USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 709 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 72 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 74 LYS NZ :NH3+ -111:sc= 0.0531 (180deg=0) USER MOD Set 1.3: A 79 HIS : no HE2:sc= -1.09 X(o=-2.3,f=-2) USER MOD Set 1.4: A 83 SER OG : rot -56:sc= -1.23 USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.0157 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0118 USER MOD Single : A 11 SER OG : rot 39:sc= 0.465 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.994 K(o=-0.99,f=-0.25) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 148:sc= -0.191 (180deg=-0.89) USER MOD Single : A 34 SER OG : rot -25:sc= 0.486 USER MOD Single : A 36 HIS : no HD1:sc= -0.766 X(o=-0.77,f=-0.68) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -110:sc= -1.57! (180deg=-4.37!) USER MOD Single : A 55 ASN : amide:sc= -1.88! C(o=-1.9!,f=-1.8!) USER MOD Single : A 56 SER OG : rot 62:sc= 0.871 USER MOD Single : A 57 HIS : no HE2:sc= -4.05! K(o=-4!,f=-5.2) USER MOD Single : A 58 CYS SG : rot 180:sc= -0.0986 USER MOD Single : A 64 GLN : amide:sc= -1.35! K(o=-1.3!,f=-0.73) USER MOD Single : A 66 MET CE :methyl -122:sc= -1.33 (180deg=-2.62!) USER MOD Single : A 69 HIS : no HE2:sc= -3.86! C(o=-3.9!,f=-6!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 75 TYR OH : rot 180:sc= -0.373 USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc=-0.000135 X(o=-0.00013,f=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.511 USER MOD Single : A 97 SER OG : rot -43:sc= 0.497 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.390 7.502 -0.367 1.00 0.00 N ATOM 2 CA GLY A 1 -19.142 7.443 -1.796 1.00 0.00 C ATOM 3 C GLY A 1 -20.282 6.792 -2.555 1.00 0.00 C ATOM 4 O GLY A 1 -21.448 6.953 -2.195 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.170 8.456 -0.016 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.390 7.285 -0.179 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.788 6.807 0.119 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.985 8.452 -2.177 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.223 6.887 -1.980 1.00 0.00 H new ATOM 8 N SER A 2 -19.944 6.057 -3.610 1.00 0.00 N ATOM 9 CA SER A 2 -20.948 5.384 -4.425 1.00 0.00 C ATOM 10 C SER A 2 -20.832 3.869 -4.290 1.00 0.00 C ATOM 11 O SER A 2 -19.839 3.355 -3.774 1.00 0.00 O ATOM 12 CB SER A 2 -20.799 5.790 -5.893 1.00 0.00 C ATOM 13 OG SER A 2 -21.066 7.170 -6.070 1.00 0.00 O ATOM 0 H SER A 2 -18.983 5.913 -3.920 1.00 0.00 H new ATOM 0 HA SER A 2 -21.932 5.688 -4.069 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.789 5.565 -6.235 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.482 5.203 -6.507 1.00 0.00 H new ATOM 0 HG SER A 2 -20.962 7.405 -7.016 1.00 0.00 H new ATOM 19 N SER A 3 -21.853 3.159 -4.758 1.00 0.00 N ATOM 20 CA SER A 3 -21.869 1.703 -4.687 1.00 0.00 C ATOM 21 C SER A 3 -21.254 1.091 -5.942 1.00 0.00 C ATOM 22 O SER A 3 -21.040 1.777 -6.940 1.00 0.00 O ATOM 23 CB SER A 3 -23.301 1.195 -4.507 1.00 0.00 C ATOM 24 OG SER A 3 -23.318 -0.064 -3.856 1.00 0.00 O ATOM 0 H SER A 3 -22.681 3.569 -5.191 1.00 0.00 H new ATOM 0 HA SER A 3 -21.273 1.400 -3.826 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.876 1.916 -3.926 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.785 1.111 -5.480 1.00 0.00 H new ATOM 0 HG SER A 3 -24.245 -0.366 -3.752 1.00 0.00 H new ATOM 30 N GLY A 4 -20.971 -0.207 -5.882 1.00 0.00 N ATOM 31 CA GLY A 4 -20.383 -0.891 -7.019 1.00 0.00 C ATOM 32 C GLY A 4 -21.143 -2.148 -7.396 1.00 0.00 C ATOM 33 O GLY A 4 -22.327 -2.090 -7.726 1.00 0.00 O ATOM 0 H GLY A 4 -21.138 -0.797 -5.067 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.359 -0.215 -7.873 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.350 -1.150 -6.789 1.00 0.00 H new ATOM 37 N SER A 5 -20.459 -3.287 -7.349 1.00 0.00 N ATOM 38 CA SER A 5 -21.076 -4.563 -7.694 1.00 0.00 C ATOM 39 C SER A 5 -21.003 -5.536 -6.521 1.00 0.00 C ATOM 40 O SER A 5 -20.357 -5.259 -5.510 1.00 0.00 O ATOM 41 CB SER A 5 -20.389 -5.171 -8.918 1.00 0.00 C ATOM 42 OG SER A 5 -19.002 -5.349 -8.689 1.00 0.00 O ATOM 0 H SER A 5 -19.478 -3.352 -7.076 1.00 0.00 H new ATOM 0 HA SER A 5 -22.125 -4.380 -7.928 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.847 -6.131 -9.157 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.538 -4.523 -9.782 1.00 0.00 H new ATOM 0 HG SER A 5 -18.587 -5.740 -9.486 1.00 0.00 H new ATOM 48 N SER A 6 -21.671 -6.676 -6.664 1.00 0.00 N ATOM 49 CA SER A 6 -21.687 -7.689 -5.615 1.00 0.00 C ATOM 50 C SER A 6 -21.068 -8.993 -6.111 1.00 0.00 C ATOM 51 O SER A 6 -21.408 -9.486 -7.185 1.00 0.00 O ATOM 52 CB SER A 6 -23.119 -7.940 -5.140 1.00 0.00 C ATOM 53 OG SER A 6 -23.802 -8.817 -6.019 1.00 0.00 O ATOM 0 H SER A 6 -22.208 -6.921 -7.496 1.00 0.00 H new ATOM 0 HA SER A 6 -21.094 -7.320 -4.778 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.103 -8.365 -4.137 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.656 -6.993 -5.076 1.00 0.00 H new ATOM 0 HG SER A 6 -24.714 -8.963 -5.692 1.00 0.00 H new ATOM 59 N GLY A 7 -20.155 -9.546 -5.317 1.00 0.00 N ATOM 60 CA GLY A 7 -19.502 -10.787 -5.691 1.00 0.00 C ATOM 61 C GLY A 7 -17.999 -10.730 -5.505 1.00 0.00 C ATOM 62 O GLY A 7 -17.509 -10.192 -4.511 1.00 0.00 O ATOM 0 H GLY A 7 -19.857 -9.157 -4.423 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.908 -11.602 -5.093 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.728 -11.013 -6.733 1.00 0.00 H new ATOM 66 N ARG A 8 -17.264 -11.288 -6.462 1.00 0.00 N ATOM 67 CA ARG A 8 -15.807 -11.300 -6.397 1.00 0.00 C ATOM 68 C ARG A 8 -15.231 -9.967 -6.863 1.00 0.00 C ATOM 69 O ARG A 8 -15.760 -9.336 -7.777 1.00 0.00 O ATOM 70 CB ARG A 8 -15.248 -12.437 -7.254 1.00 0.00 C ATOM 71 CG ARG A 8 -15.686 -12.377 -8.708 1.00 0.00 C ATOM 72 CD ARG A 8 -15.179 -13.576 -9.493 1.00 0.00 C ATOM 73 NE ARG A 8 -15.707 -13.602 -10.855 1.00 0.00 N ATOM 74 CZ ARG A 8 -15.320 -14.477 -11.776 1.00 0.00 C ATOM 75 NH1 ARG A 8 -14.407 -15.393 -11.484 1.00 0.00 N ATOM 76 NH2 ARG A 8 -15.847 -14.437 -12.994 1.00 0.00 N ATOM 0 H ARG A 8 -17.653 -11.737 -7.291 1.00 0.00 H new ATOM 0 HA ARG A 8 -15.515 -11.458 -5.359 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -14.159 -12.412 -7.210 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -15.562 -13.390 -6.828 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -16.774 -12.341 -8.760 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -15.314 -11.459 -9.163 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -14.090 -13.553 -9.527 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -15.462 -14.493 -8.977 1.00 0.00 H new ATOM 0 HE ARG A 8 -16.411 -12.910 -11.113 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -14.000 -15.427 -10.550 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -14.112 -16.064 -12.194 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -16.550 -13.734 -13.223 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.549 -15.109 -13.701 1.00 0.00 H new ATOM 90 N ALA A 9 -14.143 -9.544 -6.226 1.00 0.00 N ATOM 91 CA ALA A 9 -13.494 -8.286 -6.576 1.00 0.00 C ATOM 92 C ALA A 9 -12.115 -8.530 -7.179 1.00 0.00 C ATOM 93 O ALA A 9 -11.393 -9.448 -6.788 1.00 0.00 O ATOM 94 CB ALA A 9 -13.386 -7.390 -5.352 1.00 0.00 C ATOM 0 H ALA A 9 -13.693 -10.054 -5.466 1.00 0.00 H new ATOM 0 HA ALA A 9 -14.106 -7.785 -7.326 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.900 -6.454 -5.628 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -14.383 -7.180 -4.965 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -12.798 -7.892 -4.584 1.00 0.00 H new ATOM 100 N PRO A 10 -11.738 -7.690 -8.155 1.00 0.00 N ATOM 101 CA PRO A 10 -10.442 -7.795 -8.832 1.00 0.00 C ATOM 102 C PRO A 10 -9.279 -7.415 -7.922 1.00 0.00 C ATOM 103 O PRO A 10 -9.034 -6.235 -7.672 1.00 0.00 O ATOM 104 CB PRO A 10 -10.564 -6.798 -9.987 1.00 0.00 C ATOM 105 CG PRO A 10 -11.577 -5.807 -9.527 1.00 0.00 C ATOM 106 CD PRO A 10 -12.547 -6.574 -8.671 1.00 0.00 C ATOM 0 HA PRO A 10 -10.231 -8.816 -9.151 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.608 -6.318 -10.198 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.882 -7.292 -10.905 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.107 -5.003 -8.960 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.084 -5.345 -10.374 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.944 -5.959 -7.864 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.400 -6.930 -9.250 1.00 0.00 H new ATOM 114 N SER A 11 -8.566 -8.422 -7.429 1.00 0.00 N ATOM 115 CA SER A 11 -7.430 -8.194 -6.543 1.00 0.00 C ATOM 116 C SER A 11 -6.683 -6.923 -6.935 1.00 0.00 C ATOM 117 O SER A 11 -6.049 -6.862 -7.989 1.00 0.00 O ATOM 118 CB SER A 11 -6.479 -9.391 -6.580 1.00 0.00 C ATOM 119 OG SER A 11 -6.061 -9.670 -7.905 1.00 0.00 O ATOM 0 H SER A 11 -8.755 -9.404 -7.628 1.00 0.00 H new ATOM 0 HA SER A 11 -7.810 -8.073 -5.529 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.609 -9.187 -5.956 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.975 -10.266 -6.160 1.00 0.00 H new ATOM 0 HG SER A 11 -5.916 -8.829 -8.386 1.00 0.00 H new ATOM 125 N VAL A 12 -6.762 -5.909 -6.079 1.00 0.00 N ATOM 126 CA VAL A 12 -6.092 -4.639 -6.334 1.00 0.00 C ATOM 127 C VAL A 12 -4.582 -4.773 -6.177 1.00 0.00 C ATOM 128 O VAL A 12 -3.824 -3.906 -6.610 1.00 0.00 O ATOM 129 CB VAL A 12 -6.600 -3.537 -5.386 1.00 0.00 C ATOM 130 CG1 VAL A 12 -7.938 -2.993 -5.866 1.00 0.00 C ATOM 131 CG2 VAL A 12 -6.711 -4.066 -3.964 1.00 0.00 C ATOM 0 H VAL A 12 -7.283 -5.942 -5.203 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.324 -4.359 -7.362 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.879 -2.719 -5.390 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.281 -2.215 -5.183 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.823 -2.573 -6.865 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.670 -3.800 -5.894 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.071 -3.274 -3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.410 -4.902 -3.940 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.732 -4.402 -3.623 1.00 0.00 H new ATOM 141 N ALA A 13 -4.152 -5.866 -5.555 1.00 0.00 N ATOM 142 CA ALA A 13 -2.731 -6.115 -5.343 1.00 0.00 C ATOM 143 C ALA A 13 -2.369 -7.555 -5.688 1.00 0.00 C ATOM 144 O ALA A 13 -3.217 -8.332 -6.130 1.00 0.00 O ATOM 145 CB ALA A 13 -2.350 -5.803 -3.904 1.00 0.00 C ATOM 0 H ALA A 13 -4.767 -6.593 -5.189 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.169 -5.458 -6.007 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.286 -5.993 -3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.564 -4.756 -3.690 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.927 -6.436 -3.230 1.00 0.00 H new ATOM 151 N THR A 14 -1.103 -7.907 -5.485 1.00 0.00 N ATOM 152 CA THR A 14 -0.628 -9.254 -5.776 1.00 0.00 C ATOM 153 C THR A 14 0.336 -9.741 -4.701 1.00 