73 N ILE A 5 4.285 2.942 5.149 1.00 0.00 N ATOM 74 CA ILE A 5 5.222 2.016 4.449 1.00 0.00 C ATOM 75 C ILE A 5 6.660 2.331 4.858 1.00 0.00 C ATOM 76 O ILE A 5 7.296 3.212 4.319 1.00 0.00 O ATOM 77 CB ILE A 5 5.071 2.174 2.939 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.569 2.102 2.582 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.867 1.060 2.247 1.00 0.00 C ATOM 80 CD1 ILE A 5 3.302 1.087 1.461 1.00 0.00 C ATOM 0 H ILE A 5 4.152 3.850 4.703 1.00 0.00 H new ATOM 0 HA ILE A 5 4.986 0.989 4.728 1.00 0.00 H new ATOM 0 HB ILE A 5 5.459 3.135 2.602 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.997 1.826 3.468 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.221 3.087 2.272 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.768 1.160 1.166 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.918 1.138 2.524 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.481 0.089 2.558 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.235 1.064 1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.854 1.378 0.567 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.627 0.097 1.782 1.00 0.00 H new ATOM 92 N ASN A 6 7.178 1.610 5.809 1.00 0.00 N ATOM 93 CA ASN A 6 8.569 1.856 6.262 1.00 0.00 C ATOM 94 C ASN A 6 9.547 1.201 5.283 1.00 0.00 C ATOM 95 O ASN A 6 9.768 0.006 5.319 1.00 0.00 O ATOM 96 CB ASN A 6 8.741 1.249 7.652 1.00 0.00 C ATOM 97 CG ASN A 6 7.779 1.929 8.629 1.00 0.00 C ATOM 98 OD1 ASN A 6 6.581 1.915 8.428 1.00 0.00 O ATOM 99 ND2 ASN A 6 8.256 2.527 9.686 1.00 0.00 N ATOM 0 H ASN A 6 6.693 0.856 6.295 1.00 0.00 H new ATOM 0 HA ASN A 6 8.770 2.927 6.299 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.545 0.177 7.619 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.769 1.375 7.991 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.623 2.983 10.343 1.00 0.00 H new ATOM 0 HD22 ASN A 6 9.262 2.539 9.855 1.00 0.00 H new ATOM 106 N GLY A 7 10.132 1.971 4.403 1.00 0.00 N ATOM 107 CA GLY A 7 11.090 1.388 3.421 1.00 0.00 C ATOM 108 C GLY A 7 12.322 0.854 4.153 1.00 0.00 C ATOM 109 O GLY A 7 13.087 0.078 3.615 1.00 0.00 O ATOM 0 H GLY A 7 9.987 2.977 4.323 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.610 0.584 2.864 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.387 2.145 2.695 1.00 0.00 H new ATOM 113 N GLU A 8 12.525 1.264 5.375 1.00 0.00 N ATOM 114 CA GLU A 8 13.711 0.779 6.135 1.00 0.00 C ATOM 115 C GLU A 8 13.496 -0.679 6.549 1.00 0.00 C ATOM 116 O GLU A 8 14.435 -1.409 6.794 1.00 0.00 O ATOM 117 CB GLU A 8 13.901 1.638 7.387 1.00 0.00 C ATOM 118 CG GLU A 8 14.185 3.084 6.978 1.00 0.00 C ATOM 119 CD GLU A 8 15.187 3.703 7.954 1.00 0.00 C ATOM 120 OE1 GLU A 8 14.753 4.217 8.972 1.00 0.00 O ATOM 121 OE2 GLU A 8 16.372 3.654 7.667 1.00 0.00 O ATOM 0 H GLU A 8 11.921 1.913 5.879 1.00 0.00 H new ATOM 0 HA GLU A 8 14.597 0.850 5.504 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.007 1.594 8.010 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.725 1.250 7.985 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.583 3.115 5.964 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.260 3.661 6.975 1.00 0.00 H new ATOM 128 N GLN A 9 12.266 -1.106 6.638 1.00 0.00 N ATOM 129 CA GLN A 9 11.993 -2.510 7.048 1.00 0.00 C ATOM 130 C GLN A 9 11.738 -3.380 5.815 1.00 0.00 C ATOM 131 O GLN A 9 12.241 -4.480 5.706 1.00 0.00 O ATOM 132 CB GLN A 9 10.758 -2.530 7.948 1.00 0.00 C ATOM 133 CG GLN A 9 11.023 -1.681 9.192 1.00 0.00 C ATOM 134 CD GLN A 9 11.970 -2.432 10.130 1.00 0.00 C ATOM 135 OE1 GLN A 9 11.918 -3.642 10.224 1.00 0.00 O ATOM 136 NE2 GLN A 9 12.840 -1.761 10.834 1.00 0.00 N ATOM 0 H GLN A 9 11.439 -0.542 6.444 1.00 0.00 H new ATOM 0 HA GLN A 9 12.856 -2.905 7.585 1.00 0.00 H new ATOM 0 HB2 GLN A 9 9.894 -2.143 7.407 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.521 -3.554 8.237 1.00 0.00 H new ATOM 0 HG2 GLN A 9 11.460 -0.724 8.906 1.00 0.00 H new ATOM 0 HG3 GLN A 9 10.085 -1.463 9.703 1.00 0.00 H new ATOM 0 HE21 GLN A 9 12.885 -0.745 10.756 1.00 0.00 H new ATOM 0 HE22 GLN A 9 13.476 -2.253 11.462 1.00 0.00 H new ATOM 145 N ILE A 10 10.948 -2.903 4.895 1.00 0.00 N ATOM 146 CA ILE A 10 10.646 -3.707 3.678 1.00 0.00 C ATOM 147 C ILE A 10 11.910 -4.388 3.160 1.00 0.00 C ATOM 148 O ILE A 10 12.897 -3.751 2.851 1.00 0.00 O ATOM 149 CB ILE A 10 10.079 -2.805 2.583 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.669 -2.374 2.971 1.00 0.00 C ATOM 151 CG2 ILE A 10 10.024 -3.579 1.263 1.00 0.00 C ATOM 152 CD1 ILE A 10 7.748 -3.588 2.952 1.00 0.00 C ATOM 0 H ILE A 10 10.497 -1.989 4.933 1.00 0.00 H new ATOM 0 HA ILE A 10 9.912 -4.468 3.944 1.00 0.00 H new ATOM 0 HB ILE A 10 10.715 -1.928 2.465 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.674 -1.923 3.963 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.304 -1.616 2.278 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.620 -2.936 0.481 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.029 -3.899 0.987 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.384 -4.454 1.381 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.739 -3.283 3.229 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.735 -4.019 1.951 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.111 -4.331 3.662 1.00 0.00 H new ATOM 164 N ARG A 11 11.874 -5.684 3.055 1.00 0.00 N ATOM 165 CA ARG A 11 13.049 -6.433 2.548 1.00 0.00 C ATOM 166 C ARG A 11 12.707 -7.050 1.188 1.00 0.00 C ATOM 167 O ARG A 11 13.549 -7.629 0.531 1.00 0.00 O ATOM 168 CB ARG A 11 13.395 -7.540 3.539 1.00 0.00 C ATOM 169 CG ARG A 11 14.312 -6.975 4.621 1.00 0.00 C ATOM 170 CD ARG A 11 15.645 -6.565 3.992 1.00 0.00 C ATOM 171 NE ARG A 11 16.773 -7.068 4.828 1.00 0.00 N ATOM 172 CZ ARG A 11 16.677 -7.069 6.130 1.00 0.00 C ATOM 173 NH1 ARG A 11 16.789 -5.950 6.792 1.00 0.00 N ATOM 174 NH2 ARG A 11 16.470 -8.188 6.769 1.00 0.00 N ATOM 0 H ARG A 11 11.070 -6.261 3.302 1.00 0.00 H new ATOM 0 HA ARG A 11 13.900 -5.761 2.436 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.486 -7.940 3.988 1.00 0.00 H new ATOM 0 HB3 ARG A 11 13.886 -8.366 3.024 1.00 0.00 H new ATOM 0 HG2 ARG A 11 13.843 -6.115 5.099 1.00 0.00 H new ATOM 0 HG3 ARG A 11 14.478 -7.720 5.399 1.00 0.00 H new ATOM 0 HD2 ARG A 11 15.721 -6.968 2.982 1.00 0.00 H new ATOM 0 HD3 ARG A 11 15.699 -5.480 3.907 1.00 0.00 H new ATOM 0 HE ARG A 11 17.623 -7.412 4.381 1.00 0.00 H new ATOM 0 HH11 ARG A 11 16.951 -5.076 6.292 1.00 0.00 H new ATOM 0 HH12 ARG A 11 16.714 -5.950 7.809 1.00 0.00 H new ATOM 0 HH21 ARG A 11 16.383 -9.062 6.251 1.00 0.00 H new ATOM 0 HH22 ARG A 11 16.395 -8.188 7.786 1.00 0.00 H new ATOM 188 N SER A 12 11.476 -6.933 0.761 1.00 0.00 N ATOM 189 CA SER A 12 11.086 -7.516 -0.555 1.00 0.00 C ATOM 190 C SER A 12 9.616 -7.195 -0.850 1.00 0.00 C ATOM 191 O SER A 12 8.899 -6.680 -0.012 1.00 0.00 O ATOM 192 CB SER A 12 11.275 -9.033 -0.515 1.00 0.00 C ATOM 193 OG SER A 12 11.776 -9.410 0.761 1.00 0.00 O ATOM 0 H SER A 12 10.727 -6.460 1.266 1.00 0.00 H new ATOM 0 HA SER A 12 11.713 -7.088 -1.337 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.327 -9.534 -0.709 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.967 -9.346 -1.297 1.00 0.00 H new ATOM 0 HG SER A 12 11.897 -10.382 0.791 1.00 0.00 H new ATOM 199 N ILE A 13 9.163 -7.498 -2.038 1.00 0.00 N ATOM 200 CA ILE A 13 7.742 -7.214 -2.390 1.00 0.00 C ATOM 201 C ILE A 13 6.826 -7.819 -1.324 1.00 0.00 C ATOM 202 O ILE A 13 5.938 -7.165 -0.814 1.00 0.00 O ATOM 203 CB ILE A 13 7.418 -7.835 -3.749 1.00 0.00 C ATOM 204 CG1 ILE A 13 5.966 -7.527 -4.118 1.00 0.00 C ATOM 205 CG2 ILE A 13 7.609 -9.347 -3.667 1.00 0.00 C ATOM 206 CD1 ILE A 13 5.711 -6.025 -3.983 1.00 0.00 C ATOM 0 H ILE A 13 9.716 -7.930 -2.779 1.00 0.00 H new ATOM 0 HA ILE A 13 7.587 -6.136 -2.438 1.00 0.00 H new ATOM 0 HB ILE A 13 8.081 -7.420 -4.508 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.763 -7.850 -5.139 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.289 -8.081 -3.468 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.379 -9.796 -4.633 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.642 -9.569 -3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.942 -9.757 -2.909 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.676 -5.807 -4.246 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.897 -5.715 -2.955 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.378 -5.481 -4.652 1.00 0.00 H new ATOM 218 N SER A 14 7.039 -9.060 -0.972 1.00 0.00 N ATOM 219 CA SER A 14 6.183 -9.686 0.070 1.00 0.00 C ATOM 220 C SER A 14 6.127 -8.741 1.262 1.00 0.00 C ATOM 221 O SER A 14 5.082 -8.483 1.822 1.00 0.00 O ATOM 222 CB SER A 14 6.796 -11.015 0.501 1.00 0.00 C ATOM 223 OG SER A 14 6.636 -11.968 -0.542 1.00 0.00 O ATOM 0 H SER A 14 7.765 -9.662 -1.360 1.00 0.00 H new ATOM 0 HA SER A 14 5.181 -9.868 -0.318 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.854 -10.883 0.729 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.315 -11.372 1.412 1.00 0.00 H new ATOM 0 HG SER A 14 7.031 -12.822 -0.268 1.00 0.00 H new ATOM 229 N ASP A 15 7.256 -8.214 1.639 1.00 0.00 N ATOM 230 CA ASP A 15 7.301 -7.268 2.777 1.00 0.00 C ATOM 231 C ASP A 15 6.394 -6.079 2.479 1.00 0.00 C ATOM 232 O ASP A 15 5.663 -5.614 3.326 1.00 0.00 O ATOM 233 CB ASP A 15 8.731 -6.767 2.958 1.00 0.00 C ATOM 234 CG ASP A 15 9.224 -7.123 4.361 1.00 0.00 C ATOM 235 OD1 ASP A 15 9.508 -8.287 4.591 1.00 0.00 O ATOM 236 OD2 ASP A 15 9.308 -6.225 5.183 1.00 0.00 O ATOM 0 H ASP A 15 8.157 -8.403 1.200 1.00 0.00 H new ATOM 0 HA ASP A 15 6.966 -7.771 3.684 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.382 -7.216 2.208 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.771 -5.688 2.810 1.00 0.00 H new ATOM 241 N LEU A 16 6.440 -5.585 1.275 1.00 0.00 N ATOM 242 CA LEU A 16 5.583 -4.424 0.909 1.00 0.00 C ATOM 243 C LEU A 16 4.129 -4.774 1.216 1.00 0.00 C ATOM 244 O LEU A 16 3.434 -4.072 1.930 1.00 0.00 O ATOM 245 CB LEU A 16 5.750 -4.150 -0.588 1.00 0.00 C ATOM 246 CG LEU A 16 5.194 -2.769 -0.943 1.00 0.00 C ATOM 247 CD1 LEU A 16 5.699 -1.735 0.064 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.667 -2.384 -2.348 1.00 0.00 C ATOM 0 H LEU A 16 7.036 -5.936 0.526 1.00 0.00 H new ATOM 0 HA LEU A 16 5.869 -3.538 1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.804 -4.205 -0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.232 -4.917 -1.164 1.00 0.00 H new ATOM 0 HG LEU A 16 4.105 -2.796 -0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.301 -0.753 -0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.368 -2.011 1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.788 -1.703 0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.274 -1.401 -2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.756 -2.357 -2.371 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.307 -3.120 -3.067 1.00 0.00 H new ATOM 260 N HIS A 17 3.678 -5.872 0.689 1.00 0.00 N ATOM 261 CA HIS A 17 2.286 -6.315 0.935 1.00 0.00 C ATOM 262 C HIS A 17 2.140 -6.692 2.409 1.00 0.00 C ATOM 263 O HIS A 17 1.051 -6.757 2.941 1.00 0.00 O ATOM 264 CB HIS A 17 2.004 -7.534 0.058 1.00 0.00 C ATOM 265 CG HIS A 17 2.393 -7.226 -1.361 1.00 0.00 C ATOM 266 ND1 HIS A 17 1.721 -6.283 -2.123 1.00 0.00 N ATOM 267 CD2 HIS A 17 3.383 -7.725 -2.170 1.00 0.00 C ATOM 268 CE1 HIS A 17 2.310 -6.244 -3.332 1.00 0.00 C ATOM 269 NE2 HIS A 17 3.329 -7.104 -3.414 1.00 0.00 N ATOM 0 H HIS A 17 4.224 -6.490 0.089 1.00 0.00 H new ATOM 0 HA HIS A 17 1.581 -5.519 0.695 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.564 -8.395 0.422 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.947 -7.796 0.109 1.00 0.00 H new ATOM 0 HD1 HIS A 17 0.925 -5.721 -1.822 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.096 -8.484 -1.884 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.997 -5.597 -4.138 1.00 0.00 H new ATOM 277 N GLN A 18 3.237 -6.940 3.071 1.00 0.00 N ATOM 278 CA GLN A 18 3.179 -7.312 4.503 1.00 0.00 C ATOM 279 C GLN A 18 2.741 -6.100 5.319 1.00 0.00 C ATOM 280 O GLN A 18 1.778 -6.151 6.056 1.00 0.00 O ATOM 281 CB GLN A 18 4.563 -7.769 4.969 1.00 0.00 C ATOM 282 CG GLN A 18 4.412 -8.756 6.127 1.00 0.00 C ATOM 283 CD GLN A 18 5.689 -9.588 6.259 1.00 0.00 C ATOM 284 OE1 GLN A 18 6.550 -9.540 5.403 1.00 0.00 O ATOM 285 NE2 GLN A 18 5.849 -10.354 7.303 1.00 0.00 N ATOM 0 H GLN A 18 4.175 -6.899 2.673 1.00 0.00 H new ATOM 0 HA GLN A 18 2.465 -8.124 4.642 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.099 -8.239 4.144 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.154 -6.909 5.285 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.219 -8.217 7.055 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.557 -9.409 5.953 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.126 -10.394 8.022 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.697 -10.913 7.401 1.00 0.00 H new ATOM 294 N THR A 19 3.443 -5.008 5.193 1.00 0.00 N ATOM 295 CA THR A 19 3.068 -3.799 5.957 1.00 0.00 C ATOM 296 C THR A 19 1.710 -3.307 5.446 1.00 0.00 C ATOM 297 O THR A 19 0.853 -2.926 6.211 1.00 0.00 O ATOM 298 CB THR A 19 4.166 -2.723 5.793 1.00 0.00 C ATOM 299 OG1 THR A 19 4.718 -2.431 7.068 1.00 0.00 O ATOM 300 CG2 THR A 19 3.597 -1.429 5.198 1.00 0.00 C ATOM 0 H THR A 19 4.260 -4.907 4.591 1.00 0.00 H new ATOM 0 HA THR A 19 2.982 -4.021 7.021 1.00 0.00 H new ATOM 0 HB THR A 19 4.927 -3.111 5.116 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.417 -1.750 6.974 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.395 -0.694 5.096 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.168 -1.637 4.218 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.823 -1.035 5.857 1.00 0.00 H new ATOM 308 N LEU A 20 1.507 -3.323 4.158 1.00 0.00 N ATOM 309 CA LEU A 20 0.206 -2.872 3.611 1.00 0.00 C ATOM 310 C LEU A 20 -0.906 -3.732 4.215 1.00 0.00 C ATOM 311 O LEU A 20 -1.992 -3.278 4.480 1.00 0.00 O ATOM 312 CB LEU A 20 0.212 -3.056 2.095 1.00 0.00 C ATOM 313 CG LEU A 20 1.099 -1.994 1.439 1.00 0.00 C ATOM 314 CD1 LEU A 20 1.007 -2.134 -0.079 1.00 0.00 C ATOM 315 CD2 LEU A 20 0.627 -0.595 1.853 1.00 0.00 C ATOM 0 H LEU A 20 2.188 -3.630 3.464 1.00 0.00 H new ATOM 0 HA LEU A 20 0.041 -1.822 3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.577 -4.052 1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.804 -2.982 1.708 1.00 0.00 H new ATOM 0 HG LEU A 20 2.131 -2.133 1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.636 -1.381 -0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.346 -3.127 -0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.027 -1.994 -0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.261 0.157 1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.405 -0.450 1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.689 -0.496 2.937 1.00 0.00 H new ATOM 327 N LYS A 21 -0.625 -4.980 4.420 1.00 0.00 N ATOM 328 CA LYS A 21 -1.635 -5.915 4.995 1.00 0.00 C ATOM 329 C LYS A 21 -1.860 -5.608 6.476 1.00 0.00 C ATOM 330 O LYS A 21 -2.968 -5.641 6.961 1.00 0.00 O ATOM 331 CB LYS A 21 -1.121 -7.347 4.858 1.00 0.00 C ATOM 332 CG LYS A 21 -2.284 -8.329 5.015 1.00 0.00 C ATOM 333 CD LYS A 21 -1.899 -9.419 6.017 1.00 0.00 C ATOM 334 CE LYS A 21 -1.432 -10.665 5.262 1.00 0.00 C ATOM 335 NZ LYS A 21 -0.018 -10.482 4.827 1.00 0.00 N ATOM 0 H LYS A 21 0.278 -5.406 4.211 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.577 -5.796 4.459 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.647 -7.482 3.886 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.361 -7.545 5.614 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.175 -7.803 5.358 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.529 -8.776 4.052 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.106 -9.060 6.674 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.752 -9.663 6.650 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.516 -11.544 5.902 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.070 -10.839 4.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.316 -11.348 4.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.040 -9.684 4.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.578 -10.286 5.657 1.00 0.00 H new ATOM 349 N LYS A 22 -0.819 -5.318 7.203 1.00 0.00 N ATOM 350 CA LYS A 22 -0.985 -5.017 8.646 1.00 0.00 C ATOM 351 C LYS A 22 -1.825 -3.754 8.795 1.00 0.00 C ATOM 352 O LYS A 22 -2.824 -3.725 9.486 1.00 0.00 O ATOM 353 CB LYS A 22 0.386 -4.777 9.269 1.00 0.00 C ATOM 354 CG LYS A 22 1.086 -6.117 9.506 1.00 0.00 C ATOM 355 CD LYS A 22 0.630 -6.702 10.845 1.00 0.00 C ATOM 356 CE LYS A 22 1.734 -7.594 11.415 1.00 0.00 C ATOM 357 NZ LYS A 22 1.275 -9.012 11.420 1.00 0.00 N ATOM 0 H LYS A 22 0.140 -5.277 6.858 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.476 -5.853 9.144 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.990 -4.151 8.612 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.279 -4.240 10.211 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.853 -6.809 8.697 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.167 -5.979 9.507 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.399 -5.899 11.545 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.285 -7.279 10.709 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.640 -7.496 10.817 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.985 -7.278 12.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.026 -9.619 11.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.422 -9.099 12.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.057 -9.310 10.448 1.00 0.00 H new ATOM 371 N GLU A 23 -1.413 -2.713 8.140 1.00 0.00 N ATOM 372 CA GLU A 23 -2.142 -1.431 8.200 1.00 0.00 C ATOM 373 C GLU A 23 -3.549 -1.634 7.651 1.00 0.00 C ATOM 374 O GLU A 23 -4.538 -1.473 8.338 1.00 0.00 O ATOM 375 CB GLU A 23 -1.390 -0.431 7.328 1.00 0.00 C ATOM 376 CG GLU A 23 -0.036 -0.123 7.968 1.00 0.00 C ATOM 377 CD GLU A 23 -0.220 0.895 9.095 1.00 0.00 C ATOM 378 OE1 GLU A 23 -0.869 0.558 10.071 1.00 0.00 O ATOM 379 OE2 GLU A 23 0.293 1.994 8.963 1.00 0.00 O ATOM 0 H GLU A 23 -0.580 -2.700 7.552 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.209 -1.066 9.225 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.248 -0.838 6.327 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.971 0.485 7.220 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.409 -1.038 8.360 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.651 0.270 7.218 1.00 0.00 H new ATOM 386 N LEU A 24 -3.626 -1.996 6.409 1.00 0.00 N ATOM 387 CA LEU A 24 -4.935 -2.235 5.757 1.00 0.00 C ATOM 388 C LEU A 24 -5.648 -3.395 6.454 1.00 0.00 C ATOM 389 O LEU A 24 -6.816 -3.644 6.229 1.00 0.00 O ATOM 390 CB LEU A 24 -4.676 -2.594 4.296 1.00 0.00 C ATOM 391 CG LEU A 24 -3.960 -1.429 3.611 1.00 0.00 C ATOM 392 CD1 LEU A 24 -2.991 -1.971 2.560 1.00 0.00 C ATOM 393 CD2 LEU A 24 -4.990 -0.522 2.937 1.00 0.00 C ATOM 0 H LEU A 24 -2.818 -2.140 5.804 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.562 -1.346 5.823 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.069 -3.497 4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.617 -2.807 3.789 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.405 -0.857 