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 Set 1.1: B 66 HIS : no HD1:sc= -0.55 X(o=-1.6,f=-1.8) USER MOD Set 1.2: B 69 SER OG : rot -50:sc= -1.06 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.232 X(o=-0.23,f=-0.05) USER MOD Single : A 67 HIS : no HD1:sc= -0.298 X(o=-0.3,f=-0.07) USER MOD Single : A 69 SER OG : rot 180:sc= 0 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 -50:sc= -0.106 USER MOD Single : A 92 SER OG : rot 78:sc= 1.16 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 63 GLN : amide:sc=-0.00274 X(o=-0.0027,f=0) USER MOD Single : B 67 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : B 74 THR OG1 : rot 180:sc=-0.00238 USER MOD Single : B 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 THR OG1 : rot -60:sc= -0.0793 USER MOD Single : B 92 SER OG : rot -72:sc= 1.21 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 61 -8.267 -3.769 -10.716 1.00 0.00 N ATOM 2 CA ARG A 61 -7.125 -4.489 -10.166 1.00 0.00 C ATOM 3 C ARG A 61 -5.850 -3.659 -10.286 1.00 0.00 C ATOM 4 O ARG A 61 -5.062 -3.842 -11.214 1.00 0.00 O ATOM 5 CB ARG A 61 -6.945 -5.827 -10.886 1.00 0.00 C ATOM 6 CG ARG A 61 -8.014 -6.852 -10.543 1.00 0.00 C ATOM 7 CD ARG A 61 -9.200 -6.756 -11.489 1.00 0.00 C ATOM 8 NE ARG A 61 -8.954 -7.453 -12.749 1.00 0.00 N ATOM 9 CZ ARG A 61 -9.043 -8.771 -12.889 1.00 0.00 C ATOM 10 NH1 ARG A 61 -9.371 -9.530 -11.853 1.00 0.00 N ATOM 11 NH2 ARG A 61 -8.804 -9.332 -14.067 1.00 0.00 N ATOM 0 HA ARG A 61 -7.319 -4.675 -9.110 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.951 -5.654 -11.962 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.967 -6.237 -10.634 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.588 -7.854 -10.592 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.351 -6.699 -9.518 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.082 -7.178 -11.008 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.418 -5.707 -11.692 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.700 -6.897 -13.566 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.556 -9.102 -10.946 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.439 -10.542 -11.963 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.552 -8.751 -14.867 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.873 -10.344 -14.173 1.00 0.00 H new ATOM 25 N VAL A 62 -5.655 -2.745 -9.341 1.00 0.00 N ATOM 26 CA VAL A 62 -4.476 -1.887 -9.340 1.00 0.00 C ATOM 27 C VAL A 62 -4.011 -1.594 -7.918 1.00 0.00 C ATOM 28 O VAL A 62 -4.536 -0.700 -7.255 1.00 0.00 O ATOM 29 CB VAL A 62 -4.751 -0.555 -10.063 1.00 0.00 C ATOM 30 CG1 VAL A 62 -3.518 0.335 -10.030 1.00 0.00 C ATOM 31 CG2 VAL A 62 -5.196 -0.809 -11.495 1.00 0.00 C ATOM 0 H VAL A 62 -6.298 -2.580 -8.567 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.692 -2.426 -9.872 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.557 -0.038 -9.542 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.731 1.271 -10.546 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.248 0.544 -8.995 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.690 -0.172 -10.526 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.386 0.143 -11.991 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.413 -1.347 -12.029 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.108 -1.405 -11.492 1.00 0.00 H new ATOM 41 N GLN A 63 -3.022 -2.353 -7.456 1.00 0.00 N ATOM 42 CA GLN A 63 -2.487 -2.174 -6.112 1.00 0.00 C ATOM 43 C GLN A 63 -1.598 -0.937 -6.040 1.00 0.00 C ATOM 44 O GLN A 63 -1.361 -0.270 -7.048 1.00 0.00 O ATOM 45 CB GLN A 63 -1.694 -3.412 -5.688 1.00 0.00 C ATOM 46 CG GLN A 63 -2.149 -4.001 -4.362 1.00 0.00 C ATOM 47 CD GLN A 63 -1.270 -5.147 -3.900 1.00 0.00 C ATOM 48 OE1 GLN A 63 -0.577 -5.043 -2.888 1.00 0.00 O ATOM 49 NE2 GLN A 63 -1.295 -6.248 -4.641 1.00 0.00 N ATOM 0 H GLN A 63 -2.576 -3.097 -7.992 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.325 -2.036 -5.429 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.782 -4.173 -6.463 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.638 -3.150 -5.617 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.149 -3.219 -3.602 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.176 -4.352 -4.458 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.885 -6.290 -5.472 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.725 -7.052 -4.379 1.00 0.00 H new ATOM 58 N LEU A 64 -1.108 -0.636 -4.843 1.00 0.00 N ATOM 59 CA LEU A 64 -0.245 0.523 -4.639 1.00 0.00 C ATOM 60 C LEU A 64 0.648 0.328 -3.418 1.00 0.00 C ATOM 61 O LEU A 64 0.577 -0.698 -2.742 1.00 0.00 O ATOM 62 CB LEU A 64 -1.087 1.788 -4.473 1.00 0.00 C ATOM 63 CG LEU A 64 -1.864 1.910 -3.161 1.00 0.00 C ATOM 64 CD1 LEU A 64 -2.240 3.360 -2.896 1.00 0.00 C ATOM 65 CD2 LEU A 64 -3.107 1.032 -3.194 1.00 0.00 C ATOM 0 H LEU A 64 -1.293 -1.178 -3.999 1.00 0.00 H new ATOM 0 HA LEU A 64 0.391 0.631 -5.518 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.430 2.653 -4.564 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.797 1.839 -5.299 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.223 1.568 -2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.792 3.427 -1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.335 3.964 -2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.863 3.729 -3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.648 1.131 -2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.751 1.343 -4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.814 -0.008 -3.336 1.00 0.00 H new ATOM 77 N ALA A 65 1.486 1.321 -3.139 1.00 0.00 N ATOM 78 CA ALA A 65 2.390 1.261 -1.997 1.00 0.00 C ATOM 79 C ALA A 65 3.516 0.263 -2.240 1.00 0.00 C ATOM 80 O ALA A 65 4.019 -0.362 -1.305 1.00 0.00 O ATOM 81 CB ALA A 65 1.622 0.896 -0.735 1.00 0.00 C ATOM 0 H ALA A 65 1.558 2.177 -3.689 1.00 0.00 H new ATOM 0 HA ALA A 65 2.836 2.247 -1.866 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.309 0.855 0.110 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.857 1.649 -0.544 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.149 -0.077 -0.866 1.00 0.00 H new ATOM 87 N HIS A 66 3.909 0.116 -3.502 1.00 0.00 N ATOM 88 CA HIS A 66 4.978 -0.807 -3.868 1.00 0.00 C ATOM 89 C HIS A 66 5.579 -0.434 -5.219 1.00 0.00 C ATOM 90 O HIS A 66 5.011 0.367 -5.963 1.00 0.00 O ATOM 91 CB HIS A 66 4.449 -2.241 -3.910 1.00 0.00 C ATOM 92 CG HIS A 66 5.358 -3.234 -3.254 1.00 0.00 C ATOM 93 ND1 HIS A 66 5.587 -4.495 -3.762 1.00 0.00 N ATOM 94 CD2 HIS A 66 6.098 -3.145 -2.124 1.00 0.00 C ATOM 95 CE1 HIS A 66 6.427 -5.140 -2.972 1.00 0.00 C ATOM 96 NE2 HIS A 66 6.753 -4.342 -1.971 1.00 0.00 N ATOM 0 H HIS A 66 3.503 0.624 -4.288 1.00 0.00 H new ATOM 0 HA HIS A 66 5.760 -0.738 -3.111 1.00 0.00 H new ATOM 0 HB2 HIS A 66 3.475 -2.275 -3.422 1.00 0.00 H new ATOM 0 HB3 HIS A 66 4.295 -2.533 -4.949 1.00 0.00 H new ATOM 0 HD2 HIS A 66 6.161 -2.291 -1.465 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.786 -6.148 -3.119 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.388 -4.577 -1.208 1.00 0.00 H new ATOM 104 N HIS A 67 6.731 -1.019 -5.531 1.00 0.00 N ATOM 105 CA HIS A 67 7.409 -0.748 -6.794 1.00 0.00 C ATOM 106 C HIS A 67 8.657 -1.615 -6.937 1.00 0.00 C ATOM 107 O HIS A 67 9.773 -1.160 -6.685 1.00 0.00 O ATOM 108 CB HIS A 67 7.787 0.730 -6.886 1.00 0.00 C ATOM 109 CG HIS A 67 8.522 1.083 -8.143 1.00 0.00 C ATOM 110 ND1 HIS A 67 9.345 2.184 -8.250 1.00 0.00 N ATOM 111 CD2 HIS A 67 8.555 0.472 -9.350 1.00 0.00 C ATOM 112 CE1 HIS A 67 9.851 2.236 -9.469 1.00 0.00 C ATOM 113 NE2 HIS A 67 9.387 1.208 -10.157 1.00 0.00 N ATOM 0 H HIS A 67 7.215 -1.684 -4.927 1.00 0.00 H new ATOM 0 HA HIS A 67 6.724 -0.991 -7.606 1.00 0.00 H new ATOM 0 HB2 HIS A 67 6.881 1.333 -6.823 1.00 0.00 H new ATOM 0 HB3 HIS A 67 8.405 0.993 -6.027 1.00 0.00 H new ATOM 0 HD2 HIS A 67 8.025 -0.427 -9.627 1.00 0.00 H new ATOM 0 HE1 HIS A 67 10.529 2.991 -9.840 1.00 0.00 H new ATOM 0 HE2 HIS A 67 9.610 0.996 -11.129 1.00 0.00 H new ATOM 121 N PHE A 68 8.460 -2.865 -7.342 1.00 0.00 N ATOM 122 CA PHE A 68 9.569 -3.796 -7.517 1.00 0.00 C ATOM 123 C PHE A 68 10.569 -3.264 -8.539 1.00 0.00 C ATOM 124 O PHE A 68 10.423 -2.152 -9.046 1.00 0.00 O ATOM 125 CB PHE A 68 9.048 -5.165 -7.960 1.00 0.00 C ATOM 126 CG PHE A 68 9.661 -6.311 -7.207 1.00 0.00 C ATOM 127 CD1 PHE A 68 9.439 -6.462 -5.848 1.00 0.00 C ATOM 128 CD2 PHE A 68 10.458 -7.238 -7.859 1.00 0.00 C ATOM 129 CE1 PHE A 68 10.001 -7.516 -5.152 1.00 0.00 C ATOM 130 CE2 PHE A 68 11.022 -8.294 -7.169 1.00 0.00 C ATOM 131 CZ PHE A 68 10.794 -8.433 -5.814 1.00 0.00 C ATOM 0 H PHE A 68 7.543 -3.257 -7.555 1.00 0.00 H new ATOM 0 HA PHE A 68 10.077 -3.902 -6.559 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.966 -5.193 -7.830 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.245 -5.293 -9.024 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.819 -5.748 -5.326 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.640 -7.134 -8.918 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.820 -7.622 -4.093 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.641 -9.010 -7.689 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.235 -9.257 -5.273 1.00 0.00 H new ATOM 141 N SER A 69 11.585 -4.067 -8.837 1.00 0.00 N ATOM 142 CA SER A 69 12.613 -3.677 -9.795 1.00 0.00 C ATOM 143 C SER A 69 12.045 -3.629 -11.211 1.00 0.00 C ATOM 144 O SER A 69 11.915 -2.558 -11.802 1.00 0.00 O ATOM 145 CB SER A 69 13.790 -4.652 -9.738 1.00 0.00 C ATOM 146 OG SER A 69 14.954 -4.081 -10.311 1.00 0.00 O ATOM 0 H SER A 69 11.719 -4.992 -8.429 1.00 0.00 H new ATOM 0 HA SER A 69 12.964 -2.680 -9.529 