0.00 C ATOM 154 O THR A 14 1.069 -8.951 -4.105 1.00 0.00 O ATOM 155 CB THR A 14 0.073 -9.319 -7.146 1.00 0.00 C ATOM 156 OG1 THR A 14 -0.790 -8.797 -8.163 1.00 0.00 O ATOM 157 CG2 THR A 14 0.461 -10.749 -7.488 1.00 0.00 C ATOM 0 H THR A 14 -0.388 -7.278 -5.120 1.00 0.00 H new ATOM 0 HA THR A 14 -1.505 -9.901 -5.794 1.00 0.00 H new ATOM 0 HB THR A 14 0.980 -8.716 -7.095 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.337 -8.840 -9.031 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.954 -10.770 -8.460 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.141 -11.133 -6.728 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.434 -11.371 -7.522 1.00 0.00 H new ATOM 165 N VAL A 15 0.333 -11.048 -4.457 1.00 0.00 N ATOM 166 CA VAL A 15 1.210 -11.641 -3.455 1.00 0.00 C ATOM 167 C VAL A 15 2.617 -11.841 -4.004 1.00 0.00 C ATOM 168 O VAL A 15 2.795 -12.256 -5.149 1.00 0.00 O ATOM 169 CB VAL A 15 0.665 -12.996 -2.964 1.00 0.00 C ATOM 170 CG1 VAL A 15 0.623 -14.000 -4.105 1.00 0.00 C ATOM 171 CG2 VAL A 15 1.506 -13.522 -1.810 1.00 0.00 C ATOM 0 H VAL A 15 -0.267 -11.716 -4.940 1.00 0.00 H new ATOM 0 HA VAL A 15 1.247 -10.946 -2.616 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.353 -12.849 -2.604 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.235 -14.951 -3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.025 -13.624 -4.897 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.629 -14.146 -4.499 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.107 -14.480 -1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.536 -13.654 -2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.478 -12.810 -0.985 1.00 0.00 H new ATOM 181 N GLY A 16 3.617 -11.543 -3.180 1.00 0.00 N ATOM 182 CA GLY A 16 4.997 -11.697 -3.601 1.00 0.00 C ATOM 183 C GLY A 16 5.480 -10.531 -4.440 1.00 0.00 C ATOM 184 O GLY A 16 6.629 -10.104 -4.319 1.00 0.00 O ATOM 0 H GLY A 16 3.496 -11.198 -2.228 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.633 -11.796 -2.721 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.098 -12.619 -4.173 1.00 0.00 H new ATOM 188 N SER A 17 4.603 -10.015 -5.295 1.00 0.00 N ATOM 189 CA SER A 17 4.948 -8.894 -6.162 1.00 0.00 C ATOM 190 C SER A 17 4.957 -7.585 -5.380 1.00 0.00 C ATOM 191 O SER A 17 4.114 -7.363 -4.510 1.00 0.00 O ATOM 192 CB SER A 17 3.960 -8.800 -7.326 1.00 0.00 C ATOM 193 OG SER A 17 3.996 -9.972 -8.122 1.00 0.00 O ATOM 0 H SER A 17 3.648 -10.355 -5.406 1.00 0.00 H new ATOM 0 HA SER A 17 5.949 -9.067 -6.557 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.952 -8.650 -6.940 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.199 -7.932 -7.940 1.00 0.00 H new ATOM 0 HG SER A 17 3.354 -9.887 -8.858 1.00 0.00 H new ATOM 199 N ILE A 18 5.916 -6.721 -5.695 1.00 0.00 N ATOM 200 CA ILE A 18 6.034 -5.433 -5.023 1.00 0.00 C ATOM 201 C ILE A 18 4.799 -4.572 -5.263 1.00 0.00 C ATOM 202 O ILE A 18 4.393 -4.355 -6.406 1.00 0.00 O ATOM 203 CB ILE A 18 7.282 -4.664 -5.496 1.00 0.00 C ATOM 204 CG1 ILE A 18 8.529 -5.541 -5.365 1.00 0.00 C ATOM 205 CG2 ILE A 18 7.445 -3.378 -4.699 1.00 0.00 C ATOM 206 CD1 ILE A 18 8.983 -5.734 -3.935 1.00 0.00 C ATOM 0 H ILE A 18 6.622 -6.890 -6.411 1.00 0.00 H new ATOM 0 HA ILE A 18 6.127 -5.641 -3.957 1.00 0.00 H new ATOM 0 HB ILE A 18 7.154 -4.403 -6.547 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.326 -6.516 -5.808 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.341 -5.093 -5.938 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.331 -2.846 -5.045 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.566 -2.749 -4.839 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.555 -3.617 -3.641 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.871 -6.366 -3.917 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.218 -4.765 -3.494 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.188 -6.210 -3.362 1.00 0.00 H new ATOM 218 N CYS A 19 4.206 -4.082 -4.180 1.00 0.00 N ATOM 219 CA CYS A 19 3.017 -3.243 -4.273 1.00 0.00 C ATOM 220 C CYS A 19 3.375 -1.770 -4.100 1.00 0.00 C ATOM 221 O CYS A 19 3.788 -1.344 -3.021 1.00 0.00 O ATOM 222 CB CYS A 19 1.991 -3.658 -3.217 1.00 0.00 C ATOM 223 SG CYS A 19 0.287 -3.216 -3.629 1.00 0.00 S ATOM 0 H CYS A 19 4.529 -4.251 -3.227 1.00 0.00 H new ATOM 0 HA CYS A 19 2.584 -3.379 -5.264 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.050 -4.737 -3.073 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.256 -3.194 -2.267 1.00 0.00 H new ATOM 0 HG CYS A 19 -0.506 -3.610 -2.677 1.00 0.00 H new ATOM 229 N ASP A 20 3.217 -0.999 -5.170 1.00 0.00 N ATOM 230 CA ASP A 20 3.525 0.426 -5.138 1.00 0.00 C ATOM 231 C ASP A 20 2.252 1.253 -4.987 1.00 0.00 C ATOM 232 O ASP A 20 1.301 1.095 -5.754 1.00 0.00 O ATOM 233 CB ASP A 20 4.268 0.838 -6.409 1.00 0.00 C ATOM 234 CG ASP A 20 5.568 0.079 -6.592 1.00 0.00 C ATOM 235 OD1 ASP A 20 5.530 -1.169 -6.593 1.00 0.00 O ATOM 236 OD2 ASP A 20 6.623 0.732 -6.733 1.00 0.00 O ATOM 0 H ASP A 20 2.877 -1.337 -6.071 1.00 0.00 H new ATOM 0 HA ASP A 20 4.165 0.615 -4.276 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.626 0.667 -7.273 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.477 1.907 -6.374 1.00 0.00 H new ATOM 241 N LEU A 21 2.240 2.135 -3.994 1.00 0.00 N ATOM 242 CA LEU A 21 1.083 2.988 -3.741 1.00 0.00 C ATOM 243 C LEU A 21 1.359 4.423 -4.177 1.00 0.00 C ATOM 244 O LEU A 21 2.078 5.159 -3.502 1.00 0.00 O ATOM 245 CB LEU A 21 0.715 2.954 -2.257 1.00 0.00 C ATOM 246 CG LEU A 21 -0.761 3.180 -1.927 1.00 0.00 C ATOM 247 CD1 LEU A 21 -1.553 1.896 -2.119 1.00 0.00 C ATOM 248 CD2 LEU A 21 -0.916 3.697 -0.504 1.00 0.00 C ATOM 0 H LEU A 21 3.018 2.279 -3.350 1.00 0.00 H new ATOM 0 HA LEU A 21 0.246 2.606 -4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.014 1.988 -1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.303 3.712 -1.740 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.156 3.932 -2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.601 2.076 -1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.469 1.568 -3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.158 1.123 -1.460 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.973 3.852 -0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.505 2.968 0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.382 4.641 -0.400 1.00 0.00 H new ATOM 260 N ASN A 22 0.781 4.815 -5.307 1.00 0.00 N ATOM 261 CA ASN A 22 0.964 6.163 -5.832 1.00 0.00 C ATOM 262 C ASN A 22 0.096 7.164 -5.074 1.00 0.00 C ATOM 263 O ASN A 22 -1.131 7.062 -5.072 1.00 0.00 O ATOM 264 CB ASN A 22 0.623 6.203 -7.323 1.00 0.00 C ATOM 265 CG ASN A 22 -0.555 5.315 -7.671 1.00 0.00 C ATOM 266 OD1 ASN A 22 -1.703 5.757 -7.667 1.00 0.00 O ATOM 267 ND2 ASN A 22 -0.274 4.053 -7.975 1.00 0.00 N ATOM 0 H ASN A 22 0.182 4.218 -5.877 1.00 0.00 H new ATOM 0 HA ASN A 22 2.010 6.440 -5.698 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.399 7.229 -7.614 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.493 5.890 -7.900 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.025 3.407 -8.218 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.693 3.729 -7.966 1.00 0.00 H new ATOM 274 N LEU A 23 0.742 8.131 -4.432 1.00 0.00 N ATOM 275 CA LEU A 23 0.031 9.152 -3.670 1.00 0.00 C ATOM 276 C LEU A 23 0.553 10.545 -4.006 1.00 0.00 C ATOM 277 O LEU A 23 1.750 10.813 -3.902 1.00 0.00 O ATOM 278 CB LEU A 23 0.174 8.889 -2.170 1.00 0.00 C ATOM 279 CG LEU A 23 -0.714 7.786 -1.593 1.00 0.00 C ATOM 280 CD1 LEU A 23 -0.261 7.415 -0.190 1.00 0.00 C ATOM 281 CD2 LEU A 23 -2.172 8.225 -1.587 1.00 0.00 C ATOM 0 H LEU A 23 1.757 8.230 -4.424 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.023 9.104 -3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.214 8.635 -1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.040 9.816 -1.637 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.623 6.904 -2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.905 6.629 0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.769 7.059 -0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.322 8.291 0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.790 7.428 -1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.279 9.122 -0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.492 8.440 -2.607 1.00 0.00 H new ATOM 293 N LYS A 24 -0.354 11.429 -4.409 1.00 0.00 N ATOM 294 CA LYS A 24 0.013 12.797 -4.757 1.00 0.00 C ATOM 295 C LYS A 24 -0.536 13.785 -3.734 1.00 0.00 C ATOM 296 O LYS A 24 -1.657 14.276 -3.871 1.00 0.00 O ATOM 297 CB LYS A 24 -0.510 13.147 -6.152 1.00 0.00 C ATOM 298 CG LYS A 24 -1.997 12.890 -6.327 1.00 0.00 C ATOM 299 CD LYS A 24 -2.405 12.950 -7.789 1.00 0.00 C ATOM 300 CE LYS A 24 -3.857 12.539 -7.979 1.00 0.00 C ATOM 301 NZ LYS A 24 -4.239 12.500 -9.418 1.00 0.00 N ATOM 0 H LYS A 24 -1.348 11.222 -4.503 1.00 0.00 H new ATOM 0 HA LYS A 24 1.101 12.867 -4.755 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.305 14.198 -6.354 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.040 12.567 -6.893 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.249 11.911 -5.918 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.564 13.628 -5.760 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.260 13.962 -8.167 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.760 12.295 -8.375 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.018 11.557 -7.534 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.505 13.238 -7.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.236 12.216 -9.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.110 13.443 -9.