USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 642 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 Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 66 HIS : no HD1:sc= -0.118 K(o=-0.12,f=-0.76) USER MOD Single : A 67 HIS : no HD1:sc= -0.461 X(o=-0.46,f=-0.31) USER MOD Single : A 69 SER OG : rot 180:sc= -0.779 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot -34:sc= -1.94! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 63 GLN : amide:sc= 0.0931 K(o=0.093,f=-3.8!) USER MOD Single : B 66 HIS : no HD1:sc= -0.274 X(o=-0.27,f=-0.046) USER MOD Single : B 67 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : B 69 SER OG : rot 180:sc= 0.106 USER MOD Single : B 74 THR OG1 : rot 87:sc= 1.23 USER MOD Single : B 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 THR OG1 : rot -37:sc= -2.16! USER MOD Single : B 92 SER OG : rot -51:sc= 1.22 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 61 2.559 -12.541 6.357 1.00 0.00 N ATOM 2 CA ARG A 61 3.129 -12.522 5.015 1.00 0.00 C ATOM 3 C ARG A 61 2.312 -11.626 4.090 1.00 0.00 C ATOM 4 O ARG A 61 1.403 -12.091 3.402 1.00 0.00 O ATOM 5 CB ARG A 61 3.192 -13.941 4.445 1.00 0.00 C ATOM 6 CG ARG A 61 4.312 -14.784 5.032 1.00 0.00 C ATOM 7 CD ARG A 61 4.181 -16.244 4.626 1.00 0.00 C ATOM 8 NE ARG A 61 3.120 -16.925 5.363 1.00 0.00 N ATOM 9 CZ ARG A 61 2.842 -18.216 5.226 1.00 0.00 C ATOM 10 NH1 ARG A 61 3.544 -18.963 4.384 1.00 0.00 N ATOM 11 NH2 ARG A 61 1.861 -18.764 5.932 1.00 0.00 N ATOM 0 HA ARG A 61 4.140 -12.119 5.082 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.240 -14.439 4.627 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.320 -13.884 3.364 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.274 -14.397 4.697 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.297 -14.705 6.119 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.977 -16.306 3.557 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.128 -16.755 4.800 1.00 0.00 H new ATOM 0 HE ARG A 61 2.562 -16.379 6.019 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.299 -18.546 3.840 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.328 -19.955 4.281 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.319 -18.193 6.581 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.649 -19.756 5.826 1.00 0.00 H new ATOM 25 N VAL A 62 2.641 -10.338 4.079 1.00 0.00 N ATOM 26 CA VAL A 62 1.938 -9.377 3.238 1.00 0.00 C ATOM 27 C VAL A 62 2.062 -9.743 1.763 1.00 0.00 C ATOM 28 O VAL A 62 3.166 -9.881 1.239 1.00 0.00 O ATOM 29 CB VAL A 62 2.476 -7.949 3.448 1.00 0.00 C ATOM 30 CG1 VAL A 62 3.975 -7.901 3.197 1.00 0.00 C ATOM 31 CG2 VAL A 62 1.744 -6.966 2.546 1.00 0.00 C ATOM 0 H VAL A 62 3.390 -9.936 4.643 1.00 0.00 H new ATOM 0 HA VAL A 62 0.888 -9.409 3.530 1.00 0.00 H new ATOM 0 HB VAL A 62 2.296 -7.660 4.483 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.337 -6.884 3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.481 -8.575 3.888 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.182 -8.210 2.172 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.137 -5.962 2.707 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.891 -7.250 1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.679 -6.981 2.780 1.00 0.00 H new ATOM 41 N GLN A 63 0.920 -9.898 1.100 1.00 0.00 N ATOM 42 CA GLN A 63 0.901 -10.248 -0.316 1.00 0.00 C ATOM 43 C GLN A 63 1.043 -9.004 -1.186 1.00 0.00 C ATOM 44 O GLN A 63 0.748 -7.891 -0.749 1.00 0.00 O ATOM 45 CB GLN A 63 -0.394 -10.984 -0.663 1.00 0.00 C ATOM 46 CG GLN A 63 -0.280 -11.867 -1.896 1.00 0.00 C ATOM 47 CD GLN A 63 -1.595 -12.523 -2.267 1.00 0.00 C ATOM 48 OE1 GLN A 63 -2.314 -13.029 -1.406 1.00 0.00 O ATOM 49 NE2 GLN A 63 -1.916 -12.519 -3.556 1.00 0.00 N ATOM 0 H GLN A 63 -0.003 -9.787 1.520 1.00 0.00 H new ATOM 0 HA GLN A 63 1.748 -10.905 -0.514 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -0.692 -11.598 0.187 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.186 -10.253 -0.822 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.073 -11.268 -2.736 1.00 0.00 H new ATOM 0 HG3 GLN A 63 0.469 -12.639 -1.718 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.290 -12.088 -4.236 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.789 -12.947 -3.866 1.00 0.00 H new ATOM 58 N LEU A 64 1.495 -9.199 -2.420 1.00 0.00 N ATOM 59 CA LEU A 64 1.676 -8.093 -3.353 1.00 0.00 C ATOM 60 C LEU A 64 2.544 -6.999 -2.739 1.00 0.00 C ATOM 61 O LEU A 64 3.137 -7.186 -1.677 1.00 0.00 O ATOM 62 CB LEU A 64 0.319 -7.515 -3.758 1.00 0.00 C ATOM 63 CG LEU A 64 -0.725 -8.525 -4.237 1.00 0.00 C ATOM 64 CD1 LEU A 64 -2.130 -7.986 -4.016 1.00 0.00 C ATOM 65 CD2 LEU A 64 -0.506 -8.863 -5.704 1.00 0.00 C ATOM 0 H LEU A 64 1.743 -10.114 -2.798 1.00 0.00 H new ATOM 0 HA LEU A 64 2.180 -8.477 -4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.092 -6.974 -2.906 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.480 -6.785 -4.551 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.613 -9.439 -3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.859 -8.718 -4.363 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.284 -7.796 -2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.255 -7.057 -4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.258 -9.583 -6.028 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.590 -7.956 -6.303 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.487 -9.293 -5.834 1.00 0.00 H new ATOM 77 N ALA A 65 2.612 -5.856 -3.414 1.00 0.00 N ATOM 78 CA ALA A 65 3.404 -4.731 -2.932 1.00 0.00 C ATOM 79 C ALA A 65 4.896 -5.005 -3.085 1.00 0.00 C ATOM 80 O ALA A 65 5.709 -4.534 -2.288 1.00 0.00 O ATOM 81 CB ALA A 65 3.066 -4.431 -1.479 1.00 0.00 C ATOM 0 H ALA A 65 2.128 -5.685 -4.296 1.00 0.00 H new ATOM 0 HA ALA A 65 3.158 -3.859 -3.538 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.665 -3.589 -1.133 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.008 -4.183 -1.395 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.283 -5.306 -0.867 1.00 0.00 H new ATOM 87 N HIS A 66 5.251 -5.769 -4.113 1.00 0.00 N ATOM 88 CA HIS A 66 6.647 -6.106 -4.370 1.00 0.00 C ATOM 89 C HIS A 66 7.392 -4.915 -4.964 1.00 0.00 C ATOM 90 O HIS A 66 6.866 -3.803 -5.015 1.00 0.00 O ATOM 91 CB HIS A 66 6.739 -7.304 -5.315 1.00 0.00 C ATOM 92 CG HIS A 66 7.645 -8.389 -4.821 1.00 0.00 C ATOM 93 ND1 HIS A 66 8.765 -8.143 -4.055 1.00 0.00 N ATOM 94 CD2 HIS A 66 7.592 -9.731 -4.986 1.00 0.00 C ATOM 95 CE1 HIS A 66 9.362 -9.287 -3.772 1.00 0.00 C ATOM 96 NE2 HIS A 66 8.670 -10.266 -4.324 1.00 0.00 N ATOM 0 H HIS A 66 4.591 -6.167 -4.782 1.00 0.00 H new ATOM 0 HA HIS A 66 7.113 -6.367 -3.420 1.00 0.00 H new ATOM 0 HB2 HIS A 66 5.741 -7.716 -5.465 1.00 0.00 H new ATOM 0 HB3 HIS A 66 7.092 -6.962 -6.288 1.00 0.00 H new ATOM 0 HD2 HIS A 66 6.842 -10.279 -5.536 1.00 0.00 H new ATOM 0 HE1 HIS A 66 10.263 -9.402 -3.188 1.00 0.00 H new ATOM 0 HE2 HIS A 66 8.899 -11.258 -4.268 1.00 0.00 H new ATOM 104 N HIS A 67 8.620 -5.155 -5.413 1.00 0.00 N ATOM 105 CA HIS A 67 9.438 -4.102 -6.004 1.00 0.00 C ATOM 106 C HIS A 67 10.742 -4.672 -6.556 1.00 0.00 C ATOM 107 O HIS A 67 11.786 -4.023 -6.503 1.00 0.00 O ATOM 108 CB HIS A 67 9.740 -3.020 -4.967 1.00 0.00 C ATOM 109 CG HIS A 67 10.271 -1.752 -5.563 1.00 0.00 C ATOM 110 ND1 HIS A 67 10.717 -0.692 -4.802 1.00 0.00 N ATOM 111 CD2 HIS A 67 10.428 -1.378 -6.854 1.00 0.00 C ATOM 112 CE1 HIS A 67 11.124 0.279 -5.599 1.00 0.00 C ATOM 113 NE2 HIS A 67 10.959 -0.112 -6.850 1.00 0.00 N ATOM 0 H HIS A 67 9.070 -6.070 -5.379 1.00 0.00 H new ATOM 0 HA HIS A 67 8.878 -3.660 -6.828 1.00 0.00 H new ATOM 0 HB2 HIS A 67 8.830 -2.797 -4.411 1.00 0.00 H new ATOM 0 HB3 HIS A 67 10.465 -3.407 -4.251 1.00 0.00 H new ATOM 0 HD2 HIS A 67 10.181 -1.966 -7.726 1.00 0.00 H new ATOM 0 HE1 HIS A 67 11.524 1.231 -5.282 1.00 0.00 H new ATOM 0 HE2 HIS A 67 11.189 0.437 -7.678 1.00 0.00 H new ATOM 121 N PHE A 68 10.672 -5.889 -7.085 1.00 0.00 N ATOM 122 CA PHE A 68 11.847 -6.547 -7.645 1.00 0.00 C ATOM 123 C PHE A 68 12.402 -5.757 -8.826 1.00 0.00 C ATOM 124 O PHE A 68 11.783 -4.801 -9.293 1.00 0.00 O ATOM 125 CB PHE A 68 11.498 -7.970 -8.087 1.00 0.00 C ATOM 126 CG PHE A 68 10.210 -8.060 -8.853 1.00 0.00 C ATOM 127 CD1 PHE A 68 10.069 -7.426 -10.077 1.00 0.00 C ATOM 128 CD2 PHE A 68 9.138 -8.780 -8.349 1.00 0.00 C ATOM 129 CE1 PHE A 68 8.885 -7.507 -10.784 1.00 0.00 C ATOM 130 CE2 PHE A 68 7.951 -8.865 -9.053 1.00 0.00 C ATOM 131 CZ PHE A 68 7.824 -8.227 -10.271 1.00 0.00 C ATOM 0 H PHE A 68 9.815 -6.439 -7.138 1.00 0.00 H new ATOM 0 HA PHE A 68 12.612 -6.592 -6.870 1.00 0.00 H new ATOM 0 HB2 PHE A 68 12.307 -8.359 -8.705 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.434 -8.610 -7.207 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.895 -6.861 -10.483 1.00 0.00 H new ATOM 0 HD2 PHE A 68 9.231 -9.280 -7.396 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.789 -7.008 -11.737 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.123 -9.430 -8.650 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.897 -8.291 -10.821 1.00 0.00 H new ATOM 141 N SER A 69 13.574 -6.162 -9.303 1.00 0.00 N ATOM 142 CA SER A 69 14.216 -5.490 -10.427 1.00 0.00 C ATOM 143 C SER A 69 13.258 -5.370 -11.608 1.00 0.00 C ATOM 144 O SER A 69 12.571 -6.328 -11.962 1.00 0.00 O ATOM 145 CB SER A 69 15.475 -6.249 -10.852 1.00 0.00 C ATOM 146 OG SER A 69 15.264 -6.945 -12.068 1.00 0.00 O ATOM 0 H SER A 69 14.099 -6.952 -8.929 1.00 0.00 H new ATOM 0 HA SER A 69 14.496 -4.487 -10.106 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.303 -5.550 -10.968 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.760 -6.954 -10.071 1.00 0.00 H new ATOM 0 HG SER A 69 16.083 -7.421 -12.319 1.00 0.00 H new ATOM 152 N GLU A 70 13.218 -4.187 -12.212 1.00 0.00 N ATOM 153 CA GLU A 70 12.343 -3.941 -13.352 1.00 0.00 C ATOM 154 C GLU A 70 13.112 -3.287 -14.497 1.00 0.00 C ATOM 155 O GLU A 70 12.888 -2.127 -14.845 1.00 0.00 O ATOM 156 CB GLU A 70 11.167 -3.053 -12.940 1.00 0.00 C ATOM 157 CG GLU A 70 11.521 -2.032 -11.871 1.00 0.00 C ATOM 158 CD GLU A 70 12.770 -1.242 -12.211 1.00 0.00 C ATOM 159 OE1 GLU A 70 12.672 -0.294 -13.018 1.00 0.00 O ATOM 160 OE2 GLU A 70 13.845 -1.571 -11.668 1.00 0.00 O ATOM 0 H GLU A 70 13.781 -3.384 -11.931 1.00 0.00 H new ATOM 0 HA GLU A 70 11.960 -4.902 -13.696 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.792 -2.530 -13.820 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.357 -3.684 -12.574 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.685 -1.345 -11.739 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.667 -2.543 -10.919 1.00 0.00 H new ATOM 167 N PRO A 71 14.040 -4.047 -15.096 1.00 0.00 N ATOM 168 CA PRO A 71 14.861 -3.562 -16.210 1.00 0.00 C ATOM 169 C PRO A 71 14.051 -3.372 -17.487 1.00 0.00 C ATOM 170 O PRO A 71 14.558 -2.858 -18.483 1.00 0.00 O ATOM 171 CB PRO A 71 15.899 -4.673 -16.394 1.00 0.00 C ATOM 172 CG PRO A 71 15.241 -5.898 -15.861 1.00 0.00 C ATOM 173 CD PRO A 71 14.359 -5.438 -14.733 1.00 0.00 C ATOM 0 HA PRO A 71 15.295 -2.584 -16.002 1.00 0.00 H new ATOM 0 HB2 PRO A 71 16.169 -4.793 -17.443 1.00 0.00 H new ATOM 0 HB3 PRO A 71 16.818 -4.450 -15.852 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.657 -6.395 -16.635 1.00 0.00 H new ATOM 0 HG3 PRO A 71 15.981 -6.617 -15.509 1.00 0.00 H new ATOM 0 HD2 PRO A 71 13.460 -6.048 -14.651 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.872 -5.495 -13.773 1.00 0.00 H new ATOM 181 N GLU A 72 12.789 -3.790 -17.451 1.00 0.00 N ATOM 182 CA GLU A 72 11.910 -3.666 -18.607 1.00 0.00 C ATOM 183 C GLU A 72 11.353 -2.249 -18.716 1.00 0.00 C ATOM 184 O GLU A 72 10.290 -2.032 -19.299 1.00 0.00 O ATOM 185 CB GLU A 72 10.761 -4.671 -18.513 1.00 0.00 C ATOM 186 CG GLU A 72 11.222 -6.117 -18.443 1.00 0.00 C ATOM 187 CD GLU A 72 12.363 -6.412 -19.397 1.00 0.00 C ATOM 188 OE1 GLU A 72 13.514 -6.046 -19.077 1.00 0.00 O ATOM 189 OE2 GLU A 72 12.106 -7.010 -20.463 1.00 0.00 O ATOM 0 H GLU A 72 12.353 -4.217 -16.634 1.00 0.00 H new ATOM 0 HA GLU A 72 12.496 -3.879 -19.501 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.164 -4.446 -17.630 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.110 -4.548 -19.378 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.537 -6.345 -17.425 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.383 -6.774 -18.672 1.00 0.00 H new ATOM 196 N ILE A 73 12.078 -1.289 -18.152 1.00 0.00 N ATOM 197 CA ILE A 73 11.657 0.106 -18.186 1.00 0.00 C ATOM 198 C ILE A 73 11.363 0.556 -19.613 1.00 0.00 C ATOM 199 O ILE A 73 10.257 1.003 -19.920 1.00 0.00 O ATOM 200 CB ILE A 73 12.727 1.032 -17.578 1.00 0.00 C ATOM 201 CG1 ILE A 73 13.092 0.567 -16.167 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.233 2.470 -17.557 1.00 0.00 C ATOM 203 CD1 ILE A 73 14.097 1.463 -15.476 1.00 0.00 C ATOM 0 H ILE A 73 12.960 -1.452 -17.666 1.00 0.00 H new ATOM 0 HA ILE A 73 10.747 0.176 -17.590 1.00 0.00 H new ATOM 0 HB ILE A 73 13.622 0.986 -18.198 1.00 0.00 H new ATOM 0 HG12 ILE A 73 12.186 0.518 -15.563 1.00 0.00 H new ATOM 0 HG13 ILE A 73 13.495 -0.444 -16.219 1.00 0.00 H new ATOM 0 HG21 ILE A 73 13.000 3.112 -17.125 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.018 2.796 -18.575 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.326 2.534 -16.957 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.309 1.073 -14.481 1.00 0.00 H new ATOM 0 HD12 ILE A 73 15.018 1.493 -16.058 1.00 0.00 H new ATOM 0 HD13 ILE A 73 13.689 2.470 -15.391 1.00 0.00 H new ATOM 215 N THR A 74 12.360 0.434 -20.484 1.00 0.00 N ATOM 216 CA THR A 74 12.209 0.828 -21.879 1.00 0.00 C ATOM 217 C THR A 74 10.950 0.222 -22.488 1.00 0.00 C ATOM 218 O THR A 74 10.199 0.900 -23.191 1.00 0.00 O ATOM 219 CB THR A 74 13.429 0.402 -22.718 1.00 0.00 C ATOM 220 OG1 THR A 74 14.628 0.937 -22.147 1.00 0.00 O ATOM 221 CG2 THR A 74 13.289 0.879 -24.156 1.00 0.00 C ATOM 0 H THR A 74 13.281 0.065 -20.247 1.00 0.00 H new ATOM 0 HA THR A 74 12.129 1.915 -21.894 1.00 0.00 H new ATOM 0 HB THR A 74 13.481 -0.687 -22.716 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.399 0.660 -22.685 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.162 0.567 -24.729 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.391 0.446 -24.597 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.214 1.966 -24.173 1.00 0.00 H new ATOM 229 N LEU A 75 10.724 -1.058 -22.215 1.00 0.00 N ATOM 230 CA LEU A 75 9.554 -1.757 -22.736 1.00 0.00 C ATOM 231 C LEU A 75 8.269 -1.039 -22.337 1.00 0.00 C ATOM 232 O LEU A 75 7.409 -0.772 -23.177 1.00 0.00 O ATOM 233 CB LEU A 75 9.527 -3.198 -22.225 1.00 0.00 C ATOM 234 CG LEU A 75 10.487 -4.172 -22.909 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.364 -5.560 -22.301 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.222 -4.218 -24.407 1.00 0.00 C ATOM 0 H LEU A 75 11.335 -1.633 -21.636 1.00 0.00 H new ATOM 0 HA LEU A 75 9.621 -1.766 -23.824 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.751 -3.188 -21.158 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.513 -3.582 -22.335 1.00 0.00 H new ATOM 0 HG LEU A 75 11.506 -3.819 -22.751 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.055 -6.239 -22.801 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.605 -5.515 -21.239 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.344 -5.923 -22.427 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.914 -4.916 -24.878 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.198 -4.546 -24.585 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.364 -3.224 -24.832 1.00 0.00 H new ATOM 248 N ILE A 76 8.146 -0.729 -21.051 1.00 0.00 N ATOM 249 CA ILE A 76 6.967 -0.039 -20.541 1.00 0.00 C ATOM 250 C ILE A 76 6.736 1.274 -21.282 1.00 0.00 C ATOM 251 O ILE A 76 5.615 1.578 -21.691 1.00 0.00 O ATOM 252 CB ILE A 76 7.092 0.250 -19.034 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.280 -1.054 -18.256 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.865 0.999 -18.535 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.157 -2.046 -18.460 1.00 0.00 C ATOM 0 H ILE A 76 8.848 -0.945 -20.343 1.00 0.00 H new ATOM 0 HA ILE A 76 6.117 -0.701 -20.706 1.00 0.00 H new ATOM 0 HB ILE A 76 7.968 0.878 -18.871 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.221 -1.515 -18.557 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.363 -0.825 -17.194 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.968 1.196 -17.468 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.772 1.943 -19.071 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.975 0.395 -18.708 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.357 -2.946 -17.879 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.217 -1.603 -18.132 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.087 -2.304 -19.517 1.00 0.00 H new ATOM 267 N ILE A 77 7.803 2.047 -21.452 1.00 0.00 N ATOM 268 CA ILE A 77 7.716 3.326 -22.146 1.00 0.00 C ATOM 269 C ILE A 77 7.302 3.134 -23.601 1.00 0.00 C ATOM 270 O ILE A 77 6.379 3.789 -24.086 1.00 0.00 O ATOM 271 CB ILE A 77 9.057 4.083 -22.102 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.487 4.318 -20.652 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.945 5.404 -22.848 1.00 0.00 C ATOM 274 CD1 ILE A 77 10.713 5.194 -20.520 1.00 0.00 C ATOM 0 H ILE A 77 8.738 1.810 -21.119 1.00 0.00 H new ATOM 0 HA ILE A 77 6.958 3.915 -21.629 1.00 0.00 H new ATOM 0 HB ILE A 77 9.817 3.475 -22.593 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.662 4.777 -20.107 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.685 3.356 -20.180 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.901 5.927 -22.808 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.679 5.213 -23.888 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.175 6.020 -22.384 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.960 5.318 -19.466 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.551 4.727 -21.037 1.00 0.00 H new ATOM 0 HD13 ILE A 77 10.512 6.170 -20.962 1.00 0.00 H new ATOM 286 N PHE A 78 7.989 2.232 -24.293 1.00 0.00 N ATOM 287 CA PHE A 78 7.692 1.953 -25.693 1.00 0.00 C ATOM 288 C PHE A 78 6.222 1.588 -25.875 1.00 0.00 C ATOM 289 O PHE A 78 5.543 2.119 -26.752 1.00 0.00 O ATOM 290 CB PHE A 78 8.579 0.817 -26.208 1.00 0.00 C ATOM 291 CG PHE A 78 8.181 0.315 -27.567 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.670 0.919 -28.714 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.318 -0.762 -27.697 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.305 0.459 -29.965 1.00 0.00 C ATOM 295 CE2 PHE A 78 6.949 -1.226 -28.945 1.00 0.00 C ATOM 296 CZ PHE A 78 7.444 -0.616 -30.081 1.00 0.00 C ATOM 0 H PHE A 78 8.756 1.681 -23.907 1.00 0.00 H new ATOM 0 HA PHE A 78 7.898 2.855 -26.269 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.612 1.162 -26.245 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.544 -0.010 -25.499 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.344 1.759 -28.630 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.929 -1.244 -26.812 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.692 0.939 -30.851 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.274 -2.065 -29.032 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.159 -0.978 -31.058 1.00 0.00 H new ATOM 306 N GLY A 79 5.737 0.675 -25.038 1.00 0.00 N ATOM 307 CA GLY A 79 4.350 0.254 -25.123 1.00 0.00 C ATOM 308 C GLY A 79 3.384 1.417 -25.020 1.00 0.00 C ATOM 309 O GLY A 79 2.533 1.606 -25.890 1.00 0.00 O ATOM 0 H GLY A 79 6.279 0.220 -24.304 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.189 -0.266 -26.067 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.141 -0.460 -24.326 1.00 0.00 H new ATOM 313 N VAL A 80 3.512 2.198 -23.952 1.00 0.00 N ATOM 314 CA VAL A 80 2.642 3.348 -23.738 1.00 0.00 C ATOM 315 C VAL A 80 2.796 4.370 -24.858 1.00 0.00 C ATOM 316 O VAL A 80 1.833 5.032 -25.245 1.00 0.00 O ATOM 317 CB VAL A 80 2.938 4.032 -22.390 1.00 0.00 C ATOM 318 CG1 VAL A 80 1.967 5.179 -22.148 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.875 3.022 -21.255 1.00 0.00 C ATOM 0 H VAL A 80 4.210 2.055 -23.222 1.00 0.00 H new ATOM 0 HA VAL A 80 1.618 2.973 -23.730 1.00 0.00 H new ATOM 0 HB VAL A 80 3.947 4.443 -22.425 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.192 5.650 -21.191 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.066 5.914 -22.947 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.947 4.795 -22.133 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.087 3.523 -20.310 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.879 2.580 -21.216 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.614 2.238 -21.424 1.00 0.00 H new ATOM 329 N MET A 81 4.014 4.493 -25.376 1.00 0.00 N ATOM 330 CA MET A 81 4.294 5.434 -26.454 1.00 0.00 C ATOM 331 C MET A 81 3.557 5.035 -27.729 1.00 0.00 C ATOM 332 O MET A 81 2.934 5.870 -28.384 1.00 0.00 O ATOM 333 CB MET A 81 5.799 5.503 -26.722 1.00 0.00 C ATOM 334 CG MET A 81 6.561 6.328 -25.697 1.00 0.00 C ATOM 335 SD MET A 81 6.426 8.101 -25.993 1.00 0.00 S ATOM 336 CE MET A 81 7.242 8.750 -24.536 1.00 0.00 C ATOM 0 H MET A 81 4.822 3.953 -25.067 1.00 0.00 H new ATOM 0 HA MET A 81 3.942 6.418 -26.144 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.204 4.491 -26.736 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.964 5.926 -27.713 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.184 6.100 -24.700 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.612 6.040 -25.713 1.00 0.00 H new ATOM 0 HE1 MET A 81 7.239 9.839 -24.572 1.00 0.00 H new ATOM 0 HE2 MET A 81 6.713 8.416 -23.643 1.00 0.00 H new ATOM 0 HE3 MET A 81 8.271 8.390 -24.504 1.00 0.00 H new ATOM 346 N ALA A 82 3.634 3.754 -28.075 1.00 0.00 N ATOM 347 CA ALA A 82 2.973 3.245 -29.270 1.00 0.00 C ATOM 348 C ALA A 82 1.456 3.327 -29.136 1.00 0.00 C ATOM 349 O ALA A 82 0.764 3.763 -30.054 1.00 0.00 O ATOM 350 CB ALA A 82 3.404 1.812 -29.542 1.00 0.00 C ATOM 0 H ALA A 82 4.147 3.050 -27.545 1.00 0.00 H new ATOM 0 HA ALA A 82 3.271 3.868 -30.113 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.902 1.445 -30.437 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.483 1.779 -29.691 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.136 1.184 -28.693 1.00 0.00 H new ATOM 356 N GLY A 83 0.945 2.903 -27.984 1.00 0.00 N ATOM 357 CA GLY A 83 -0.487 2.936 -27.750 1.00 0.00 C ATOM 358 C GLY A 83 -1.050 4.343 -27.795 1.00 0.00 C ATOM 359 O GLY A 83 -2.015 4.611 -28.510 1.00 0.00 O ATOM 0 H GLY A 83 1.497 2.537 -27.208 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.989 2.323 -28.499 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.703 2.492 -26.778 1.00 0.00 H new ATOM 363 N VAL A 84 -0.446 5.244 -27.027 1.00 0.00 N ATOM 364 CA VAL A 84 -0.892 6.632 -26.981 1.00 0.00 C ATOM 365 C VAL A 84 -0.961 7.234 -28.379 1.00 0.00 C ATOM 366 O VAL A 84 -2.012 7.709 -28.811 1.00 0.00 O ATOM 367 CB VAL A 84 0.040 7.493 -26.108 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.271 8.970 -26.290 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.078 7.091 -24.646 1.00 0.00 C ATOM 0 H VAL A 84 0.354 5.038 -26.428 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.889 6.629 -26.541 1.00 0.00 H new ATOM 0 HB VAL A 84 1.068 7.321 -26.426 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.398 9.562 -25.665 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.130 9.245 -27.335 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.304 9.163 -26.000 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.587 7.710 -24.044 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.106 7.232 -24.312 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.200 6.043 -24.533 1.00 0.00 H new ATOM 379 N ILE A 85 0.166 7.210 -29.084 1.00 0.00 N ATOM 380 CA ILE A 85 0.233 7.752 -30.435 1.00 0.00 C ATOM 381 C ILE A 85 -0.812 7.106 -31.339 1.00 0.00 C ATOM 382 O ILE A 85 -1.459 7.781 -32.138 1.00 0.00 O ATOM 383 CB ILE A 85 1.628 7.548 -31.055 1.00 0.00 C ATOM 384 CG1 ILE A 85 2.697 8.218 -30.189 1.00 0.00 C ATOM 385 CG2 ILE A 85 1.664 8.101 -32.472 1.00 0.00 C ATOM 386 CD1 ILE A 85 4.101 7.734 -30.480 1.00 0.00 C ATOM 0 H ILE A 85 1.044 6.821 -28.741 1.00 0.00 H new ATOM 0 HA ILE A 85 0.032 8.820 -30.357 1.00 0.00 H new ATOM 0 HB ILE A 85 1.838 6.479 -31.098 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.654 9.296 -30.342 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.469 8.036 -29.139 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.656 7.949 -32.897 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.925 7.584 -33.083 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.437 9.167 -32.452 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.806 8.251 -29.830 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.161 6.661 -30.299 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.349 7.941 -31.521 1.00 0.00 H new ATOM 398 N GLY A 86 -0.972 5.793 -31.205 1.00 0.00 N ATOM 399 CA GLY A 86 -1.941 5.077 -32.015 1.00 0.00 C ATOM 400 C GLY A 86 -3.350 5.606 -31.834 1.00 0.00 C ATOM 401 O GLY A 86 -4.033 5.922 -32.809 1.00 0.00 O ATOM 0 H GLY A 86 -0.448 5.212 -30.550 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.659 5.153 -33.065 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.917 4.019 -31.755 1.00 0.00 H new ATOM 405 N THR A 87 -3.790 5.700 -30.583 1.00 0.00 N ATOM 406 CA THR A 87 -5.128 6.191 -30.278 1.00 0.00 C ATOM 407 C THR A 87 -5.347 7.585 -30.856 1.00 0.00 C ATOM 408 O THR A 87 -6.394 7.867 -31.439 1.00 0.00 O ATOM 409 CB THR A 87 -5.378 6.232 -28.759 1.00 0.00 C ATOM 410 OG1 THR A 87 -4.764 5.101 -28.130 1.00 0.00 O ATOM 411 CG2 THR A 87 -6.869 6.239 -28.456 1.00 0.00 C ATOM 0 H THR A 87 -3.239 5.442 -29.764 1.00 0.00 H new ATOM 0 HA THR A 87 -5.832 5.496 -30.736 1.00 0.00 H new ATOM 0 HB THR A 87 -4.939 7.149 -28.366 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.808 4.328 -28.731 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.021 6.268 -27.377 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.329 7.116 -28.911 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.327 5.337 -28.863 1.00 0.00 H new ATOM 419 N ILE A 88 -4.354 8.452 -30.691 1.00 0.00 N ATOM 420 CA ILE A 88 -4.439 9.815 -31.198 1.00 0.00 C ATOM 421 C ILE A 88 -4.747 9.829 -32.691 1.00 0.00 C ATOM 422 O ILE A 88 -5.673 10.507 -33.139 1.00 0.00 O ATOM 423 CB ILE A 88 -3.132 10.591 -30.948 1.00 0.00 C ATOM 424 CG1 ILE A 88 -2.825 10.647 -29.450 1.00 0.00 C ATOM 425 CG2 ILE A 88 -3.231 11.995 -31.526 1.00 0.00 C ATOM 426 CD1 ILE A 88 -1.361 10.869 -29.142 1.00 0.00 C ATOM 0 H ILE A 88 -3.481 8.234 -30.210 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.251 10.302 -30.658 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.316 10.069 -31.448 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.409 11.448 -28.997 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.149 9.715 -28.986 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.300 12.531 -31.341 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.408 11.935 -32.600 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.056 12.527 -31.051 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.217 10.898 -28.062 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.773 10.055 -29.565 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.037 11.815 -29.577 1.00 0.00 H new ATOM 438 N LEU A 89 -3.968 9.074 -33.457 1.00 0.00 N ATOM 439 CA LEU A 89 -4.158 8.996 -34.901 1.00 0.00 C ATOM 440 C LEU A 89 -5.576 8.548 -35.240 1.00 0.00 C ATOM 441 O LEU A 89 -6.282 9.210 -36.003 1.00 0.00 O ATOM 442 CB LEU A 89 -3.145 8.030 -35.518 1.00 0.00 C ATOM 443 CG LEU A 89 -1.713 8.550 -35.646 1.00 0.00 C ATOM 444 CD1 LEU A 89 -0.810 7.487 -36.251 1.00 0.00 C ATOM 445 CD2 LEU A 89 -1.680 9.821 -36.483 1.00 0.00 C ATOM 0 H LEU A 89 -3.198 8.507 -33.102 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.001 9.991 -35.317 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.128 7.121 -34.917 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.498 7.750 -36.510 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.342 8.786 -34.648 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.205 7.876 -36.334 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.809 6.604 -35.612 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.178 7.218 -37.241 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.653 10.177 -36.564 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.070 9.611 -37.479 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.293 10.586 -36.007 1.00 0.00 H new ATOM 457 N LEU A 90 -5.989 7.423 -34.667 1.00 0.00 N ATOM 458 CA LEU A 90 -7.324 6.888 -34.906 1.00 0.00 C ATOM 459 C LEU A 90 -8.395 7.906 -34.528 1.00 0.00 C ATOM 460 O LEU A 90 -9.303 8.186 -35.311 1.00 0.00 O ATOM 461 CB LEU A 90 -7.528 5.597 -34.111 1.00 0.00 C ATOM 462 CG LEU A 90 -6.472 