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.988 -4.927 -8.702 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.532 -5.569 -10.268 1.00 0.00 H new ATOM 0 HG SER A 69 15.692 -4.723 -10.261 1.00 0.00 H new ATOM 152 N GLU A 70 11.710 -4.798 -11.747 1.00 0.00 N ATOM 153 CA GLU A 70 11.157 -4.890 -13.093 1.00 0.00 C ATOM 154 C GLU A 70 12.030 -4.135 -14.092 1.00 0.00 C ATOM 155 O GLU A 70 11.683 -3.052 -14.563 1.00 0.00 O ATOM 156 CB GLU A 70 9.732 -4.334 -13.122 1.00 0.00 C ATOM 157 CG GLU A 70 8.883 -4.774 -11.942 1.00 0.00 C ATOM 158 CD GLU A 70 7.491 -4.173 -11.968 1.00 0.00 C ATOM 159 OE1 GLU A 70 6.955 -3.964 -13.076 1.00 0.00 O ATOM 160 OE2 GLU A 70 6.938 -3.911 -10.879 1.00 0.00 O ATOM 0 H GLU A 70 11.812 -5.694 -11.270 1.00 0.00 H new ATOM 0 HA GLU A 70 11.134 -5.942 -13.378 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.776 -3.245 -13.141 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.247 -4.649 -14.046 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.805 -5.861 -11.941 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.380 -4.489 -11.015 1.00 0.00 H new ATOM 167 N PRO A 71 13.191 -4.720 -14.423 1.00 0.00 N ATOM 168 CA PRO A 71 14.137 -4.120 -15.368 1.00 0.00 C ATOM 169 C PRO A 71 13.612 -4.130 -16.800 1.00 0.00 C ATOM 170 O PRO A 71 14.021 -4.956 -17.615 1.00 0.00 O ATOM 171 CB PRO A 71 15.374 -5.015 -15.247 1.00 0.00 C ATOM 172 CG PRO A 71 14.848 -6.327 -14.778 1.00 0.00 C ATOM 173 CD PRO A 71 13.668 -6.011 -13.900 1.00 0.00 C ATOM 0 HA PRO A 71 14.328 -3.071 -15.142 1.00 0.00 H new ATOM 0 HB2 PRO A 71 15.887 -5.113 -16.204 1.00 0.00 H new ATOM 0 HB3 PRO A 71 16.094 -4.602 -14.541 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.551 -6.952 -15.620 1.00 0.00 H new ATOM 0 HG3 PRO A 71 15.609 -6.877 -14.225 1.00 0.00 H new ATOM 0 HD2 PRO A 71 12.899 -6.781 -13.967 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.955 -5.938 -12.851 1.00 0.00 H new ATOM 181 N GLU A 72 12.703 -3.207 -17.098 1.00 0.00 N ATOM 182 CA GLU A 72 12.122 -3.110 -18.432 1.00 0.00 C ATOM 183 C GLU A 72 11.514 -1.729 -18.662 1.00 0.00 C ATOM 184 O GLU A 72 10.522 -1.588 -19.377 1.00 0.00 O ATOM 185 CB GLU A 72 11.054 -4.188 -18.626 1.00 0.00 C ATOM 186 CG GLU A 72 11.624 -5.562 -18.938 1.00 0.00 C ATOM 187 CD GLU A 72 12.715 -5.514 -19.990 1.00 0.00 C ATOM 188 OE1 GLU A 72 12.648 -4.635 -20.874 1.00 0.00 O ATOM 189 OE2 GLU A 72 13.635 -6.357 -19.930 1.00 0.00 O ATOM 0 H GLU A 72 12.353 -2.516 -16.434 1.00 0.00 H new ATOM 0 HA GLU A 72 12.919 -3.263 -19.160 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.447 -4.252 -17.723 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.389 -3.887 -19.436 1.00 0.00 H new ATOM 0 HG2 GLU A 72 12.024 -6.002 -18.024 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.822 -6.215 -19.281 1.00 0.00 H new ATOM 196 N ILE A 73 12.117 -0.715 -18.051 1.00 0.00 N ATOM 197 CA ILE A 73 11.636 0.654 -18.190 1.00 0.00 C ATOM 198 C ILE A 73 11.381 1.001 -19.652 1.00 0.00 C ATOM 199 O ILE A 73 10.284 1.423 -20.020 1.00 0.00 O ATOM 200 CB ILE A 73 12.639 1.665 -17.601 1.00 0.00 C ATOM 201 CG1 ILE A 73 12.898 1.358 -16.125 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.119 3.085 -17.770 1.00 0.00 C ATOM 203 CD1 ILE A 73 13.899 2.291 -15.481 1.00 0.00 C ATOM 0 H ILE A 73 12.939 -0.815 -17.455 1.00 0.00 H new ATOM 0 HA ILE A 73 10.700 0.718 -17.636 1.00 0.00 H new ATOM 0 HB ILE A 73 13.582 1.577 -18.141 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.956 1.416 -15.579 1.00 0.00 H new ATOM 0 HG13 ILE A 73 13.257 0.333 -16.033 1.00 0.00 H new ATOM 0 HG21 ILE A 73 12.838 3.788 -17.349 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.981 3.298 -18.830 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.166 3.187 -17.252 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.033 2.015 -14.435 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.854 2.216 -16.002 1.00 0.00 H new ATOM 0 HD13 ILE A 73 13.532 3.316 -15.541 1.00 0.00 H new ATOM 215 N THR A 74 12.401 0.820 -20.485 1.00 0.00 N ATOM 216 CA THR A 74 12.287 1.113 -21.908 1.00 0.00 C ATOM 217 C THR A 74 11.046 0.462 -22.507 1.00 0.00 C ATOM 218 O THR A 74 10.275 1.108 -23.218 1.00 0.00 O ATOM 219 CB THR A 74 13.529 0.631 -22.682 1.00 0.00 C ATOM 220 OG1 THR A 74 14.709 1.237 -22.142 1.00 0.00 O ATOM 221 CG2 THR A 74 13.411 0.970 -24.160 1.00 0.00 C ATOM 0 H THR A 74 13.316 0.472 -20.198 1.00 0.00 H new ATOM 0 HA THR A 74 12.206 2.196 -22.001 1.00 0.00 H new ATOM 0 HB THR A 74 13.597 -0.452 -22.578 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.494 0.924 -22.638 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.299 0.620 -24.686 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.528 0.484 -24.575 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.321 2.050 -24.280 1.00 0.00 H new ATOM 229 N LEU A 75 10.856 -0.820 -22.214 1.00 0.00 N ATOM 230 CA LEU A 75 9.706 -1.559 -22.723 1.00 0.00 C ATOM 231 C LEU A 75 8.401 -0.880 -22.320 1.00 0.00 C ATOM 232 O LEU A 75 7.522 -0.659 -23.153 1.00 0.00 O ATOM 233 CB LEU A 75 9.728 -2.997 -22.202 1.00 0.00 C ATOM 234 CG LEU A 75 10.656 -3.964 -22.940 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.432 -5.390 -22.460 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.442 -3.865 -24.443 1.00 0.00 C ATOM 0 H LEU A 75 11.484 -1.369 -21.627 1.00 0.00 H new ATOM 0 HA LEU A 75 9.766 -1.572 -23.811 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.018 -2.977 -21.151 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.714 -3.394 -22.246 1.00 0.00 H new ATOM 0 HG LEU A 75 11.687 -3.687 -22.721 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.101 -6.064 -22.996 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.636 -5.450 -21.391 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.398 -5.679 -22.649 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.110 -4.560 -24.952 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.408 -4.116 -24.681 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.654 -2.849 -24.775 1.00 0.00 H new ATOM 248 N ILE A 76 8.283 -0.551 -21.038 1.00 0.00 N ATOM 249 CA ILE A 76 7.087 0.105 -20.525 1.00 0.00 C ATOM 250 C ILE A 76 6.801 1.397 -21.284 1.00 0.00 C ATOM 251 O ILE A 76 5.662 1.663 -21.669 1.00 0.00 O ATOM 252 CB ILE A 76 7.218 0.423 -19.024 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.488 -0.858 -18.231 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.960 1.111 -18.516 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.420 -1.914 -18.408 1.00 0.00 C ATOM 0 H ILE A 76 9.001 -0.728 -20.336 1.00 0.00 H new ATOM 0 HA ILE A 76 6.260 -0.590 -20.669 1.00 0.00 H new ATOM 0 HB ILE A 76 8.061 1.100 -18.883 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.449 -1.270 -18.538 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.571 -0.610 -17.173 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.068 1.329 -17.454 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.808 2.041 -19.064 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.101 0.457 -18.666 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.677 -2.794 -17.818 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.460 -1.520 -18.074 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.352 -2.190 -19.460 1.00 0.00 H new ATOM 267 N ILE A 77 7.842 2.194 -21.496 1.00 0.00 N ATOM 268 CA ILE A 77 7.704 3.457 -22.211 1.00 0.00 C ATOM 269 C ILE A 77 7.292 3.225 -23.661 1.00 0.00 C ATOM 270 O ILE A 77 6.337 3.829 -24.150 1.00 0.00 O ATOM 271 CB ILE A 77 9.014 4.266 -22.184 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.372 4.651 -20.747 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.888 5.507 -23.055 1.00 0.00 C ATOM 274 CD1 ILE A 77 8.447 5.689 -20.152 1.00 0.00 C ATOM 0 H ILE A 77 8.791 1.988 -21.183 1.00 0.00 H new ATOM 0 HA ILE A 77 6.926 4.025 -21.701 1.00 0.00 H new ATOM 0 HB ILE A 77 9.816 3.645 -22.584 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.351 3.757 -20.124 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.393 5.031 -20.725 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.822 6.068 -23.026 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.675 5.211 -24.082 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.077 6.132 -22.682 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.760 5.914 -19.132 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.486 6.598 -20.752 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.427 5.304 -20.142 1.00 0.00 H new ATOM 286 N PHE A 78 8.017 2.345 -24.343 1.00 0.00 N ATOM 287 CA PHE A 78 7.727 2.032 -25.737 1.00 0.00 C ATOM 288 C PHE A 78 6.273 1.602 -25.907 1.00 0.00 C ATOM 289 O PHE A 78 5.572 2.081 -26.796 1.00 0.00 O ATOM 290 CB PHE A 78 8.660 0.928 -26.239 1.00 0.00 C ATOM 291 CG PHE A 78 8.268 0.376 -27.580 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.734 0.959 -28.747 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.435 -0.727 -27.673 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.375 0.454 -29.982 1.00 0.00 C ATOM 295 CE2 PHE A 78 7.072 -1.237 -28.905 1.00 0.00 C ATOM 296 CZ PHE A 78 7.544 -0.647 -30.061 1.00 0.00 C ATOM 0 H PHE A 78 8.810 1.836 -23.953 1.00 0.00 H new ATOM 0 HA PHE A 78 7.892 2.933 -26.327 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.675 1.321 -26.299 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.675 0.117 -25.511 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.386 1.818 -28.691 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.065 -1.194 -26.772 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.743 0.919 -30.884 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.420 -2.096 -28.964 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.264 -1.045 -31.025 1.00 0.00 H new ATOM 306 N GLY A 79 5.827 0.692 -25.046 1.00 0.00 N ATOM 307 CA GLY A 79 4.460 0.210 -25.117 1.00 0.00 C ATOM 308 C GLY A 79 3.445 1.332 -25.029 1.00 0.00 C ATOM 309 O GLY A 79 2.599 1.484 -25.910 1.00 0.00 O ATOM 0 H GLY A 79 6.388 0.280 -24.301 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.317 -0.333 -26.052 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.285 -0.498 -24.307 1.00 0.00 H new ATOM 313 N VAL A 80 3.527 2.120 -23.961 1.00 0.00 N ATOM 314 CA VAL A 80 2.608 3.234 -23.761 1.00 0.00 C ATOM 315 C VAL A 80 2.715 4.246 -24.896 1.00 0.00 C ATOM 316 O VAL A 80 1.725 4.867 -25.282 1.00 0.00 O ATOM 317 CB VAL A 80 2.877 3.949 -22.423 1.00 0.00 C ATOM 318 CG1 VAL A 80 1.869 5.068 -22.204 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.842 2.956 -21.272 1.00 0.00 C ATOM 0 H VAL A 80 4.220 2.007 -23.221 1.00 0.00 H new ATOM 0 HA VAL A 80 1.602 2.816 -23.746 1.00 0.00 H new ATOM 0 HB VAL A 80 3.873 4.391 -22.461 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.074 5.562 -21.254 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.948 5.793 -23.014 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.862 4.652 -22.186 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.034 3.478 -20.335 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.861 2.483 -21.229 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.606 2.194 -21.426 1.00 0.00 H new ATOM 329 N MET A 81 3.922 4.406 -25.428 1.00 0.00 N ATOM 330 CA MET A 81 4.158 5.341 -26.521 1.00 0.00 C ATOM 331 C MET A 81 3.423 4.899 -27.783 1.00 0.00 C ATOM 332 O MET A 81 2.791 5.710 -28.460 1.00 0.00 O ATOM 333 CB MET A 81 5.656 5.460 -26.805 1.00 0.00 C ATOM 334 CG MET A 81 6.399 6.325 -25.799 1.00 0.00 C ATOM 335 SD MET A 81 6.365 8.076 -26.230 1.00 0.00 S ATOM 336 CE MET A 81 7.982 8.595 -25.662 1.00 0.00 C ATOM 0 H MET A 81 4.752 3.900 -25.120 1.00 0.00 H new ATOM 0 HA MET A 81 3.774 6.316 -26.221 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.097 4.463 -26.810 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.796 5.876 -27.803 1.00 0.00 H new ATOM 0 HG2 MET A 81 5.957 6.189 -24.812 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.434 5.991 -25.733 1.00 0.00 H new ATOM 0 HE1 MET A 81 8.113 9.659 -25.859 1.00 0.00 H new ATOM 0 HE2 MET A 81 8.068 8.411 -24.591 1.00 0.00 H new ATOM 0 HE3 MET A 81 8.751 8.031 -26.190 1.00 0.00 H new ATOM 346 N ALA A 82 3.510 3.610 -28.092 1.00 0.00 N ATOM 347 CA ALA A 82 2.852 3.061 -29.271 1.00 0.00 C ATOM 348 C ALA A 82 1.335 3.135 -29.137 1.00 0.00 C ATOM 349 O ALA A 82 0.639 3.540 -30.067 1.00 0.00 O ATOM 350 CB ALA A 82 3.294 1.623 -29.501 1.00 0.00 C ATOM 0 H ALA A 82 4.030 2.926 -27.542 1.00 0.00 H new ATOM 0 HA ALA A 82 3.144 3.661 -30.132 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.795 1.226 -30.385 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.373 1.594 -29.650 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.031 1.018 -28.633 1.00 0.00 H new ATOM 356 N GLY A 83 0.828 2.738 -27.973 1.00 0.00 N ATOM 357 CA GLY A 83 -0.604 2.767 -27.740 1.00 0.00 C ATOM 358 C GLY A 83 -1.170 4.173 -27.779 1.00 0.00 C ATOM 359 O GLY A 83 -2.121 4.447 -28.512 1.00 0.00 O ATOM 0 H GLY A 83 1.383 2.397 -27.188 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.104 2.157 -28.492 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.820 2.318 -26.770 1.00 0.00 H new ATOM 363 N VAL A 84 -0.586 5.067 -26.988 1.00 0.00 N ATOM 364 CA VAL A 84 -1.038 6.452 -26.935 1.00 0.00 C ATOM 365 C VAL A 84 -1.080 7.070 -28.327 1.00 0.00 C ATOM 366 O VAL A 84 -2.124 7.545 -28.776 1.00 0.00 O ATOM 367 CB VAL A 84 -0.126 7.305 -26.033 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.475 8.780 -26.165 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.234 6.851 -24.585 1.00 0.00 C ATOM 0 H VAL A 84 0.202 4.857 -26.375 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.044 6.441 -26.516 1.00 0.00 H new ATOM 0 HB VAL A 84 0.906 7.169 -26.356 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.179 9.368 -25.521 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.342 9.094 -27.200 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.512 8.936 -25.868 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.417 7.464 -23.962 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.265 6.956 -24.247 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.068 5.807 -24.508 1.00 0.00 H new ATOM 379 N ILE A 85 0.062 7.060 -29.008 1.00 0.00 N ATOM 380 CA ILE A 85 0.155 7.619 -30.351 1.00 0.00 C ATOM 381 C ILE A 85 -0.881 6.994 -31.279 1.00 0.00 C ATOM 382 O ILE A 85 -1.515 7.686 -32.074 1.00 0.00 O ATOM 383 CB ILE A 85 1.558 7.410 -30.951 1.00 0.00 C ATOM 384 CG1 ILE A 85 2.604 8.175 -30.137 1.00 0.00 C ATOM 385 CG2 ILE A 85 1.583 7.854 -32.406 1.00 0.00 C ATOM 386 CD1 ILE A 85 2.447 9.678 -30.213 1.00 0.00 C ATOM 0 H ILE A 85 0.935 6.671 -28.651 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.038 8.688 -30.263 1.00 0.00 H new ATOM 0 HB ILE A 85 1.800 6.348 -30.911 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.541 7.863 -29.094 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.598 7.903 -30.491 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.581 7.700 -32.816 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.862 7.269 -32.977 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.324 8.911 -32.468 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.221 10.156 -29.613 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.540 10.002 -31.250 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.466 9.961 -29.831 1.00 0.00 H new ATOM 398 N GLY A 86 -1.048 5.679 -31.171 1.00 0.00 N ATOM 399 CA GLY A 86 -2.010 4.983 -32.005 1.00 0.00 C ATOM 400 C GLY A 86 -3.419 5.515 -31.835 1.00 0.00 C ATOM 401 O GLY A 86 -4.078 5.875 -32.811 1.00 0.00 O ATOM 0 H GLY A 86 -0.534 5.084 -30.521 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.714 5.076 -33.050 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.995 3.920 -31.762 1.00 0.00 H new ATOM 405 N THR A 87 -3.885 5.565 -30.590 1.00 0.00 N ATOM 406 CA THR A 87 -5.225 6.054 -30.295 1.00 0.00 C ATOM 407 C THR A 87 -5.439 7.451 -30.866 1.00 0.00 C ATOM 408 O THR A 87 -6.482 7.739 -31.453 1.00 0.00 O ATOM 409 CB THR A 87 -5.490 6.086 -28.778 1.00 0.00 C ATOM 410 OG1 THR A 87 -4.893 4.945 -28.152 1.00 0.00 O ATOM 411 CG2 THR A 87 -6.984 6.104 -28.490 1.00 0.00 C ATOM 0 H THR A 87 -3.353 5.272 -29.770 1.00 0.00 H new ATOM 0 HA THR A 87 -5.924 5.362 -30.764 1.00 0.00 H new ATOM 0 HB THR A 87 -5.046 6.996 -28.373 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.157 4.133 -28.632 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.147 6.126 -27.412 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.431 6.989 -28.943 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.446 5.210 -28.908 1.00 0.00 H new ATOM 419 N ILE A 88 -4.445 8.315 -30.690 1.00 0.00 N ATOM 420 CA ILE A 88 -4.524 9.682 -31.190 1.00 0.00 C ATOM 421 C ILE A 88 -4.793 9.704 -32.691 1.00 0.00 C ATOM 422 O ILE A 88 -5.670 10.428 -33.166 1.00 0.00 O ATOM 423 CB ILE A 88 -3.228 10.463 -30.901 1.00 0.00 C ATOM 424 CG1 ILE A 88 -3.024 10.615 -29.393 1.00 0.00 C ATOM 425 CG2 ILE A 88 -3.270 11.827 -31.575 1.00 0.00 C ATOM 426 CD1 ILE A 88 -4.078 11.469 -28.723 1.00 0.00 C ATOM 0 H ILE A 88 -3.576 8.093 -30.205 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.352 10.161 -30.668 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.386 9.904 -31.308 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.023 9.627 -28.933 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.043 11.053 -29.210 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.347 12.367 -31.362 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.374 11.697 -32.652 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.119 12.395 -31.194 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.870 11.533 -27.655 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.065 12.469 -29.156 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.060 11.021 -28.875 1.00 0.00 H new ATOM 438 N LEU A 89 -4.035 8.905 -33.434 1.00 0.00 N ATOM 439 CA LEU A 89 -4.193 8.830 -34.882 1.00 0.00 C ATOM 440 C LEU A 89 -5.614 8.421 -35.255 1.00 0.00 C ATOM 441 O LEU A 89 -6.294 9.117 -36.011 1.00 0.00 O ATOM 442 CB LEU A 89 -3.192 7.835 -35.473 1.00 0.00 C ATOM 443 CG LEU A 89 -1.744 8.316 -35.568 1.00 0.00 C ATOM 444 CD1 LEU A 89 -0.789 7.133 -35.590 1.00 0.00 C ATOM 445 CD2 LEU A 89 -1.549 9.184 -36.802 1.00 0.00 C ATOM 0 H LEU A 89 -3.305 8.300 -33.058 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.000 9.820 -35.295 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.213 6.927 -34.870 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.529 7.562 -36.473 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.524 8.919 -34.687 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.237 7.495 -35.658 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.909 6.552 -34.676 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.009 6.503 -36.452 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.512 9.517 -36.853 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.789 8.606 -37.695 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.206 10.052 -36.744 1.00 0.00 H new ATOM 457 N LEU A 90 -6.058 7.290 -34.719 1.00 0.00 N ATOM 458 CA LEU A 90 -7.401 6.789 -34.993 1.00 0.00 C ATOM 459 C LEU A 90 -8.457 7.813 -34.592 1.00 0.00 C ATOM 460 O LEU A 90 -9.341 8.149 -35.381 