4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.481 -1.140 2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.256 -2.616 3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.544 -2.544 1.816 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.480 0.308 2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.547 -1.093 2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.679 -0.134 3.687 1.00 0.00 H new ATOM 405 N ALA A 25 -4.955 -4.111 7.297 1.00 0.00 N ATOM 406 CA ALA A 25 -5.588 -5.253 8.003 1.00 0.00 C ATOM 407 C ALA A 25 -6.248 -6.182 6.983 1.00 0.00 C ATOM 408 O ALA A 25 -7.387 -6.576 7.131 1.00 0.00 O ATOM 409 CB ALA A 25 -6.630 -4.714 8.974 1.00 0.00 C ATOM 0 H ALA A 25 -3.974 -3.951 7.526 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.835 -5.816 8.554 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.102 -5.544 9.499 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.148 -4.055 9.696 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.387 -4.156 8.423 1.00 0.00 H new ATOM 415 N LEU A 26 -5.532 -6.539 5.952 1.00 0.00 N ATOM 416 CA LEU A 26 -6.105 -7.449 4.922 1.00 0.00 C ATOM 417 C LEU A 26 -6.142 -8.875 5.480 1.00 0.00 C ATOM 418 O LEU A 26 -5.443 -9.184 6.425 1.00 0.00 O ATOM 419 CB LEU A 26 -5.227 -7.404 3.667 1.00 0.00 C ATOM 420 CG LEU A 26 -4.930 -5.947 3.307 1.00 0.00 C ATOM 421 CD1 LEU A 26 -3.883 -5.896 2.198 1.00 0.00 C ATOM 422 CD2 LEU A 26 -6.213 -5.267 2.827 1.00 0.00 C ATOM 0 H LEU A 26 -4.573 -6.239 5.779 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.117 -7.134 4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.296 -7.944 3.841 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.733 -7.899 2.838 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.551 -5.428 4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.673 -4.857 1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.967 -6.378 2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.260 -6.416 1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.001 -4.229 2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.594 -5.787 1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.960 -5.299 3.620 1.00 0.00 H new ATOM 434 N PRO A 27 -6.960 -9.703 4.882 1.00 0.00 N ATOM 435 CA PRO A 27 -7.105 -11.105 5.313 1.00 0.00 C ATOM 436 C PRO A 27 -5.762 -11.830 5.208 1.00 0.00 C ATOM 437 O PRO A 27 -4.761 -11.252 4.833 1.00 0.00 O ATOM 438 CB PRO A 27 -8.124 -11.711 4.340 1.00 0.00 C ATOM 439 CG PRO A 27 -8.584 -10.586 3.377 1.00 0.00 C ATOM 440 CD PRO A 27 -7.799 -9.315 3.734 1.00 0.00 C ATOM 0 HA PRO A 27 -7.430 -11.191 6.350 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.677 -12.533 3.781 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.975 -12.121 4.884 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.400 -10.871 2.341 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.656 -10.414 3.475 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.190 -8.977 2.895 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.469 -8.495 3.993 1.00 0.00 H new ATOM 448 N GLU A 28 -5.733 -13.094 5.529 1.00 0.00 N ATOM 449 CA GLU A 28 -4.455 -13.852 5.438 1.00 0.00 C ATOM 450 C GLU A 28 -4.209 -14.227 3.978 1.00 0.00 C ATOM 451 O GLU A 28 -3.118 -14.599 3.594 1.00 0.00 O ATOM 452 CB GLU A 28 -4.554 -15.124 6.278 1.00 0.00 C ATOM 453 CG GLU A 28 -4.076 -14.835 7.702 1.00 0.00 C ATOM 454 CD GLU A 28 -3.165 -15.969 8.176 1.00 0.00 C ATOM 455 OE1 GLU A 28 -2.317 -16.384 7.403 1.00 0.00 O ATOM 456 OE2 GLU A 28 -3.332 -16.405 9.303 1.00 0.00 O ATOM 0 H GLU A 28 -6.537 -13.633 5.850 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.634 -13.239 5.810 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.583 -15.482 6.294 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.949 -15.914 5.833 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.539 -13.887 7.731 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.931 -14.738 8.371 1.00 0.00 H new ATOM 463 N TYR A 29 -5.219 -14.121 3.161 1.00 0.00 N ATOM 464 CA TYR A 29 -5.049 -14.458 1.721 1.00 0.00 C ATOM 465 C TYR A 29 -4.796 -13.172 0.935 1.00 0.00 C ATOM 466 O TYR A 29 -4.830 -13.159 -0.279 1.00 0.00 O ATOM 467 CB TYR A 29 -6.311 -15.149 1.186 1.00 0.00 C ATOM 468 CG TYR A 29 -7.528 -14.646 1.925 1.00 0.00 C ATOM 469 CD1 TYR A 29 -7.943 -15.282 3.102 1.00 0.00 C ATOM 470 CD2 TYR A 29 -8.241 -13.544 1.437 1.00 0.00 C ATOM 471 CE1 TYR A 29 -9.071 -14.816 3.789 1.00 0.00 C ATOM 472 CE2 TYR A 29 -9.369 -13.079 2.124 1.00 0.00 C ATOM 473 CZ TYR A 29 -9.783 -13.716 3.300 1.00 0.00 C ATOM 474 OH TYR A 29 -10.894 -13.257 3.978 1.00 0.00 O ATOM 0 H TYR A 29 -6.155 -13.816 3.428 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.203 -15.136 1.606 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.417 -14.955 0.119 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.223 -16.229 1.306 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.393 -16.131 3.480 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.921 -13.052 0.530 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.391 -15.306 4.697 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.919 -12.230 1.747 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.271 -12.486 3.505 1.00 0.00 H new ATOM 484 N TYR A 30 -4.538 -12.087 1.621 1.00 0.00 N ATOM 485 CA TYR A 30 -4.277 -10.803 0.908 1.00 0.00 C ATOM 486 C TYR A 30 -3.338 -11.077 -0.267 1.00 0.00 C ATOM 487 O TYR A 30 -2.161 -11.317 -0.090 1.00 0.00 O ATOM 488 CB TYR A 30 -3.628 -9.799 1.873 1.00 0.00 C ATOM 489 CG TYR A 30 -2.934 -8.701 1.092 1.00 0.00 C ATOM 490 CD1 TYR A 30 -3.467 -8.261 -0.125 1.00 0.00 C ATOM 491 CD2 TYR A 30 -1.754 -8.130 1.585 1.00 0.00 C ATOM 492 CE1 TYR A 30 -2.821 -7.251 -0.850 1.00 0.00 C ATOM 493 CE2 TYR A 30 -1.105 -7.118 0.861 1.00 0.00 C ATOM 494 CZ TYR A 30 -1.640 -6.681 -0.357 1.00 0.00 C ATOM 495 OH TYR A 30 -1.004 -5.686 -1.072 1.00 0.00 O ATOM 0 H TYR A 30 -4.497 -12.036 2.639 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.214 -10.383 0.541 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.387 -9.368 2.526 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.909 -10.310 2.513 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.377 -8.700 -0.506 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.343 -8.469 2.524 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.233 -6.912 -1.789 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.196 -6.678 1.242 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.536 -5.087 -0.454 1.00 0.00 H new ATOM 505 N GLY A 31 -3.851 -11.047 -1.465 1.00 0.00 N ATOM 506 CA GLY A 31 -2.990 -11.309 -2.649 1.00 0.00 C ATOM 507 C GLY A 31 -1.733 -10.442 -2.575 1.00 0.00 C ATOM 508 O GLY A 31 -0.792 -10.762 -1.878 1.00 0.00 O ATOM 0 H GLY A 31 -4.830 -10.852 -1.674 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.715 -12.363 -2.684 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.539 -11.092 -3.565 1.00 0.00 H new ATOM 512 N GLU A 32 -1.722 -9.349 -3.295 1.00 0.00 N ATOM 513 CA GLU A 32 -0.539 -8.430 -3.299 1.00 0.00 C ATOM 514 C GLU A 32 -0.488 -7.701 -4.642 1.00 0.00 C ATOM 515 O GLU A 32 0.174 -6.694 -4.794 1.00 0.00 O ATOM 516 CB GLU A 32 0.759 -9.225 -3.126 1.00 0.00 C ATOM 517 CG GLU A 32 0.729 -10.460 -4.030 1.00 0.00 C ATOM 518 CD GLU A 32 1.183 -11.687 -3.236 1.00 0.00 C ATOM 519 OE1 GLU A 32 1.683 -11.506 -2.138 1.00 0.00 O ATOM 520 OE2 GLU A 32 1.025 -12.786 -3.741 1.00 0.00 O ATOM 0 H GLU A 32 -2.494 -9.048 -3.890 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.637 -7.722 -2.476 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.616 -8.600 -3.376 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.877 -9.526 -2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.278 -10.616 -4.416 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.381 -10.309 -4.891 1.00 0.00 H new ATOM 527 N ASN A 33 -1.178 -8.217 -5.621 1.00 0.00 N ATOM 528 CA ASN A 33 -1.172 -7.578 -6.967 1.00 0.00 C ATOM 529 C ASN A 33 -2.116 -6.378 -6.984 1.00 0.00 C ATOM 530 O ASN A 33 -3.013 -6.270 -6.184 1.00 0.00 O ATOM 531 CB ASN A 33 -1.631 -8.584 -8.029 1.00 0.00 C ATOM 532 CG ASN A 33 -2.738 -9.489 -7.476 1.00 0.00 C ATOM 533 OD1 ASN A 33 -3.906 -9.229 -7.678 1.00 0.00 O ATOM 534 ND2 ASN A 33 -2.422 -10.552 -6.789 1.00 0.00 N ATOM 0 H ASN A 33 -1.749 -9.059 -5.546 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.157 -7.248 -7.187 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.995 -8.052 -8.908 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.785 -9.191 -8.351 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.155 -11.160 -6.424 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.442 -10.775 -6.616 1.00 0.00 H new ATOM 541 N LEU A 34 -1.929 -5.482 -7.907 1.00 0.00 N ATOM 542 CA LEU A 34 -2.824 -4.295 -7.991 1.00 0.00 C ATOM 543 C LEU A 34 -4.273 -4.759 -7.950 1.00 0.00 C ATOM 544 O LEU A 34 -5.133 -4.138 -7.365 1.00 0.00 O ATOM 545 CB LEU A 34 -2.594 -3.604 -9.323 1.00 0.00 C ATOM 546 CG LEU A 34 -1.140 -3.137 -9.436 1.00 0.00 C ATOM 547 CD1 LEU A 34 -1.008 -2.166 -10.610 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.719 -2.432 -8.144 1.00 0.00 C ATOM 0 H LEU A 34 -1.192 -5.519 -8.611 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.616 -3.619 -7.161 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.828 -4.287 -10.140 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.266 -2.751 -9.418 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.497 -4.002 -9.600 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.027 -1.833 -10.692 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.302 -2.668 -11.532 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.655 -1.304 -10.444 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.316 -2.102 -8.230 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.362 -1.568 -7.975 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.811 -3.123 -7.306 1.00 0.00 H new ATOM 560 N ASP A 35 -4.537 -5.842 -8.601 1.00 0.00 N ATOM 561 CA ASP A 35 -5.917 -6.389 -8.652 1.00 0.00 C ATOM 562 C ASP A 35 -6.391 -6.765 -7.251 1.00 0.00 C ATOM 563 O ASP A 35 -7.532 -6.552 -6.888 1.00 0.00 O ATOM 564 CB ASP A 35 -5.891 -7.653 -9.496 1.00 0.00 C ATOM 565 CG ASP A 35 -5.549 -7.300 -10.945 1.00 0.00 C ATOM 566 OD1 ASP A 35 -6.373 -6.674 -11.591 1.00 0.00 O ATOM 567 OD2 ASP A 35 -4.470 -7.662 -11.383 1.00 0.00 O ATOM 0 H ASP A 35 -3.844 -6.387 -9.113 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.588 -5.640 -9.071 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.155 -8.352 -9.099 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.860 -8.151 -9.452 1.00 0.00 H new ATOM 572 N ALA A 36 -5.525 -7.334 -6.466 1.00 0.00 N ATOM 573 CA ALA A 36 -5.928 -7.743 -5.091 1.00 0.00 C ATOM 574 C ALA A 36 -5.884 -6.531 -4.188 1.00 0.00 C ATOM 575 O ALA A 36 -6.889 -6.083 -3.678 1.00 0.00 O ATOM 576 CB ALA A 36 -4.963 -8.795 -4.551 1.00 0.00 C ATOM 0 H ALA A 36 -4.556 -7.535 -6.714 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.934 -8.161 -5.121 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.267 -9.086 -3.546 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.976 -9.669 -5.202 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.955 -8.382 -4.519 1.00 0.00 H new ATOM 582 N LEU A 37 -4.716 -5.994 -4.005 1.00 0.00 N ATOM 583 CA LEU A 37 -4.564 -4.786 -3.152 1.00 0.00 C ATOM 584 C LEU A 37 -5.725 -3.846 -3.452 1.00 0.00 C ATOM 585 O LEU A 37 -6.428 -3.372 -2.575 1.00 0.00 O ATOM 586 CB LEU A 37 -3.250 -4.092 -3.509 1.00 0.00 C ATOM 587 CG LEU A 37 -3.254 -2.675 -2.932 1.00 0.00 C ATOM 588 CD1 LEU A 37 -3.176 -2.745 -1.405 1.00 0.00 C ATOM 589 CD2 LEU A 37 -2.050 -1.895 -3.468 1.00 0.00 C ATOM 0 H LEU A 37 -3.849 -6.343 -4.414 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.559 -5.058 -2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.407 -4.657 -3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.127 -4.056 -4.591 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.173 -2.169 -3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.179 -1.736 -0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.035 -3.295 -1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.258 -3.254 -1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.057 -0.886 -3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.130 -2.401 -3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.106 -1.842 -4.555 1.00 0.00 H new ATOM 601 N TRP A 38 -5.928 -3.590 -4.704 1.00 0.00 N ATOM 602 CA TRP A 38 -7.034 -2.712 -5.114 1.00 0.00 C ATOM 603 C TRP A 38 -8.326 -3.324 -4.631 1.00 0.00 C ATOM 604 O TRP A 38 -9.117 -2.707 -3.948 1.00 0.00 O ATOM 605 CB TRP A 38 -7.096 -2.634 -6.634 1.00 0.00 C ATOM 606 CG TRP A 38 -8.265 -1.798 -7.002 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.514 -2.261 -7.180 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.322 -0.367 -7.203 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.344 -1.197 -7.498 1.00 0.00 N ATOM 610 CE2 TRP A 38 -9.647 -0.003 -7.521 1.00 0.00 C ATOM 611 CE3 TRP A 38 -7.354 0.634 -7.144 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -9.994 1.326 -7.770 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -7.685 1.961 -7.386 1.00 0.00 C ATOM 614 CH2 TRP A 38 -9.006 2.317 -7.699 1.00 0.00 C ATOM 0 H TRP A 38 -5.364 -3.959 -5.469 1.00 0.00 H new ATOM 0 HA TRP A 38 -6.883 -1.717 -4.697 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.178 -2.201 -7.031 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.190 -3.631 -7.063 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.821 -3.293 -7.090 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.342 -1.284 -7.691 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.333 0.374 -6.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.013 1.588 -8.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.922 2.723 -7.333 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -9.260 3.350 -7.884 1.00 0.00 H new ATOM 625 N ASP A 39 -8.533 -4.549 -4.989 1.00 0.00 N ATOM 626 CA ASP A 39 -9.767 -5.245 -4.565 1.00 0.00 C ATOM 627 C ASP A 39 -9.989 -4.964 -3.083 1.00 0.00 C ATOM 628 O ASP A 39 -11.101 -4.984 -2.595 1.00 0.00 O ATOM 629 CB ASP A 39 -9.616 -6.746 -4.795 1.00 0.00 C ATOM 630 CG ASP A 39 -10.553 -7.188 -5.921 1.00 0.00 C ATOM 631 OD1 ASP A 39 -10.827 -6.376 -6.790 1.00 0.00 O ATOM 632 OD2 ASP A 39 -10.980 -8.330 -5.896 1.00 0.00 O ATOM 0 H ASP A 39 -7.897 -5.104 -5.561 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.620 -4.889 -5.144 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.584 -6.983 -5.053 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.849 -7.290 -3.880 1.00 0.00 H new ATOM 637 N CYS A 40 -8.933 -4.687 -2.363 1.00 0.00 N ATOM 638 CA CYS A 40 -9.089 -4.390 -0.916 1.00 0.00 C ATOM 639 C CYS A 40 -9.540 -2.937 -0.746 1.00 0.00 C ATOM 640 O CYS A 40 -10.526 -2.663 -0.094 1.00 0.00 O ATOM 641 CB CYS A 40 -7.757 -4.608 -0.194 1.00 0.00 C ATOM 642 SG CYS A 40 -7.699 -6.295 0.459 1.00 0.00 S ATOM 0 H CYS A 40 -7.976 -4.655 -2.715 1.00 0.00 H new ATOM 0 HA CYS A 40 -9.837 -5.057 -0.486 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.927 -4.443 -0.881 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -7.648 -3.888 0.617 1.00 0.00 H new ATOM 0 HG CYS A 40 -6.462 -6.684 0.546 1.00 0.00 H new ATOM 648 N LEU A 41 -8.831 -1.998 -1.322 1.00 0.00 N ATOM 649 CA LEU A 41 -9.226 -0.577 -1.181 1.00 0.00 C ATOM 650 C LEU A 41 -10.680 -0.364 -1.612 1.00 0.00 C ATOM 651 O LEU A 41 -11.483 0.179 -0.879 1.00 0.00 O ATOM 652 CB LEU A 41 -8.316 0.257 -2.072 1.00 0.00 C ATOM 653 CG LEU A 41 -6.864 -0.163 -1.855 1.00 0.00 C ATOM 654 CD1 LEU A 41 -5.958 0.911 -2.426 1.00 0.00 C ATOM 655 CD2 LEU A 41 -6.581 -0.316 -0.358 1.00 0.00 C ATOM 0 H LEU A 41 -7.995 -2.162 -1.883 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.134 -0.281 -0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.592 0.123 -3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.437 1.316 -1.844 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.682 -1.117 -2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.917 0.625 -2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.155 1.025 -3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.150 1.856 -1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.543 -0.616 -0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.758 0.635 0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.240 -1.076 0.061 1.00 0.00 H new ATOM 667 N THR A 42 -11.013 -0.755 -2.809 1.00 0.00 N ATOM 668 CA THR A 42 -12.394 -0.546 -3.314 1.00 0.00 C ATOM 669 C THR A 42 -13.405 -1.379 -2.521 1.00 0.00 C ATOM 670 O THR A 42 -14.599 -1.212 -2.674 1.00 0.00 O ATOM 671 CB THR A 42 -12.455 -0.942 -4.790 1.00 0.00 C ATOM 672 OG1 THR A 42 -11.610 -2.062 -5.014 1.00 0.00 O ATOM 673 CG2 THR A 42 -11.990 0.233 -5.653 1.00 0.00 C ATOM 0 H THR A 42 -10.380 -1.215 -3.464 1.00 0.00 H new ATOM 0 HA THR A 42 -12.650 0.507 -3.194 1.00 0.00 H new ATOM 0 HB THR A 42 -13.480 -1.202 -5.056 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.208 -1.996 -5.905 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.033 -0.049 -6.705 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.640 1.091 -5.480 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.965 0.495 -5.389 1.00 0.00 H new ATOM 681 N GLY A 43 -12.961 -2.275 -1.683 1.00 0.00 N ATOM 682 CA GLY A 43 -13.948 -3.093 -0.916 1.00 0.00 C ATOM 683 C GLY A 43 -13.279 -3.810 0.260 1.00 0.00 C ATOM 684 O GLY A 43 -13.267 -5.023 0.325 1.00 0.00 O ATOM 0 H GLY A 43 -11.978 -2.475 -1.497 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.747 -2.451 -0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.409 -3.826 -1.578 1.00 0.00 H new ATOM 688 N TRP A 44 -12.744 -3.078 1.199 1.00 0.00 N ATOM 689 CA TRP A 44 -12.100 -3.729 2.375 1.00 0.00 C ATOM 690 C TRP A 44 -11.469 -2.666 3.276 1.00 0.00 C ATOM 691 O TRP A 44 -11.637 -2.676 4.479 1.00 0.00 O ATOM 692 CB TRP A 44 -11.013 -4.691 1.899 1.00 0.00 C ATOM 693 CG TRP A 44 -10.428 -5.390 3.082 1.00 0.00 C ATOM 694 CD1 TRP A 44 -9.385 -4.934 3.811 1.00 0.00 C ATOM 695 CD2 TRP A 44 -10.833 -6.651 3.691 1.00 0.00 C ATOM 696 NE1 TRP A 44 -9.122 -5.834 4.828 1.00 0.00 N ATOM 697 CE2 TRP A 44 -9.988 -6.910 4.795 1.00 0.00 C ATOM 698 CE3 TRP A 44 -11.841 -7.586 3.393 1.00 0.00 C ATOM 699 CZ2 TRP A 44 -10.138 -8.055 5.578 1.00 0.00 C ATOM 700 CZ3 TRP A 44 -11.994 -8.740 4.180 1.00 0.00 C ATOM 701 CH2 TRP A 44 -11.144 -8.974 5.270 1.00 0.00 C ATOM 0 H TRP A 44 -12.725 -2.058 1.203 1.00 0.00 H new ATOM 0 HA TRP A 44 -12.857 -4.278 2.935 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.432 -5.417 1.202 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -10.237 -4.146 1.362 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.845 -4.017 3.629 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.380 -5.718 5.518 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -12.501 -7.416 2.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.481 -8.230 6.