4.510 -34.314 1.00 0.00 C ATOM 463 CD1 LEU A 90 -6.360 3.636 -33.074 1.00 0.00 C ATOM 464 CD2 LEU A 90 -6.805 3.665 -35.535 1.00 0.00 C ATOM 0 H LEU A 90 -5.418 6.864 -34.033 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.416 6.670 -35.970 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.563 5.848 -33.051 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.502 5.183 -34.372 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.509 4.993 -34.482 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.604 2.868 -33.237 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.075 4.251 -32.220 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.321 3.162 -32.875 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.043 2.896 -35.664 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.777 3.192 -35.396 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.834 4.300 -36.420 1.00 0.00 H new ATOM 476 N ILE A 91 -8.281 8.457 -33.324 1.00 0.00 N ATOM 477 CA ILE A 91 -9.237 9.447 -32.844 1.00 0.00 C ATOM 478 C ILE A 91 -9.359 10.613 -33.820 1.00 0.00 C ATOM 479 O ILE A 91 -10.462 11.045 -34.153 1.00 0.00 O ATOM 480 CB ILE A 91 -8.838 9.990 -31.460 1.00 0.00 C ATOM 481 CG1 ILE A 91 -8.910 8.878 -30.411 1.00 0.00 C ATOM 482 CG2 ILE A 91 -9.737 11.153 -31.068 1.00 0.00 C ATOM 483 CD1 ILE A 91 -8.021 9.120 -29.212 1.00 0.00 C ATOM 0 H ILE A 91 -7.536 8.235 -32.663 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.200 8.942 -32.763 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.811 10.351 -31.510 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -9.941 8.774 -30.073 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.630 7.933 -30.876 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -9.442 11.526 -30.087 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.641 11.951 -31.804 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -10.773 10.816 -31.032 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -8.123 8.292 -28.510 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.983 9.194 -29.537 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.315 10.049 -28.723 1.00 0.00 H new ATOM 495 N SER A 92 -8.216 11.117 -34.275 1.00 0.00 N ATOM 496 CA SER A 92 -8.194 12.234 -35.212 1.00 0.00 C ATOM 497 C SER A 92 -9.022 11.919 -36.454 1.00 0.00 C ATOM 498 O SER A 92 -9.658 12.802 -37.030 1.00 0.00 O ATOM 499 CB SER A 92 -6.754 12.561 -35.614 1.00 0.00 C ATOM 500 OG SER A 92 -6.715 13.256 -36.849 1.00 0.00 O ATOM 0 H SER A 92 -7.294 10.770 -34.010 1.00 0.00 H new ATOM 0 HA SER A 92 -8.631 13.101 -34.716 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.285 13.165 -34.838 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.177 11.640 -35.693 1.00 0.00 H new ATOM 0 HG SER A 92 -5.784 13.455 -37.083 1.00 0.00 H new ATOM 506 N TYR A 93 -9.009 10.655 -36.860 1.00 0.00 N ATOM 507 CA TYR A 93 -9.757 10.222 -38.035 1.00 0.00 C ATOM 508 C TYR A 93 -11.258 10.238 -37.762 1.00 0.00 C ATOM 509 O TYR A 93 -12.057 10.567 -38.638 1.00 0.00 O ATOM 510 CB TYR A 93 -9.319 8.819 -38.456 1.00 0.00 C ATOM 511 CG TYR A 93 -7.902 8.759 -38.982 1.00 0.00 C ATOM 512 CD1 TYR A 93 -7.419 9.734 -39.846 1.00 0.00 C ATOM 513 CD2 TYR A 93 -7.047 7.728 -38.613 1.00 0.00 C ATOM 514 CE1 TYR A 93 -6.126 9.682 -40.329 1.00 0.00 C ATOM 515 CE2 TYR A 93 -5.751 7.669 -39.091 1.00 0.00 C ATOM 516 CZ TYR A 93 -5.296 8.649 -39.949 1.00 0.00 C ATOM 517 OH TYR A 93 -4.007 8.595 -40.427 1.00 0.00 O ATOM 0 H TYR A 93 -8.489 9.912 -36.393 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.546 10.920 -38.846 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -9.409 8.148 -37.602 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.999 8.451 -39.224 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -8.065 10.546 -40.145 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.401 6.960 -37.941 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.767 10.447 -41.001 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.099 6.861 -38.795 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.556 7.805 -40.062 1.00 0.00 H new ATOM 527 N GLY A 94 -11.634 9.880 -36.538 1.00 0.00 N ATOM 528 CA GLY A 94 -13.037 9.859 -36.169 1.00 0.00 C ATOM 529 C GLY A 94 -13.660 11.242 -36.179 1.00 0.00 C ATOM 530 O GLY A 94 -14.822 11.403 -36.550 1.00 0.00 O ATOM 0 H GLY A 94 -10.992 9.604 -35.795 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.581 9.214 -36.859 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.142 9.424 -35.175 1.00 0.00 H new ATOM 534 N ILE A 95 -12.885 12.240 -35.769 1.00 0.00 N ATOM 535 CA ILE A 95 -13.368 13.615 -35.732 1.00 0.00 C ATOM 536 C ILE A 95 -13.661 14.132 -37.137 1.00 0.00 C ATOM 537 O ILE A 95 -14.554 14.957 -37.331 1.00 0.00 O ATOM 538 CB ILE A 95 -12.349 14.551 -35.055 1.00 0.00 C ATOM 539 CG1 ILE A 95 -12.071 14.087 -33.624 1.00 0.00 C ATOM 540 CG2 ILE A 95 -12.860 15.984 -35.063 1.00 0.00 C ATOM 541 CD1 ILE A 95 -13.288 14.133 -32.726 1.00 0.00 C ATOM 0 H ILE A 95 -11.921 12.123 -35.458 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.289 13.611 -35.149 1.00 0.00 H new ATOM 0 HB ILE A 95 -11.415 14.516 -35.617 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.687 13.067 -33.650 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.288 14.712 -33.194 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -12.129 16.634 -34.581 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -13.013 16.310 -36.092 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -13.805 16.036 -34.522 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -13.017 13.790 -31.727 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -13.660 15.156 -32.670 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -14.065 13.486 -33.133 1.00 0.00 H new ATOM 553 N ARG A 96 -12.904 13.642 -38.112 1.00 0.00 N ATOM 554 CA ARG A 96 -13.083 14.054 -39.499 1.00 0.00 C ATOM 555 C ARG A 96 -14.332 13.415 -40.099 1.00 0.00 C ATOM 556 O ARG A 96 -15.103 14.073 -40.798 1.00 0.00 O ATOM 557 CB ARG A 96 -11.855 13.675 -40.329 1.00 0.00 C ATOM 558 CG ARG A 96 -11.189 14.861 -41.007 1.00 0.00 C ATOM 559 CD ARG A 96 -9.906 14.450 -41.714 1.00 0.00 C ATOM 560 NE ARG A 96 -9.581 15.346 -42.821 1.00 0.00 N ATOM 561 CZ ARG A 96 -9.094 16.571 -42.656 1.00 0.00 C ATOM 562 NH1 ARG A 96 -8.877 17.043 -41.436 1.00 0.00 N ATOM 563 NH2 ARG A 96 -8.822 17.325 -43.713 1.00 0.00 N ATOM 0 H ARG A 96 -12.160 12.959 -37.968 1.00 0.00 H new ATOM 0 HA ARG A 96 -13.205 15.137 -39.517 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -11.129 13.181 -39.683 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -12.150 12.951 -41.089 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.877 15.303 -41.727 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.967 15.628 -40.265 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -9.084 14.444 -40.999 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -10.009 13.432 -42.090 1.00 0.00 H new ATOM 0 HE ARG A 96 -9.736 15.013 -43.772 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -9.084 16.465 -40.621 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -8.503 17.984 -41.312 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -8.987 16.964 -44.653 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -8.448 18.265 -43.586 1.00 0.00 H new ATOM 577 N ARG A 97 -14.524 12.129 -39.822 1.00 0.00 N ATOM 578 CA ARG A 97 -15.678 11.401 -40.335 1.00 0.00 C ATOM 579 C ARG A 97 -15.669 11.373 -41.861 1.00 0.00 C ATOM 580 O ARG A 97 -16.417 12.105 -42.511 1.00 0.00 O ATOM 581 CB ARG A 97 -16.975 12.040 -39.835 1.00 0.00 C ATOM 582 CG ARG A 97 -17.597 11.310 -38.655 1.00 0.00 C ATOM 583 CD ARG A 97 -18.493 10.171 -39.114 1.00 0.00 C ATOM 584 NE ARG A 97 -18.787 9.236 -38.031 1.00 0.00 N ATOM 585 CZ ARG A 97 -19.681 9.473 -37.077 1.00 0.00 C ATOM 586 NH1 ARG A 97 -20.364 10.609 -37.073 1.00 0.00 N ATOM 587 NH2 ARG A 97 -19.892 8.573 -36.126 1.00 0.00 N ATOM 0 H ARG A 97 -13.895 11.570 -39.245 1.00 0.00 H new ATOM 0 HA ARG A 97 -15.621 10.376 -39.969 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -16.775 13.072 -39.548 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -17.694 12.070 -40.653 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -16.809 10.918 -38.012 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -18.177 12.012 -38.056 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -19.426 10.578 -39.505 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -18.010 9.637 -39.933 1.00 0.00 H new ATOM 0 HE ARG A 97 -18.278 8.352 -38.006 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -20.204 11.303 -37.803 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -21.050 10.789 -36.340 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -19.368 7.698 -36.127 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -20.578 8.756 -35.394 1.00 0.00 H new ATOM 601 N LEU A 98 -14.817 10.525 -42.427 1.00 0.00 N ATOM 602 CA LEU A 98 -14.709 10.402 -43.876 1.00 0.00 C ATOM 603 C LEU A 98 -14.051 9.081 -44.263 1.00 0.00 C ATOM 604 O LEU A 98 -13.416 9.010 -45.314 1.00 0.00 O ATOM 605 CB LEU A 98 -13.906 11.571 -44.449 1.00 0.00 C ATOM 606 CG LEU A 98 -14.529 12.291 -45.646 1.00 0.00 C ATOM 607 CD1 LEU A 98 -15.595 13.272 -45.183 1.00 0.00 C ATOM 608 CD2 LEU A 98 -13.458 13.006 -46.455 1.00 0.00 C ATOM 0 H LEU A 98 -14.191 9.913 -41.904 1.00 0.00 H new ATOM 0 HA LEU A 98 -15.716 10.422 -44.293 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -13.747 12.300 -43.655 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -12.924 11.201 -44.744 1.00 0.00 H new ATOM 0 HG LEU A 98 -15.003 11.547 -46.287 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -16.027 13.775 -46.048 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -16.377 12.734 -44.648 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -15.146 14.012 -44.520 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -13.920 13.513 -47.303 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.954 13.739 -45.825 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -12.731 12.280 -46.819 1.00 0.00 H new TER 620 LEU A 98 ATOM 621 N ARG B 61 7.261 -16.585 -0.591 1.00 0.00 N ATOM 622 CA ARG B 61 7.557 -15.402 -1.390 1.00 0.00 C ATOM 623 C ARG B 61 6.398 -15.074 -2.326 1.00 0.00 C ATOM 624 O ARG B 61 6.588 -14.460 -3.376 1.00 0.00 O ATOM 625 CB ARG B 61 8.837 -15.616 -2.201 1.00 0.00 C ATOM 626 CG ARG B 61 10.108 -15.337 -1.416 1.00 0.00 C ATOM 627 CD ARG B 61 11.328 -15.311 -2.324 1.00 0.00 C ATOM 628 NE ARG B 61 12.555 -15.028 -1.583 1.00 0.00 N ATOM 629 CZ ARG B 61 13.771 -15.284 -2.052 1.00 0.00 C ATOM 630 NH1 ARG B 61 13.923 -15.825 -3.253 1.00 0.00 N ATOM 631 NH2 ARG B 61 14.840 -14.999 -1.318 1.00 0.00 N ATOM 0 HA ARG B 61 7.701 -14.562 -0.711 1.00 0.00 H new ATOM 0 HB2 ARG B 61 8.861 -16.644 -2.562 1.00 0.00 H new ATOM 0 HB3 ARG B 61 8.813 -14.971 -3.079 1.00 0.00 H new ATOM 0 HG2 ARG B 61 10.016 -14.381 -0.900 1.00 0.00 H new ATOM 0 HG3 ARG B 61 10.239 -16.101 -0.650 1.00 0.00 H new ATOM 0 HD2 ARG B 61 11.424 -16.271 -2.831 1.00 0.00 H new ATOM 0 HD3 ARG B 61 11.189 -14.555 -3.097 1.00 0.00 H new ATOM 0 HE ARG B 61 12.473 -14.611 -0.656 1.00 0.00 H new ATOM 0 HH11 ARG B 61 13.104 -16.046 -3.820 1.00 0.00 H new ATOM 0 HH12 ARG B 61 14.858 -16.020 -3.610 1.00 0.00 H new ATOM 0 HH21 ARG B 61 14.728 -14.583 -0.393 1.00 0.00 H new ATOM 0 HH22 ARG B 61 15.774 -15.196 -1.679 1.00 0.00 H new ATOM 645 N VAL B 62 5.195 -15.489 -1.939 1.00 0.00 N ATOM 646 CA VAL B 62 4.005 -15.239 -2.743 1.00 0.00 C ATOM 647 C VAL B 62 4.203 -15.709 -4.180 1.00 0.00 C ATOM 648 O VAL B 62 4.647 -14.946 -5.037 1.00 0.00 O ATOM 649 CB VAL B 62 3.637 -13.743 -2.751 1.00 0.00 C ATOM 650 CG1 VAL B 62 2.347 -13.514 -3.525 1.00 0.00 C ATOM 651 CG2 VAL B 62 3.515 -13.218 -1.328 1.00 0.00 C ATOM 0 H VAL B 62 5.020 -16.000 -1.074 1.00 0.00 H new ATOM 0 HA VAL B 62 3.192 -15.804 -2.288 1.00 0.00 H new ATOM 0 HB VAL B 62 4.434 -13.193 -3.251 1.00 0.00 H new ATOM 0 HG11 VAL B 62 2.103 -12.452 -3.520 1.00 0.00 H new ATOM 0 HG12 VAL B 62 2.475 -13.852 -4.553 1.00 0.00 H new ATOM 0 HG13 VAL B 62 1.538 -14.074 -3.057 1.00 0.00 H new ATOM 0 HG21 VAL B 62 3.255 -12.160 -1.352 1.00 0.00 H new ATOM 0 HG22 VAL B 62 2.737 -13.771 -0.801 1.00 0.00 H new ATOM 0 HG23 VAL B 62 4.466 -13.346 -0.810 1.00 0.00 H new ATOM 661 N GLN B 63 3.871 -16.971 -4.435 1.00 0.00 N ATOM 662 CA GLN B 63 4.012 -17.543 -5.768 1.00 0.00 C ATOM 663 C GLN B 63 2.830 -17.162 -6.653 1.00 0.00 C ATOM 664 O GLN B 63 1.877 -16.530 -6.195 1.00 0.00 O ATOM 665 CB GLN B 63 4.131 -19.066 -5.683 1.00 0.00 C ATOM 666 CG GLN B 63 5.526 -19.586 -5.989 1.00 0.00 C ATOM 667 CD GLN B 63 5.742 -19.840 -7.468 1.00 0.00 C ATOM 668 OE1 GLN B 63 4.792 -19.866 -8.250 1.00 0.00 O ATOM 669 NE2 GLN B 63 6.997 -20.030 -7.858 1.00 0.00 N ATOM 0 H GLN B 63 3.503 -17.616 -3.736 1.00 0.00 H new ATOM 0 HA GLN B 63 4.921 -17.139 -6.214 1.00 0.00 H new ATOM 0 HB2 GLN B 63 3.843 -19.389 -4.683 1.00 0.00 H new ATOM 0 HB3 GLN B 63 3.424 -19.517 -6.379 1.00 0.00 H new ATOM 0 HG2 GLN B 63 6.264 -18.865 -5.636 1.00 0.00 H new ATOM 0 HG3 GLN B 63 5.694 -20.511 -5.437 1.00 0.00 H new ATOM 0 HE21 GLN B 63 7.754 -20.000 -7.175 1.00 0.00 H new ATOM 0 HE22 GLN B 63 7.204 -20.206 -8.841 1.00 0.00 H new ATOM 678 N LEU B 64 2.898 -17.548 -7.922 1.00 0.00 N ATOM 679 CA LEU B 64 1.833 -17.247 -8.872 1.00 0.00 C ATOM 680 C LEU B 64 1.795 -18.280 -9.994 1.00 0.00 C ATOM 681 O LEU B 64 2.828 -18.624 -10.568 1.00 0.00 O ATOM 682 CB LEU B 64 2.026 -15.847 -9.458 1.00 0.00 C ATOM 683 CG LEU B 64 2.020 -14.693 -8.455 1.00 0.00 C ATOM 684 CD1 LEU B 64 2.477 -13.404 -9.121 1.00 0.00 C ATOM 685 CD2 LEU B 64 0.634 -14.520 -7.850 1.00 0.00 C ATOM 0 H LEU B 64 3.680 -18.070 -8.317 1.00 0.00 H new ATOM 0 HA LEU B 64 0.883 -17.283 -8.338 1.00 0.00 H new ATOM 0 HB2 LEU B 64 2.973 -15.828 -9.998 1.00 0.00 H new ATOM 0 HB3 LEU B 64 1.238 -15.670 -10.190 1.00 0.00 H new ATOM 0 HG LEU B 64 2.718 -14.931 -7.653 1.00 0.00 H new ATOM 0 HD11 LEU B 64 2.466 -12.594 -8.392 1.00 0.00 H new ATOM 0 HD12 LEU B 64 3.489 -13.532 -9.506 1.00 0.00 H new ATOM 0 HD13 LEU B 64 1.804 -13.161 -9.943 1.00 0.00 H new ATOM 0 HD21 LEU B 64 0.648 -13.694 -7.138 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -0.084 -14.305 -8.641 1.00 0.00 H new ATOM 0 HD23 LEU B 64 0.344 -15.437 -7.336 1.00 0.00 H new ATOM 697 N ALA B 65 0.598 -18.768 -10.302 1.00 0.00 N ATOM 698 CA ALA B 65 0.426 -19.757 -11.358 1.00 0.00 C ATOM 699 C ALA B 65 -1.040 -19.879 -11.762 1.00 0.00 C ATOM 700 O ALA B 65 -1.795 -20.653 -11.172 1.00 0.00 O ATOM 701 CB ALA B 65 0.965 -21.107 -10.909 1.00 0.00 C ATOM 0 H ALA B 65 -0.267 -18.494 -9.835 1.00 0.00 H new ATOM 0 HA ALA B 65 0.990 -19.424 -12.229 1.00 0.00 H new ATOM 0 HB1 ALA B 65 0.830 -21.837 -11.708 1.00 0.00 H new ATOM 0 HB2 ALA B 65 2.026 -21.016 -10.676 1.00 0.00 H new ATOM 0 HB3 ALA B 65 0.426 -21.437 -10.021 1.00 0.00 H new ATOM 707 N HIS B 66 -1.437 -19.110 -12.770 1.00 0.00 N ATOM 708 CA HIS B 66 -2.813 -19.132 -13.253 1.00 0.00 C ATOM 709 C HIS B 66 -2.885 -18.688 -14.711 1.00 0.00 C ATOM 710 O HIS B 66 -3.911 -18.183 -15.167 1.00 0.00 O ATOM 711 CB HIS B 66 -3.694 -18.228 -12.389 1.00 0.00 C ATOM 712 CG HIS B 66 -4.977 -18.873 -11.962 1.00 0.00 C ATOM 713 ND1 HIS B 66 -6.169 -18.187 -11.870 1.00 0.00 N ATOM 714 CD2 HIS B 66 -5.250 -20.149 -11.604 1.00 0.00 C ATOM 715 CE1 HIS B 66 -7.120 -19.013 -11.472 1.00 0.00 C ATOM 716 NE2 HIS B 66 -6.589 -20.210 -11.304 1.00 0.00 N ATOM 0 H HIS B 66 -0.825 -18.464 -13.269 1.00 0.00 H new ATOM 0 HA HIS B 66 -3.179 -20.157 -13.185 1.00 0.00 H new ATOM 0 HB2 HIS B 66 -3.135 -17.929 -11.503 1.00 0.00 H new ATOM 0 HB3 HIS B 66 -3.922 -17.318 -12.944 1.00 0.00 H new ATOM 0 HD2 HIS B 66 -4.546 -20.967 -11.562 1.00 0.00 H new ATOM 0 HE1 HIS B 66 -8.156 -18.753 -11.311 1.00 0.00 H new ATOM 0 HE2 HIS B 66 -7.091 -21.044 -11.001 1.00 0.00 H new ATOM 724 N HIS B 67 -1.788 -18.878 -15.437 1.00 0.00 N ATOM 725 CA HIS B 67 -1.726 -18.497 -16.843 1.00 0.00 C ATOM 726 C HIS B 67 -0.359 -18.825 -17.436 1.00 0.00 C ATOM 727 O HIS B 67 0.617 -19.004 -16.708 1.00 0.00 O ATOM 728 CB HIS B 67 -2.020 -17.005 -17.003 1.00 0.00 C ATOM 729 CG HIS B 67 -2.993 -16.700 -18.099 1.00 0.00 C ATOM 730 ND1 HIS B 67 -2.656 -16.732 -19.436 1.00 0.00 N ATOM 731 CD2 HIS B 67 -4.302 -16.356 -18.051 1.00 0.00 C ATOM 732 CE1 HIS B 67 -3.714 -16.420 -20.162 1.00 0.00 C ATOM 733 NE2 HIS B 67 -4.726 -16.188 -19.346 1.00 0.00 N ATOM 0 H HIS B 67 -0.930 -19.294 -15.075 1.00 0.00 H new ATOM 0 HA HIS B 67 -2.482 -19.068 -17.382 1.00 0.00 H new ATOM 0 HB2 HIS B 67 -2.412 -16.618 -16.063 1.00 0.00 H new ATOM 0 HB3 HIS B 67 -1.086 -16.478 -17.200 1.00 0.00 H new ATOM 0 HD2 HIS B 67 -4.901 -16.236 -17.160 1.00 0.00 H new ATOM 0 HE1 HIS B 67 -3.746 -16.364 -21.240 1.00 0.00 H new ATOM 0 HE2 HIS B 67 -5.670 -15.926 -19.631 1.00 0.00 H new ATOM 741 N PHE B 68 -0.297 -18.902 -18.761 1.00 0.00 N ATOM 742 CA PHE B 68 0.950 -19.210 -19.451 1.00 0.00 C ATOM 743 C PHE B 68 2.028 -18.185 -19.109 1.00 0.00 C ATOM 744 O PHE B 68 1.743 -17.139 -18.527 1.00 0.00 O ATOM 745 CB PHE B 68 0.725 -19.244 -20.964 1.00 0.00 C ATOM 746 CG PHE B 68 1.362 -20.426 -21.638 1.00 0.00 C ATOM 747 CD1 PHE B 68 0.939 -21.714 -21.354 1.00 0.00 C ATOM 748 CD2 PHE B 68 2.385 -20.248 -22.556 1.00 0.00 C ATOM 749 CE1 PHE B 68 1.523 -22.803 -21.972 1.00 0.00 C ATOM 750 CE2 PHE B 68 2.972 -21.334 -23.178 1.00 0.00 C ATOM 751 CZ PHE B 68 2.541 -22.613 -22.885 1.00 0.00 C ATOM 0 H PHE B 68 -1.096 -18.755 -19.378 1.00 0.00 H new ATOM 0 HA PHE B 68 1.288 -20.192 -19.118 1.00 0.00 H new ATOM 0 HB2 PHE B 68 -0.346 -19.256 -21.164 1.00 0.00 H new ATOM 0 HB3 PHE B 68 1.121 -18.328 -21.403 1.00 0.00 H new ATOM 0 HD1 PHE B 68 0.143 -21.869 -20.641 1.00 0.00 H new ATOM 0 HD2 PHE B 68 2.727 -19.250 -22.788 1.00 0.00 H new ATOM 0 HE1 PHE B 68 1.183 -23.802 -21.741 1.00 0.00 H new ATOM 0 HE2 PHE B 68 3.767 -21.182 -23.893 1.00 0.00 H new ATOM 0 HZ PHE B 68 2.999 -23.463 -23.369 1.00 0.00 H new ATOM 761 N SER B 69 3.268 -18.495 -19.476 1.00 0.00 N ATOM 762 CA SER B 69 4.390 -17.605 -19.204 1.00 0.00 C ATOM 763 C SER B 69 4.379 -16.412 -20.155 1.00 0.00 C ATOM 764 O SER B 69 4.228 -16.572 -21.366 1.00 0.00 O ATOM 765 CB SER B 69 5.713 -18.363 -19.334 1.00 0.00 C ATOM 766 OG SER B 69 5.525 -19.610 -19.981 1.00 0.00 O ATOM 0 H SER B 69 3.520 -19.355 -19.962 1.00 0.00 H new ATOM 0 HA SER B 69 4.290 -17.236 -18.183 1.00 0.00 H new ATOM 0 HB2 SER B 69 6.427 -17.761 -19.897 1.00 0.00 H new ATOM 0 HB3 SER B 69 6.142 -18.524 -18.345 1.00 0.00 H new ATOM 0 HG SER B 69 6.385 -20.074 -20.053 1.00 0.00 H new ATOM 772 N GLU B 70 4.541 -15.216 -19.597 1.00 0.00 N ATOM 773 CA GLU B 70 4.549 -13.996 -20.395 1.00 0.00 C ATOM 774 C GLU B 70 4.903 -12.786 -19.535 1.00 0.00 C ATOM 775 O GLU B 70 4.091 -11.885 -19.323 1.00 0.00 O ATOM 776 CB GLU B 70 3.185 -13.784 -21.056 1.00 0.00 C ATOM 777 CG GLU B 70 2.014 -14.203 -20.184 1.00 0.00 C ATOM 778 CD GLU B 70 0.679 -13.753 -20.745 1.00 0.00 C ATOM 779 OE1 GLU B 70 0.230 -14.341 -21.752 1.00 0.00 O ATOM 780 OE2 GLU B 70 0.083 -12.814 -20.178 1.00 0.00 O ATOM 0 H GLU B 70 4.668 -15.066 -18.596 1.00 0.00 H new ATOM 0 HA GLU B 70 5.308 -14.104 -21.170 1.00 0.00 H new ATOM 