1.00 0.00 O ATOM 461 CB LEU A 90 -7.638 5.475 -34.246 1.00 0.00 C ATOM 462 CG LEU A 90 -7.024 4.224 -34.875 1.00 0.00 C ATOM 463 CD1 LEU A 90 -7.391 4.132 -36.348 1.00 0.00 C ATOM 464 CD2 LEU A 90 -5.512 4.226 -34.699 1.00 0.00 C ATOM 0 H LEU A 90 -5.508 6.702 -34.092 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.484 6.611 -36.065 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.244 5.579 -33.235 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.713 5.321 -34.155 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.428 3.349 -34.366 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.945 3.235 -36.779 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.475 4.083 -36.451 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.016 5.011 -36.872 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.092 3.328 -35.153 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.091 5.108 -35.182 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.269 4.243 -33.636 1.00 0.00 H new ATOM 476 N ILE A 91 -8.357 8.308 -33.363 1.00 0.00 N ATOM 477 CA ILE A 91 -9.302 9.297 -32.859 1.00 0.00 C ATOM 478 C ILE A 91 -9.348 10.524 -33.763 1.00 0.00 C ATOM 479 O ILE A 91 -10.423 10.997 -34.132 1.00 0.00 O ATOM 480 CB ILE A 91 -8.944 9.740 -31.428 1.00 0.00 C ATOM 481 CG1 ILE A 91 -9.191 8.598 -30.441 1.00 0.00 C ATOM 482 CG2 ILE A 91 -9.751 10.970 -31.037 1.00 0.00 C ATOM 483 CD1 ILE A 91 -10.651 8.226 -30.300 1.00 0.00 C ATOM 0 H ILE A 91 -7.631 8.040 -32.698 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.282 8.820 -32.848 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.886 9.999 -31.397 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.631 7.721 -30.765 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.801 8.882 -29.464 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -9.487 11.271 -30.023 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.530 11.785 -31.727 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -10.815 10.736 -31.081 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.751 7.410 -29.585 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -11.214 9.090 -29.946 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -11.041 7.910 -31.268 1.00 0.00 H new ATOM 495 N SER A 92 -8.173 11.035 -34.118 1.00 0.00 N ATOM 496 CA SER A 92 -8.078 12.209 -34.977 1.00 0.00 C ATOM 497 C SER A 92 -8.836 11.989 -36.283 1.00 0.00 C ATOM 498 O SER A 92 -9.347 12.935 -36.884 1.00 0.00 O ATOM 499 CB SER A 92 -6.612 12.533 -35.274 1.00 0.00 C ATOM 500 OG SER A 92 -5.939 12.967 -34.105 1.00 0.00 O ATOM 0 H SER A 92 -7.274 10.654 -33.824 1.00 0.00 H new ATOM 0 HA SER A 92 -8.530 13.050 -34.452 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.116 11.650 -35.677 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.555 13.307 -36.039 1.00 0.00 H new ATOM 0 HG SER A 92 -5.714 12.191 -33.550 1.00 0.00 H new ATOM 506 N TYR A 93 -8.905 10.735 -36.715 1.00 0.00 N ATOM 507 CA TYR A 93 -9.598 10.390 -37.951 1.00 0.00 C ATOM 508 C TYR A 93 -11.110 10.501 -37.776 1.00 0.00 C ATOM 509 O TYR A 93 -11.823 10.918 -38.688 1.00 0.00 O ATOM 510 CB TYR A 93 -9.227 8.973 -38.389 1.00 0.00 C ATOM 511 CG TYR A 93 -9.655 8.645 -39.802 1.00 0.00 C ATOM 512 CD1 TYR A 93 -10.913 8.115 -40.062 1.00 0.00 C ATOM 513 CD2 TYR A 93 -8.801 8.863 -40.876 1.00 0.00 C ATOM 514 CE1 TYR A 93 -11.308 7.813 -41.351 1.00 0.00 C ATOM 515 CE2 TYR A 93 -9.188 8.566 -42.168 1.00 0.00 C ATOM 516 CZ TYR A 93 -10.442 8.041 -42.401 1.00 0.00 C ATOM 517 OH TYR A 93 -10.831 7.741 -43.686 1.00 0.00 O ATOM 0 H TYR A 93 -8.490 9.941 -36.228 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.287 11.095 -38.722 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.147 8.847 -38.307 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.684 8.259 -37.705 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.593 7.936 -39.243 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.817 9.272 -40.697 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.289 7.401 -41.536 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -8.512 8.744 -42.992 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.106 7.962 -44.307 1.00 0.00 H new ATOM 527 N GLY A 94 -11.592 10.124 -36.596 1.00 0.00 N ATOM 528 CA GLY A 94 -13.016 10.189 -36.321 1.00 0.00 C ATOM 529 C GLY A 94 -13.544 11.610 -36.329 1.00 0.00 C ATOM 530 O GLY A 94 -14.657 11.863 -36.791 1.00 0.00 O ATOM 0 H GLY A 94 -11.022 9.775 -35.825 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.554 9.601 -37.065 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.216 9.736 -35.350 1.00 0.00 H new ATOM 534 N ILE A 95 -12.746 12.539 -35.814 1.00 0.00 N ATOM 535 CA ILE A 95 -13.140 13.941 -35.763 1.00 0.00 C ATOM 536 C ILE A 95 -13.274 14.525 -37.165 1.00 0.00 C ATOM 537 O ILE A 95 -14.086 15.420 -37.400 1.00 0.00 O ATOM 538 CB ILE A 95 -12.127 14.782 -34.963 1.00 0.00 C ATOM 539 CG1 ILE A 95 -12.006 14.250 -33.533 1.00 0.00 C ATOM 540 CG2 ILE A 95 -12.542 16.246 -34.957 1.00 0.00 C ATOM 541 CD1 ILE A 95 -10.787 14.763 -32.799 1.00 0.00 C ATOM 0 H ILE A 95 -11.823 12.346 -35.426 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.107 13.979 -35.262 1.00 0.00 H new ATOM 0 HB ILE A 95 -11.152 14.703 -35.443 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -12.900 14.527 -32.974 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.972 13.161 -33.561 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.817 16.827 -34.388 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -12.581 16.617 -35.981 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -13.526 16.343 -34.498 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -10.766 14.345 -31.792 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -9.887 14.464 -33.335 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -10.829 15.851 -32.740 1.00 0.00 H new ATOM 553 N ARG A 96 -12.474 14.012 -38.093 1.00 0.00 N ATOM 554 CA ARG A 96 -12.503 14.483 -39.473 1.00 0.00 C ATOM 555 C ARG A 96 -13.749 13.975 -40.193 1.00 0.00 C ATOM 556 O ARG A 96 -14.392 14.715 -40.938 1.00 0.00 O ATOM 557 CB ARG A 96 -11.248 14.025 -40.217 1.00 0.00 C ATOM 558 CG ARG A 96 -10.605 15.117 -41.056 1.00 0.00 C ATOM 559 CD ARG A 96 -9.254 14.679 -41.601 1.00 0.00 C ATOM 560 NE ARG A 96 -8.171 14.951 -40.660 1.00 0.00 N ATOM 561 CZ ARG A 96 -7.744 16.173 -40.364 1.00 0.00 C ATOM 562 NH1 ARG A 96 -8.307 17.231 -40.932 1.00 0.00 N ATOM 563 NH2 ARG A 96 -6.753 16.340 -39.497 1.00 0.00 N ATOM 0 H ARG A 96 -11.797 13.270 -37.915 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.531 15.573 -39.459 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.520 13.659 -39.493 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.505 13.186 -40.863 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.265 15.378 -41.883 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.481 16.016 -40.452 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -9.281 13.612 -41.824 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -9.057 15.196 -42.540 1.00 0.00 H new ATOM 0 HE ARG A 96 -7.718 14.159 -40.205 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -9.070 17.107 -41.598 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -7.977 18.169 -40.703 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -6.318 15.529 -39.057 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -6.426 17.279 -39.271 1.00 0.00 H new ATOM 577 N ARG A 97 -14.083 12.709 -39.967 1.00 0.00 N ATOM 578 CA ARG A 97 -15.250 12.102 -40.596 1.00 0.00 C ATOM 579 C ARG A 97 -15.218 12.302 -42.108 1.00 0.00 C ATOM 580 O ARG A 97 -16.262 12.380 -42.757 1.00 0.00 O ATOM 581 CB ARG A 97 -16.534 12.699 -40.018 1.00 0.00 C ATOM 582 CG ARG A 97 -17.762 11.829 -40.236 1.00 0.00 C ATOM 583 CD ARG A 97 -18.768 11.993 -39.108 1.00 0.00 C ATOM 584 NE ARG A 97 -19.345 13.334 -39.080 1.00 0.00 N ATOM 585 CZ ARG A 97 -20.289 13.746 -39.918 1.00 0.00 C ATOM 586 NH1 ARG A 97 -20.761 12.925 -40.846 1.00 0.00 N ATOM 587 NH2 ARG A 97 -20.764 14.982 -39.829 1.00 0.00 N ATOM 0 H ARG A 97 -13.562 12.083 -39.353 1.00 0.00 H new ATOM 0 HA ARG A 97 -15.229 11.032 -40.389 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -16.400 12.862 -38.949 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -16.706 13.676 -40.470 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -18.231 12.091 -41.184 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -17.461 10.784 -40.307 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -19.565 11.258 -39.223 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -18.280 11.788 -38.155 1.00 0.00 H new ATOM 0 HE ARG A 97 -19.004 13.991 -38.378 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -20.399 11.974 -40.918 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -21.486 13.244 -41.488 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -20.404 15.617 -39.116 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -21.489 15.297 -40.473 1.00 0.00 H new ATOM 601 N LEU A 98 -14.014 12.384 -42.663 1.00 0.00 N ATOM 602 CA LEU A 98 -13.846 12.576 -44.100 1.00 0.00 C ATOM 603 C LEU A 98 -13.966 11.250 -44.844 1.00 0.00 C ATOM 604 O LEU A 98 -14.956 11.039 -45.543 1.00 0.00 O ATOM 605 CB LEU A 98 -12.488 13.217 -44.393 1.00 0.00 C ATOM 606 CG LEU A 98 -12.175 13.481 -45.866 1.00 0.00 C ATOM 607 CD1 LEU A 98 -11.386 12.324 -46.460 1.00 0.00 C ATOM 608 CD2 LEU A 98 -13.458 13.712 -46.651 1.00 0.00 C ATOM 0 H LEU A 98 -13.140 12.321 -42.141 1.00 0.00 H new ATOM 0 HA LEU A 98 -14.637 13.240 -44.448 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -12.432 14.163 -43.855 