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.638 11.814 -9.918 1.00 0.00 H new ATOM 315 N ILE A 25 0.260 14.073 -2.710 1.00 0.00 N ATOM 316 CA ILE A 25 -0.146 15.005 -1.665 1.00 0.00 C ATOM 317 C ILE A 25 0.968 15.996 -1.349 1.00 0.00 C ATOM 318 O ILE A 25 1.868 15.725 -0.554 1.00 0.00 O ATOM 319 CB ILE A 25 -0.541 14.265 -0.373 1.00 0.00 C ATOM 320 CG1 ILE A 25 -1.539 13.147 -0.684 1.00 0.00 C ATOM 321 CG2 ILE A 25 -1.127 15.239 0.637 1.00 0.00 C ATOM 322 CD1 ILE A 25 -1.509 12.014 0.317 1.00 0.00 C ATOM 0 H ILE A 25 1.190 13.674 -2.582 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.013 15.546 -2.044 1.00 0.00 H new ATOM 0 HB ILE A 25 0.354 13.818 0.060 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.544 13.567 -0.715 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.329 12.749 -1.677 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.401 14.701 1.544 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.387 16.003 0.877 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.013 15.712 0.214 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.242 11.258 0.033 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.515 11.568 0.332 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.749 12.398 1.308 1.00 0.00 H new ATOM 334 N PRO A 26 0.907 17.176 -1.985 1.00 0.00 N ATOM 335 CA PRO A 26 1.902 18.234 -1.786 1.00 0.00 C ATOM 336 C PRO A 26 1.809 18.865 -0.400 1.00 0.00 C ATOM 337 O PRO A 26 2.819 19.036 0.282 1.00 0.00 O ATOM 338 CB PRO A 26 1.549 19.261 -2.865 1.00 0.00 C ATOM 339 CG PRO A 26 0.101 19.040 -3.138 1.00 0.00 C ATOM 340 CD PRO A 26 -0.137 17.568 -2.945 1.00 0.00 C ATOM 0 HA PRO A 26 2.921 17.853 -1.857 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.736 20.278 -2.520 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.148 19.114 -3.763 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.518 19.628 -2.460 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.156 19.347 -4.152 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.136 17.370 -2.555 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.046 17.020 -3.883 1.00 0.00 H new ATOM 348 N GLU A 27 0.592 19.207 0.009 1.00 0.00 N ATOM 349 CA GLU A 27 0.368 19.819 1.313 1.00 0.00 C ATOM 350 C GLU A 27 1.145 19.081 2.400 1.00 0.00 C ATOM 351 O GLU A 27 1.637 19.692 3.349 1.00 0.00 O ATOM 352 CB GLU A 27 -1.124 19.823 1.651 1.00 0.00 C ATOM 353 CG GLU A 27 -1.510 20.863 2.689 1.00 0.00 C ATOM 354 CD GLU A 27 -2.699 20.436 3.528 1.00 0.00 C ATOM 355 OE1 GLU A 27 -2.485 19.773 4.565 1.00 0.00 O ATOM 356 OE2 GLU A 27 -3.842 20.764 3.149 1.00 0.00 O ATOM 0 H GLU A 27 -0.254 19.071 -0.544 1.00 0.00 H new ATOM 0 HA GLU A 27 0.725 20.848 1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.694 20.003 0.739 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.408 18.836 2.015 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.658 21.052 3.342 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.742 21.803 2.188 1.00 0.00 H new ATOM 363 N ILE A 28 1.250 17.765 2.254 1.00 0.00 N ATOM 364 CA ILE A 28 1.966 16.943 3.222 1.00 0.00 C ATOM 365 C ILE A 28 3.367 16.603 2.724 1.00 0.00 C ATOM 366 O ILE A 28 3.558 16.277 1.554 1.00 0.00 O ATOM 367 CB ILE A 28 1.208 15.637 3.522 1.00 0.00 C ATOM 368 CG1 ILE A 28 -0.233 15.941 3.937 1.00 0.00 C ATOM 369 CG2 ILE A 28 1.923 14.848 4.609 1.00 0.00 C ATOM 370 CD1 ILE A 28 -1.165 14.758 3.795 1.00 0.00 C ATOM 0 H ILE A 28 0.848 17.244 1.474 1.00 0.00 H new ATOM 0 HA ILE A 28 2.041 17.528 4.139 1.00 0.00 H new ATOM 0 HB ILE A 28 1.185 15.031 2.616 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.241 16.277 4.974 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.611 16.765 3.332 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.375 13.927 4.810 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.933 14.605 4.278 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.974 15.446 5.519 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.169 15.046 4.107 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.187 14.435 2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.812 13.939 4.422 1.00 0.00 H new ATOM 382 N ASN A 29 4.343 16.680 3.623 1.00 0.00 N ATOM 383 CA ASN A 29 5.727 16.378 3.276 1.00 0.00 C ATOM 384 C ASN A 29 6.011 14.886 3.418 1.00 0.00 C ATOM 385 O ASN A 29 5.670 14.272 4.429 1.00 0.00 O ATOM 386 CB ASN A 29 6.683 17.178 4.164 1.00 0.00 C ATOM 387 CG ASN A 29 6.609 18.669 3.897 1.00 0.00 C ATOM 388 OD1 ASN A 29 6.219 19.447 4.767 1.00 0.00 O ATOM 389 ND2 ASN A 29 6.984 19.073 2.689 1.00 0.00 N ATOM 0 H ASN A 29 4.201 16.949 4.597 1.00 0.00 H new ATOM 0 HA ASN A 29 5.885 16.662 2.235 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.448 16.987 5.211 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.703 16.832 3.999 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.956 20.064 2.451 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.301 18.392 1.999 1.00 0.00 H new ATOM 396 N SER A 30 6.638 14.309 2.398 1.00 0.00 N ATOM 397 CA SER A 30 6.966 12.888 2.408 1.00 0.00 C ATOM 398 C SER A 30 7.762 12.522 3.657 1.00 0.00 C ATOM 399 O SER A 30 7.797 11.362 4.067 1.00 0.00 O ATOM 400 CB SER A 30 7.762 12.518 1.155 1.00 0.00 C ATOM 401 OG SER A 30 8.282 11.203 1.251 1.00 0.00 O ATOM 0 H SER A 30 6.929 14.803 1.555 1.00 0.00 H new ATOM 0 HA SER A 30 6.033 12.325 2.416 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.121 12.596 0.277 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.579 13.226 1.017 1.00 0.00 H new ATOM 0 HG SER A 30 8.785 10.990 0.437 1.00 0.00 H new ATOM 407 N SER A 31 8.402 13.521 4.257 1.00 0.00 N ATOM 408 CA SER A 31 9.202 13.306 5.457 1.00 0.00 C ATOM 409 C SER A 31 8.314 13.236 6.696 1.00 0.00 C ATOM 410 O SER A 31 8.573 12.459 7.615 1.00 0.00 O ATOM 411 CB SER A 31 10.232 14.425 5.616 1.00 0.00 C ATOM 412 OG SER A 31 11.409 14.144 4.877 1.00 0.00 O ATOM 0 H SER A 31 8.382 14.487 3.931 1.00 0.00 H new ATOM 0 HA SER A 31 9.724 12.355 5.351 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.803 15.369 5.278 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.481 14.547 6.670 1.00 0.00 H new ATOM 0 HG SER A 31 12.051 14.875 4.994 1.00 0.00 H new ATOM 418 N ASP A 32 7.268 14.054 6.713 1.00 0.00 N ATOM 419 CA ASP A 32 6.341 14.086 7.838 1.00 0.00 C ATOM 420 C ASP A 32 5.372 12.909 7.777 1.00 0.00 C ATOM 421 O ASP A 32 4.736 12.564 8.773 1.00 0.00 O ATOM 422 CB ASP A 32 5.562 15.403 7.848 1.00 0.00 C ATOM 423 CG ASP A 32 4.887 15.666 9.179 1.00 0.00 C ATOM 424 OD1 ASP A 32 4.305 14.719 9.747 1.00 0.00 O ATOM 425 OD2 ASP A 32 4.942 16.820 9.654 1.00 0.00 O ATOM 0 H ASP A 32 7.041 14.704 5.960 1.00 0.00 H new ATOM 0 HA ASP A 32 6.922 14.009 8.757 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.241 16.225 7.619 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.809 15.383 7.060 1.00 0.00 H new ATOM 430 N MET A 33 5.266 12.297 6.603 1.00 0.00 N ATOM 431 CA MET A 33 4.375 11.158 6.413 1.00 0.00 C ATOM 432 C MET A 33 4.871 9.943 7.191 1.00 0.00 C ATOM 433 O MET A 33 6.012 9.915 7.653 1.00 0.00 O ATOM 434 CB MET A 33 4.261 10.814 4.926 1.00 0.00 C ATOM 435 CG MET A 33 3.385 11.780 4.145 1.00 0.00 C ATOM 436 SD MET A 33 3.319 11.390 2.386 1.00 0.00 S ATOM 437 CE MET A 33 2.726 9.701 2.435 1.00 0.00 C ATOM 0 H MET A 33 5.786 12.570 5.769 1.00 0.00 H new ATOM 0 HA MET A 33 3.390 11.433 6.792 1.00 0.00 H new ATOM 0 HB2 MET A 33 5.258 10.804 4.486 1.00 0.00 H new ATOM 0 HB3 MET A 33 3.857 9.807 4.824 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.375 11.762 4.555 1.00 0.00 H new ATOM 0 HG3 MET A 33 3.764 12.794 4.275 1.00 0.00 H new ATOM 0 HE1 MET A 33 2.115 9.504 1.554 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.575 9.018 2.448 1.00 0.00 H new ATOM 0 HE3 MET A 33 2.126 9.552 3.333 1.00 0.00 H new ATOM 447 N SER A 34 4.008 8.943 7.331 1.00 0.00 N ATOM 448 CA SER A 34 4.358 7.727 8.057 1.00 0.00 C ATOM 449 C SER A 34 3.483 6.559 7.614 1.00 0.00 C ATOM 450 O SER A 34 2.272 6.558 7.834 1.00 0.00 O ATOM 451 CB SER A 34 4.211 7.947 9.564 1.00 0.00 C ATOM 452 OG SER A 34 4.906 9.110 9.980 1.00 0.00 O ATOM 0 H SER A 34 3.061 8.950 6.952 1.00 0.00 H new ATOM 0 HA SER A 34 5.397 7.485 7.832 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.155 8.039 9.820 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.594 7.079 10.100 1.00 0.00 H new ATOM 0 HG SER A 34 5.633 9.299 9.351 1.00 0.00 H new ATOM 458 N ALA A 35 4.105 5.565 6.989 1.00 0.00 N ATOM 459 CA ALA A 35 3.384 4.389 6.517 1.00 0.00 C ATOM 460 C ALA A 35 3.727 3.162 7.354 1.00 0.00 C ATOM 461 O ALA A 35 4.846 3.031 7.853 1.00 0.00 O ATOM 462 CB ALA A 35 3.696 4.133 5.050 1.00 0.00 C ATOM 0 H ALA A 35 5.107 5.550 6.798 1.00 0.00 H new ATOM 0 HA ALA A 35 2.316 4.581 6.623 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.151 3.252 4.710 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.394 4.997 4.458 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.766 3.966 4.929 1.00 0.00 H new ATOM 468 N HIS A 36 2.758 2.265 7.506 1.00 0.00 N ATOM 469 CA HIS A 36 2.958 1.048 8.284 1.00 0.00 C ATOM 470 C HIS A 36 2.092 -0.088 7.747 1.00 0.00 C ATOM 471 O HIS A 36 0.864 0.002 7.743 1.00 0.00 O ATOM 472 CB HIS A 36 2.633 1.300 9.757 1.00 0.00 C ATOM 473 CG HIS A 36 3.466 2.379 10.378 1.00 0.00 C ATOM 474 ND1 HIS A 36 2.982 3.642 10.645 1.00 0.00 N ATOM 475 CD2 HIS A 36 4.756 2.378 10.785 1.00 0.00 C ATOM 476 CE1 HIS A 36 3.940 4.372 11.189 1.00 0.00 C ATOM 477 NE2 HIS A 36 5.027 3.628 11.285 1.00 0.00 N ATOM 0 H HIS A 36 1.827 2.358 7.101 1.00 0.00 H new ATOM 0 HA HIS A 36 4.005 0.757 8.195 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.580 1.568 9.848 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.776 0.375 10.316 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.445 1.548 10.727 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.849 5.402 11.502 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.922 3.932 11.668 1.00 0.00 H new ATOM 486 N VAL A 37 2.741 -1.157 7.294 1.00 0.00 N ATOM 487 CA VAL A 37 2.031 -2.310 6.756 1.00 0.00 C ATOM 488 C VAL A 37 1.561 -3.237 7.871 1.00 0.00 C ATOM 489 O VAL A 37 2.325 -4.066 8.368 1.00 0.00 O ATOM 490 CB VAL A 37 2.915 -3.108 5.779 1.00 0.00 C ATOM 491 CG1 VAL A 37 2.227 -4.401 5.370 1.00 0.00 C ATOM 492 CG2 VAL A 37 3.253 -2.265 4.558 1.00 0.00 C ATOM 0 H VAL A 37 3.757 -1.247 7.289 1.00 0.00 H new ATOM 0 HA VAL A 37 1.164 -1.924 6.219 1.00 0.00 H new ATOM 0 HB VAL A 37 3.846 -3.365 6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.867 -4.951 4.680 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.040 -5.009 6.255 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.280 -4.171 4.882 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.878 -2.844 3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.333 -1.977 4.049 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.790 -1.370 4.871 1.00 0.00 H new ATOM 502 N THR A 38 0.299 -3.092 8.262 1.00 0.00 N ATOM 503 CA THR A 38 -0.273 -3.916 9.320 1.00 0.00 C ATOM 504 C THR A 38 -0.802 -5.234 8.766 1.00 0.00 C ATOM 505 O THR A 38 -1.219 -5.309 7.610 1.00 0.00 O ATOM 506 CB THR A 38 -1.416 -3.182 10.047 1.00 0.00 C ATOM 507 OG1 THR A 38 -0.969 -1.896 10.489 1.00 0.00 O ATOM 508 CG2 THR A 38 -1.907 -3.991 11.238 1.00 0.00 C ATOM 0 H THR A 38 -0.347 -2.411 7.862 1.00 0.00 H new ATOM 0 HA THR A 38 0.528 -4.120 10.030 1.00 0.00 H new ATOM 0 HB THR A 38 -2.242 -3.058 9.347 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.702 -1.435 10.949 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.714 -3.453 11.736 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.274 -4.958 10.895 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.086 -4.142 11.939 1.00 0.00 H new ATOM 516 N SER A 39 -0.782 -6.270 9.598 1.00 0.00 N ATOM 517 CA SER A 39 -1.257 -7.587 9.189 1.00 0.00 C ATOM 518 C SER A 39 -2.538 -7.957 9.930 1.00 0.00 C ATOM 519 O SER A 39 -2.834 -7.438 11.007 1.00 0.00 O ATOM 520 CB SER A 39 -0.181 -8.644 9.449 1.00 0.00 C ATOM 521 OG SER A 39 0.739 -8.710 8.373 1.00 0.00 O ATOM 0 H SER A 39 -0.442 -6.223 10.559 1.00 0.00 H new ATOM 0 HA SER A 39 -1.473 -7.553 8.121 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.350 -8.408 10.371 