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -12.772 -9.451 3.944 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -11.267 -9.863 5.871 1.00 0.00 H new ATOM 712 N VAL A 45 -10.729 -1.759 2.703 1.00 0.00 N ATOM 713 CA VAL A 45 -10.069 -0.708 3.511 1.00 0.00 C ATOM 714 C VAL A 45 -11.097 0.306 4.009 1.00 0.00 C ATOM 715 O VAL A 45 -11.908 0.805 3.254 1.00 0.00 O ATOM 716 CB VAL A 45 -9.036 0.010 2.646 1.00 0.00 C ATOM 717 CG1 VAL A 45 -8.429 1.173 3.434 1.00 0.00 C ATOM 718 CG2 VAL A 45 -7.934 -0.975 2.251 1.00 0.00 C ATOM 0 H VAL A 45 -10.554 -1.704 1.700 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.586 -1.172 4.371 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.517 0.397 1.747 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.692 1.685 2.816 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.216 1.873 3.715 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.946 0.790 4.333 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.195 -0.465 1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.452 -1.361 3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.369 -1.801 1.689 1.00 0.00 H new ATOM 728 N GLU A 46 -11.056 0.633 5.271 1.00 0.00 N ATOM 729 CA GLU A 46 -12.017 1.634 5.807 1.00 0.00 C ATOM 730 C GLU A 46 -11.486 3.031 5.492 1.00 0.00 C ATOM 731 O GLU A 46 -10.319 3.317 5.674 1.00 0.00 O ATOM 732 CB GLU A 46 -12.152 1.466 7.321 1.00 0.00 C ATOM 733 CG GLU A 46 -13.071 0.281 7.624 1.00 0.00 C ATOM 734 CD GLU A 46 -12.236 -0.994 7.755 1.00 0.00 C ATOM 735 OE1 GLU A 46 -11.030 -0.876 7.895 1.00 0.00 O ATOM 736 OE2 GLU A 46 -12.817 -2.066 7.712 1.00 0.00 O ATOM 0 H GLU A 46 -10.400 0.251 5.952 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.996 1.491 5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.171 1.303 7.768 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.557 2.376 7.764 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.624 0.462 8.546 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.807 0.166 6.829 1.00 0.00 H new ATOM 743 N TYR A 47 -12.325 3.900 5.009 1.00 0.00 N ATOM 744 CA TYR A 47 -11.860 5.272 4.669 1.00 0.00 C ATOM 745 C TYR A 47 -12.528 6.280 5.611 1.00 0.00 C ATOM 746 O TYR A 47 -13.514 5.959 6.243 1.00 0.00 O ATOM 747 CB TYR A 47 -12.232 5.565 3.213 1.00 0.00 C ATOM 748 CG TYR A 47 -11.433 4.647 2.318 1.00 0.00 C ATOM 749 CD1 TYR A 47 -10.045 4.564 2.471 1.00 0.00 C ATOM 750 CD2 TYR A 47 -12.077 3.870 1.348 1.00 0.00 C ATOM 751 CE1 TYR A 47 -9.298 3.710 1.657 1.00 0.00 C ATOM 752 CE2 TYR A 47 -11.328 3.011 0.533 1.00 0.00 C ATOM 753 CZ TYR A 47 -9.939 2.933 0.689 1.00 0.00 C ATOM 754 OH TYR A 47 -9.204 2.086 -0.109 1.00 0.00 O ATOM 0 H TYR A 47 -13.314 3.720 4.834 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.779 5.352 4.787 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -13.300 5.411 3.057 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -12.022 6.607 2.971 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.549 5.162 3.221 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -13.149 3.932 1.228 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.226 3.650 1.776 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.822 2.409 -0.215 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.252 2.307 -0.031 1.00 0.00 H new ATOM 764 N PRO A 48 -11.977 7.470 5.688 1.00 0.00 N ATOM 765 CA PRO A 48 -10.774 7.876 4.924 1.00 0.00 C ATOM 766 C PRO A 48 -9.528 7.113 5.390 1.00 0.00 C ATOM 767 O PRO A 48 -9.320 6.903 6.569 1.00 0.00 O ATOM 768 CB PRO A 48 -10.606 9.371 5.232 1.00 0.00 C ATOM 769 CG PRO A 48 -11.677 9.762 6.281 1.00 0.00 C ATOM 770 CD PRO A 48 -12.536 8.520 6.557 1.00 0.00 C ATOM 0 HA PRO A 48 -10.889 7.665 3.861 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.605 9.572 5.615 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.725 9.964 4.325 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.204 10.111 7.199 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.295 10.580 5.910 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.487 8.231 7.607 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.585 8.706 6.327 1.00 0.00 H new ATOM 778 N LEU A 49 -8.690 6.717 4.468 1.00 0.00 N ATOM 779 CA LEU A 49 -7.445 5.990 4.847 1.00 0.00 C ATOM 780 C LEU A 49 -6.251 6.902 4.578 1.00 0.00 C ATOM 781 O LEU A 49 -6.318 7.807 3.775 1.00 0.00 O ATOM 782 CB LEU A 49 -7.307 4.700 4.011 1.00 0.00 C ATOM 783 CG LEU A 49 -5.822 4.294 3.861 1.00 0.00 C ATOM 784 CD1 LEU A 49 -5.305 3.701 5.175 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.682 3.250 2.753 1.00 0.00 C ATOM 0 H LEU A 49 -8.816 6.867 3.467 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.485 5.719 5.902 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.862 3.892 4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.748 4.852 3.026 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.240 5.180 3.608 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.259 3.418 5.060 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.395 4.442 5.969 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.893 2.820 5.433 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.635 2.967 2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.273 2.370 3.006 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.039 3.668 1.812 1.00 0.00 H new ATOM 797 N VAL A 50 -5.148 6.646 5.212 1.00 0.00 N ATOM 798 CA VAL A 50 -3.944 7.469 4.948 1.00 0.00 C ATOM 799 C VAL A 50 -2.838 6.525 4.473 1.00 0.00 C ATOM 800 O VAL A 50 -2.637 5.467 5.031 1.00 0.00 O ATOM 801 CB VAL A 50 -3.515 8.217 6.231 1.00 0.00 C ATOM 802 CG1 VAL A 50 -2.084 7.839 6.643 1.00 0.00 C ATOM 803 CG2 VAL A 50 -3.567 9.723 5.974 1.00 0.00 C ATOM 0 H VAL A 50 -5.028 5.903 5.901 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.150 8.221 4.186 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.197 7.936 7.034 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.811 8.381 7.548 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.031 6.767 6.832 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.393 8.101 5.841 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.265 10.257 6.875 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.890 9.977 5.159 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.583 10.011 5.705 1.00 0.00 H new ATOM 813 N LEU A 51 -2.100 6.903 3.478 1.00 0.00 N ATOM 814 CA LEU A 51 -0.994 6.026 3.027 1.00 0.00 C ATOM 815 C LEU A 51 0.304 6.795 3.194 1.00 0.00 C ATOM 816 O LEU A 51 0.843 7.349 2.256 1.00 0.00 O ATOM 817 CB LEU A 51 -1.161 5.601 1.563 1.00 0.00 C ATOM 818 CG LEU A 51 0.043 4.741 1.167 1.00 0.00 C ATOM 819 CD1 LEU A 51 0.085 3.496 2.048 1.00 0.00 C ATOM 820 CD2 LEU A 51 -0.078 4.299 -0.287 1.00 0.00 C ATOM 0 H LEU A 51 -2.212 7.774 2.960 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.994 5.115 3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.086 5.039 1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.228 6.478 0.919 1.00 0.00 H new ATOM 0 HG LEU A 51 0.951 5.331 1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.941 2.881 1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.177 3.793 3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.832 2.923 1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.784 3.689 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.990 3.715 -0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.116 5.177 -0.932 1.00 0.00 H new ATOM 832 N GLU A 52 0.808 6.834 4.391 1.00 0.00 N ATOM 833 CA GLU A 52 2.071 7.562 4.636 1.00 0.00 C ATOM 834 C GLU A 52 3.203 6.681 4.133 1.00 0.00 C ATOM 835 O GLU A 52 3.775 5.890 4.860 1.00 0.00 O ATOM 836 CB GLU A 52 2.216 7.825 6.136 1.00 0.00 C ATOM 837 CG GLU A 52 3.589 8.437 6.420 1.00 0.00 C ATOM 838 CD GLU A 52 3.574 9.109 7.795 1.00 0.00 C ATOM 839 OE1 GLU A 52 3.364 8.409 8.772 1.00 0.00 O ATOM 840 OE2 GLU A 52 3.772 10.311 7.847 1.00 0.00 O ATOM 0 H GLU A 52 0.396 6.390 5.212 1.00 0.00 H new ATOM 0 HA GLU A 52 2.087 8.522 4.120 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.429 8.499 6.475 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.100 6.894 6.691 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.357 7.664 6.390 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.840 9.166 5.650 1.00 0.00 H new ATOM 847 N TRP A 53 3.499 6.789 2.869 1.00 0.00 N ATOM 848 CA TRP A 53 4.560 5.938 2.284 1.00 0.00 C ATOM 849 C TRP A 53 5.941 6.475 2.652 1.00 0.00 C ATOM 850 O TRP A 53 6.361 7.517 2.189 1.00 0.00 O ATOM 851 CB TRP A 53 4.417 5.905 0.765 1.00 0.00 C ATOM 852 CG TRP A 53 5.002 4.627 0.273 1.00 0.00 C ATOM 853 CD1 TRP A 53 6.266 4.217 0.521 1.00 0.00 C ATOM 854 CD2 TRP A 53 4.378 3.581 -0.526 1.00 0.00 C ATOM 855 NE1 TRP A 53 6.460 2.986 -0.071 1.00 0.00 N ATOM 856 CE2 TRP A 53 5.327 2.553 -0.729 1.00 0.00 C ATOM 857 CE3 TRP A 53 3.096 3.421 -1.090 1.00 0.00 C ATOM 858 CZ2 TRP A 53 5.023 1.411 -1.459 1.00 0.00 C ATOM 859 CZ3 TRP A 53 2.787 2.267 -1.832 1.00 0.00 C ATOM 860 CH2 TRP A 53 3.750 1.264 -2.016 1.00 0.00 C ATOM 0 H TRP A 53 3.049 7.432 2.218 1.00 0.00 H new ATOM 0 HA TRP A 53 4.455 4.930 2.684 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.367 5.978 0.480 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.929 6.756 0.316 1.00 0.00 H new ATOM 0 HD1 TRP A 53 7.004 4.764 1.090 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.333 2.461 -0.028 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.348 4.188 -0.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.767 0.640 -1.