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -11.709 12.572 -43.986 1.00 0.00 H new ATOM 0 HG LEU A 98 -11.565 14.382 -45.932 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -11.172 12.530 -47.509 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.449 12.205 -45.916 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.970 11.407 -46.382 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -13.216 13.898 -47.697 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -14.094 12.830 -46.577 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -13.985 14.574 -46.242 1.00 0.00 H new TER 620 LEU A 98 ATOM 621 N ARG B 61 23.966 -3.901 -1.282 1.00 0.00 N ATOM 622 CA ARG B 61 23.028 -3.929 -0.166 1.00 0.00 C ATOM 623 C ARG B 61 21.866 -4.874 -0.457 1.00 0.00 C ATOM 624 O ARG B 61 21.417 -5.612 0.421 1.00 0.00 O ATOM 625 CB ARG B 61 22.496 -2.522 0.115 1.00 0.00 C ATOM 626 CG ARG B 61 23.587 -1.507 0.413 1.00 0.00 C ATOM 627 CD ARG B 61 24.118 -1.659 1.830 1.00 0.00 C ATOM 628 NE ARG B 61 25.150 -2.689 1.920 1.00 0.00 N ATOM 629 CZ ARG B 61 26.013 -2.779 2.926 1.00 0.00 C ATOM 630 NH1 ARG B 61 25.967 -1.906 3.923 1.00 0.00 N ATOM 631 NH2 ARG B 61 26.923 -3.745 2.936 1.00 0.00 N ATOM 0 HA ARG B 61 23.559 -4.293 0.714 1.00 0.00 H new ATOM 0 HB2 ARG B 61 21.920 -2.182 -0.746 1.00 0.00 H new ATOM 0 HB3 ARG B 61 21.810 -2.564 0.961 1.00 0.00 H new ATOM 0 HG2 ARG B 61 24.404 -1.630 -0.298 1.00 0.00 H new ATOM 0 HG3 ARG B 61 23.195 -0.499 0.276 1.00 0.00 H new ATOM 0 HD2 ARG B 61 24.526 -0.707 2.168 1.00 0.00 H new ATOM 0 HD3 ARG B 61 23.296 -1.910 2.500 1.00 0.00 H new ATOM 0 HE ARG B 61 25.211 -3.377 1.169 1.00 0.00 H new ATOM 0 HH11 ARG B 61 25.268 -1.163 3.919 1.00 0.00 H new ATOM 0 HH12 ARG B 61 26.631 -1.977 4.694 1.00 0.00 H new ATOM 0 HH21 ARG B 61 26.960 -4.419 2.171 1.00 0.00 H new ATOM 0 HH22 ARG B 61 27.585 -3.814 3.709 1.00 0.00 H new ATOM 645 N VAL B 62 21.382 -4.847 -1.695 1.00 0.00 N ATOM 646 CA VAL B 62 20.273 -5.702 -2.101 1.00 0.00 C ATOM 647 C VAL B 62 20.642 -6.537 -3.322 1.00 0.00 C ATOM 648 O VAL B 62 20.646 -6.040 -4.448 1.00 0.00 O ATOM 649 CB VAL B 62 19.014 -4.874 -2.421 1.00 0.00 C ATOM 650 CG1 VAL B 62 17.863 -5.785 -2.820 1.00 0.00 C ATOM 651 CG2 VAL B 62 18.631 -4.007 -1.231 1.00 0.00 C ATOM 0 H VAL B 62 21.741 -4.242 -2.434 1.00 0.00 H new ATOM 0 HA VAL B 62 20.060 -6.364 -1.262 1.00 0.00 H new ATOM 0 HB VAL B 62 19.235 -4.218 -3.263 1.00 0.00 H new ATOM 0 HG11 VAL B 62 16.982 -5.182 -3.042 1.00 0.00 H new ATOM 0 HG12 VAL B 62 18.143 -6.359 -3.704 1.00 0.00 H new ATOM 0 HG13 VAL B 62 17.638 -6.467 -2.000 1.00 0.00 H new ATOM 0 HG21 VAL B 62 17.740 -3.429 -1.474 1.00 0.00 H new ATOM 0 HG22 VAL B 62 18.428 -4.642 -0.369 1.00 0.00 H new ATOM 0 HG23 VAL B 62 19.451 -3.328 -0.996 1.00 0.00 H new ATOM 661 N GLN B 63 20.952 -7.809 -3.090 1.00 0.00 N ATOM 662 CA GLN B 63 21.323 -8.714 -4.172 1.00 0.00 C ATOM 663 C GLN B 63 20.097 -9.130 -4.978 1.00 0.00 C ATOM 664 O GLN B 63 18.992 -9.229 -4.442 1.00 0.00 O ATOM 665 CB GLN B 63 22.024 -9.952 -3.612 1.00 0.00 C ATOM 666 CG GLN B 63 22.873 -10.687 -4.637 1.00 0.00 C ATOM 667 CD GLN B 63 22.472 -12.141 -4.791 1.00 0.00 C ATOM 668 OE1 GLN B 63 22.034 -12.566 -5.861 1.00 0.00 O ATOM 669 NE2 GLN B 63 22.621 -12.914 -3.722 1.00 0.00 N ATOM 0 H GLN B 63 20.954 -8.236 -2.164 1.00 0.00 H new ATOM 0 HA GLN B 63 22.009 -8.186 -4.835 1.00 0.00 H new ATOM 0 HB2 GLN B 63 22.656 -9.654 -2.776 1.00 0.00 H new ATOM 0 HB3 GLN B 63 21.274 -10.636 -3.216 1.00 0.00 H new ATOM 0 HG2 GLN B 63 22.787 -10.186 -5.601 1.00 0.00 H new ATOM 0 HG3 GLN B 63 23.921 -10.632 -4.342 1.00 0.00 H new ATOM 0 HE21 GLN B 63 22.988 -12.521 -2.855 1.00 0.00 H new ATOM 0 HE22 GLN B 63 22.369 -13.901 -3.767 1.00 0.00 H new ATOM 678 N LEU B 64 20.298 -9.372 -6.269 1.00 0.00 N ATOM 679 CA LEU B 64 19.209 -9.777 -7.150 1.00 0.00 C ATOM 680 C LEU B 64 19.735 -10.589 -8.329 1.00 0.00 C ATOM 681 O LEU B 64 20.933 -10.588 -8.610 1.00 0.00 O ATOM 682 CB LEU B 64 18.454 -8.548 -7.659 1.00 0.00 C ATOM 683 CG LEU B 64 17.774 -7.689 -6.592 1.00 0.00 C ATOM 684 CD1 LEU B 64 17.261 -6.392 -7.199 1.00 0.00 C ATOM 685 CD2 LEU B 64 16.638 -8.457 -5.933 1.00 0.00 C ATOM 0 H LEU B 64 21.205 -9.295 -6.728 1.00 0.00 H new ATOM 0 HA LEU B 64 18.526 -10.404 -6.577 1.00 0.00 H new ATOM 0 HB2 LEU B 64 19.153 -7.920 -8.211 1.00 0.00 H new ATOM 0 HB3 LEU B 64 17.695 -8.880 -8.368 1.00 0.00 H new ATOM 0 HG LEU B 64 18.511 -7.443 -5.827 1.00 0.00 H new ATOM 0 HD11 LEU B 64 16.780 -5.793 -6.425 1.00 0.00 H new ATOM 0 HD12 LEU B 64 18.096 -5.834 -7.623 1.00 0.00 H new ATOM 0 HD13 LEU B 64 16.539 -6.618 -7.984 1.00 0.00 H new ATOM 0 HD21 LEU B 64 16.166 -7.830 -5.177 1.00 0.00 H new ATOM 0 HD22 LEU B 64 15.901 -8.734 -6.687 1.00 0.00 H new ATOM 0 HD23 LEU B 64 17.032 -9.358 -5.463 1.00 0.00 H new ATOM 697 N ALA B 65 18.831 -11.279 -9.017 1.00 0.00 N ATOM 698 CA ALA B 65 19.204 -12.091 -10.169 1.00 0.00 C ATOM 699 C ALA B 65 18.008 -12.327 -11.084 1.00 0.00 C ATOM 700 O ALA B 65 17.655 -13.469 -11.379 1.00 0.00 O ATOM 701 CB ALA B 65 19.791 -13.418 -9.711 1.00 0.00 C ATOM 0 H ALA B 65 17.835 -11.292 -8.797 1.00 0.00 H new ATOM 0 HA ALA B 65 19.960 -11.548 -10.736 1.00 0.00 H new ATOM 0 HB1 ALA B 65 20.065 -14.014 -10.581 1.00 0.00 H new ATOM 0 HB2 ALA B 65 20.677 -13.234 -9.104 1.00 0.00 H new ATOM 0 HB3 ALA B 65 19.052 -13.958 -9.119 1.00 0.00 H new ATOM 707 N HIS B 66 17.387 -11.240 -11.531 1.00 0.00 N ATOM 708 CA HIS B 66 16.229 -11.330 -12.414 1.00 0.00 C ATOM 709 C HIS B 66 16.655 -11.690 -13.834 1.00 0.00 C ATOM 710 O HIS B 66 16.533 -10.880 -14.754 1.00 0.00 O ATOM 711 CB HIS B 66 15.461 -10.007 -12.419 1.00 0.00 C ATOM 712 CG HIS B 66 14.325 -9.971 -11.445 1.00 0.00 C ATOM 713 ND1 HIS B 66 14.231 -10.824 -10.366 1.00 0.00 N ATOM 714 CD2 HIS B 66 13.231 -9.176 -11.390 1.00 0.00 C ATOM 715 CE1 HIS B 66 13.127 -10.557 -9.690 1.00 0.00 C ATOM 716 NE2 HIS B 66 12.503 -9.560 -10.291 1.00 0.00 N ATOM 0 H HIS B 66 17.666 -10.287 -11.297 1.00 0.00 H new ATOM 0 HA HIS B 66 15.577 -12.119 -12.038 1.00 0.00 H new ATOM 0 HB2 HIS B 66 16.151 -9.195 -12.190 1.00 0.00 H new ATOM 0 HB3 HIS B 66 15.075 -9.824 -13.422 1.00 0.00 H new ATOM 0 HD2 HIS B 66 12.978 -8.386 -12.082 1.00 0.00 H new ATOM 0 HE1 HIS B 66 12.792 -11.067 -8.799 1.00 0.00 H new ATOM 0 HE2 HIS B 66 11.623 -9.143 -9.988 1.00 0.00 H new ATOM 724 N HIS B 67 17.155 -12.909 -14.006 1.00 0.00 N ATOM 725 CA HIS B 67 17.600 -13.376 -15.314 1.00 0.00 C ATOM 726 C HIS B 67 16.481 -13.253 -16.344 1.00 0.00 C ATOM 727 O HIS B 67 16.463 -12.321 -17.148 1.00 0.00 O ATOM 728 CB HIS B 67 18.072 -14.828 -15.227 1.00 0.00 C ATOM 729 CG HIS B 67 19.526 -14.967 -14.899 1.00 0.00 C ATOM 730 ND1 HIS B 67 20.368 -15.836 -15.560 1.00 0.00 N ATOM 731 CD2 HIS B 67 20.289 -14.338 -13.974 1.00 0.00 C ATOM 732 CE1 HIS B 67 21.584 -15.738 -15.055 1.00 0.00 C ATOM 733 NE2 HIS B 67 21.563 -14.836 -14.091 1.00 0.00 N ATOM 0 H HIS B 67 17.262 -13.592 -13.256 1.00 0.00 H new ATOM 0 HA HIS B 67 18.433 -12.750 -15.632 1.00 0.00 H new ATOM 0 HB2 HIS B 67 17.486 -15.347 -14.469 1.00 0.00 H new ATOM 0 HB3 HIS B 67 17.874 -15.323 -16.177 1.00 0.00 H new ATOM 0 HD2 HIS B 67 19.957 -13.585 -13.275 1.00 0.00 H new ATOM 0 HE1 HIS B 67 22.449 -16.300 -15.376 1.00 0.00 H new ATOM 0 HE2 HIS B 67 22.364 -14.555 -13.525 1.00 0.00 H new ATOM 741 N PHE B 68 15.549 -14.200 -16.314 1.00 0.00 N ATOM 742 CA PHE B 68 14.427 -14.198 -17.246 1.00 0.00 C ATOM 743 C PHE B 68 13.211 -13.513 -16.631 1.00 0.00 C ATOM 744 O PHE B 68 12.491 -12.778 -17.308 1.00 0.00 O ATOM 745 CB PHE B 68 14.070 -15.630 -17.650 1.00 0.00 C ATOM 746 CG PHE B 68 13.996 -16.580 -16.488 1.00 0.00 C ATOM 747 CD1 PHE B 68 12.819 -16.728 -15.772 1.00 0.00 C ATOM 748 CD2 PHE B 68 15.103 -17.325 -16.114 1.00 0.00 C ATOM 749 CE1 PHE B 68 12.749 -17.600 -14.702 1.00 0.00 C ATOM 750 CE2 PHE B 68 15.038 -18.199 -15.045 1.00 0.00 C ATOM 751 CZ PHE B 68 13.859 -18.338 -14.339 1.00 0.00 C ATOM 0 H PHE B 68 15.548 -14.978 -15.655 1.00 0.00 H new ATOM 0 HA PHE B 68 14.725 -13.641 -18.134 1.00 0.00 H new ATOM 0 HB2 PHE B 68 13.110 -15.625 -18.166 1.00 0.00 H new ATOM 0 HB3 PHE B 68 14.812 -15.994 -18.360 1.00 0.00 H new ATOM 0 HD1 PHE B 68 11.947 -16.156 -16.053 1.00 0.00 H new ATOM 0 HD2 PHE B 68 16.027 -17.222 -16.664 1.00 0.00 H new ATOM 0 HE1 PHE B 68 11.827 -17.704 -14.150 1.00 0.00 H new ATOM 0 HE2 PHE B 68 15.908 -18.773 -14.762 1.00 0.00 H new ATOM 0 HZ PHE B 68 13.805 -19.022 -13.505 1.00 0.00 H new ATOM 761 N SER B 69 12.987 -13.760 -15.344 1.00 0.00 N ATOM 762 CA SER B 69 11.855 -13.171 -14.638 1.00 0.00 C ATOM 763 C SER B 69 10.567 -13.345 -15.437 1.00 0.00 C ATOM 764 O SER B 69 10.520 -14.108 -16.401 1.00 0.00 O ATOM 765 CB SER B 69 12.109 -11.685 -14.375 1.00 0.00 C ATOM 766 OG SER B 69 13.334 -11.490 -13.692 1.00 0.00 O ATOM 0 H SER B 69 13.574 -14.364 -14.769 1.00 0.00 H new ATOM 0 HA SER B 69 11.743 -13.688 -13.685 1.00 0.00 H new ATOM 0 HB2 SER B 69 12.126 -11.143 -15.321 1.00 0.00 H new ATOM 0 HB3 SER B 69 11.291 -11.272 -13.785 1.00 0.00 H new ATOM 0 HG SER B 69 13.372 -12.083 -12.912 1.00 0.00 H new ATOM 772 N GLU B 70 9.523 -12.631 -15.026 1.00 0.00 N ATOM 773 CA GLU B 70 8.233 -12.707 -15.703 1.00 0.00 C ATOM 774 C GLU B 70 8.381 -12.411 -17.192 1.00 0.00 C ATOM 775 O GLU B 70 9.389 -11.868 -17.646 1.00 0.00 O ATOM 776 CB GLU B 70 7.243 -11.726 -15.072 1.00 0.00 C ATOM 777 CG GLU B 70 6.242 -12.386 -14.139 1.00 0.00 C ATOM 778 CD GLU B 70 4.936 -11.621 -14.049 1.00 0.00 C ATOM 779 OE1 GLU B 70 4.473 -11.112 -15.091 1.00 0.00 O ATOM 780 OE2 GLU B 70 4.377 -11.531 -12.936 1.00 0.00 O ATOM 0 H GLU B 70 9.545 -11.995 -14.229 