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.650 -9.618 9.591 1.00 0.00 H new ATOM 0 HG SER A 39 1.417 -9.391 8.564 1.00 0.00 H new ATOM 527 N PRO A 40 -3.318 -8.875 9.341 1.00 0.00 N ATOM 528 CA PRO A 40 -4.580 -9.336 9.926 1.00 0.00 C ATOM 529 C PRO A 40 -4.364 -10.180 11.178 1.00 0.00 C ATOM 530 O PRO A 40 -5.318 -10.538 11.868 1.00 0.00 O ATOM 531 CB PRO A 40 -5.201 -10.181 8.812 1.00 0.00 C ATOM 532 CG PRO A 40 -4.043 -10.642 7.996 1.00 0.00 C ATOM 533 CD PRO A 40 -3.027 -9.535 8.057 1.00 0.00 C ATOM 0 HA PRO A 40 -5.207 -8.505 10.248 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.759 -11.024 9.219 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.899 -9.596 8.213 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.632 -11.571 8.391 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.344 -10.839 6.967 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.009 -9.922 8.026 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.132 -8.847 7.218 1.00 0.00 H new ATOM 541 N SER A 41 -3.105 -10.493 11.465 1.00 0.00 N ATOM 542 CA SER A 41 -2.765 -11.298 12.632 1.00 0.00 C ATOM 543 C SER A 41 -2.362 -10.410 13.806 1.00 0.00 C ATOM 544 O SER A 41 -2.457 -10.812 14.964 1.00 0.00 O ATOM 545 CB SER A 41 -1.629 -12.266 12.297 1.00 0.00 C ATOM 546 OG SER A 41 -0.408 -11.573 12.104 1.00 0.00 O ATOM 0 H SER A 41 -2.303 -10.201 10.906 1.00 0.00 H new ATOM 0 HA SER A 41 -3.648 -11.870 12.918 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.516 -12.991 13.103 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.879 -12.827 11.396 1.00 0.00 H new ATOM 0 HG SER A 41 0.302 -12.214 11.893 1.00 0.00 H new ATOM 552 N GLY A 42 -1.911 -9.198 13.495 1.00 0.00 N ATOM 553 CA GLY A 42 -1.500 -8.272 14.534 1.00 0.00 C ATOM 554 C GLY A 42 -0.037 -7.891 14.425 1.00 0.00 C ATOM 555 O GLY A 42 0.591 -7.521 15.417 1.00 0.00 O ATOM 0 H GLY A 42 -1.823 -8.842 12.543 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.112 -7.372 14.477 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.684 -8.721 15.510 1.00 0.00 H new ATOM 559 N ARG A 43 0.509 -7.982 13.216 1.00 0.00 N ATOM 560 CA ARG A 43 1.908 -7.647 12.982 1.00 0.00 C ATOM 561 C ARG A 43 2.032 -6.494 11.990 1.00 0.00 C ATOM 562 O ARG A 43 1.610 -6.604 10.838 1.00 0.00 O ATOM 563 CB ARG A 43 2.666 -8.868 12.458 1.00 0.00 C ATOM 564 CG ARG A 43 4.168 -8.657 12.362 1.00 0.00 C ATOM 565 CD ARG A 43 4.798 -9.592 11.341 1.00 0.00 C ATOM 566 NE ARG A 43 6.257 -9.547 11.385 1.00 0.00 N ATOM 567 CZ ARG A 43 7.036 -10.529 10.945 1.00 0.00 C ATOM 568 NH1 ARG A 43 6.498 -11.627 10.432 1.00 0.00 N ATOM 569 NH2 ARG A 43 8.356 -10.414 11.019 1.00 0.00 N ATOM 0 H ARG A 43 0.003 -8.285 12.384 1.00 0.00 H new ATOM 0 HA ARG A 43 2.345 -7.336 13.931 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.468 -9.717 13.113 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.281 -9.129 11.472 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.374 -7.623 12.086 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.623 -8.823 13.338 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.461 -10.612 11.527 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.457 -9.321 10.342 1.00 0.00 H new ATOM 0 HE ARG A 43 6.702 -8.716 11.775 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.484 -11.719 10.374 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.098 -12.380 10.095 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.773 -9.571 11.414 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.953 -11.168 10.681 1.00 0.00 H new ATOM 583 N VAL A 44 2.613 -5.389 12.445 1.00 0.00 N ATOM 584 CA VAL A 44 2.793 -4.216 11.598 1.00 0.00 C ATOM 585 C VAL A 44 4.266 -3.838 11.488 1.00 0.00 C ATOM 586 O VAL A 44 5.029 -3.983 12.443 1.00 0.00 O ATOM 587 CB VAL A 44 2.004 -3.008 12.136 1.00 0.00 C ATOM 588 CG1 VAL A 44 2.358 -2.745 13.592 1.00 0.00 C ATOM 589 CG2 VAL A 44 2.269 -1.776 11.284 1.00 0.00 C ATOM 0 H VAL A 44 2.967 -5.281 13.395 1.00 0.00 H new ATOM 0 HA VAL A 44 2.413 -4.478 10.611 1.00 0.00 H new ATOM 0 HB VAL A 44 0.940 -3.238 12.081 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.791 -1.888 13.955 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.113 -3.622 14.190 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.425 -2.536 13.675 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.703 -0.932 11.679 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.333 -1.541 11.305 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.961 -1.971 10.257 1.00 0.00 H new ATOM 599 N THR A 45 4.661 -3.353 10.315 1.00 0.00 N ATOM 600 CA THR A 45 6.044 -2.955 10.078 1.00 0.00 C ATOM 601 C THR A 45 6.117 -1.567 9.453 1.00 0.00 C ATOM 602 O THR A 45 5.100 -1.007 9.044 1.00 0.00 O ATOM 603 CB THR A 45 6.768 -3.958 9.161 1.00 0.00 C ATOM 604 OG1 THR A 45 5.932 -4.298 8.049 1.00 0.00 O ATOM 605 CG2 THR A 45 7.141 -5.220 9.925 1.00 0.00 C ATOM 0 H THR A 45 4.043 -3.226 9.514 1.00 0.00 H new ATOM 0 HA THR A 45 6.539 -2.939 11.049 1.00 0.00 H new ATOM 0 HB THR A 45 7.682 -3.488 8.798 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.401 -4.935 7.470 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.651 -5.913 9.256 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.802 -4.962 10.753 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.238 -5.690 10.314 1.00 0.00 H new ATOM 613 N GLU A 46 7.325 -1.018 9.381 1.00 0.00 N ATOM 614 CA GLU A 46 7.530 0.305 8.805 1.00 0.00 C ATOM 615 C GLU A 46 7.765 0.213 7.300 1.00 0.00 C ATOM 616 O GLU A 46 8.591 -0.573 6.837 1.00 0.00 O ATOM 617 CB GLU A 46 8.716 1.001 9.476 1.00 0.00 C ATOM 618 CG GLU A 46 8.996 2.390 8.928 1.00 0.00 C ATOM 619 CD GLU A 46 10.288 2.978 9.463 1.00 0.00 C ATOM 620 OE1 GLU A 46 11.349 2.738 8.850 1.00 0.00 O ATOM 621 OE2 GLU A 46 10.236 3.679 10.495 1.00 0.00 O ATOM 0 H GLU A 46 8.177 -1.469 9.715 1.00 0.00 H new ATOM 0 HA GLU A 46 6.628 0.892 8.979 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.525 1.074 10.547 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.606 0.384 9.352 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.045 2.344 7.840 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.167 3.051 9.182 1.00 0.00 H new ATOM 628 N ALA A 47 7.032 1.022 6.541 1.00 0.00 N ATOM 629 CA ALA A 47 7.161 1.033 5.090 1.00 0.00 C ATOM 630 C ALA A 47 8.028 2.198 4.624 1.00 0.00 C ATOM 631 O ALA A 47 8.259 3.148 5.372 1.00 0.00 O ATOM 632 CB ALA A 47 5.788 1.101 4.438 1.00 0.00 C ATOM 0 H ALA A 47 6.343 1.678 6.908 1.00 0.00 H new ATOM 0 HA ALA A 47 7.650 0.107 4.787 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.900 1.109 3.354 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.200 0.233 4.736 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.279 2.011 4.756 1.00 0.00 H new ATOM 638 N GLU A 48 8.506 2.117 3.387 1.00 0.00 N ATOM 639 CA GLU A 48 9.350 3.165 2.824 1.00 0.00 C ATOM 640 C GLU A 48 8.569 4.013 1.825 1.00 0.00 C ATOM 641 O GLU A 48 7.691 3.512 1.121 1.00 0.00 O ATOM 642 CB GLU A 48 10.575 2.553 2.142 1.00 0.00 C ATOM 643 CG GLU A 48 11.584 3.584 1.665 1.00 0.00 C ATOM 644 CD GLU A 48 12.385 4.187 2.803 1.00 0.00 C ATOM 645 OE1 GLU A 48 11.783 4.880 3.650 1.00 0.00 O ATOM 646 OE2 GLU A 48 13.613 3.965 2.846 1.00 0.00 O ATOM 0 H GLU A 48 8.324 1.337 2.755 1.00 0.00 H new ATOM 0 HA GLU A 48 9.681 3.807 3.640 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.065 1.872 2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.247 1.957 1.290 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.265 3.118 0.953 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.062 4.379 1.132 1.00 0.00 H new ATOM 653 N ILE A 49 8.895 5.300 1.768 1.00 0.00 N ATOM 654 CA ILE A 49 8.225 6.218 0.856 1.00 0.00 C ATOM 655 C ILE A 49 9.171 6.689 -0.243 1.00 0.00 C ATOM 656 O ILE A 49 9.813 7.732 -0.120 1.00 0.00 O ATOM 657 CB ILE A 49 7.669 7.446 1.600 1.00 0.00 C ATOM 658 CG1 ILE A 49 6.722 7.007 2.719 1.00 0.00 C ATOM 659 CG2 ILE A 49 6.955 8.376 0.629 1.00 0.00 C ATOM 660 CD1 ILE A 49 6.563 8.036 3.815 1.00 0.00 C ATOM 0 H ILE A 49 9.619 5.730 2.343 1.00 0.00 H new ATOM 0 HA ILE A 49 7.396 5.669 0.409 1.00 0.00 H new ATOM 0 HB ILE A 49 8.502 7.989 2.047 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.743 6.790 2.291 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.093 6.079 3.154 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.568 9.239 1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.656 8.712 -0.135 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.130 7.844 0.156 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.878 7.657 4.573 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.533 8.236 4.270 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.163 8.958 3.393 1.00 0.00 H new ATOM 672 N VAL A 50 9.252 5.914 -1.320 1.00 0.00 N ATOM 673 CA VAL A 50 10.118 6.253 -2.443 1.00 0.00 C ATOM 674 C VAL A 50 9.663 7.541 -3.119 1.00 0.00 C ATOM 675 O VAL A 50 8.522 7.669 -3.563 1.00 0.00 O ATOM 676 CB VAL A 50 10.150 5.122 -3.488 1.00 0.00 C ATOM 677 CG1 VAL A 50 10.728 5.625 -4.802 1.00 0.00 C ATOM 678 CG2 VAL A 50 10.947 3.936 -2.965 1.00 0.00 C ATOM 0 H VAL A 50 8.728 5.047 -1.438 1.00 0.00 H new ATOM 0 HA VAL A 50 11.120 6.393 -2.038 1.00 0.00 H new ATOM 0 HB VAL A 50 9.128 4.791 -3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.743 4.812 -5.528 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.112 6.440 -5.182 1.00 0.00 H new ATOM 0 HG13 VAL A 50 11.744 5.984 -4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.959 3.146 -3.716 1.00 0.00 H new ATOM 0 HG22 VAL A 50 11.969 4.250 -2.752 1.00 0.00 H new ATOM 0 HG23 VAL A 50 10.485 3.561 -2.052 1.00 0.00 H new ATOM 688 N PRO A 51 10.575 8.521 -3.199 1.00 0.00 N ATOM 689 CA PRO A 51 10.291 9.818 -3.821 1.00 0.00 C ATOM 690 C PRO A 51 10.127 9.713 -5.333 1.00 0.00 C ATOM 691 O PRO A 51 11.106 9.751 -6.077 1.00 0.00 O ATOM 692 CB PRO A 51 11.524 10.656 -3.474 1.00 0.00 C ATOM 693 CG PRO A 51 12.613 9.660 -3.270 1.00 0.00 C ATOM 694 CD PRO A 51 11.955 8.438 -2.690 1.00 0.00 C ATOM 0 HA PRO A 51 9.354 10.245 -3.463 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.769 11.352 -4.277 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.358 11.251 -2.576 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.109 9.426 -4.212 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.376 10.049 -2.596 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.449 7.523 -3.015 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.983 8.445 -1.600 1.00 0.00 H new ATOM 702 N MET A 52 8.882 9.581 -5.781 1.00 0.00 N ATOM 703 CA MET A 52 8.591 9.472 -7.205 1.00 0.00 C ATOM 704 C MET A 52 9.048 10.722 -7.951 1.00 0.00 C ATOM 705 O MET A 52 9.862 10.645 -8.871 1.00 0.00 O ATOM 706 CB MET A 52 7.093 9.252 -7.426 1.00 0.00 C ATOM 707 CG MET A 52 6.542 8.043 -6.688 1.00 0.00 C ATOM 708 SD MET A 52 5.031 7.402 -7.436 1.00 0.00 S ATOM 709 CE MET A 52 5.706 6.244 -8.623 