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.803 2.153 -2.262 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.508 0.380 -2.587 1.00 0.00 H new ATOM 871 N ARG A 54 6.657 5.755 3.467 1.00 0.00 N ATOM 872 CA ARG A 54 8.023 6.198 3.853 1.00 0.00 C ATOM 873 C ARG A 54 9.011 5.630 2.835 1.00 0.00 C ATOM 874 O ARG A 54 8.857 4.519 2.370 1.00 0.00 O ATOM 875 CB ARG A 54 8.360 5.667 5.248 1.00 0.00 C ATOM 876 CG ARG A 54 8.512 6.839 6.220 1.00 0.00 C ATOM 877 CD ARG A 54 9.563 6.492 7.276 1.00 0.00 C ATOM 878 NE ARG A 54 10.432 7.678 7.519 1.00 0.00 N ATOM 879 CZ ARG A 54 11.201 7.717 8.573 1.00 0.00 C ATOM 880 NH1 ARG A 54 10.719 8.112 9.719 1.00 0.00 N ATOM 881 NH2 ARG A 54 12.453 7.362 8.479 1.00 0.00 N ATOM 0 H ARG A 54 6.353 4.875 3.884 1.00 0.00 H new ATOM 0 HA ARG A 54 8.079 7.286 3.868 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.574 4.995 5.592 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.282 5.087 5.214 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.807 7.738 5.679 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.557 7.054 6.699 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.076 6.188 8.203 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.166 5.648 6.941 1.00 0.00 H new ATOM 0 HE ARG A 54 10.426 8.459 6.862 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.741 8.391 9.792 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.321 8.142 10.542 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.830 7.054 7.583 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.055 7.392 9.302 1.00 0.00 H new ATOM 895 N GLN A 55 10.010 6.383 2.468 1.00 0.00 N ATOM 896 CA GLN A 55 10.986 5.878 1.461 1.00 0.00 C ATOM 897 C GLN A 55 10.297 5.823 0.093 1.00 0.00 C ATOM 898 O GLN A 55 10.381 6.746 -0.691 1.00 0.00 O ATOM 899 CB GLN A 55 11.461 4.478 1.859 1.00 0.00 C ATOM 900 CG GLN A 55 12.936 4.535 2.260 1.00 0.00 C ATOM 901 CD GLN A 55 13.047 4.894 3.744 1.00 0.00 C ATOM 902 OE1 GLN A 55 12.287 4.408 4.557 1.00 0.00 O ATOM 903 NE2 GLN A 55 13.970 5.731 4.133 1.00 0.00 N ATOM 0 H GLN A 55 10.193 7.323 2.820 1.00 0.00 H new ATOM 0 HA GLN A 55 11.849 6.542 1.414 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.862 4.101 2.688 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.326 3.786 1.028 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.413 3.573 2.071 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.460 5.275 1.655 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.609 6.139 3.450 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.053 5.977 5.120 1.00 0.00 H new ATOM 912 N PHE A 56 9.604 4.751 -0.188 1.00 0.00 N ATOM 913 CA PHE A 56 8.888 4.628 -1.494 1.00 0.00 C ATOM 914 C PHE A 56 9.897 4.426 -2.630 1.00 0.00 C ATOM 915 O PHE A 56 10.124 3.317 -3.072 1.00 0.00 O ATOM 916 CB PHE A 56 8.054 5.891 -1.740 1.00 0.00 C ATOM 917 CG PHE A 56 7.126 5.688 -2.919 1.00 0.00 C ATOM 918 CD1 PHE A 56 6.688 4.402 -3.274 1.00 0.00 C ATOM 919 CD2 PHE A 56 6.698 6.798 -3.659 1.00 0.00 C ATOM 920 CE1 PHE A 56 5.827 4.232 -4.364 1.00 0.00 C ATOM 921 CE2 PHE A 56 5.838 6.625 -4.750 1.00 0.00 C ATOM 922 CZ PHE A 56 5.403 5.342 -5.103 1.00 0.00 C ATOM 0 H PHE A 56 9.502 3.950 0.435 1.00 0.00 H new ATOM 0 HA PHE A 56 8.225 3.763 -1.463 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.474 6.131 -0.849 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.713 6.739 -1.929 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.016 3.544 -2.706 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.032 7.788 -3.387 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.489 3.243 -4.635 1.00 0.00 H new ATOM 0 HE2 PHE A 56 5.510 7.482 -5.320 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.740 5.209 -5.945 1.00 0.00 H new ATOM 932 N GLU A 57 10.511 5.476 -3.111 1.00 0.00 N ATOM 933 CA GLU A 57 11.502 5.306 -4.212 1.00 0.00 C ATOM 934 C GLU A 57 12.526 4.259 -3.785 1.00 0.00 C ATOM 935 O GLU A 57 12.836 3.341 -4.517 1.00 0.00 O ATOM 936 CB GLU A 57 12.215 6.629 -4.477 1.00 0.00 C ATOM 937 CG GLU A 57 11.190 7.699 -4.857 1.00 0.00 C ATOM 938 CD GLU A 57 11.877 8.800 -5.666 1.00 0.00 C ATOM 939 OE1 GLU A 57 13.033 9.076 -5.392 1.00 0.00 O ATOM 940 OE2 GLU A 57 11.235 9.349 -6.547 1.00 0.00 O ATOM 0 H GLU A 57 10.370 6.435 -2.792 1.00 0.00 H new ATOM 0 HA GLU A 57 10.992 4.989 -5.121 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.768 6.939 -3.590 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.942 6.507 -5.280 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.384 7.254 -5.440 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.739 8.121 -3.959 1.00 0.00 H new ATOM 947 N GLN A 58 13.038 4.384 -2.593 1.00 0.00 N ATOM 948 CA GLN A 58 14.015 3.394 -2.095 1.00 0.00 C ATOM 949 C GLN A 58 13.256 2.100 -1.835 1.00 0.00 C ATOM 950 O GLN A 58 13.806 1.020 -1.872 1.00 0.00 O ATOM 951 CB GLN A 58 14.651 3.897 -0.798 1.00 0.00 C ATOM 952 CG GLN A 58 15.477 5.152 -1.088 1.00 0.00 C ATOM 953 CD GLN A 58 16.316 5.508 0.141 1.00 0.00 C ATOM 954 OE1 GLN A 58 15.972 5.149 1.250 1.00 0.00 O ATOM 955 NE2 GLN A 58 17.410 6.203 -0.010 1.00 0.00 N ATOM 0 H GLN A 58 12.816 5.137 -1.942 1.00 0.00 H new ATOM 0 HA GLN A 58 14.810 3.235 -2.823 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.877 4.120 -0.064 1.00 0.00 H new ATOM 0 HB3 GLN A 58 15.286 3.122 -0.367 1.00 0.00 H new ATOM 0 HG2 GLN A 58 16.126 4.982 -1.947 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.819 5.982 -1.345 1.00 0.00 H new ATOM 0 HE21 GLN A 58 17.698 6.504 -0.941 1.00 0.00 H new ATOM 0 HE22 GLN A 58 17.977 6.445 0.803 1.00 0.00 H new ATOM 964 N SER A 59 11.976 2.216 -1.592 1.00 0.00 N ATOM 965 CA SER A 59 11.137 1.012 -1.353 1.00 0.00 C ATOM 966 C SER A 59 10.578 0.531 -2.697 1.00 0.00 C ATOM 967 O SER A 59 9.790 -0.391 -2.761 1.00 0.00 O ATOM 968 CB SER A 59 9.984 1.367 -0.414 1.00 0.00 C ATOM 969 OG SER A 59 10.493 1.581 0.895 1.00 0.00 O ATOM 0 H SER A 59 11.475 3.103 -1.549 1.00 0.00 H new ATOM 0 HA SER A 59 11.736 0.225 -0.896 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.473 2.262 -0.769 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.248 0.563 -0.403 1.00 0.00 H new ATOM 0 HG SER A 59 9.922 2.222 1.367 1.00 0.00 H new ATOM 975 N LYS A 60 10.996 1.149 -3.773 1.00 0.00 N ATOM 976 CA LYS A 60 10.511 0.733 -5.118 1.00 0.00 C ATOM 977 C LYS A 60 11.592 -0.098 -5.822 1.00 0.00 C ATOM 978 O LYS A 60 11.302 -1.066 -6.496 1.00 0.00 O ATOM 979 CB LYS A 60 10.214 1.979 -5.955 1.00 0.00 C ATOM 980 CG LYS A 60 8.848 2.548 -5.569 1.00 0.00 C ATOM 981 CD LYS A 60 8.172 3.133 -6.810 1.00 0.00 C ATOM 982 CE LYS A 60 8.687 4.553 -7.052 1.00 0.00 C ATOM 983 NZ LYS A 60 9.247 4.650 -8.430 1.00 0.00 N ATOM 0 H LYS A 60 11.655 1.927 -3.774 1.00 0.00 H new ATOM 0 HA LYS A 60 9.606 0.135 -5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.989 2.729 -5.795 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.227 1.728 -7.016 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.225 1.765 -5.137 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.965 3.319 -4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.378 2.507 -7.678 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.090 3.145 -6.676 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.877 5.272 -6.926 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.453 4.804 -6.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.597 5.615 -8.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.031 3.975 -8.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.504 4.428 -9.123 1.00 0.00 H new ATOM 1083 N ALA A 67 7.074 -0.724 -5.852 1.00 0.00 N ATOM 1084 CA ALA A 67 5.782 -0.432 -5.187 1.00 0.00 C ATOM 1085 C ALA A 67 5.010 0.644 -5.950 1.00 0.00 C ATOM 1086 O ALA A 67 3.825 0.823 -5.758 1.00 0.00 O ATOM 1087 CB ALA A 67 6.098 0.075 -3.796 1.00 0.00 C ATOM 0 HA ALA A 67 5.167 -1.332 -5.156 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.170 0.302 -3.272 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.647 -0.689 -3.246 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.705 0.978 -3.867 1.00 0.00 H new ATOM 1093 N GLU A 68 5.672 1.360 -6.809 1.00 0.00 N ATOM 1094 CA GLU A 68 4.995 2.425 -7.585 1.00 0.00 C ATOM 1095 C GLU A 68 3.615 1.941 -8.059 1.00 0.00 C ATOM 1096 O GLU A 68 2.697 2.721 -8.215 1.00 0.00 O ATOM 1097 CB GLU A 68 5.918 2.812 -8.756 1.00 0.00 C ATOM 1098 CG GLU A 68 5.274 2.466 -10.093 1.00 0.00 C ATOM 1099 CD GLU A 68 6.074 3.102 -11.232 1.00 0.00 C ATOM 1100 OE1 GLU A 68 7.013 2.475 -11.693 1.00 0.00 O ATOM 1101 OE2 GLU A 68 5.733 4.206 -11.624 1.00 0.00 O ATOM 0 H GLU A 68 6.666 1.250 -7.008 1.00 0.00 H new ATOM 0 HA GLU A 68 4.816 3.307 -6.971 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.133 3.880 -8.717 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.871 2.291 -8.661 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.238 1.384 -10.221 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.245 2.824 -10.115 1.00 0.00 H new ATOM 1108 N SER A 69 3.458 0.665 -8.281 1.00 0.00 N ATOM 1109 CA SER A 69 2.134 0.150 -8.734 1.00 0.00 C ATOM 1110 C SER A 69 1.147 0.208 -7.564 1.00 0.00 C ATOM 1111 O SER A 69 0.056 0.738 -7.676 1.00 0.00 O ATOM 1112 CB SER A 69 2.292 -1.296 -9.207 1.00 0.00 C ATOM 1113 OG SER A 69 3.155 -1.328 -10.335 1.00 0.00 O ATOM 0 H SER A 69 4.186 -0.041 -8.169 1.00 0.00 H new ATOM 0 HA SER A 69 1.758 0.759 -9.556 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.700 -1.911 -8.405 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.320 -1.714 -9.466 1.00 0.00 H new ATOM 0 HG SER A 69 3.260 -2.253 -10.640 1.00 0.00 H new ATOM 1119 N VAL A 70 1.532 -0.320 -6.435 1.00 0.00 N ATOM 1120 CA VAL A 70 0.639 -0.288 -5.248 1.00 0.00 C ATOM 1121 C VAL A 70 0.196 1.153 -5.025 1.00 0.00 C ATOM 1122 O VAL A 70 -0.963 1.435 -4.785 1.00 