1.00 0.00 H new ATOM 0 HA GLU B 70 7.851 -13.721 -15.589 1.00 0.00 H new ATOM 0 HB2 GLU B 70 7.798 -10.969 -14.518 1.00 0.00 H new ATOM 0 HB3 GLU B 70 6.702 -11.209 -15.864 1.00 0.00 H new ATOM 0 HG2 GLU B 70 6.042 -13.400 -14.486 1.00 0.00 H new ATOM 0 HG3 GLU B 70 6.679 -12.470 -13.144 1.00 0.00 H new ATOM 787 N PRO B 71 7.354 -12.777 -17.973 1.00 0.00 N ATOM 788 CA PRO B 71 7.345 -12.562 -19.423 1.00 0.00 C ATOM 789 C PRO B 71 7.225 -11.086 -19.788 1.00 0.00 C ATOM 790 O PRO B 71 6.253 -10.425 -19.424 1.00 0.00 O ATOM 791 CB PRO B 71 6.106 -13.330 -19.888 1.00 0.00 C ATOM 792 CG PRO B 71 5.213 -13.367 -18.697 1.00 0.00 C ATOM 793 CD PRO B 71 6.121 -13.429 -17.500 1.00 0.00 C ATOM 0 HA PRO B 71 8.271 -12.897 -19.891 1.00 0.00 H new ATOM 0 HB2 PRO B 71 5.624 -12.831 -20.729 1.00 0.00 H new ATOM 0 HB3 PRO B 71 6.365 -14.335 -20.220 1.00 0.00 H new ATOM 0 HG2 PRO B 71 4.577 -12.483 -18.659 1.00 0.00 H new ATOM 0 HG3 PRO B 71 4.553 -14.234 -18.731 1.00 0.00 H new ATOM 0 HD2 PRO B 71 5.693 -12.907 -16.644 1.00 0.00 H new ATOM 0 HD3 PRO B 71 6.304 -14.457 -17.188 1.00 0.00 H new ATOM 801 N GLU B 72 8.218 -10.577 -20.510 1.00 0.00 N ATOM 802 CA GLU B 72 8.223 -9.179 -20.924 1.00 0.00 C ATOM 803 C GLU B 72 6.932 -8.825 -21.658 1.00 0.00 C ATOM 804 O GLU B 72 6.495 -7.674 -21.645 1.00 0.00 O ATOM 805 CB GLU B 72 9.427 -8.894 -21.824 1.00 0.00 C ATOM 806 CG GLU B 72 10.694 -8.556 -21.055 1.00 0.00 C ATOM 807 CD GLU B 72 11.953 -8.865 -21.841 1.00 0.00 C ATOM 808 OE1 GLU B 72 12.281 -8.090 -22.764 1.00 0.00 O ATOM 809 OE2 GLU B 72 12.610 -9.882 -21.535 1.00 0.00 O ATOM 0 H GLU B 72 9.029 -11.112 -20.820 1.00 0.00 H new ATOM 0 HA GLU B 72 8.294 -8.562 -20.028 1.00 0.00 H new ATOM 0 HB2 GLU B 72 9.615 -9.765 -22.453 1.00 0.00 H new ATOM 0 HB3 GLU B 72 9.184 -8.066 -22.490 1.00 0.00 H new ATOM 0 HG2 GLU B 72 10.684 -7.498 -20.793 1.00 0.00 H new ATOM 0 HG3 GLU B 72 10.707 -9.116 -20.120 1.00 0.00 H new ATOM 816 N ILE B 73 6.328 -9.822 -22.295 1.00 0.00 N ATOM 817 CA ILE B 73 5.088 -9.616 -23.033 1.00 0.00 C ATOM 818 C ILE B 73 4.064 -8.865 -22.188 1.00 0.00 C ATOM 819 O ILE B 73 3.513 -7.850 -22.617 1.00 0.00 O ATOM 820 CB ILE B 73 4.476 -10.954 -23.490 1.00 0.00 C ATOM 821 CG1 ILE B 73 5.484 -11.738 -24.333 1.00 0.00 C ATOM 822 CG2 ILE B 73 3.196 -10.710 -24.276 1.00 0.00 C ATOM 823 CD1 ILE B 73 5.962 -10.988 -25.557 1.00 0.00 C ATOM 0 H ILE B 73 6.677 -10.780 -22.315 1.00 0.00 H new ATOM 0 HA ILE B 73 5.339 -9.021 -23.911 1.00 0.00 H new ATOM 0 HB ILE B 73 4.230 -11.545 -22.608 1.00 0.00 H new ATOM 0 HG12 ILE B 73 6.344 -11.991 -23.713 1.00 0.00 H new ATOM 0 HG13 ILE B 73 5.030 -12.678 -24.647 1.00 0.00 H new ATOM 0 HG21 ILE B 73 2.775 -11.665 -24.592 1.00 0.00 H new ATOM 0 HG22 ILE B 73 2.476 -10.187 -23.646 1.00 0.00 H new ATOM 0 HG23 ILE B 73 3.418 -10.103 -25.154 1.00 0.00 H new ATOM 0 HD11 ILE B 73 6.674 -11.604 -26.106 1.00 0.00 H new ATOM 0 HD12 ILE B 73 5.111 -10.758 -26.198 1.00 0.00 H new ATOM 0 HD13 ILE B 73 6.446 -10.061 -25.250 1.00 0.00 H new ATOM 835 N THR B 74 3.814 -9.369 -20.984 1.00 0.00 N ATOM 836 CA THR B 74 2.857 -8.746 -20.078 1.00 0.00 C ATOM 837 C THR B 74 3.121 -7.250 -19.943 1.00 0.00 C ATOM 838 O THR B 74 2.203 -6.435 -20.049 1.00 0.00 O ATOM 839 CB THR B 74 2.903 -9.391 -18.680 1.00 0.00 C ATOM 840 OG1 THR B 74 2.652 -10.797 -18.782 1.00 0.00 O ATOM 841 CG2 THR B 74 1.879 -8.753 -17.755 1.00 0.00 C ATOM 0 H THR B 74 4.261 -10.207 -20.613 1.00 0.00 H new ATOM 0 HA THR B 74 1.868 -8.901 -20.509 1.00 0.00 H new ATOM 0 HB THR B 74 3.896 -9.229 -18.261 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.685 -11.201 -17.890 1.00 0.00 H new ATOM 0 HG21 THR B 74 1.931 -9.225 -16.774 1.00 0.00 H new ATOM 0 HG22 THR B 74 2.091 -7.688 -17.657 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.880 -8.887 -18.170 1.00 0.00 H new ATOM 849 N LEU B 75 4.380 -6.895 -19.710 1.00 0.00 N ATOM 850 CA LEU B 75 4.765 -5.496 -19.562 1.00 0.00 C ATOM 851 C LEU B 75 4.352 -4.685 -20.786 1.00 0.00 C ATOM 852 O LEU B 75 3.753 -3.616 -20.661 1.00 0.00 O ATOM 853 CB LEU B 75 6.275 -5.383 -19.347 1.00 0.00 C ATOM 854 CG LEU B 75 6.819 -6.010 -18.063 1.00 0.00 C ATOM 855 CD1 LEU B 75 8.339 -5.961 -18.048 1.00 0.00 C ATOM 856 CD2 LEU B 75 6.249 -5.304 -16.842 1.00 0.00 C ATOM 0 H LEU B 75 5.151 -7.556 -19.620 1.00 0.00 H new ATOM 0 HA LEU B 75 4.249 -5.093 -18.691 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.778 -5.847 -20.195 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.545 -4.327 -19.355 1.00 0.00 H new ATOM 0 HG LEU B 75 6.509 -7.055 -18.032 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.708 -6.412 -17.127 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.729 -6.512 -18.904 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.670 -4.924 -18.103 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.647 -5.763 -15.937 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.528 -4.251 -16.867 1.00 0.00 H new ATOM 0 HD23 LEU B 75 5.163 -5.391 -16.845 1.00 0.00 H new ATOM 868 N ILE B 76 4.673 -5.201 -21.968 1.00 0.00 N ATOM 869 CA ILE B 76 4.332 -4.526 -23.214 1.00 0.00 C ATOM 870 C ILE B 76 2.833 -4.257 -23.301 1.00 0.00 C ATOM 871 O ILE B 76 2.409 -3.155 -23.650 1.00 0.00 O ATOM 872 CB ILE B 76 4.766 -5.353 -24.439 1.00 0.00 C ATOM 873 CG1 ILE B 76 6.251 -5.709 -24.341 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.483 -4.586 -25.722 1.00 0.00 C ATOM 875 CD1 ILE B 76 7.164 -4.503 -24.363 1.00 0.00 C ATOM 0 H ILE B 76 5.169 -6.084 -22.089 1.00 0.00 H new ATOM 0 HA ILE B 76 4.870 -3.578 -23.217 1.00 0.00 H new ATOM 0 HB ILE B 76 4.190 -6.278 -24.457 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.422 -6.268 -23.421 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.514 -6.369 -25.168 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.795 -5.183 -26.579 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.415 -4.378 -25.794 1.00 0.00 H new ATOM 0 HG23 ILE B 76 5.036 -3.647 -25.714 1.00 0.00 H new ATOM 0 HD11 ILE B 76 8.201 -4.830 -24.290 1.00 0.00 H new ATOM 0 HD12 ILE B 76 7.021 -3.955 -25.295 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.929 -3.853 -23.520 1.00 0.00 H new ATOM 887 N ILE B 77 2.036 -5.271 -22.980 1.00 0.00 N ATOM 888 CA ILE B 77 0.585 -5.143 -23.020 1.00 0.00 C ATOM 889 C ILE B 77 0.095 -4.125 -21.995 1.00 0.00 C ATOM 890 O ILE B 77 -0.678 -3.224 -22.321 1.00 0.00 O ATOM 891 CB ILE B 77 -0.107 -6.494 -22.756 1.00 0.00 C ATOM 892 CG1 ILE B 77 0.333 -7.528 -23.794 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.619 -6.327 -22.775 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.428 -8.832 -23.708 1.00 0.00 C ATOM 0 H ILE B 77 2.371 -6.190 -22.690 1.00 0.00 H new ATOM 0 HA ILE B 77 0.326 -4.801 -24.022 1.00 0.00 H new ATOM 0 HB ILE B 77 0.187 -6.850 -21.769 1.00 0.00 H new ATOM 0 HG12 ILE B 77 0.205 -7.107 -24.791 1.00 0.00 H new ATOM 0 HG13 ILE B 77 1.397 -7.728 -23.667 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.094 -7.290 -22.587 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -1.917 -5.619 -22.002 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -1.931 -5.953 -23.750 1.00 0.00 H new ATOM 0 HD11 ILE B 77 -0.063 -9.517 -24.473 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -0.280 -9.276 -22.723 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -1.490 -8.644 -23.865 1.00 0.00 H new ATOM 906 N PHE B 78 0.550 -4.275 -20.756 1.00 0.00 N ATOM 907 CA PHE B 78 0.159 -3.368 -19.683 1.00 0.00 C ATOM 908 C PHE B 78 0.447 -1.919 -20.063 1.00 0.00 C ATOM 909 O PHE B 78 -0.405 -1.044 -19.911 1.00 0.00 O ATOM 910 CB PHE B 78 0.897 -3.724 -18.391 1.00 0.00 C ATOM 911 CG PHE B 78 0.762 -2.683 -17.317 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.283 -2.738 -16.408 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.679 -1.650 -17.215 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.411 -1.782 -15.418 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.557 -0.691 -16.227 1.00 0.00 C ATOM 916 CZ PHE B 78 0.510 -0.757 -15.328 1.00 0.00 C ATOM 0 H PHE B 78 1.190 -5.016 -20.470 1.00 0.00 H new ATOM 0 HA PHE B 78 -0.914 -3.477 -19.523 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.517 -4.674 -18.015 1.00 0.00 H new ATOM 0 HB3 PHE B 78 1.954 -3.869 -18.614 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -1.006 -3.538 -16.474 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.499 -1.593 -17.916 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.230 -1.837 -14.716 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.279 0.109 -16.158 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.412 -0.008 -14.556 1.00 0.00 H new ATOM 926 N GLY B 79 1.655 -1.672 -20.560 1.00 0.00 N ATOM 927 CA GLY B 79 2.036 -0.328 -20.954 1.00 0.00 C ATOM 928 C GLY B 79 1.084 0.268 -21.972 1.00 0.00 C ATOM 929 O GLY B 79 0.527 1.345 -21.757 1.00 0.00 O ATOM 0 H GLY B 79 2.377 -2.379 -20.697 1.00 0.00 H new ATOM 0 HA2 GLY B 79 2.067 0.311 -20.072 1.00 0.00 H new ATOM 0 HA3 GLY B 79 3.043 -0.346 -21.370 1.00 0.00 H new ATOM 933 N VAL B 80 0.898 -0.432 -23.087 1.00 0.00 N ATOM 934 CA VAL B 80 0.008 0.035 -24.143 1.00 0.00 C ATOM 935 C VAL B 80 -1.422 0.178 -23.634 1.00 0.00 C ATOM 936 O VAL B 80 -2.157 1.067 -24.060 1.00 0.00 O ATOM 937 CB VAL B 80 0.019 -0.922 -25.350 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.863 -0.383 -26.466 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.442 -1.142 -25.842 1.00 0.00 C ATOM 0 H VAL B 80 1.352 -1.324 -23.282 1.00 0.00 H new ATOM 0 HA VAL B 80 0.377 1.011 -24.459 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.384 -1.884 -25.033 