1.00 0.00 C ATOM 0 H MET A 52 8.060 9.547 -5.178 1.00 0.00 H new ATOM 0 HA MET A 52 9.139 8.615 -7.597 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.552 10.142 -7.104 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.905 9.133 -8.493 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.297 7.257 -6.672 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.343 8.315 -5.651 1.00 0.00 H new ATOM 0 HE1 MET A 52 4.892 5.765 -9.167 1.00 0.00 H new ATOM 0 HE2 MET A 52 6.348 6.776 -9.325 1.00 0.00 H new ATOM 0 HE3 MET A 52 6.289 5.486 -8.100 1.00 0.00 H new ATOM 719 N GLY A 53 8.519 11.873 -7.548 1.00 0.00 N ATOM 720 CA GLY A 53 8.885 13.123 -8.189 1.00 0.00 C ATOM 721 C GLY A 53 8.408 14.334 -7.413 1.00 0.00 C ATOM 722 O GLY A 53 8.855 14.579 -6.292 1.00 0.00 O ATOM 0 H GLY A 53 7.843 11.962 -6.789 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.969 13.168 -8.297 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.463 13.150 -9.194 1.00 0.00 H new ATOM 726 N LYS A 54 7.498 15.097 -8.010 1.00 0.00 N ATOM 727 CA LYS A 54 6.959 16.290 -7.368 1.00 0.00 C ATOM 728 C LYS A 54 5.808 15.933 -6.433 1.00 0.00 C ATOM 729 O LYS A 54 4.810 15.352 -6.857 1.00 0.00 O ATOM 730 CB LYS A 54 6.481 17.290 -8.424 1.00 0.00 C ATOM 731 CG LYS A 54 7.609 18.067 -9.080 1.00 0.00 C ATOM 732 CD LYS A 54 7.902 19.360 -8.337 1.00 0.00 C ATOM 733 CE LYS A 54 8.821 19.123 -7.148 1.00 0.00 C ATOM 734 NZ LYS A 54 8.055 18.838 -5.903 1.00 0.00 N ATOM 0 H LYS A 54 7.118 14.910 -8.938 1.00 0.00 H new ATOM 0 HA LYS A 54 7.754 16.745 -6.778 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.924 16.755 -9.193 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.789 17.993 -7.960 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.508 17.451 -9.108 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.344 18.292 -10.113 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.363 20.076 -9.018 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.967 19.803 -7.993 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.486 18.287 -7.364 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.450 20.000 -6.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.145 19.641 -5.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.052 18.693 -6.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.432 17.980 -5.452 1.00 0.00 H new ATOM 748 N ASN A 55 5.955 16.286 -5.160 1.00 0.00 N ATOM 749 CA ASN A 55 4.927 16.003 -4.165 1.00 0.00 C ATOM 750 C ASN A 55 4.256 14.661 -4.443 1.00 0.00 C ATOM 751 O ASN A 55 3.033 14.578 -4.555 1.00 0.00 O ATOM 752 CB ASN A 55 3.878 17.117 -4.155 1.00 0.00 C ATOM 753 CG ASN A 55 3.584 17.648 -5.545 1.00 0.00 C ATOM 754 OD1 ASN A 55 2.707 17.138 -6.243 1.00 0.00 O ATOM 755 ND2 ASN A 55 4.318 18.676 -5.952 1.00 0.00 N ATOM 0 H ASN A 55 6.776 16.768 -4.793 1.00 0.00 H new ATOM 0 HA ASN A 55 5.406 15.954 -3.187 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.957 16.741 -3.711 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.226 17.934 -3.523 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.166 19.076 -6.878 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.034 19.066 -5.339 1.00 0.00 H new ATOM 762 N SER A 56 5.066 13.612 -4.551 1.00 0.00 N ATOM 763 CA SER A 56 4.552 12.274 -4.818 1.00 0.00 C ATOM 764 C SER A 56 5.141 11.261 -3.842 1.00 0.00 C ATOM 765 O SER A 56 6.271 11.414 -3.377 1.00 0.00 O ATOM 766 CB SER A 56 4.872 11.859 -6.256 1.00 0.00 C ATOM 767 OG SER A 56 4.095 12.597 -7.184 1.00 0.00 O ATOM 0 H SER A 56 6.080 13.663 -4.458 1.00 0.00 H new ATOM 0 HA SER A 56 3.470 12.294 -4.685 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.932 12.018 -6.457 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.680 10.793 -6.382 1.00 0.00 H new ATOM 0 HG SER A 56 4.308 13.550 -7.104 1.00 0.00 H new ATOM 773 N HIS A 57 4.367 10.225 -3.534 1.00 0.00 N ATOM 774 CA HIS A 57 4.811 9.185 -2.613 1.00 0.00 C ATOM 775 C HIS A 57 4.585 7.799 -3.209 1.00 0.00 C ATOM 776 O HIS A 57 3.579 7.556 -3.876 1.00 0.00 O ATOM 777 CB HIS A 57 4.074 9.306 -1.279 1.00 0.00 C ATOM 778 CG HIS A 57 3.749 10.718 -0.900 1.00 0.00 C ATOM 779 ND1 HIS A 57 4.686 11.597 -0.398 1.00 0.00 N ATOM 780 CD2 HIS A 57 2.584 11.404 -0.954 1.00 0.00 C ATOM 781 CE1 HIS A 57 4.111 12.761 -0.158 1.00 0.00 C ATOM 782 NE2 HIS A 57 2.834 12.671 -0.487 1.00 0.00 N ATOM 0 H HIS A 57 3.429 10.083 -3.909 1.00 0.00 H new ATOM 0 HA HIS A 57 5.879 9.318 -2.442 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.150 8.730 -1.330 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.684 8.859 -0.494 1.00 0.00 H new ATOM 0 HD1 HIS A 57 5.670 11.381 -0.237 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.634 11.025 -1.300 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.601 13.638 0.240 1.00 0.00 H new ATOM 791 N CYS A 58 5.527 6.894 -2.964 1.00 0.00 N ATOM 792 CA CYS A 58 5.431 5.533 -3.478 1.00 0.00 C ATOM 793 C CYS A 58 5.706 4.515 -2.376 1.00 0.00 C ATOM 794 O CYS A 58 6.852 4.316 -1.971 1.00 0.00 O ATOM 795 CB CYS A 58 6.415 5.330 -4.632 1.00 0.00 C ATOM 796 SG CYS A 58 6.838 3.601 -4.947 1.00 0.00 S ATOM 0 H CYS A 58 6.365 7.079 -2.413 1.00 0.00 H new ATOM 0 HA CYS A 58 4.416 5.381 -3.844 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.988 5.759 -5.539 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.329 5.883 -4.417 1.00 0.00 H new ATOM 0 HG CYS A 58 7.673 3.533 -5.941 1.00 0.00 H new ATOM 802 N VAL A 59 4.647 3.874 -1.892 1.00 0.00 N ATOM 803 CA VAL A 59 4.773 2.877 -0.836 1.00 0.00 C ATOM 804 C VAL A 59 5.131 1.511 -1.410 1.00 0.00 C ATOM 805 O VAL A 59 4.303 0.856 -2.044 1.00 0.00 O ATOM 806 CB VAL A 59 3.472 2.754 -0.021 1.00 0.00 C ATOM 807 CG1 VAL A 59 3.516 1.525 0.874 1.00 0.00 C ATOM 808 CG2 VAL A 59 3.237 4.014 0.800 1.00 0.00 C ATOM 0 H VAL A 59 3.692 4.028 -2.215 1.00 0.00 H new ATOM 0 HA VAL A 59 5.574 3.213 -0.178 1.00 0.00 H new ATOM 0 HB VAL A 59 2.639 2.639 -0.714 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.588 1.455 1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.634 0.632 0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.357 1.606 1.562 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.314 3.910 1.370 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.071 4.163 1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.157 4.873 0.134 1.00 0.00 H new ATOM 818 N ARG A 60 6.370 1.085 -1.182 1.00 0.00 N ATOM 819 CA ARG A 60 6.838 -0.203 -1.677 1.00 0.00 C ATOM 820 C ARG A 60 6.948 -1.215 -0.540 1.00 0.00 C ATOM 821 O ARG A 60 7.669 -0.995 0.433 1.00 0.00 O ATOM 822 CB ARG A 60 8.194 -0.046 -2.367 1.00 0.00 C ATOM 823 CG ARG A 60 9.038 -1.310 -2.345 1.00 0.00 C ATOM 824 CD ARG A 60 10.250 -1.186 -3.256 1.00 0.00 C ATOM 825 NE ARG A 60 11.314 -2.114 -2.880 1.00 0.00 N ATOM 826 CZ ARG A 60 12.248 -2.541 -3.723 1.00 0.00 C ATOM 827 NH1 ARG A 60 12.249 -2.127 -4.982 1.00 0.00 N ATOM 828 NH2 ARG A 60 13.183 -3.385 -3.306 1.00 0.00 N ATOM 0 H ARG A 60 7.067 1.614 -0.658 1.00 0.00 H new ATOM 0 HA ARG A 60 6.111 -0.572 -2.400 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.033 0.255 -3.402 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.747 0.759 -1.883 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.367 -1.512 -1.326 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.431 -2.160 -2.658 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.950 -1.376 -4.286 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.629 -0.165 -3.218 1.00 0.00 H new ATOM 0 HE ARG A 60 11.341 -2.452 -1.918 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.531 -1.479 -5.306 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.967 -2.457 -5.627 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.185 -3.706 -2.338 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.900 -3.713 -3.954 1.00 0.00 H new ATOM 842 N PHE A 61 6.228 -2.324 -0.670 1.00 0.00 N ATOM 843 CA PHE A 61 6.243 -3.370 0.347 1.00 0.00 C ATOM 844 C PHE A 61 5.825 -4.712 -0.247 1.00 0.00 C ATOM 845 O PHE A 61 5.155 -4.766 -1.278 1.00 0.00 O ATOM 846 CB PHE A 61 5.313 -2.999 1.504 1.00 0.00 C ATOM 847 CG PHE A 61 3.863 -2.953 1.116 1.00 0.00 C ATOM 848 CD1 PHE A 61 3.191 -4.111 0.759 1.00 0.00 C ATOM 849 CD2 PHE A 61 3.171 -1.753 1.108 1.00 0.00 C ATOM 850 CE1 PHE A 61 1.856 -4.073 0.402 1.00 0.00 C ATOM 851 CE2 PHE A 61 1.836 -1.708 0.753 1.00 0.00 C ATOM 852 CZ PHE A 61 1.178 -2.870 0.398 1.00 0.00 C ATOM 0 H PHE A 61 5.627 -2.522 -1.470 1.00 0.00 H new ATOM 0 HA PHE A 61 7.262 -3.461 0.724 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.443 -3.721 2.310 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.607 -2.026 1.898 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.716 -5.055 0.760 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.681 -0.841 1.383 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.344 -4.983 0.127 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.308 -0.766 0.753 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.135 -2.837 0.118 1.00 0.00 H new ATOM 862 N VAL A 62 6.225 -5.794 0.413 1.00 0.00 N ATOM 863 CA VAL A 62 5.892 -7.137 -0.048 1.00 0.00 C ATOM 864 C VAL A 62 4.825 -7.772 0.836 1.00 0.00 C ATOM 865 O VAL A 62 5.094 -8.223 1.950 1.00 0.00 O ATOM 866 CB VAL A 62 7.135 -8.047 -0.069 1.00 0.00 C ATOM 867 CG1 VAL A 62 6.772 -9.434 -0.579 1.00 0.00 C ATOM 868 CG2 VAL A 62 8.234 -7.428 -0.919 1.00 0.00 C ATOM 0 H VAL A 62 6.780 -5.767 1.268 1.00 0.00 H new ATOM 0 HA VAL A 62 5.507 -7.038 -1.063 1.00 0.00 H new ATOM 0 HB VAL A 62 7.509 -8.147 0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.662 -10.063 -0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.020 -9.877 0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.373 -9.357 -1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 62 9.104 -8.084 -0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.874 -7.297 -1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.512 -6.459 -0.505 1.00 0.00 H new ATOM 878 N PRO A 63 3.584 -7.811 0.330 1.00 0.00 N ATOM 879 CA PRO A 63 2.451 -8.391 1.057 1.00 0.00 C ATOM 880 C PRO A 63 2.554 -9.907 1.179 1.00 0.00 C ATOM 881 O PRO A 63 3.433 -10.528 0.581 1.00 0.00 O ATOM 882 CB PRO A 63 1.243 -8.004 0.199 1.00 0.00 C ATOM 883 CG PRO A 63 1.796 -7.825 -1.173 1.00 0.00 C ATOM 884 CD PRO A 63 3.191 -7.293 -0.991 1.00 0.00 C ATOM 0 HA PRO A 63 2.397 -8.027 2.083 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.478 -8.780 0.219 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.777 -7.087 0.561 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.807 -8.770 -1.716 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.186 -7.131 -1.752 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.861 -7.644 -1.776 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.212 -6.204 -1.018 1.00 0.00 H new ATOM 892 N GLN A 64 1.651 -10.497 1.956 1.00 0.00 N ATOM 893 CA GLN A 64 1.642 -11.941 2.155 1.00 0.00 C