0.00 O ATOM 1123 CB VAL A 70 1.415 -0.791 -4.030 1.00 0.00 C ATOM 1124 CG1 VAL A 70 0.586 -0.577 -2.765 1.00 0.00 C ATOM 1125 CG2 VAL A 70 1.712 -2.282 -4.197 1.00 0.00 C ATOM 0 H VAL A 70 2.433 -0.774 -6.285 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.234 -0.923 -5.401 1.00 0.00 H new ATOM 0 HB VAL A 70 2.351 -0.238 -3.945 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.143 -0.937 -1.900 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.374 0.485 -2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.352 -1.127 -2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.265 -2.642 -3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.775 -2.832 -4.284 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.308 -2.436 -5.097 1.00 0.00 H new ATOM 1135 N LEU A 71 1.113 2.073 -5.130 1.00 0.00 N ATOM 1136 CA LEU A 71 0.753 3.504 -4.954 1.00 0.00 C ATOM 1137 C LEU A 71 -0.250 3.875 -6.036 1.00 0.00 C ATOM 1138 O LEU A 71 -1.207 4.566 -5.794 1.00 0.00 O ATOM 1139 CB LEU A 71 1.995 4.367 -5.114 1.00 0.00 C ATOM 1140 CG LEU A 71 1.591 5.843 -5.154 1.00 0.00 C ATOM 1141 CD1 LEU A 71 1.150 6.290 -3.760 1.00 0.00 C ATOM 1142 CD2 LEU A 71 2.786 6.686 -5.605 1.00 0.00 C ATOM 0 H LEU A 71 2.097 1.894 -5.330 1.00 0.00 H new ATOM 0 HA LEU A 71 0.329 3.665 -3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.683 4.190 -4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.522 4.098 -6.030 1.00 0.00 H new ATOM 0 HG LEU A 71 0.767 5.975 -5.855 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.862 7.341 -3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.299 5.690 -3.438 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.974 6.158 -3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.499 7.737 -5.634 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.610 6.554 -4.904 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.101 6.368 -6.599 1.00 0.00 H new ATOM 1154 N GLN A 72 -0.036 3.402 -7.231 1.00 0.00 N ATOM 1155 CA GLN A 72 -0.984 3.704 -8.337 1.00 0.00 C ATOM 1156 C GLN A 72 -2.379 3.266 -7.911 1.00 0.00 C ATOM 1157 O GLN A 72 -3.372 3.875 -8.252 1.00 0.00 O ATOM 1158 CB GLN A 72 -0.516 2.948 -9.603 1.00 0.00 C ATOM 1159 CG GLN A 72 -1.556 1.919 -10.081 1.00 0.00 C ATOM 1160 CD GLN A 72 -2.669 2.630 -10.850 1.00 0.00 C ATOM 1161 OE1 GLN A 72 -2.597 3.819 -11.087 1.00 0.00 O ATOM 1162 NE2 GLN A 72 -3.703 1.943 -11.252 1.00 0.00 N ATOM 0 H GLN A 72 0.758 2.817 -7.490 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.010 4.771 -8.560 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.322 3.664 -10.401 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.426 2.441 -9.394 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.079 1.175 -10.718 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.974 1.386 -9.227 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -3.761 0.945 -11.052 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.453 2.404 -11.767 1.00 0.00 H new ATOM 1171 N VAL A 73 -2.447 2.203 -7.180 1.00 0.00 N ATOM 1172 CA VAL A 73 -3.749 1.689 -6.723 1.00 0.00 C ATOM 1173 C VAL A 73 -4.256 2.520 -5.551 1.00 0.00 C ATOM 1174 O VAL A 73 -5.442 2.669 -5.359 1.00 0.00 O ATOM 1175 CB VAL A 73 -3.553 0.249 -6.286 1.00 0.00 C ATOM 1176 CG1 VAL A 73 -4.781 -0.251 -5.526 1.00 0.00 C ATOM 1177 CG2 VAL A 73 -3.300 -0.601 -7.530 1.00 0.00 C ATOM 0 H VAL A 73 -1.640 1.659 -6.875 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.482 1.748 -7.527 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.699 0.176 -5.613 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.623 -1.285 -5.220 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.940 0.368 -4.643 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.657 -0.193 -6.172 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.156 -1.641 -7.237 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.156 -0.528 -8.201 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.407 -0.241 -8.041 1.00 0.00 H new ATOM 1187 N PHE A 74 -3.381 3.051 -4.750 1.00 0.00 N ATOM 1188 CA PHE A 74 -3.863 3.857 -3.596 1.00 0.00 C ATOM 1189 C PHE A 74 -4.358 5.224 -4.092 1.00 0.00 C ATOM 1190 O PHE A 74 -5.317 5.773 -3.581 1.00 0.00 O ATOM 1191 CB PHE A 74 -2.740 4.016 -2.568 1.00 0.00 C ATOM 1192 CG PHE A 74 -2.901 2.943 -1.522 1.00 0.00 C ATOM 1193 CD1 PHE A 74 -4.014 2.964 -0.676 1.00 0.00 C ATOM 1194 CD2 PHE A 74 -1.953 1.918 -1.408 1.00 0.00 C ATOM 1195 CE1 PHE A 74 -4.180 1.963 0.287 1.00 0.00 C ATOM 1196 CE2 PHE A 74 -2.118 0.918 -0.442 1.00 0.00 C ATOM 1197 CZ PHE A 74 -3.232 0.941 0.405 1.00 0.00 C ATOM 0 H PHE A 74 -2.369 2.966 -4.840 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.695 3.345 -3.113 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.767 3.931 -3.052 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.783 5.004 -2.109 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.746 3.753 -0.766 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.096 1.899 -2.065 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.040 1.979 0.940 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.386 0.129 -0.350 1.00 0.00 H new ATOM 0 HZ PHE A 74 -3.360 0.170 1.150 1.00 0.00 H new ATOM 1207 N ARG A 75 -3.740 5.763 -5.108 1.00 0.00 N ATOM 1208 CA ARG A 75 -4.192 7.065 -5.652 1.00 0.00 C ATOM 1209 C ARG A 75 -5.434 6.815 -6.490 1.00 0.00 C ATOM 1210 O ARG A 75 -6.419 7.510 -6.388 1.00 0.00 O ATOM 1211 CB ARG A 75 -3.104 7.649 -6.542 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.207 8.580 -5.726 1.00 0.00 C ATOM 1213 CD ARG A 75 -2.990 9.839 -5.349 1.00 0.00 C ATOM 1214 NE ARG A 75 -3.172 10.693 -6.556 1.00 0.00 N ATOM 1215 CZ ARG A 75 -4.058 11.652 -6.550 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -5.330 11.364 -6.490 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -3.673 12.897 -6.602 1.00 0.00 N ATOM 0 H ARG A 75 -2.937 5.351 -5.584 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.405 7.761 -4.841 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.509 6.846 -6.978 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.554 8.197 -7.370 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.859 8.072 -4.827 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.322 8.848 -6.303 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.960 9.566 -4.935 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.458 10.393 -4.576 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.604 10.528 -7.387 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.631 10.390 -6.448 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.023 12.113 -6.485 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.679 13.122 -6.647 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.366 13.646 -6.597 1.00 0.00 H new ATOM 1231 N GLU A 76 -5.381 5.803 -7.310 1.00 0.00 N ATOM 1232 CA GLU A 76 -6.538 5.445 -8.162 1.00 0.00 C ATOM 1233 C GLU A 76 -7.744 5.211 -7.261 1.00 0.00 C ATOM 1234 O GLU A 76 -8.822 5.712 -7.503 1.00 0.00 O ATOM 1235 CB GLU A 76 -6.179 4.158 -8.887 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.428 4.448 -10.195 1.00 0.00 C ATOM 1237 CD GLU A 76 -4.704 5.799 -10.127 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -3.654 5.856 -9.508 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -5.214 6.751 -10.695 1.00 0.00 O ATOM 0 H GLU A 76 -4.566 5.200 -7.424 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.773 6.232 -8.878 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.562 3.534 -8.241 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.086 3.594 -9.103 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.706 3.654 -10.387 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.130 4.449 -11.029 1.00 0.00 H new ATOM 1246 N ALA A 77 -7.556 4.467 -6.205 1.00 0.00 N ATOM 1247 CA ALA A 77 -8.668 4.222 -5.265 1.00 0.00 C ATOM 1248 C ALA A 77 -9.037 5.571 -4.671 1.00 0.00 C ATOM 1249 O ALA A 77 -10.194 5.891 -4.485 1.00 0.00 O ATOM 1250 CB ALA A 77 -8.230 3.255 -4.159 1.00 0.00 C ATOM 0 H ALA A 77 -6.673 4.020 -5.958 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.519 3.770 -5.774 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.061 3.085 -3.474 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.926 2.307 -4.604 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.391 3.684 -3.611 1.00 0.00 H new ATOM 1256 N LYS A 78 -8.050 6.394 -4.419 1.00 0.00 N ATOM 1257 CA LYS A 78 -8.345 7.751 -3.894 1.00 0.00 C ATOM 1258 C LYS A 78 -9.253 8.431 -4.908 1.00 0.00 C ATOM 1259 O LYS A 78 -10.071 9.270 -4.590 1.00 0.00 O ATOM 1260 CB LYS A 78 -7.046 8.540 -3.806 1.00 0.00 C ATOM 1261 CG LYS A 78 -7.085 9.475 -2.595 1.00 0.00 C ATOM 1262 CD LYS A 78 -7.128 10.927 -3.075 1.00 0.00 C ATOM 1263 CE LYS A 78 -7.313 11.857 -1.875 1.00 0.00 C ATOM 1264 NZ LYS A 78 -6.284 12.934 -1.918 1.00 0.00 N ATOM 0 H LYS A 78 -7.061 6.182 -4.555 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.811 7.699 -2.910 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.201 7.857 -3.722 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.899 9.118 -4.718 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.959 9.257 -1.982 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.208 9.313 -1.969 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.206 11.174 -3.601 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.946 11.063 -3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.312 12.293 -1.890 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.225 11.292 -0.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.409 13.567 -1.