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.843 -1.072 -27.310 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.886 -0.282 -26.104 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.493 0.592 -26.784 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.431 -1.821 -26.695 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.875 -0.188 -26.143 1.00 0.00 H new ATOM 0 HG23 VAL B 80 2.041 -1.575 -25.041 1.00 0.00 H new ATOM 949 N MET B 81 -1.809 -0.705 -22.719 1.00 0.00 N ATOM 950 CA MET B 81 -3.151 -0.676 -22.150 1.00 0.00 C ATOM 951 C MET B 81 -3.367 0.591 -21.329 1.00 0.00 C ATOM 952 O MET B 81 -4.411 1.234 -21.427 1.00 0.00 O ATOM 953 CB MET B 81 -3.384 -1.910 -21.275 1.00 0.00 C ATOM 954 CG MET B 81 -3.661 -3.175 -22.070 1.00 0.00 C ATOM 955 SD MET B 81 -5.409 -3.378 -22.465 1.00 0.00 S ATOM 956 CE MET B 81 -5.306 -4.359 -23.960 1.00 0.00 C ATOM 0 H MET B 81 -1.213 -1.449 -22.356 1.00 0.00 H new ATOM 0 HA MET B 81 -3.867 -0.681 -22.972 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.508 -2.070 -20.646 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.224 -1.719 -20.608 1.00 0.00 H new ATOM 0 HG2 MET B 81 -3.084 -3.152 -22.994 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.318 -4.039 -21.501 1.00 0.00 H new ATOM 0 HE1 MET B 81 -6.310 -4.568 -24.328 1.00 0.00 H new ATOM 0 HE2 MET B 81 -4.749 -3.809 -24.718 1.00 0.00 H new ATOM 0 HE3 MET B 81 -4.796 -5.298 -23.745 1.00 0.00 H new ATOM 966 N ALA B 82 -2.372 0.944 -20.522 1.00 0.00 N ATOM 967 CA ALA B 82 -2.453 2.136 -19.686 1.00 0.00 C ATOM 968 C ALA B 82 -2.478 3.402 -20.536 1.00 0.00 C ATOM 969 O ALA B 82 -3.291 4.297 -20.311 1.00 0.00 O ATOM 970 CB ALA B 82 -1.287 2.176 -18.710 1.00 0.00 C ATOM 0 H ALA B 82 -1.501 0.422 -20.429 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.384 2.091 -19.121 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.360 3.071 -18.092 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.315 1.292 -18.073 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.349 2.194 -19.265 1.00 0.00 H new ATOM 976 N GLY B 83 -1.580 3.470 -21.514 1.00 0.00 N ATOM 977 CA GLY B 83 -1.515 4.631 -22.382 1.00 0.00 C ATOM 978 C GLY B 83 -2.778 4.813 -23.202 1.00 0.00 C ATOM 979 O GLY B 83 -3.383 5.885 -23.194 1.00 0.00 O ATOM 0 H GLY B 83 -0.896 2.742 -21.721 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.345 5.523 -21.779 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.661 4.532 -23.052 1.00 0.00 H new ATOM 983 N VAL B 84 -3.176 3.763 -23.913 1.00 0.00 N ATOM 984 CA VAL B 84 -4.374 3.812 -24.742 1.00 0.00 C ATOM 985 C VAL B 84 -5.586 4.260 -23.932 1.00 0.00 C ATOM 986 O VAL B 84 -6.223 5.264 -24.253 1.00 0.00 O ATOM 987 CB VAL B 84 -4.674 2.441 -25.376 1.00 0.00 C ATOM 988 CG1 VAL B 84 -6.031 2.454 -26.063 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.576 2.056 -26.357 1.00 0.00 C ATOM 0 H VAL B 84 -2.686 2.868 -23.931 1.00 0.00 H new ATOM 0 HA VAL B 84 -4.181 4.536 -25.533 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.702 1.693 -24.583 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.225 1.476 -26.505 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.807 2.682 -25.332 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -6.035 3.213 -26.845 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.804 1.085 -26.796 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.514 2.805 -27.146 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.622 2.002 -25.833 1.00 0.00 H new ATOM 999 N ILE B 85 -5.898 3.510 -22.880 1.00 0.00 N ATOM 1000 CA ILE B 85 -7.032 3.831 -22.023 1.00 0.00 C ATOM 1001 C ILE B 85 -6.927 5.253 -21.483 1.00 0.00 C ATOM 1002 O ILE B 85 -7.924 5.968 -21.389 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.139 2.851 -20.840 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.383 1.429 -21.348 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.251 3.280 -19.895 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -8.720 1.254 -22.035 1.00 0.00 C ATOM 0 H ILE B 85 -5.381 2.676 -22.601 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.927 3.744 -22.638 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.198 2.864 -20.291 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -6.588 1.159 -22.043 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -7.321 0.736 -20.509 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.314 2.577 -19.064 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -8.038 4.278 -19.511 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.200 3.293 -20.432 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -8.825 0.222 -22.369 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -9.522 1.493 -21.336 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -8.777 1.921 -22.895 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.711 5.658 -21.129 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.497 6.994 -20.603 1.00 0.00 C ATOM 1020 C GLY B 86 -5.909 8.075 -21.583 1.00 0.00 C ATOM 1021 O GLY B 86 -6.680 8.972 -21.242 1.00 0.00 O ATOM 0 H GLY B 86 -4.870 5.085 -21.197 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -6.062 7.112 -19.678 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -4.444 7.118 -20.352 1.00 0.00 H new ATOM 1025 N THR B 87 -5.392 7.991 -22.805 1.00 0.00 N ATOM 1026 CA THR B 87 -5.708 8.971 -23.837 1.00 0.00 C ATOM 1027 C THR B 87 -7.211 9.048 -24.081 1.00 0.00 C ATOM 1028 O THR B 87 -7.773 10.136 -24.211 1.00 0.00 O ATOM 1029 CB THR B 87 -5.000 8.638 -25.164 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.666 8.187 -24.907 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.963 9.854 -26.077 1.00 0.00 C ATOM 0 H THR B 87 -4.753 7.255 -23.104 1.00 0.00 H new ATOM 0 HA THR B 87 -5.352 9.936 -23.476 1.00 0.00 H new ATOM 0 HB THR B 87 -5.561 7.847 -25.662 1.00 0.00 H new ATOM 0 HG1 THR B 87 -3.166 8.892 -24.445 1.00 0.00 H new ATOM 0 HG21 THR B 87 -4.458 9.595 -27.008 1.00 0.00 H new ATOM 0 HG22 THR B 87 -5.981 10.177 -26.294 1.00 0.00 H new ATOM 0 HG23 THR B 87 -4.423 10.663 -25.584 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.856 7.888 -24.141 1.00 0.00 N ATOM 1040 CA ILE B 88 -9.294 7.825 -24.368 1.00 0.00 C ATOM 1041 C ILE B 88 -10.050 8.653 -23.334 1.00 0.00 C ATOM 1042 O ILE B 88 -10.879 9.495 -23.683 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.808 6.374 -24.322 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -9.109 5.528 -25.388 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -11.317 6.340 -24.517 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -9.106 4.047 -25.079 1.00 0.00 C ATOM 0 H ILE B 88 -7.405 6.979 -24.036 1.00 0.00 H new ATOM 0 HA ILE B 88 -9.475 8.235 -25.362 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.578 5.954 -23.343 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -9.600 5.690 -26.348 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -8.080 5.871 -25.495 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.665 5.308 -24.482 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.799 6.913 -23.725 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.569 6.775 -25.484 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -8.594 3.510 -25.877 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -8.589 3.873 -24.135 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -10.133 3.689 -25.002 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.758 8.409 -22.061 1.00 0.00 N ATOM 1059 CA LEU B 89 -10.409 9.134 -20.975 1.00 0.00 C ATOM 1060 C LEU B 89 -10.213 10.639 -21.131 1.00 0.00 C ATOM 1061 O LEU B 89 -11.178 11.405 -21.123 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.857 8.673 -19.625 1.00 0.00 C ATOM 1063 CG LEU B 89 -10.345 7.312 -19.130 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -9.302 6.665 -18.232 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.670 7.455 -18.395 1.00 0.00 C ATOM 0 H LEU B 89 -9.075 7.715 -21.756 1.00 0.00 H new ATOM 0 HA LEU B 89 -11.477 8.919 -21.016 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.769 8.645 -19.690 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -10.112 9.422 -18.876 1.00 0.00 H new ATOM 0 HG LEU B 89 -10.500 6.667 -19.995 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.667 5.697 -17.889 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -8.376 6.527 -18.791 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -9.114 7.307 -17.372 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -12.002 6.476 -18.050 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.542 8.117 -17.539 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -12.417 7.874 -19.069 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.960 11.055 -21.274 1.00 0.00 N ATOM 1078 CA LEU B 90 -8.637 12.469 -21.434 1.00 0.00 C ATOM 1079 C LEU B 90 -9.365 13.061 -22.637 1.00 0.00 C ATOM 1080 O LEU B 90 -9.998 14.113 -22.536 1.00 0.00 O ATOM 1081 CB LEU B 90 -7.127 12.653 -21.596 1.00 0.00 C ATOM 1082 CG LEU B 90 -6.280 12.373 -20.354 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -4.881 11.929 -20.751 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -6.218 13.606 -19.463 1.00 0.00 C ATOM 0 H LEU B 90 -8.151 10.434 -21.283 1.00 0.00 H new ATOM 0 HA LEU B 90 -8.966 12.995 -20.538 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -6.786 12.000 -22.399 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -6.938 13.678 -21.917 1.00 0.00 H new ATOM 0 HG LEU B 90 -6.749 11.565 -19.792 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -4.293 11.734 -19.854 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -4.944 11.019 -21.348 