ATOM 894 C GLN A 64 0.464 -12.584 1.431 1.00 0.00 C ATOM 895 O GLN A 64 -0.398 -11.890 0.893 1.00 0.00 O ATOM 896 CB GLN A 64 1.581 -12.271 3.648 1.00 0.00 C ATOM 897 CG GLN A 64 2.920 -12.138 4.356 1.00 0.00 C ATOM 898 CD GLN A 64 4.029 -12.895 3.653 1.00 0.00 C ATOM 899 OE1 GLN A 64 4.313 -14.049 3.979 1.00 0.00 O ATOM 900 NE2 GLN A 64 4.665 -12.249 2.682 1.00 0.00 N ATOM 0 H GLN A 64 0.917 -9.997 2.458 1.00 0.00 H new ATOM 0 HA GLN A 64 2.564 -12.345 1.738 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.858 -11.611 4.128 1.00 0.00 H new ATOM 0 HB3 GLN A 64 1.214 -13.290 3.772 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.189 -11.084 4.421 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.825 -12.506 5.378 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.397 -11.294 2.444 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.421 -12.708 2.174 1.00 0.00 H new ATOM 909 N GLU A 65 0.433 -13.913 1.423 1.00 0.00 N ATOM 910 CA GLU A 65 -0.640 -14.648 0.764 1.00 0.00 C ATOM 911 C GLU A 65 -1.870 -14.737 1.662 1.00 0.00 C ATOM 912 O GLU A 65 -1.757 -14.738 2.888 1.00 0.00 O ATOM 913 CB GLU A 65 -0.168 -16.053 0.385 1.00 0.00 C ATOM 914 CG GLU A 65 1.259 -16.096 -0.136 1.00 0.00 C ATOM 915 CD GLU A 65 1.937 -17.427 0.129 1.00 0.00 C ATOM 916 OE1 GLU A 65 2.115 -17.776 1.314 1.00 0.00 O ATOM 917 OE2 GLU A 65 2.288 -18.118 -0.850 1.00 0.00 O ATOM 0 H GLU A 65 1.138 -14.502 1.865 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.912 -14.108 -0.143 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.247 -16.701 1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.836 -16.459 -0.375 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.256 -15.901 -1.208 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.837 -15.299 0.332 1.00 0.00 H new ATOM 924 N MET A 66 -3.043 -14.811 1.043 1.00 0.00 N ATOM 925 CA MET A 66 -4.295 -14.901 1.787 1.00 0.00 C ATOM 926 C MET A 66 -4.222 -14.088 3.075 1.00 0.00 C ATOM 927 O MET A 66 -4.490 -14.601 4.160 1.00 0.00 O ATOM 928 CB MET A 66 -4.617 -16.362 2.110 1.00 0.00 C ATOM 929 CG MET A 66 -4.797 -17.231 0.876 1.00 0.00 C ATOM 930 SD MET A 66 -3.235 -17.607 0.057 1.00 0.00 S ATOM 931 CE MET A 66 -3.414 -16.671 -1.459 1.00 0.00 C ATOM 0 H MET A 66 -3.154 -14.810 0.029 1.00 0.00 H new ATOM 0 HA MET A 66 -5.089 -14.490 1.164 1.00 0.00 H new ATOM 0 HB2 MET A 66 -3.815 -16.776 2.722 1.00 0.00 H new ATOM 0 HB3 MET A 66 -5.527 -16.401 2.708 1.00 0.00 H new ATOM 0 HG2 MET A 66 -5.287 -18.162 1.161 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.459 -16.725 0.173 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.327 -17.342 -2.313 1.00 0.00 H new ATOM 0 HE2 MET A 66 -4.391 -16.188 -1.475 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.633 -15.912 -1.513 1.00 0.00 H new ATOM 941 N GLY A 67 -3.856 -12.816 2.947 1.00 0.00 N ATOM 942 CA GLY A 67 -3.754 -11.953 4.109 1.00 0.00 C ATOM 943 C GLY A 67 -4.125 -10.516 3.799 1.00 0.00 C ATOM 944 O GLY A 67 -3.497 -9.873 2.958 1.00 0.00 O ATOM 0 H GLY A 67 -3.628 -12.368 2.059 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.405 -12.331 4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.735 -11.987 4.494 1.00 0.00 H new ATOM 948 N VAL A 68 -5.150 -10.012 4.478 1.00 0.00 N ATOM 949 CA VAL A 68 -5.605 -8.642 4.270 1.00 0.00 C ATOM 950 C VAL A 68 -4.798 -7.661 5.112 1.00 0.00 C ATOM 951 O VAL A 68 -4.955 -7.597 6.332 1.00 0.00 O ATOM 952 CB VAL A 68 -7.099 -8.489 4.614 1.00 0.00 C ATOM 953 CG1 VAL A 68 -7.543 -7.045 4.434 1.00 0.00 C ATOM 954 CG2 VAL A 68 -7.941 -9.425 3.760 1.00 0.00 C ATOM 0 H VAL A 68 -5.681 -10.531 5.177 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.458 -8.416 3.214 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.243 -8.761 5.660 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.601 -6.956 4.681 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.961 -6.401 5.093 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.386 -6.742 3.399 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.993 -9.304 4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.794 -9.187 2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.639 -10.456 3.944 1.00 0.00 H new ATOM 964 N HIS A 69 -3.933 -6.897 4.453 1.00 0.00 N ATOM 965 CA HIS A 69 -3.100 -5.917 5.141 1.00 0.00 C ATOM 966 C HIS A 69 -3.732 -4.529 5.081 1.00 0.00 C ATOM 967 O HIS A 69 -4.510 -4.228 4.175 1.00 0.00 O ATOM 968 CB HIS A 69 -1.702 -5.881 4.524 1.00 0.00 C ATOM 969 CG HIS A 69 -1.082 -7.235 4.367 1.00 0.00 C ATOM 970 ND1 HIS A 69 -1.601 -8.209 3.540 1.00 0.00 N ATOM 971 CD2 HIS A 69 0.022 -7.775 4.935 1.00 0.00 C ATOM 972 CE1 HIS A 69 -0.844 -9.290 3.608 1.00 0.00 C ATOM 973 NE2 HIS A 69 0.148 -9.052 4.447 1.00 0.00 N ATOM 0 H HIS A 69 -3.791 -6.937 3.444 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.019 -6.215 6.186 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -1.757 -5.400 3.547 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.055 -5.264 5.147 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -2.438 -8.110 2.966 1.00 0.00 H new ATOM 0 HD2 HIS A 69 0.681 -7.291 5.641 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -1.008 -10.211 3.069 1.00 0.00 H new ATOM 982 N THR A 70 -3.393 -3.687 6.052 1.00 0.00 N ATOM 983 CA THR A 70 -3.928 -2.332 6.110 1.00 0.00 C ATOM 984 C THR A 70 -2.809 -1.297 6.074 1.00 0.00 C ATOM 985 O THR A 70 -1.886 -1.338 6.888 1.00 0.00 O ATOM 986 CB THR A 70 -4.772 -2.115 7.379 1.00 0.00 C ATOM 987 OG1 THR A 70 -5.677 -3.211 7.559 1.00 0.00 O ATOM 988 CG2 THR A 70 -5.554 -0.814 7.293 1.00 0.00 C ATOM 0 H THR A 70 -2.750 -3.919 6.809 1.00 0.00 H new ATOM 0 HA THR A 70 -4.564 -2.206 5.234 1.00 0.00 H new ATOM 0 HB THR A 70 -4.096 -2.058 8.233 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.209 -3.066 8.369 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.143 -0.683 8.201 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.861 0.021 7.186 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.220 -0.846 6.430 1.00 0.00 H new ATOM 996 N VAL A 71 -2.897 -0.369 5.127 1.00 0.00 N ATOM 997 CA VAL A 71 -1.893 0.679 4.987 1.00 0.00 C ATOM 998 C VAL A 71 -2.244 1.894 5.838 1.00 0.00 C ATOM 999 O VAL A 71 -3.128 2.675 5.488 1.00 0.00 O ATOM 1000 CB VAL A 71 -1.743 1.120 3.519 1.00 0.00 C ATOM 1001 CG1 VAL A 71 -0.681 2.201 3.392 1.00 0.00 C ATOM 1002 CG2 VAL A 71 -1.409 -0.073 2.636 1.00 0.00 C ATOM 0 H VAL A 71 -3.654 -0.321 4.445 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.948 0.259 5.331 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.693 1.536 3.184 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.589 2.500 2.348 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.967 3.064 3.993 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.275 1.815 3.744 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.307 0.257 1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.473 -0.521 2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.208 -0.811 2.704 1.00 0.00 H new ATOM 1012 N SER A 72 -1.544 2.047 6.957 1.00 0.00 N ATOM 1013 CA SER A 72 -1.783 3.166 7.861 1.00 0.00 C ATOM 1014 C SER A 72 -0.902 4.357 7.497 1.00 0.00 C ATOM 1015 O SER A 72 0.325 4.260 7.500 1.00 0.00 O ATOM 1016 CB SER A 72 -1.519 2.746 9.308 1.00 0.00 C ATOM 1017 OG SER A 72 -1.995 3.723 10.218 1.00 0.00 O ATOM 0 H SER A 72 -0.807 1.410 7.260 1.00 0.00 H new ATOM 0 HA SER A 72 -2.827 3.464 7.761 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.006 1.791 9.507 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.450 2.596 9.457 1.00 0.00 H new ATOM 0 HG SER A 72 -1.816 3.430 11.136 1.00 0.00 H new ATOM 1023 N VAL A 73 -1.538 5.482 7.183 1.00 0.00 N ATOM 1024 CA VAL A 73 -0.814 6.693 6.817 1.00 0.00 C ATOM 1025 C VAL A 73 -1.246 7.873 7.679 1.00 0.00 C ATOM 1026 O VAL A 73 -2.274 8.501 7.423 1.00 0.00 O ATOM 1027 CB VAL A 73 -1.028 7.049 5.334 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -0.293 8.333 4.981 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -0.577 5.903 4.440 1.00 0.00 C ATOM 0 H VAL A 73 -2.553 5.579 7.175 1.00 0.00 H new ATOM 0 HA VAL A 73 0.244 6.492 6.985 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.093 7.211 5.168 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.456 8.568 3.929 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.669 9.149 5.598 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.774 8.203 5.163 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.736 6.172 3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.482 5.706 4.607 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.154 5.009 4.676 1.00 0.00 H new ATOM 1039 N LYS A 74 -0.453 8.172 8.703 1.00 0.00 N ATOM 1040 CA LYS A 74 -0.751 9.279 9.604 1.00 0.00 C ATOM 1041 C LYS A 74 0.143 10.478 9.307 1.00 0.00 C ATOM 1042 O LYS A 74 1.286 10.321 8.876 1.00 0.00 O ATOM 1043 CB LYS A 74 -0.570 8.842 11.060 1.00 0.00 C ATOM 1044 CG LYS A 74 -1.823 8.246 11.677 1.00 0.00 C ATOM 1045 CD LYS A 74 -1.872 8.481 13.177 1.00 0.00 C ATOM 1046 CE LYS A 74 -3.181 7.990 13.776 1.00 0.00 C ATOM 1047 NZ LYS A 74 -3.097 6.567 14.204 1.00 0.00 N ATOM 0 H LYS A 74 0.401 7.663 8.929 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.788 9.574 9.446 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.235 8.109 11.113 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.257 9.702 11.652 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.704 8.686 11.210 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.856 7.176 11.474 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.037 7.968 13.654 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.752 9.545 13.384 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.444 8.611 14.632 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.980 8.102 13.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.691 5.982 13.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.110 6.244 14.