0 HB2 GLU B 70 3.076 -12.731 -21.315 1.00 0.00 H new ATOM 0 HB3 GLU B 70 3.152 -14.346 -21.989 1.00 0.00 H new ATOM 0 HG2 GLU B 70 2.013 -15.288 -20.080 1.00 0.00 H new ATOM 0 HG3 GLU B 70 2.143 -13.787 -19.185 1.00 0.00 H new ATOM 787 N PRO B 71 6.144 -12.764 -19.027 1.00 0.00 N ATOM 788 CA PRO B 71 6.635 -11.671 -18.183 1.00 0.00 C ATOM 789 C PRO B 71 6.826 -10.376 -18.964 1.00 0.00 C ATOM 790 O PRO B 71 6.371 -9.314 -18.542 1.00 0.00 O ATOM 791 CB PRO B 71 7.981 -12.193 -17.674 1.00 0.00 C ATOM 792 CG PRO B 71 8.421 -13.175 -18.705 1.00 0.00 C ATOM 793 CD PRO B 71 7.164 -13.805 -19.240 1.00 0.00 C ATOM 0 HA PRO B 71 5.931 -11.422 -17.389 1.00 0.00 H new ATOM 0 HB2 PRO B 71 8.703 -11.384 -17.564 1.00 0.00 H new ATOM 0 HB3 PRO B 71 7.879 -12.664 -16.696 1.00 0.00 H new ATOM 0 HG2 PRO B 71 8.979 -12.682 -19.501 1.00 0.00 H new ATOM 0 HG3 PRO B 71 9.080 -13.927 -18.272 1.00 0.00 H new ATOM 0 HD2 PRO B 71 7.261 -14.063 -20.295 1.00 0.00 H new ATOM 0 HD3 PRO B 71 6.917 -14.724 -18.709 1.00 0.00 H new ATOM 801 N GLU B 72 7.503 -10.472 -20.104 1.00 0.00 N ATOM 802 CA GLU B 72 7.754 -9.306 -20.943 1.00 0.00 C ATOM 803 C GLU B 72 6.492 -8.895 -21.695 1.00 0.00 C ATOM 804 O GLU B 72 6.105 -7.726 -21.687 1.00 0.00 O ATOM 805 CB GLU B 72 8.880 -9.599 -21.937 1.00 0.00 C ATOM 806 CG GLU B 72 10.266 -9.288 -21.395 1.00 0.00 C ATOM 807 CD GLU B 72 10.568 -10.028 -20.107 1.00 0.00 C ATOM 808 OE1 GLU B 72 10.905 -11.228 -20.178 1.00 0.00 O ATOM 809 OE2 GLU B 72 10.467 -9.408 -19.028 1.00 0.00 O ATOM 0 H GLU B 72 7.887 -11.344 -20.467 1.00 0.00 H new ATOM 0 HA GLU B 72 8.055 -8.482 -20.296 1.00 0.00 H new ATOM 0 HB2 GLU B 72 8.838 -10.650 -22.222 1.00 0.00 H new ATOM 0 HB3 GLU B 72 8.714 -9.016 -22.843 1.00 0.00 H new ATOM 0 HG2 GLU B 72 11.013 -9.551 -22.144 1.00 0.00 H new ATOM 0 HG3 GLU B 72 10.352 -8.215 -21.222 1.00 0.00 H new ATOM 816 N ILE B 73 5.855 -9.864 -22.344 1.00 0.00 N ATOM 817 CA ILE B 73 4.636 -9.603 -23.101 1.00 0.00 C ATOM 818 C ILE B 73 3.638 -8.799 -22.275 1.00 0.00 C ATOM 819 O ILE B 73 3.167 -7.745 -22.703 1.00 0.00 O ATOM 820 CB ILE B 73 3.968 -10.912 -23.561 1.00 0.00 C ATOM 821 CG1 ILE B 73 4.934 -11.727 -24.424 1.00 0.00 C ATOM 822 CG2 ILE B 73 2.688 -10.613 -24.327 1.00 0.00 C ATOM 823 CD1 ILE B 73 5.414 -10.990 -25.655 1.00 0.00 C ATOM 0 H ILE B 73 6.162 -10.836 -22.361 1.00 0.00 H new ATOM 0 HA ILE B 73 4.927 -9.025 -23.978 1.00 0.00 H new ATOM 0 HB ILE B 73 3.712 -11.501 -22.680 1.00 0.00 H new ATOM 0 HG12 ILE B 73 5.797 -12.010 -23.821 1.00 0.00 H new ATOM 0 HG13 ILE B 73 4.443 -12.650 -24.732 1.00 0.00 H new ATOM 0 HG21 ILE B 73 2.228 -11.548 -24.645 1.00 0.00 H new ATOM 0 HG22 ILE B 73 1.997 -10.069 -23.683 1.00 0.00 H new ATOM 0 HG23 ILE B 73 2.921 -10.007 -25.202 1.00 0.00 H new ATOM 0 HD11 ILE B 73 6.095 -11.628 -26.219 1.00 0.00 H new ATOM 0 HD12 ILE B 73 4.559 -10.730 -26.280 1.00 0.00 H new ATOM 0 HD13 ILE B 73 5.934 -10.080 -25.355 1.00 0.00 H new ATOM 835 N THR B 74 3.320 -9.303 -21.087 1.00 0.00 N ATOM 836 CA THR B 74 2.378 -8.632 -20.199 1.00 0.00 C ATOM 837 C THR B 74 2.720 -7.154 -20.051 1.00 0.00 C ATOM 838 O THR B 74 1.850 -6.290 -20.165 1.00 0.00 O ATOM 839 CB THR B 74 2.357 -9.285 -18.804 1.00 0.00 C ATOM 840 OG1 THR B 74 1.873 -10.629 -18.900 1.00 0.00 O ATOM 841 CG2 THR B 74 1.481 -8.491 -17.848 1.00 0.00 C ATOM 0 H THR B 74 3.701 -10.174 -20.717 1.00 0.00 H new ATOM 0 HA THR B 74 1.392 -8.731 -20.652 1.00 0.00 H new ATOM 0 HB THR B 74 3.375 -9.293 -18.415 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.620 -11.232 -19.098 1.00 0.00 H new ATOM 0 HG21 THR B 74 1.482 -8.971 -16.870 1.00 0.00 H new ATOM 0 HG22 THR B 74 1.870 -7.477 -17.755 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.462 -8.454 -18.233 1.00 0.00 H new ATOM 849 N LEU B 75 3.993 -6.869 -19.797 1.00 0.00 N ATOM 850 CA LEU B 75 4.451 -5.493 -19.634 1.00 0.00 C ATOM 851 C LEU B 75 4.097 -4.653 -20.856 1.00 0.00 C ATOM 852 O LEU B 75 3.546 -3.559 -20.732 1.00 0.00 O ATOM 853 CB LEU B 75 5.962 -5.462 -19.399 1.00 0.00 C ATOM 854 CG LEU B 75 6.450 -6.081 -18.089 1.00 0.00 C ATOM 855 CD1 LEU B 75 7.970 -6.126 -18.053 1.00 0.00 C ATOM 856 CD2 LEU B 75 5.910 -5.302 -16.898 1.00 0.00 C ATOM 0 H LEU B 75 4.726 -7.572 -19.700 1.00 0.00 H new ATOM 0 HA LEU B 75 3.946 -5.068 -18.766 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.449 -5.979 -20.226 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.294 -4.424 -19.433 1.00 0.00 H new ATOM 0 HG LEU B 75 6.075 -7.103 -18.031 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.299 -6.570 -17.113 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.336 -6.727 -18.886 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.366 -5.114 -18.134 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.267 -5.756 -15.974 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.255 -4.270 -16.952 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.820 -5.322 -16.914 1.00 0.00 H new ATOM 868 N ILE B 76 4.416 -5.173 -22.037 1.00 0.00 N ATOM 869 CA ILE B 76 4.129 -4.471 -23.282 1.00 0.00 C ATOM 870 C ILE B 76 2.644 -4.142 -23.398 1.00 0.00 C ATOM 871 O ILE B 76 2.273 -3.023 -23.752 1.00 0.00 O ATOM 872 CB ILE B 76 4.556 -5.302 -24.507 1.00 0.00 C ATOM 873 CG1 ILE B 76 6.019 -5.729 -24.376 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.344 -4.506 -25.786 1.00 0.00 C ATOM 875 CD1 ILE B 76 6.991 -4.570 -24.394 1.00 0.00 C ATOM 0 H ILE B 76 4.873 -6.077 -22.158 1.00 0.00 H new ATOM 0 HA ILE B 76 4.703 -3.545 -23.262 1.00 0.00 H new ATOM 0 HB ILE B 76 3.938 -6.199 -24.553 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.145 -6.284 -23.446 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.264 -6.411 -25.190 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.650 -5.106 -26.643 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.290 -4.247 -25.883 1.00 0.00 H new ATOM 0 HG23 ILE B 76 4.940 -3.594 -25.750 1.00 0.00 H new ATOM 0 HD11 ILE B 76 8.009 -4.947 -24.297 1.00 0.00 H new ATOM 0 HD12 ILE B 76 6.893 -4.028 -25.334 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.772 -3.899 -23.564 1.00 0.00 H new ATOM 887 N ILE B 77 1.801 -5.123 -23.096 1.00 0.00 N ATOM 888 CA ILE B 77 0.357 -4.936 -23.163 1.00 0.00 C ATOM 889 C ILE B 77 -0.110 -3.894 -22.153 1.00 0.00 C ATOM 890 O ILE B 77 -0.844 -2.967 -22.495 1.00 0.00 O ATOM 891 CB ILE B 77 -0.394 -6.256 -22.908 1.00 0.00 C ATOM 892 CG1 ILE B 77 -0.072 -7.273 -24.005 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.893 -6.007 -22.833 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.672 -6.922 -25.348 1.00 0.00 C ATOM 0 H ILE B 77 2.093 -6.055 -22.803 1.00 0.00 H new ATOM 0 HA ILE B 77 0.130 -4.588 -24.171 1.00 0.00 H new ATOM 0 HB ILE B 77 -0.065 -6.664 -21.953 1.00 0.00 H new ATOM 0 HG12 ILE B 77 1.010 -7.353 -24.109 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -0.436 -8.254 -23.698 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.410 -6.950 -22.652 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -2.106 -5.314 -22.019 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.238 -5.578 -23.774 1.00 0.00 H new ATOM 0 HD11 ILE B 77 -0.403 -7.686 -26.077 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -1.757 -6.871 -25.259 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -0.289 -5.956 -25.676 1.00 0.00 H new ATOM 906 N PHE B 78 0.321 -4.053 -20.906 1.00 0.00 N ATOM 907 CA PHE B 78 -0.053 -3.125 -19.844 1.00 0.00 C ATOM 908 C PHE B 78 0.293 -1.690 -20.229 1.00 0.00 C ATOM 909 O PHE B 78 -0.532 -0.786 -20.105 1.00 0.00 O ATOM 910 CB PHE B 78 0.654 -3.500 -18.539 1.00 0.00 C ATOM 911 CG PHE B 78 0.519 -2.459 -17.465 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.561 -2.475 -16.597 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.473 -1.464 -17.322 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.687 -1.518 -15.608 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.352 -0.504 -16.335 1.00 0.00 C ATOM 916 CZ PHE B 78 0.271 -0.532 -15.476 1.00 0.00 C ATOM 0 H PHE B 78 0.929 -4.815 -20.606 1.00 0.00 H new ATOM 0 HA PHE B 78 -1.131 -3.193 -19.698 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.248 -4.443 -18.173 1.00 0.00 H new ATOM 0 HB3 PHE B 78 1.712 -3.666 -18.743 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -1.313 -3.244 -16.694 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.321 -1.438 -17.990 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.534 -1.541 -14.939 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.102 0.267 -16.236 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.175 0.216 -14.703 1.00 0.00 H new ATOM 926 N GLY B 79 1.522 -1.489 -20.697 1.00 0.00 N ATOM 927 CA GLY B 79 1.956 -0.162 -21.092 1.00 0.00 C ATOM 928 C GLY B 79 1.048 0.459 -22.135 1.00 0.00 C ATOM 929 O GLY B 79 0.535 1.562 -21.945 1.00 0.00 O ATOM 0 H GLY B 79 2.223 -2.221 -20.809 1.00 0.00 H new ATOM 0 HA2 GLY B 79 1.989 0.482 -20.214 1.00 0.00 H new ATOM 0 HA3 GLY B 79 2.971 -0.217 -21.485 1.00 0.00 H new ATOM 933 N VAL B 80 0.849 -0.249 -23.242 1.00 0.00 N ATOM 934 CA VAL B 80 -0.003 0.239 -24.320 1.00 0.00 C ATOM 935 C VAL B 80 -1.436 0.436 -23.840 1.00 0.00 C ATOM 936 O VAL B 80 -2.132 1.347 -24.289 1.00 0.00 O ATOM 937 CB VAL B 80 -0.002 -0.729 -25.518 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.828 -0.162 -26.663 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.422 -1.017 -25.969 1.00 0.00 C ATOM 0 H VAL B 80 1.267 -1.163 -23.416 1.00 0.00 H new ATOM 0 HA VAL B 80 0.406 1.198 -24.638 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.456 -1.669 -25.204 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.816 -0.859 -27.501 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.855 -0.012 -26.331 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.405 0.792 -26.979 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.404 -1.703 -26.816 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.905 -0.086 -26.266 1.00 0.00 H new ATOM 0 HG23 VAL B 80 1.979 -1.469 -25.148 1.00 0.00 H new ATOM 949 N MET B 81 -1.872 -0.423 -22.925 1.00 0.00 N ATOM 950 CA MET B 81 -3.223 -0.342 -22.383 1.00 0.00 C ATOM 951 C MET B 81 -3.411 0.942 -21.581 1.00 0.00 C ATOM 952 O MET B 81 -4.403 1.650 -21.749 1.00 0.00 O ATOM 953 CB MET B 81 -3.515 -1.556 -21.500 1.00 0.00 C ATOM 954 CG MET B 81 -3.820 -2.821 -22.287 1.00 0.00 C ATOM 955 SD MET B 81 -5.480 -2.816 -22.992 1.00 0.00 S ATOM 956 CE MET B 81 -5.225 -3.808 -24.462 1.00 0.00 C ATOM 0 H MET B 81 -1.309 -1.183 -22.543 1.00 0.00 H new ATOM 0 HA MET B 81 -3.923 -0.333 -23.219 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.657 -1.739 -20.852 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.361 -1.328 -20.852 1.00 0.00 H new ATOM 0 HG2 MET B 81 -3.089 -2.931 -23.088 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.709 -3.686 -21.634 1.00 0.00 H new ATOM 0 HE1 MET B 81 -6.164 -3.898 -25.008 1.00 0.00 H new ATOM 0 HE2 MET B 81 -4.480 -3.331 -25.098 1.00 0.00 H new ATOM 0 HE3 MET B 81 -4.876 -4.800 -24.175 1.00 0.00 H new ATOM 966 N ALA B 82 -2.452 1.235 -20.708 1.00 0.00 N ATOM 967 CA ALA B 82 -2.511 2.434 -19.882 1.00 0.00 C ATOM 968 C ALA B 82 -2.410 3.694 -20.735 1.00 0.00 C ATOM 969 O ALA B 82 -3.164 4.647 -20.543 1.00 0.00 O ATOM 970 CB ALA B 82 -1.404 2.411 -18.838 1.00 0.00 C ATOM 0 H ALA B 82 -1.625 0.658 -20.555 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.475 2.447 -19.373 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.460 3.313 -18.228 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.523 1.534 -18.201 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.435 2.369 -19.336 1.00 0.00 H new ATOM 976 N GLY B 83 -1.472 3.692 -21.677 1.00 0.00 N ATOM 977 CA GLY B 83 -1.290 4.841 -22.545 1.00 0.00 C ATOM 978 C GLY B 83 -2.511 5.124 -23.397 1.00 0.00 C ATOM 979 O GLY B 83 -3.013 6.248 -23.421 1.00 0.00 O ATOM 0 H GLY B 83 -0.835 2.915 -21.855 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.063 5.718 -21.939 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.430 4.670 -23.193 1.00 0.00 H new ATOM 983 N VAL B 84 -2.990 4.103 -24.100 1.00 0.00 N ATOM 984 CA VAL B 84 -4.160 4.247 -24.958 1.00 0.00 C ATOM 985 C VAL B 84 -5.335 4.841 -24.189 1.00 0.00 C ATOM 986 O VAL B 84 -5.871 5.884 -24.564 1.00 0.00 O ATOM 987 CB VAL B 84 -4.585 2.894 -25.559 1.00 0.00 C ATOM 988 CG1 VAL B 84 -5.952 3.008 -26.217 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.545 2.404 -26.555 1.00 0.00 C ATOM 0 H VAL B 84 -2.586 3.167 -24.092 1.00 0.00 H new ATOM 0 HA VAL B 84 -3.879 4.923 -25.766 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.656 2.164 -24.753 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.236 2.043 -26.636 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.689 3.312 -25.474 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -5.912 3.751 -27.013 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.861 1.447 -26.970 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.441 3.132 -27.360 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.587 2.282 -26.050 1.00 0.00 H new ATOM 999 N ILE B 85 -5.731 4.170 -23.113 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.842 4.632 -22.290 1.00 0.00 C ATOM 1001 C ILE B 85 -6.608 6.059 -21.803 1.00 0.00 C ATOM 1002 O ILE B 85 -7.521 6.883 -21.805 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.060 3.715 -21.072 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.407 2.297 -21.530 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.159 4.273 -20.180 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -8.724 2.206 -22.269 1.00 0.00 C ATOM 0 H ILE B 85 -5.299 3.304 -22.790 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.733 4.606 -22.918 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.136 3.675 -20.495 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -6.611 1.928 -22.176 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -7.442 1.641 -20.660 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.302 3.614 -19.323 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.875 5.266 -19.831 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.088 4.339 -20.746 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -8.905 1.172 -22.564 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -9.530 2.545 -21.618 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -8.687 2.835 -23.158 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.378 6.343 -21.388 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.046 7.670 -20.905 1.00 0.00 C ATOM 1020 C GLY B 86 -5.315 8.747 -21.937 1.00 0.00 C ATOM 1021 O GLY B 86 -5.982 9.742 -21.650 1.00 0.00 O ATOM 0 H GLY B 86 -4.605 5.677 -21.378 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.624 7.881 -20.005 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -3.994 7.697 -20.622 1.00 0.00 H new ATOM 1025 N THR B 87 -4.795 8.550 -23.145 1.00 0.00 N ATOM 1026 CA THR B 87 -4.981 9.513 -24.223 1.00 0.00 C ATOM 1027 C THR B 87 -6.461 9.753 -24.497 1.00 0.00 C ATOM 1028 O THR B 87 -6.903 10.897 -24.611 1.00 0.00 O ATOM 1029 CB THR B 87 -4.300 9.041 -25.521 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.065 8.383 -25.216 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.037 10.215 -26.453 1.00 0.00 C ATOM 0 H THR B 87 -4.242 7.732 -23.401 1.00 0.00 H new ATOM 0 HA THR B 87 -4.519 10.445 -23.897 1.00 0.00 H new ATOM 0 HB THR B 87 -4.970 8.342 -26.022 1.00 0.00 H new ATOM 0 HG1 THR B 87 -2.630 8.837 -24.464 1.00 0.00 H new ATOM 0 HG21 THR B 87 -3.556 9.857 -27.363 1.00 0.00 H new ATOM 0 HG22 THR B 87 -4.981 10.696 -26.708 1.00 0.00 H new ATOM 0 HG23 THR B 87 -3.385 10.934 -25.957 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.222 8.669 -24.601 1.00 0.00 N ATOM 1040 CA ILE B 88 -8.653 8.763 -24.860 1.00 0.00 C ATOM 1041 C ILE B 88 -9.332 9.696 -23.864 1.00 0.00 C ATOM 1042 O ILE B 88 -10.068 10.605 -24.250 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.329 7.381 -24.794 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -8.702 6.433 -25.819 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -10.826 7.511 -25.032 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -8.924 4.970 -25.504 1.00 0.00 C ATOM 0 H ILE B 88 -6.871 7.715 -24.510 1.00 0.00 H new ATOM 0 HA ILE B 88 -8.765 9.166 -25.867 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.174 6.965 -23.799 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -9.115 6.651 -26.804 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -7.631 6.626 -25.873 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.289 6.526 -24.982 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.261 8.156 -24.268 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.002 7.945 -26.016 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -8.453 4.357 -26.272 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -8.486 4.736 -24.534 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -9.994 4.761 -25.479 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.078 9.467 -22.580 1.00 0.00 N ATOM 1059 CA LEU B 89 -9.663 10.289 -21.526 1.00 0.00 C ATOM 1060 C LEU B 89 -9.322 11.762 -21.731 1.00 0.00 C ATOM 1061 O LEU B 89 -10.207 12.618 -21.756 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.168 9.825 -20.155 1.00 0.00 C ATOM 1063 CG LEU B 89 -9.791 8.536 -19.618 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -8.850 7.859 -18.633 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.133 8.826 -18.963 1.00 0.00 C ATOM 0 H LEU B 89 -8.471 8.719 -22.244 1.00 0.00 H new ATOM 0 HA LEU B 89 -10.746 10.176 -21.571 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.088 9.688 -20.208 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.353 10.622 -19.435 1.00 0.00 H new ATOM 0 HG LEU B 89 -9.957 7.858 -20.455 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.310 6.943 -18.261 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -7.912 7.617 -19.133 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -8.653 8.531 -17.798 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.562 7.898 -18.586 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -10.991 9.522 -18.136 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -11.808 9.267 -19.697 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.033 12.049 -21.878 1.00 0.00 N ATOM 1078 CA LEU B 90 -7.574 13.419 -22.084 1.00 0.00 C ATOM 1079 C LEU B 90 -8.233 14.036 -23.313 1.00 0.00 C ATOM 1080 O LEU B 90 -8.817 15.117 -23.239 1.00 0.00 O ATOM 1081 CB LEU B 90 -6.052 13.449 -22.238 1.00 0.00 C ATOM 1082 CG LEU B 90 -5.249 12.832 -21.092 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -3.931 12.272 -21.605 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -5.004 13.860 -19.997 1.00 0.00 C ATOM 0 H LEU B 90 -7.288 11.353 -21.858 1.00 0.00 H new ATOM 0 HA LEU B 90 -7.857 14.006 -21.210 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -5.790 12.929 -23.160 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -5.739 14.486 -22.357 1.00 0.00 H new ATOM 0 HG LEU B 90 -5.829 12.012 -20.668 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -3.373 11.837 -20.776 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -4.128 11.503 -22.352 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -3.346 