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -4.402 12.715 -21.336 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -5.611 13.389 -18.584 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -5.773 14.433 -20.016 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -7.226 13.880 -19.150 1.00 0.00 H new ATOM 1096 N ILE B 91 -9.272 12.378 -23.773 1.00 0.00 N ATOM 1097 CA ILE B 91 -9.924 12.835 -24.994 1.00 0.00 C ATOM 1098 C ILE B 91 -11.415 13.063 -24.768 1.00 0.00 C ATOM 1099 O ILE B 91 -11.955 14.109 -25.127 1.00 0.00 O ATOM 1100 CB ILE B 91 -9.738 11.826 -26.142 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -8.267 11.759 -26.558 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -10.612 12.207 -27.328 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -7.884 10.451 -27.214 1.00 0.00 C ATOM 0 H ILE B 91 -8.752 11.506 -23.873 1.00 0.00 H new ATOM 0 HA ILE B 91 -9.453 13.778 -25.270 1.00 0.00 H new ATOM 0 HB ILE B 91 -10.043 10.840 -25.792 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -8.055 12.577 -27.246 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -7.642 11.912 -25.678 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -10.470 11.485 -28.132 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -11.658 12.209 -27.023 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -10.335 13.201 -27.680 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -6.828 10.474 -27.482 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -8.064 9.630 -26.520 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -8.484 10.305 -28.113 1.00 0.00 H new ATOM 1115 N SER B 92 -12.075 12.076 -24.170 1.00 0.00 N ATOM 1116 CA SER B 92 -13.505 12.168 -23.898 1.00 0.00 C ATOM 1117 C SER B 92 -13.824 13.420 -23.087 1.00 0.00 C ATOM 1118 O SER B 92 -14.903 13.999 -23.218 1.00 0.00 O ATOM 1119 CB SER B 92 -13.983 10.924 -23.146 1.00 0.00 C ATOM 1120 OG SER B 92 -13.846 11.091 -21.745 1.00 0.00 O ATOM 0 H SER B 92 -11.643 11.204 -23.865 1.00 0.00 H new ATOM 0 HA SER B 92 -14.028 12.231 -24.852 1.00 0.00 H new ATOM 0 HB2 SER B 92 -15.026 10.725 -23.391 1.00 0.00 H new ATOM 0 HB3 SER B 92 -13.408 10.056 -23.470 1.00 0.00 H new ATOM 0 HG SER B 92 -12.897 11.058 -21.503 1.00 0.00 H new ATOM 1126 N TYR B 93 -12.879 13.832 -22.250 1.00 0.00 N ATOM 1127 CA TYR B 93 -13.059 15.014 -21.416 1.00 0.00 C ATOM 1128 C TYR B 93 -12.981 16.288 -22.251 1.00 0.00 C ATOM 1129 O TYR B 93 -13.694 17.257 -21.995 1.00 0.00 O ATOM 1130 CB TYR B 93 -12.003 15.050 -20.310 1.00 0.00 C ATOM 1131 CG TYR B 93 -12.516 14.584 -18.967 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -13.647 15.155 -18.397 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -11.869 13.573 -18.267 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -14.119 14.733 -17.169 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -12.335 13.143 -17.039 1.00 0.00 C ATOM 1136 CZ TYR B 93 -13.460 13.726 -16.494 1.00 0.00 C ATOM 1137 OH TYR B 93 -13.927 13.302 -15.271 1.00 0.00 O ATOM 0 H TYR B 93 -11.980 13.365 -22.131 1.00 0.00 H new ATOM 0 HA TYR B 93 -14.049 14.959 -20.962 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -11.160 14.425 -20.604 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -11.626 16.068 -20.212 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -14.166 15.942 -18.923 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -10.987 13.115 -18.690 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -14.999 15.189 -16.740 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -11.821 12.355 -16.509 1.00 0.00 H new ATOM 0 HH TYR B 93 -13.350 12.587 -14.931 1.00 0.00 H new ATOM 1147 N GLY B 94 -12.107 16.278 -23.254 1.00 0.00 N ATOM 1148 CA GLY B 94 -11.951 17.437 -24.113 1.00 0.00 C ATOM 1149 C GLY B 94 -13.194 17.724 -24.931 1.00 0.00 C ATOM 1150 O GLY B 94 -13.542 18.883 -25.158 1.00 0.00 O ATOM 0 H GLY B 94 -11.505 15.488 -23.486 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -11.712 18.308 -23.503 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -11.107 17.277 -24.784 1.00 0.00 H new ATOM 1154 N ILE B 95 -13.864 16.667 -25.377 1.00 0.00 N ATOM 1155 CA ILE B 95 -15.075 16.812 -26.175 1.00 0.00 C ATOM 1156 C ILE B 95 -16.196 17.451 -25.363 1.00 0.00 C ATOM 1157 O ILE B 95 -17.036 18.170 -25.903 1.00 0.00 O ATOM 1158 CB ILE B 95 -15.559 15.453 -26.717 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -14.475 14.810 -27.584 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -16.846 15.626 -27.509 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -14.061 15.662 -28.764 1.00 0.00 C ATOM 0 H ILE B 95 -13.589 15.701 -25.199 1.00 0.00 H new ATOM 0 HA ILE B 95 -14.823 17.460 -27.015 1.00 0.00 H new ATOM 0 HB ILE B 95 -15.761 14.793 -25.873 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -13.600 14.608 -26.967 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -14.836 13.848 -27.949 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -17.175 14.657 -27.885 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -17.617 16.045 -26.863 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -16.669 16.300 -28.347 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -13.290 15.144 -29.334 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -14.925 15.843 -29.403 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -13.669 16.614 -28.406 1.00 0.00 H new ATOM 1173 N ARG B 96 -16.202 17.184 -24.061 1.00 0.00 N ATOM 1174 CA ARG B 96 -17.219 17.733 -23.173 1.00 0.00 C ATOM 1175 C ARG B 96 -16.960 19.212 -22.898 1.00 0.00 C ATOM 1176 O ARG B 96 -17.885 20.025 -22.900 1.00 0.00 O ATOM 1177 CB ARG B 96 -17.250 16.957 -21.855 1.00 0.00 C ATOM 1178 CG ARG B 96 -18.644 16.807 -21.268 1.00 0.00 C ATOM 1179 CD ARG B 96 -19.055 18.046 -20.487 1.00 0.00 C ATOM 1180 NE ARG B 96 -19.976 17.726 -19.400 1.00 0.00 N ATOM 1181 CZ ARG B 96 -19.609 17.107 -18.283 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -18.346 16.744 -18.107 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -20.507 16.852 -17.339 1.00 0.00 N ATOM 0 H ARG B 96 -15.514 16.591 -23.598 1.00 0.00 H new ATOM 0 HA ARG B 96 -18.186 17.636 -23.667 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -16.825 15.966 -22.017 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -16.613 17.463 -21.130 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -19.360 16.626 -22.070 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -18.673 15.936 -20.613 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -18.167 18.529 -20.080 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -19.525 18.761 -21.162 1.00 0.00 H new ATOM 0 HE ARG B 96 -20.955 17.992 -19.504 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -17.654 16.940 -18.830 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -18.067 16.269 -17.249 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -21.479 17.131 -17.471 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -20.225 16.377 -16.482 1.00 0.00 H new ATOM 1197 N ARG B 97 -15.697 19.552 -22.663 1.00 0.00 N ATOM 1198 CA ARG B 97 -15.317 20.932 -22.385 1.00 0.00 C ATOM 1199 C ARG B 97 -16.169 21.515 -21.261 1.00 0.00 C ATOM 1200 O ARG B 97 -16.419 22.720 -21.218 1.00 0.00 O ATOM 1201 CB ARG B 97 -15.462 21.787 -23.645 1.00 0.00 C ATOM 1202 CG ARG B 97 -14.712 23.107 -23.575 1.00 0.00 C ATOM 1203 CD ARG B 97 -13.289 22.966 -24.091 1.00 0.00 C ATOM 1204 NE ARG B 97 -12.749 24.239 -24.563 1.00 0.00 N ATOM 1205 CZ ARG B 97 -11.631 24.345 -25.272 1.00 0.00 C ATOM 1206 NH1 ARG B 97 -10.938 23.261 -25.590 1.00 0.00 N ATOM 1207 NH2 ARG B 97 -11.205 25.539 -25.666 1.00 0.00 N ATOM 0 H ARG B 97 -14.920 18.891 -22.660 1.00 0.00 H new ATOM 0 HA ARG B 97 -14.274 20.938 -22.068 1.00 0.00 H new ATOM 0 HB2 ARG B 97 -15.101 21.219 -24.503 1.00 0.00 H new ATOM 0 HB3 ARG B 97 -16.519 21.988 -23.818 1.00 0.00 H new ATOM 0 HG2 ARG B 97 -15.240 23.859 -24.162 1.00 0.00 H new ATOM 0 HG3 ARG B 97 -14.693 23.462 -22.545 1.00 0.00 H new ATOM 0 HD2 ARG B 97 -12.653 22.574 -23.297 1.00 0.00 H new ATOM 0 HD3 ARG B 97 -13.268 22.240 -24.904 1.00 0.00 H new ATOM 0 HE ARG B 97 -13.258 25.093 -24.336 1.00 0.00 H new ATOM 0 HH11 ARG B 97 -11.263 22.342 -25.290 1.00 0.00 H new ATOM 0 HH12 ARG B 97 -10.080 23.346 -26.135 1.00 0.00 H new ATOM 0 HH21 ARG B 97 -11.736 26.375 -25.424 1.00 0.00 H new ATOM 0 HH22 ARG B 97 -10.346 25.620 -26.210 1.00 0.00 H new ATOM 1221 N LEU B 98 -16.612 20.652 -20.353 1.00 0.00 N ATOM 1222 CA LEU B 98 -17.437 21.081 -19.229 1.00 0.00 C ATOM 1223 C LEU B 98 -18.618 21.919 -19.707 1.00 0.00 C ATOM 1224 O LEU B 98 -19.737 21.421 -19.828 1.00 0.00 O ATOM 1225 CB LEU B 98 -16.598 21.883 -18.232 1.00 0.00 C ATOM 1226 CG LEU B 98 -17.322 22.353 -16.970 1.00 0.00 C ATOM 1227 CD1 LEU B 98 -16.369 22.379 -15.786 1.00 0.00 C ATOM 1228 CD2 LEU B 98 -17.940 23.726 -17.191 1.00 0.00 C ATOM 0 H LEU B 98 -16.414 19.652 -20.373 1.00 0.00 H new ATOM 0 HA LEU B 98 -17.825 20.190 -18.735 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -15.746 21.273 -17.932 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -16.199 22.758 -18.745 1.00 0.00 H new ATOM 0 HG LEU B 98 -18.123 21.647 -16.749 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -16.902 22.716 -14.897 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -15.974 21.378 -15.615 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -15.546 23.062 -15.996 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -18.451 24.045 -16.283 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -17.156 24.442 -17.437 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -18.656 23.675 -18.012 1.00 0.00 H new TER 1240 LEU B 98