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.431 6.479 15.185 1.00 0.00 H new ATOM 1061 N TYR A 75 -0.383 11.675 9.542 1.00 0.00 N ATOM 1062 CA TYR A 75 0.368 12.901 9.299 1.00 0.00 C ATOM 1063 C TYR A 75 0.148 13.907 10.425 1.00 0.00 C ATOM 1064 O TYR A 75 -0.953 14.430 10.599 1.00 0.00 O ATOM 1065 CB TYR A 75 -0.043 13.518 7.961 1.00 0.00 C ATOM 1066 CG TYR A 75 0.479 14.923 7.756 1.00 0.00 C ATOM 1067 CD1 TYR A 75 1.842 15.192 7.801 1.00 0.00 C ATOM 1068 CD2 TYR A 75 -0.390 15.980 7.520 1.00 0.00 C ATOM 1069 CE1 TYR A 75 2.323 16.473 7.615 1.00 0.00 C ATOM 1070 CE2 TYR A 75 0.083 17.265 7.332 1.00 0.00 C ATOM 1071 CZ TYR A 75 1.440 17.506 7.381 1.00 0.00 C ATOM 1072 OH TYR A 75 1.915 18.784 7.195 1.00 0.00 O ATOM 0 H TYR A 75 -1.326 11.822 9.900 1.00 0.00 H new ATOM 0 HA TYR A 75 1.428 12.648 9.265 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.318 12.884 7.152 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.131 13.530 7.895 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.537 14.386 7.985 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.453 15.795 7.483 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.385 16.665 7.653 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -0.606 18.076 7.148 1.00 0.00 H new ATOM 0 HH TYR A 75 1.163 19.393 7.041 1.00 0.00 H new ATOM 1082 N ARG A 76 1.204 14.173 11.186 1.00 0.00 N ATOM 1083 CA ARG A 76 1.128 15.116 12.296 1.00 0.00 C ATOM 1084 C ARG A 76 0.120 14.646 13.340 1.00 0.00 C ATOM 1085 O ARG A 76 -0.437 15.450 14.086 1.00 0.00 O ATOM 1086 CB ARG A 76 0.741 16.505 11.787 1.00 0.00 C ATOM 1087 CG ARG A 76 1.933 17.370 11.409 1.00 0.00 C ATOM 1088 CD ARG A 76 1.509 18.793 11.085 1.00 0.00 C ATOM 1089 NE ARG A 76 2.608 19.742 11.244 1.00 0.00 N ATOM 1090 CZ ARG A 76 3.606 19.862 10.376 1.00 0.00 C ATOM 1091 NH1 ARG A 76 3.643 19.098 9.293 1.00 0.00 N ATOM 1092 NH2 ARG A 76 4.570 20.749 10.591 1.00 0.00 N ATOM 0 H ARG A 76 2.122 13.749 11.055 1.00 0.00 H new ATOM 0 HA ARG A 76 2.111 15.169 12.763 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.092 16.396 10.918 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.162 17.016 12.556 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.650 17.381 12.230 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.440 16.936 10.548 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.138 18.836 10.061 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.684 19.082 11.735 1.00 0.00 H new ATOM 0 HE ARG A 76 2.609 20.345 12.066 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.904 18.416 9.125 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.411 19.193 8.628 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.544 21.339 11.423 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.336 20.841 9.924 1.00 0.00 H new ATOM 1106 N GLY A 77 -0.110 13.337 13.387 1.00 0.00 N ATOM 1107 CA GLY A 77 -1.051 12.782 14.342 1.00 0.00 C ATOM 1108 C GLY A 77 -2.484 12.849 13.850 1.00 0.00 C ATOM 1109 O GLY A 77 -3.398 13.138 14.621 1.00 0.00 O ATOM 0 H GLY A 77 0.339 12.651 12.780 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.788 11.744 14.545 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.968 13.322 15.285 1.00 0.00 H new ATOM 1113 N GLN A 78 -2.678 12.582 12.563 1.00 0.00 N ATOM 1114 CA GLN A 78 -4.010 12.615 11.969 1.00 0.00 C ATOM 1115 C GLN A 78 -4.059 11.778 10.695 1.00 0.00 C ATOM 1116 O GLN A 78 -3.177 11.876 9.841 1.00 0.00 O ATOM 1117 CB GLN A 78 -4.418 14.057 11.662 1.00 0.00 C ATOM 1118 CG GLN A 78 -4.118 14.484 10.234 1.00 0.00 C ATOM 1119 CD GLN A 78 -4.473 15.934 9.972 1.00 0.00 C ATOM 1120 OE1 GLN A 78 -5.136 16.580 10.784 1.00 0.00 O ATOM 1121 NE2 GLN A 78 -4.032 16.455 8.833 1.00 0.00 N ATOM 0 H GLN A 78 -1.931 12.341 11.912 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.712 12.191 12.687 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -5.486 14.171 11.850 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.900 14.726 12.349 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.059 14.330 10.028 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.673 13.848 9.544 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.486 15.884 8.189 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.240 17.427 8.603 1.00 0.00 H new ATOM 1130 N HIS A 79 -5.096 10.955 10.573 1.00 0.00 N ATOM 1131 CA HIS A 79 -5.260 10.101 9.402 1.00 0.00 C ATOM 1132 C HIS A 79 -5.663 10.923 8.182 1.00 0.00 C ATOM 1133 O HIS A 79 -6.592 11.728 8.243 1.00 0.00 O ATOM 1134 CB HIS A 79 -6.309 9.023 9.675 1.00 0.00 C ATOM 1135 CG HIS A 79 -5.755 7.803 10.344 1.00 0.00 C ATOM 1136 ND1 HIS A 79 -4.933 6.900 9.703 1.00 0.00 N ATOM 1137 CD2 HIS A 79 -5.908 7.340 11.607 1.00 0.00 C ATOM 1138 CE1 HIS A 79 -4.606 5.934 10.541 1.00 0.00 C ATOM 1139 NE2 HIS A 79 -5.184 6.177 11.704 1.00 0.00 N ATOM 0 H HIS A 79 -5.835 10.862 11.270 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.303 9.622 9.195 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -7.096 9.444 10.300 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.772 8.732 8.732 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -4.626 6.968 8.733 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.491 7.799 12.392 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.973 5.089 10.314 1.00 0.00 H new ATOM 1148 N VAL A 80 -4.958 10.715 7.075 1.00 0.00 N ATOM 1149 CA VAL A 80 -5.242 11.436 5.840 1.00 0.00 C ATOM 1150 C VAL A 80 -6.608 11.054 5.282 1.00 0.00 C ATOM 1151 O VAL A 80 -7.255 10.127 5.772 1.00 0.00 O ATOM 1152 CB VAL A 80 -4.168 11.163 4.770 1.00 0.00 C ATOM 1153 CG1 VAL A 80 -2.798 11.600 5.265 1.00 0.00 C ATOM 1154 CG2 VAL A 80 -4.161 9.690 4.387 1.00 0.00 C ATOM 0 H VAL A 80 -4.185 10.053 7.008 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.237 12.498 6.086 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.409 11.745 3.881 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.052 11.399 4.496 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.814 12.667 5.485 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.544 11.047 6.169 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.397 9.514 3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.945 9.086 5.268 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.137 9.413 3.988 1.00 0.00 H new ATOM 1164 N THR A 81 -7.044 11.774 4.253 1.00 0.00 N ATOM 1165 CA THR A 81 -8.334 11.511 3.628 1.00 0.00 C ATOM 1166 C THR A 81 -8.348 10.146 2.948 1.00 0.00 C ATOM 1167 O THR A 81 -7.698 9.947 1.923 1.00 0.00 O ATOM 1168 CB THR A 81 -8.687 12.593 2.590 1.00 0.00 C ATOM 1169 OG1 THR A 81 -8.601 13.891 3.188 1.00 0.00 O ATOM 1170 CG2 THR A 81 -10.087 12.376 2.036 1.00 0.00 C ATOM 0 H THR A 81 -6.522 12.544 3.835 1.00 0.00 H new ATOM 0 HA THR A 81 -9.079 11.525 4.424 1.00 0.00 H new ATOM 0 HB THR A 81 -7.974 12.523 1.768 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.825 14.574 2.522 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.313 13.152 1.305 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.141 11.399 1.556 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.811 12.421 2.849 1.00 0.00 H new ATOM 1178 N GLY A 82 -9.094 9.210 3.525 1.00 0.00 N ATOM 1179 CA GLY A 82 -9.179 7.876 2.960 1.00 0.00 C ATOM 1180 C GLY A 82 -8.504 6.833 3.830 1.00 0.00 C ATOM 1181 O GLY A 82 -9.062 5.763 4.073 1.00 0.00 O ATOM 0 H GLY A 82 -9.641 9.351 4.374 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.227 7.608 2.824 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.719 7.873 1.972 1.00 0.00 H new ATOM 1185 N SER A 83 -7.300 7.145 4.299 1.00 0.00 N ATOM 1186 CA SER A 83 -6.546 6.225 5.142 1.00 0.00 C ATOM 1187 C SER A 83 -7.259 5.999 6.472 1.00 0.00 C ATOM 1188 O SER A 83 -7.996 6.854 6.964 1.00 0.00 O ATOM 1189 CB SER A 83 -5.137 6.766 5.391 1.00 0.00 C ATOM 1190 OG SER A 83 -5.135 7.720 6.440 1.00 0.00 O ATOM 0 H SER A 83 -6.826 8.028 4.109 1.00 0.00 H new ATOM 0 HA SER A 83 -6.474 5.270 4.621 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.467 5.943 5.642 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.753 7.223 4.479 1.00 0.00 H new ATOM 0 HG SER A 83 -5.770 8.437 6.232 1.00 0.00 H new ATOM 1196 N PRO A 84 -7.035 4.820 7.069 1.00 0.00 N ATOM 1197 CA PRO A 84 -6.160 3.794 6.494 1.00 0.00 C ATOM 1198 C PRO A 84 -6.757 3.158 5.243 1.00 0.00 C ATOM 1199 O PRO A 84 -7.954 3.281 4.983 1.00 0.00 O ATOM 1200 CB PRO A 84 -6.041 2.759 7.615 1.00 0.00 C ATOM 1201 CG PRO A 84 -7.280 2.932 8.424 1.00 0.00 C ATOM 1202 CD PRO A 84 -7.619 4.396 8.353 1.00 0.00 C ATOM 0 HA PRO A 84 -5.203 4.207 6.174 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.968 1.748 7.214 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.148 2.928 8.217 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.093 2.323 8.028 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.120 2.618 9.455 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.696 4.561 8.378 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.192 4.948 9.190 1.00 0.00 H new ATOM 1210 N PHE A 85 -5.916 2.478 4.471 1.00 0.00 N ATOM 1211 CA PHE A 85 -6.361 1.823 3.247 1.00 0.00 C ATOM 1212 C PHE A 85 -6.195 0.310 3.348 1.00 0.00 C ATOM 1213 O PHE A 85 -5.076 -0.203 3.359 1.00 0.00 O ATOM 1214 CB PHE A 85 -5.577 2.354 2.045 1.00 0.00 C ATOM 1215 CG PHE A 85 -5.590 3.852 1.935 1.00 0.00 C ATOM 1216 CD1 PHE A 85 -6.684 4.510 1.397 1.00 0.00 C ATOM 1217 CD2 PHE A 85 -4.509 4.601 2.369 1.00 0.00 C ATOM 1218 CE1 PHE A 85 -6.699 5.888 1.293 1.00 0.00 C ATOM 1219 CE2 PHE A 85 -4.518 5.980 2.269 1.00 0.00 C ATOM 1220 CZ PHE A 85 -5.615 6.624 1.731 1.00 0.00 C ATOM 0 H PHE A 85 -4.922 2.366 4.672 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.419 2.046 3.110 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.544 2.012 2.115 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.993 1.927 1.133 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.535 3.940 1.055 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.649 4.102 2.791 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.557 6.389 0.870 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.669 6.553 2.611 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.625 7.701 1.653 1.00 0.00 H new ATOM 1230 N GLN A 86 -7.317 -0.399 3.424 1.00 0.00 N ATOM 1231 CA GLN A 86 -7.296 -1.853 3.526 1.00 0.00 C ATOM 1232 C GLN A 86 -7.368 -2.497 2.146 1.00 0.00 C ATOM 1233 O GLN A 86 -8.116 -2.047 1.277 1.00 0.00 O ATOM 1234 CB GLN A 86 -8.460 -2.342 4.391 1.00 0.00 C ATOM 1235 CG GLN A 86 -8.173 -3.646 5.117 1.00 0.00 C ATOM 1236 CD GLN A 86 -9.428 -4.301 5.659 1.00 0.00 C ATOM 1237 OE1 GLN A 86 -10.300 -4.722 4.899 1.00 0.00 O ATOM 1238 NE2 GLN A 86 -9.526 -4.391 6.980 1.00 0.00 N ATOM 0 H GLN A 86 -8.251 0.010 3.417 1.00 0.00 H new ATOM 0 HA GLN A 86 -6.356 -2.145 3.995 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.704 -1.574 5.125 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.340 -2.473 3.761 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.674 -4.335 4.435 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -7.483 -3.455 5.939 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -8.779 -4.029 7.573 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -10.348 -4.823 7.402 1.00 0.00 H new ATOM 1247 N PHE A 87 -6.585 -3.553 1.949 1.00 0.00 N ATOM 1248 CA PHE A 87 -6.558 -4.258 0.673 1.00 0.00 C ATOM 1249 C PHE A 87 -6.274 -5.743 0.878 1.00 0.00 C ATOM 1250 O PHE A 87 -5.414 -6.119 1.675 1.00 0.00 O ATOM 1251 CB PHE A 87 -5.501 -3.648 -0.249 1.00 0.00 C ATOM 1252 CG PHE A 87 -4.091 -3.898 0.207 1.00 0.00 C ATOM 1253 CD1 PHE A 87 -3.517 -5.151 0.070 1.00 0.00 C ATOM 1254 CD2 PHE A 87 -3.341 -2.879 0.771 1.00 0.00 C ATOM 1255 CE1 PHE A 87 -2.221 -5.384 0.490 1.00 0.00 C ATOM 1256 CE2 PHE A 87 -2.044 -3.105 1.192 1.00 0.00 C ATOM 1257 CZ PHE A 87 -1.483 -4.359 1.050 1.00 0.00 C ATOM 0 H PHE A 87 -5.961 -3.939 2.657 