13.074 -22.055 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -4.431 13.403 -19.190 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -4.446 14.702 -20.407 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -5.959 14.213 -19.609 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.137 13.340 -24.441 1.00 0.00 N ATOM 1097 CA ILE B 91 -8.727 13.818 -25.686 1.00 0.00 C ATOM 1098 C ILE B 91 -10.218 14.088 -25.519 1.00 0.00 C ATOM 1099 O ILE B 91 -10.715 15.148 -25.900 1.00 0.00 O ATOM 1100 CB ILE B 91 -8.524 12.808 -26.830 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -7.205 13.082 -27.554 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -9.692 12.868 -27.803 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -5.998 13.052 -26.643 1.00 0.00 C ATOM 0 H ILE B 91 -7.657 12.444 -24.519 1.00 0.00 H new ATOM 0 HA ILE B 91 -8.218 14.748 -25.940 1.00 0.00 H new ATOM 0 HB ILE B 91 -8.481 11.805 -26.406 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -7.073 12.342 -28.343 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -7.261 14.057 -28.037 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -9.534 12.148 -28.606 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -10.616 12.628 -27.277 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -9.764 13.871 -28.224 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -5.098 13.254 -27.224 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -6.108 13.811 -25.868 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -5.917 12.069 -26.179 1.00 0.00 H new ATOM 1115 N SER B 92 -10.928 13.122 -24.944 1.00 0.00 N ATOM 1116 CA SER B 92 -12.364 13.254 -24.728 1.00 0.00 C ATOM 1117 C SER B 92 -12.680 14.517 -23.934 1.00 0.00 C ATOM 1118 O SER B 92 -13.735 15.127 -24.110 1.00 0.00 O ATOM 1119 CB SER B 92 -12.905 12.026 -23.992 1.00 0.00 C ATOM 1120 OG SER B 92 -12.662 12.119 -22.599 1.00 0.00 O ATOM 0 H SER B 92 -10.532 12.240 -24.620 1.00 0.00 H new ATOM 0 HA SER B 92 -12.848 13.328 -25.702 1.00 0.00 H new ATOM 0 HB2 SER B 92 -13.976 11.933 -24.172 1.00 0.00 H new ATOM 0 HB3 SER B 92 -12.435 11.125 -24.387 1.00 0.00 H new ATOM 0 HG SER B 92 -11.715 12.321 -22.445 1.00 0.00 H new ATOM 1126 N TYR B 93 -11.759 14.904 -23.058 1.00 0.00 N ATOM 1127 CA TYR B 93 -11.939 16.093 -22.234 1.00 0.00 C ATOM 1128 C TYR B 93 -11.799 17.362 -23.071 1.00 0.00 C ATOM 1129 O TYR B 93 -12.499 18.348 -22.845 1.00 0.00 O ATOM 1130 CB TYR B 93 -10.921 16.107 -21.093 1.00 0.00 C ATOM 1131 CG TYR B 93 -11.478 15.606 -19.779 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -12.631 16.158 -19.235 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -10.851 14.581 -19.082 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -13.143 15.703 -18.035 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -11.356 14.119 -17.882 1.00 0.00 C ATOM 1136 CZ TYR B 93 -12.503 14.684 -17.363 1.00 0.00 C ATOM 1137 OH TYR B 93 -13.009 14.227 -16.167 1.00 0.00 O ATOM 0 H TYR B 93 -10.880 14.411 -22.900 1.00 0.00 H new ATOM 0 HA TYR B 93 -12.945 16.065 -21.815 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -10.065 15.493 -21.373 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -10.553 17.124 -20.958 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -13.136 16.956 -19.759 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -9.953 14.137 -19.485 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -14.040 16.144 -17.626 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -10.856 13.321 -17.353 1.00 0.00 H new ATOM 0 HH TYR B 93 -12.440 13.506 -15.825 1.00 0.00 H new ATOM 1147 N GLY B 94 -10.889 17.327 -24.039 1.00 0.00 N ATOM 1148 CA GLY B 94 -10.673 18.479 -24.896 1.00 0.00 C ATOM 1149 C GLY B 94 -11.880 18.796 -25.756 1.00 0.00 C ATOM 1150 O GLY B 94 -12.191 19.963 -25.994 1.00 0.00 O ATOM 0 H GLY B 94 -10.297 16.522 -24.246 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -10.432 19.346 -24.281 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -9.812 18.294 -25.538 1.00 0.00 H new ATOM 1154 N ILE B 95 -12.560 17.755 -26.225 1.00 0.00 N ATOM 1155 CA ILE B 95 -13.739 17.929 -27.065 1.00 0.00 C ATOM 1156 C ILE B 95 -14.872 18.595 -26.290 1.00 0.00 C ATOM 1157 O ILE B 95 -15.676 19.333 -26.860 1.00 0.00 O ATOM 1158 CB ILE B 95 -14.236 16.582 -27.623 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -13.139 15.913 -28.453 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -15.490 16.787 -28.459 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -13.392 14.446 -28.720 1.00 0.00 C ATOM 0 H ILE B 95 -12.315 16.783 -26.038 1.00 0.00 H new ATOM 0 HA ILE B 95 -13.444 18.570 -27.896 1.00 0.00 H new ATOM 0 HB ILE B 95 -14.483 15.927 -26.787 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -13.045 16.436 -29.405 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -12.186 16.020 -27.935 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -15.830 15.827 -28.847 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -16.272 17.226 -27.840 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -15.268 17.456 -29.290 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -12.574 14.038 -29.313 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -13.456 13.910 -27.773 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -14.328 14.332 -29.266 1.00 0.00 H new ATOM 1173 N ARG B 96 -14.928 18.330 -24.989 1.00 0.00 N ATOM 1174 CA ARG B 96 -15.961 18.904 -24.136 1.00 0.00 C ATOM 1175 C ARG B 96 -15.677 20.376 -23.854 1.00 0.00 C ATOM 1176 O ARG B 96 -16.582 21.210 -23.885 1.00 0.00 O ATOM 1177 CB ARG B 96 -16.054 18.130 -22.820 1.00 0.00 C ATOM 1178 CG ARG B 96 -17.470 18.019 -22.278 1.00 0.00 C ATOM 1179 CD ARG B 96 -17.915 19.314 -21.616 1.00 0.00 C ATOM 1180 NE ARG B 96 -18.913 19.082 -20.575 1.00 0.00 N ATOM 1181 CZ ARG B 96 -19.739 20.021 -20.127 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -19.687 21.248 -20.626 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -20.620 19.733 -19.177 1.00 0.00 N ATOM 0 H ARG B 96 -14.270 17.721 -24.503 1.00 0.00 H new ATOM 0 HA ARG B 96 -16.913 18.830 -24.661 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -15.651 17.128 -22.968 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -15.426 18.619 -22.075 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -18.153 17.770 -23.090 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -17.522 17.203 -21.557 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -17.050 19.816 -21.183 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -18.327 19.984 -22.371 1.00 0.00 H new ATOM 0 HE ARG B 96 -18.979 18.148 -20.170 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -19.011 21.473 -21.356 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -20.323 21.967 -20.280 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -20.663 18.790 -18.790 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -21.254 20.455 -18.834 1.00 0.00 H new ATOM 1197 N ARG B 97 -14.415 20.688 -23.578 1.00 0.00 N ATOM 1198 CA ARG B 97 -14.012 22.058 -23.288 1.00 0.00 C ATOM 1199 C ARG B 97 -14.870 22.653 -22.175 1.00 0.00 C ATOM 1200 O ARG B 97 -15.082 23.866 -22.121 1.00 0.00 O ATOM 1201 CB ARG B 97 -14.121 22.921 -24.547 1.00 0.00 C ATOM 1202 CG ARG B 97 -13.385 24.247 -24.441 1.00 0.00 C ATOM 1203 CD ARG B 97 -12.840 24.691 -25.790 1.00 0.00 C ATOM 1204 NE ARG B 97 -12.503 26.112 -25.804 1.00 0.00 N ATOM 1205 CZ ARG B 97 -13.409 27.082 -25.771 1.00 0.00 C ATOM 1206 NH1 ARG B 97 -14.701 26.786 -25.724 1.00 0.00 N ATOM 1207 NH2 ARG B 97 -13.024 28.352 -25.787 1.00 0.00 N ATOM 0 H ARG B 97 -13.654 20.010 -23.549 1.00 0.00 H new ATOM 0 HA ARG B 97 -12.974 22.042 -22.955 1.00 0.00 H new ATOM 0 HB2 ARG B 97 -13.726 22.362 -25.396 1.00 0.00 H new ATOM 0 HB3 ARG B 97 -15.173 23.115 -24.755 1.00 0.00 H new ATOM 0 HG2 ARG B 97 -14.060 25.009 -24.051 1.00 0.00 H new ATOM 0 HG3 ARG B 97 -12.565 24.153 -23.729 1.00 0.00 H new ATOM 0 HD2 ARG B 97 -11.953 24.106 -26.033 1.00 0.00 H new ATOM 0 HD3 ARG B 97 -13.579 24.486 -26.565 1.00 0.00 H new ATOM 0 HE ARG B 97 -11.518 26.374 -25.841 1.00 0.00 H new ATOM 0 HH11 ARG B 97 -15.001 25.811 -25.713 1.00 0.00 H new ATOM 0 HH12 ARG B 97 -15.395 27.533 -25.699 1.00 0.00 H new ATOM 0 HH21 ARG B 97 -12.031 28.584 -25.825 1.00 0.00 H new ATOM 0 HH22 ARG B 97 -13.721 29.096 -25.762 1.00 0.00 H new ATOM 1221 N LEU B 98 -15.362 21.793 -21.290 1.00 0.00 N ATOM 1222 CA LEU B 98 -16.198 22.233 -20.179 1.00 0.00 C ATOM 1223 C LEU B 98 -17.340 23.115 -20.672 1.00 0.00 C ATOM 1224 O LEU B 98 -17.614 23.182 -21.870 1.00 0.00 O ATOM 1225 CB LEU B 98 -15.357 22.994 -19.153 1.00 0.00 C ATOM 1226 CG LEU B 98 -16.093 23.467 -17.899 1.00 0.00 C ATOM 1227 CD1 LEU B 98 -15.156 23.479 -16.701 1.00 0.00 C ATOM 1228 CD2 LEU B 98 -16.693 24.848 -18.122 1.00 0.00 C ATOM 0 H LEU B 98 -15.196 20.787 -21.320 1.00 0.00 H new ATOM 0 HA LEU B 98 -16.625 21.349 -19.706 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -14.530 22.354 -18.845 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -14.921 23.864 -19.644 1.00 0.00 H new ATOM 0 HG LEU B 98 -16.904 22.768 -17.693 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -15.698 23.818 -15.818 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -14.774 22.473 -16.528 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -14.323 24.154 -16.897 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -17.213 25.169 -17.219 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -15.898 25.557 -18.354 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -17.398 24.809 -18.952 1.00 0.00 H new TER 1240 LEU B 98