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.335 12.509 -1.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.388 13.479 -2.798 1.00 0.00 H new ATOM 1278 N ALA A 79 -9.081 8.054 -6.139 1.00 0.00 N ATOM 1279 CA ALA A 79 -9.874 8.622 -7.245 1.00 0.00 C ATOM 1280 C ALA A 79 -11.253 7.969 -7.266 1.00 0.00 C ATOM 1281 O ALA A 79 -12.231 8.555 -7.687 1.00 0.00 O ATOM 1282 CB ALA A 79 -9.142 8.302 -8.544 1.00 0.00 C ATOM 0 H ALA A 79 -8.400 7.352 -6.428 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.994 9.699 -7.123 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.702 8.708 -9.387 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.147 8.747 -8.520 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.053 7.221 -8.655 1.00 0.00 H new ATOM 1288 N GLU A 80 -11.320 6.747 -6.830 1.00 0.00 N ATOM 1289 CA GLU A 80 -12.602 6.004 -6.822 1.00 0.00 C ATOM 1290 C GLU A 80 -13.458 6.401 -5.613 1.00 0.00 C ATOM 1291 O GLU A 80 -14.123 5.573 -5.022 1.00 0.00 O ATOM 1292 CB GLU A 80 -12.289 4.509 -6.758 1.00 0.00 C ATOM 1293 CG GLU A 80 -12.009 3.995 -8.170 1.00 0.00 C ATOM 1294 CD GLU A 80 -13.159 3.098 -8.632 1.00 0.00 C ATOM 1295 OE1 GLU A 80 -14.063 2.871 -7.844 1.00 0.00 O ATOM 1296 OE2 GLU A 80 -13.117 2.652 -9.767 1.00 0.00 O ATOM 0 H GLU A 80 -10.522 6.222 -6.472 1.00 0.00 H new ATOM 0 HA GLU A 80 -13.163 6.242 -7.726 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.426 4.333 -6.116 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.128 3.968 -6.320 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.892 4.834 -8.856 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.072 3.438 -8.185 1.00 0.00 H new ATOM 1303 N GLY A 81 -13.458 7.653 -5.240 1.00 0.00 N ATOM 1304 CA GLY A 81 -14.279 8.079 -4.072 1.00 0.00 C ATOM 1305 C GLY A 81 -13.496 7.834 -2.781 1.00 0.00 C ATOM 1306 O GLY A 81 -13.451 8.673 -1.903 1.00 0.00 O ATOM 0 H GLY A 81 -12.926 8.396 -5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -14.535 9.135 -4.160 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -15.217 7.524 -4.052 1.00 0.00 H new ATOM 1310 N CYS A 82 -12.878 6.691 -2.659 1.00 0.00 N ATOM 1311 CA CYS A 82 -12.098 6.392 -1.432 1.00 0.00 C ATOM 1312 C CYS A 82 -11.238 7.602 -1.068 1.00 0.00 C ATOM 1313 O CYS A 82 -10.729 8.295 -1.926 1.00 0.00 O ATOM 1314 CB CYS A 82 -11.201 5.184 -1.694 1.00 0.00 C ATOM 1315 SG CYS A 82 -12.189 3.838 -2.393 1.00 0.00 S ATOM 0 H CYS A 82 -12.882 5.951 -3.361 1.00 0.00 H new ATOM 0 HA CYS A 82 -12.776 6.173 -0.607 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -10.399 5.455 -2.381 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -10.730 4.860 -0.766 1.00 0.00 H new ATOM 0 HG CYS A 82 -12.719 3.143 -1.430 1.00 0.00 H new ATOM 1321 N ASP A 83 -11.077 7.865 0.198 1.00 0.00 N ATOM 1322 CA ASP A 83 -10.257 9.033 0.617 1.00 0.00 C ATOM 1323 C ASP A 83 -8.915 8.550 1.173 1.00 0.00 C ATOM 1324 O ASP A 83 -8.670 8.608 2.362 1.00 0.00 O ATOM 1325 CB ASP A 83 -11.006 9.807 1.700 1.00 0.00 C ATOM 1326 CG ASP A 83 -10.372 11.188 1.876 1.00 0.00 C ATOM 1327 OD1 ASP A 83 -9.295 11.396 1.342 1.00 0.00 O ATOM 1328 OD2 ASP A 83 -10.975 12.014 2.541 1.00 0.00 O ATOM 0 H ASP A 83 -11.479 7.320 0.961 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.078 9.679 -0.242 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.056 9.910 1.427 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.974 9.258 2.641 1.00 0.00 H new ATOM 1333 N ILE A 84 -8.041 8.077 0.326 1.00 0.00 N ATOM 1334 CA ILE A 84 -6.718 7.602 0.819 1.00 0.00 C ATOM 1335 C ILE A 84 -5.702 8.743 0.728 1.00 0.00 C ATOM 1336 O ILE A 84 -4.996 8.880 -0.251 1.00 0.00 O ATOM 1337 CB ILE A 84 -6.238 6.418 -0.026 1.00 0.00 C ATOM 1338 CG1 ILE A 84 -7.065 5.183 0.315 1.00 0.00 C ATOM 1339 CG2 ILE A 84 -4.770 6.126 0.287 1.00 0.00 C ATOM 1340 CD1 ILE A 84 -8.319 5.147 -0.553 1.00 0.00 C ATOM 0 H ILE A 84 -8.185 7.999 -0.681 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.816 7.281 1.856 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.350 6.664 -1.082 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.474 4.282 0.154 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.341 5.198 1.369 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.430 5.283 -0.315 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.167 7.004 0.055 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.665 5.882 1.344 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.907 4.263 -0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.914 6.042 -0.370 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.033 5.111 -1.604 1.00 0.00 H new ATOM 1352 N THR A 85 -5.617 9.556 1.744 1.00 0.00 N ATOM 1353 CA THR A 85 -4.640 10.680 1.718 1.00 0.00 C ATOM 1354 C THR A 85 -3.248 10.118 1.429 1.00 0.00 C ATOM 1355 O THR A 85 -2.558 9.656 2.316 1.00 0.00 O ATOM 1356 CB THR A 85 -4.636 11.387 3.076 1.00 0.00 C ATOM 1357 OG1 THR A 85 -5.856 12.096 3.242 1.00 0.00 O ATOM 1358 CG2 THR A 85 -3.461 12.365 3.142 1.00 0.00 C ATOM 0 H THR A 85 -6.182 9.491 2.591 1.00 0.00 H new ATOM 0 HA THR A 85 -4.918 11.395 0.944 1.00 0.00 H new ATOM 0 HB THR A 85 -4.534 10.648 3.871 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.856 12.548 4.112 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.460 12.867 4.109 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.526 11.819 3.015 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.559 13.106 2.349 1.00 0.00 H new ATOM 1366 N ILE A 86 -2.833 10.145 0.194 1.00 0.00 N ATOM 1367 CA ILE A 86 -1.491 9.601 -0.152 1.00 0.00 C ATOM 1368 C ILE A 86 -0.402 10.537 0.367 1.00 0.00 C ATOM 1369 O ILE A 86 -0.200 11.618 -0.148 1.00 0.00 O ATOM 1370 CB ILE A 86 -1.366 9.472 -1.669 1.00 0.00 C ATOM 1371 CG1 ILE A 86 -2.595 8.746 -2.216 1.00 0.00 C ATOM 1372 CG2 ILE A 86 -0.109 8.672 -2.012 1.00 0.00 C ATOM 1373 CD1 ILE A 86 -2.541 7.276 -1.803 1.00 0.00 C ATOM 0 H ILE A 86 -3.365 10.520 -0.591 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.374 8.620 0.310 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.297 10.464 -2.115 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.505 9.209 -1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.627 8.829 -3.302 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.020 8.580 -3.094 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.768 9.186 -1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.177 7.679 -1.568 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.417 6.756 -2.192 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.638 6.818 -2.206 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.530 7.204 -0.715 1.00 0.00 H new ATOM 1385 N ILE A 87 0.313 10.123 1.376 1.00 0.00 N ATOM 1386 CA ILE A 87 1.399 10.983 1.916 1.00 0.00 C ATOM 1387 C ILE A 87 2.745 10.375 1.520 1.00 0.00 C ATOM 1388 O ILE A 87 3.250 9.476 2.166 1.00 0.00 O ATOM 1389 CB ILE A 87 1.284 11.063 3.439 1.00 0.00 C ATOM 1390 CG1 ILE A 87 0.061 11.905 3.811 1.00 0.00 C ATOM 1391 CG2 ILE A 87 2.542 11.714 4.015 1.00 0.00 C ATOM 1392 CD1 ILE A 87 -0.290 11.673 5.282 1.00 0.00 C ATOM 0 H ILE A 87 0.191 9.227 1.848 1.00 0.00 H new ATOM 0 HA ILE A 87 1.318 11.991 1.508 1.00 0.00 H new ATOM 0 HB ILE A 87 1.176 10.058 3.848 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.267 12.961 3.637 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.785 11.637 3.178 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.458 11.770 5.100 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.415 11.118 3.749 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.651 12.719 3.607 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.161 12.272 5.547 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.514 10.618 5.441 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.554 11.963 5.908 1.00 0.00 H new ATOM 1404 N LEU A 88 3.319 10.850 0.448 1.00 0.00 N ATOM 1405 CA LEU A 88 4.623 10.300 -0.015 1.00 0.00 C ATOM 1406 C LEU A 88 5.772 11.030 0.683 1.00 0.00 C ATOM 1407 O LEU A 88 5.829 12.244 0.701 1.00 0.00 O ATOM 1408 CB LEU A 88 4.734 10.488 -1.527 1.00 0.00 C ATOM 1409 CG LEU A 88 3.469 9.958 -2.224 1.00 0.00 C ATOM 1410 CD1 LEU A 88 3.859 9.379 -3.578 1.00 0.00 C ATOM 1411 CD2 LEU A 88 2.804 8.852 -1.391 1.00 0.00 C ATOM 0 H LEU A 88 2.938 11.599 -0.129 1.00 0.00 H new ATOM 0 HA LEU A 88 4.680 9.239 0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.871 11.544 -1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.612 9.962 -1.902 1.00 0.00 H new ATOM 0 HG LEU A 88 2.765 10.782 -2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.970 9.000 -4.081 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.317 10.157 -4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.569 8.565 -3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.912 8.495 -1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.503 8.026 -1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.525 9.250 -0.415 1.00 0.00 H new ATOM 1423 N SER A 89 6.689 10.300 1.257 1.00 0.00 N ATOM 1424 CA SER A 89 7.833 10.953 1.952 1.00 0.00 C ATOM 1425 C SER A 89 9.002 11.105 0.977 1.00 0.00 C ATOM 1426 O SER A 89 10.061 10.572 1.265 1.00 0.00 O ATOM 1427 CB SER A 89 8.267 10.091 3.138 1.00 0.00 C ATOM 1428 OG SER A 89 9.546 10.520 3.587 1.00 0.00 O ATOM 1429 OXT SER A 89 8.819 11.752 -0.041 1.00 0.00 O ATOM 0 H SER A 89 6.695 9.280 1.274 1.00 0.00 H new ATOM 0 HA SER A 89 7.528 11.936 2.310 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.540 10.171 3.946 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.305 9.042 2.845 1.00 0.00 H new ATOM 0 HG SER A 89 10.215 10.335 2.895 1.00 0.00 H new