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.539 -4.154 0.209 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.627 -4.055 -1.252 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.667 -2.573 -0.318 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.088 -5.955 -0.370 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.775 -1.896 0.883 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.786 -6.366 0.381 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.470 -2.302 1.631 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.469 -4.538 1.376 1.00 0.00 H new ATOM 1267 N THR A 88 -7.005 -6.585 0.153 1.00 0.00 N ATOM 1268 CA THR A 88 -6.834 -8.029 0.256 1.00 0.00 C ATOM 1269 C THR A 88 -5.849 -8.542 -0.789 1.00 0.00 C ATOM 1270 O THR A 88 -5.862 -8.100 -1.938 1.00 0.00 O ATOM 1271 CB THR A 88 -8.175 -8.766 0.086 1.00 0.00 C ATOM 1272 OG1 THR A 88 -9.129 -8.274 1.035 1.00 0.00 O ATOM 1273 CG2 THR A 88 -7.996 -10.265 0.272 1.00 0.00 C ATOM 0 H THR A 88 -7.721 -6.291 -0.512 1.00 0.00 H new ATOM 0 HA THR A 88 -6.440 -8.231 1.252 1.00 0.00 H new ATOM 0 HB THR A 88 -8.539 -8.582 -0.925 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.980 -8.747 0.919 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.957 -10.764 0.147 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.292 -10.642 -0.470 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.611 -10.464 1.272 1.00 0.00 H new ATOM 1281 N VAL A 89 -4.997 -9.477 -0.383 1.00 0.00 N ATOM 1282 CA VAL A 89 -4.006 -10.052 -1.285 1.00 0.00 C ATOM 1283 C VAL A 89 -4.486 -11.383 -1.852 1.00 0.00 C ATOM 1284 O VAL A 89 -5.057 -12.205 -1.136 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.657 -10.266 -0.573 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -1.569 -10.606 -1.581 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -2.280 -9.034 0.235 1.00 0.00 C ATOM 0 H VAL A 89 -4.973 -9.853 0.565 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.869 -9.341 -2.100 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.758 -11.106 0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.623 -10.754 -1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.837 -11.520 -2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.466 -9.789 -2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.324 -9.203 0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.197 -8.174 -0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.048 -8.841 0.984 1.00 0.00 H new ATOM 1297 N GLY A 90 -4.249 -11.590 -3.144 1.00 0.00 N ATOM 1298 CA GLY A 90 -4.663 -12.824 -3.786 1.00 0.00 C ATOM 1299 C GLY A 90 -3.489 -13.627 -4.309 1.00 0.00 C ATOM 1300 O GLY A 90 -2.355 -13.476 -3.856 1.00 0.00 O ATOM 0 H GLY A 90 -3.778 -10.925 -3.757 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.225 -13.429 -3.075 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.337 -12.593 -4.611 1.00 0.00 H new ATOM 1304 N PRO A 91 -3.757 -14.507 -5.285 1.00 0.00 N ATOM 1305 CA PRO A 91 -2.727 -15.356 -5.891 1.00 0.00 C ATOM 1306 C PRO A 91 -1.747 -14.559 -6.744 1.00 0.00 C ATOM 1307 O PRO A 91 -2.142 -13.652 -7.479 1.00 0.00 O ATOM 1308 CB PRO A 91 -3.532 -16.323 -6.764 1.00 0.00 C ATOM 1309 CG PRO A 91 -4.791 -15.590 -7.078 1.00 0.00 C ATOM 1310 CD PRO A 91 -5.087 -14.740 -5.874 1.00 0.00 C ATOM 0 HA PRO A 91 -2.112 -15.850 -5.139 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -2.988 -16.583 -7.672 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.737 -17.255 -6.237 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.672 -14.975 -7.970 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.608 -16.284 -7.276 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.573 -13.805 -6.152 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.752 -15.249 -5.176 1.00 0.00 H new ATOM 1318 N LEU A 92 -0.467 -14.901 -6.643 1.00 0.00 N ATOM 1319 CA LEU A 92 0.571 -14.217 -7.407 1.00 0.00 C ATOM 1320 C LEU A 92 0.192 -14.127 -8.881 1.00 0.00 C ATOM 1321 O LEU A 92 0.606 -13.206 -9.584 1.00 0.00 O ATOM 1322 CB LEU A 92 1.907 -14.946 -7.255 1.00 0.00 C ATOM 1323 CG LEU A 92 1.935 -16.400 -7.728 1.00 0.00 C ATOM 1324 CD1 LEU A 92 3.361 -16.836 -8.027 1.00 0.00 C ATOM 1325 CD2 LEU A 92 1.304 -17.312 -6.687 1.00 0.00 C ATOM 0 H LEU A 92 -0.123 -15.648 -6.040 1.00 0.00 H new ATOM 0 HA LEU A 92 0.670 -13.205 -7.014 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.666 -14.391 -7.806 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.194 -14.921 -6.204 1.00 0.00 H new ATOM 0 HG LEU A 92 1.353 -16.474 -8.647 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.362 -17.873 -8.362 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.779 -16.202 -8.809 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.966 -16.746 -7.125 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.333 -18.343 -7.041 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.858 -17.234 -5.751 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.269 -17.014 -6.522 1.00 0.00 H new ATOM 1337 N GLY A 93 -0.601 -15.089 -9.344 1.00 0.00 N ATOM 1338 CA GLY A 93 -1.025 -15.099 -10.732 1.00 0.00 C ATOM 1339 C GLY A 93 -1.759 -16.371 -11.105 1.00 0.00 C ATOM 1340 O GLY A 93 -2.118 -17.165 -10.236 1.00 0.00 O ATOM 0 H GLY A 93 -0.957 -15.862 -8.782 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.673 -14.242 -10.917 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.153 -14.984 -11.376 1.00 0.00 H new ATOM 1344 N GLU A 94 -1.983 -16.565 -12.401 1.00 0.00 N ATOM 1345 CA GLU A 94 -2.681 -17.749 -12.886 1.00 0.00 C ATOM 1346 C GLU A 94 -1.752 -18.960 -12.904 1.00 0.00 C ATOM 1347 O GLU A 94 -0.725 -18.958 -13.582 1.00 0.00 O ATOM 1348 CB GLU A 94 -3.240 -17.500 -14.289 1.00 0.00 C ATOM 1349 CG GLU A 94 -4.579 -16.783 -14.292 1.00 0.00 C ATOM 1350 CD GLU A 94 -4.869 -16.094 -15.611 1.00 0.00 C ATOM 1351 OE1 GLU A 94 -4.490 -14.914 -15.762 1.00 0.00 O ATOM 1352 OE2 GLU A 94 -5.476 -16.737 -16.494 1.00 0.00 O ATOM 0 H GLU A 94 -1.691 -15.918 -13.133 1.00 0.00 H new ATOM 0 HA GLU A 94 -3.507 -17.957 -12.205 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.521 -16.911 -14.858 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.348 -18.455 -14.803 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -5.372 -17.500 -14.079 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -4.593 -16.045 -13.490 1.00 0.00 H new ATOM 1359 N GLY A 95 -2.121 -19.993 -12.154 1.00 0.00 N ATOM 1360 CA GLY A 95 -1.311 -21.196 -12.097 1.00 0.00 C ATOM 1361 C GLY A 95 -1.558 -22.002 -10.837 1.00 0.00 C ATOM 1362 O GLY A 95 -1.803 -21.441 -9.770 1.00 0.00 O ATOM 0 H GLY A 95 -2.967 -20.019 -11.584 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -1.524 -21.815 -12.968 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -0.257 -20.923 -12.150 1.00 0.00 H new ATOM 1366 N GLY A 96 -1.495 -23.325 -10.961 1.00 0.00 N ATOM 1367 CA GLY A 96 -1.718 -24.188 -9.816 1.00 0.00 C ATOM 1368 C GLY A 96 -0.629 -25.231 -9.656 1.00 0.00 C ATOM 1369 O GLY A 96 0.545 -24.893 -9.504 1.00 0.00 O ATOM 0 H GLY A 96 -1.294 -23.814 -11.833 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.771 -23.581 -8.912 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.682 -24.686 -9.923 1.00 0.00 H new ATOM 1373 N SER A 97 -1.019 -26.501 -9.687 1.00 0.00 N ATOM 1374 CA SER A 97 -0.068 -27.596 -9.538 1.00 0.00 C ATOM 1375 C SER A 97 0.516 -27.621 -8.129 1.00 0.00 C ATOM 1376 O SER A 97 1.627 -28.105 -7.913 1.00 0.00 O ATOM 1377 CB SER A 97 1.057 -27.466 -10.567 1.00 0.00 C ATOM 1378 OG SER A 97 1.855 -28.637 -10.600 1.00 0.00 O ATOM 0 H SER A 97 -1.987 -26.797 -9.814 1.00 0.00 H new ATOM 0 HA SER A 97 -0.600 -28.532 -9.708 1.00 0.00 H new ATOM 0 HB2 SER A 97 0.632 -27.284 -11.554 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.679 -26.605 -10.324 1.00 0.00 H new ATOM 0 HG SER A 97 2.031 -28.939 -9.684 1.00 0.00 H new ATOM 1384 N GLY A 98 -0.241 -27.093 -7.172 1.00 0.00 N ATOM 1385 CA GLY A 98 0.217 -27.064 -5.795 1.00 0.00 C ATOM 1386 C GLY A 98 0.005 -28.386 -5.085 1.00 0.00 C ATOM 1387 O GLY A 98 0.873 -29.259 -5.081 1.00 0.00 O ATOM 0 H GLY A 98 -1.163 -26.685 -7.326 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.277 -26.809 -5.773 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -0.311 -26.277 -5.256 1.00 0.00 H new ATOM 1391 N PRO A 99 -1.173 -28.547 -4.464 1.00 0.00 N ATOM 1392 CA PRO A 99 -1.523 -29.770 -3.735 1.00 0.00 C ATOM 1393 C PRO A 99 -1.740 -30.958 -4.666 1.00 0.00 C ATOM 1394 O PRO A 99 -1.790 -32.105 -4.222 1.00 0.00 O ATOM 1395 CB PRO A 99 -2.829 -29.399 -3.028 1.00 0.00 C ATOM 1396 CG PRO A 99 -3.418 -28.315 -3.863 1.00 0.00 C ATOM 1397 CD PRO A 99 -2.254 -27.548 -4.427 1.00 0.00 C ATOM 0 HA PRO A 99 -0.729 -30.082 -3.057 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.500 -30.256 -2.961 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -2.644 -29.058 -2.009 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -4.036 -28.728 -4.660 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -4.060 -27.667 -3.266 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -2.474 -27.157 -5.420 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -1.992 -26.696 -3.800 1.00 0.00 H new ATOM 1405 N SER A 100 -1.867 -30.676 -5.958 1.00 0.00 N ATOM 1406 CA SER A 100 -2.082 -31.722 -6.951 1.00 0.00 C ATOM 1407 C SER A 100 -1.040 -32.827 -6.810 1.00 0.00 C ATOM 1408 O SER A 100 0.111 -32.568 -6.460 1.00 0.00 O ATOM 1409 CB SER A 100 -2.030 -31.133 -8.362 1.00 0.00 C ATOM 1410 OG SER A 100 -3.231 -30.447 -8.673 1.00 0.00 O ATOM 0 H SER A 100 -1.825 -29.732 -6.342 1.00 0.00 H new ATOM 0 HA SER A 100 -3.069 -32.153 -6.781 1.00 0.00 H new ATOM 0 HB2 SER A 100 -1.185 -30.449 -8.443 1.00 0.00 H new ATOM 0 HB3 SER A 100 -1.865 -31.930 -9.087 1.00 0.00 H new ATOM 0 HG SER A 100 -3.172 -30.078 -9.579 1.00 0.00 H new ATOM 1416 N SER A 101 -1.453 -34.060 -7.087 1.00 0.00 N ATOM 1417 CA SER A 101 -0.557 -35.206 -6.987 1.00 0.00 C ATOM 1418 C SER A 101 -1.027 -36.343 -7.890 1.00 0.00 C ATOM 1419 O SER A 101 -2.052 -36.973 -7.631 1.00 0.00 O ATOM 1420 CB SER A 101 -0.474 -35.691 -5.539 1.00 0.00 C ATOM 1421 OG SER A 101 0.626 -36.566 -5.357 1.00 0.00 O ATOM 0 H SER A 101 -2.402 -34.291 -7.382 1.00 0.00 H new ATOM 0 HA SER A 101 0.434 -34.891 -7.314 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.377 -34.836 -4.871 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.398 -36.202 -5.270 1.00 0.00 H new ATOM 0 HG SER A 101 0.658 -36.861 -4.423 1.00 0.00 H new ATOM 1427 N GLY A 102 -0.270 -36.599 -8.952 1.00 0.00 N ATOM 1428 CA GLY A 102 -0.624 -37.659 -9.878 1.00 0.00 C ATOM 1429 C GLY A 102 -1.031 -37.128 -11.238 1.00 0.00 C ATOM 1430 O GLY A 102 -0.340 -37.353 -12.232 1.00 0.00 O ATOM 0 H GLY A 102 0.583 -36.091 -9.188 1.00 0.00 H new ATOM 0 HA2 GLY A 102 0.224 -38.334 -9.994 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.443 -38.244 -9.460 1.00 0.00 H new TER 1434 GLY A 102