USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=11 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=-0.00687 K(o=-0.0069,f=-1.5) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HE2:sc= 0.0143 X(o=0.014,f=-0.12) USER MOD Single : A 69 SER OG : rot 17:sc= 0.856 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= -2.11! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= -1.31 USER MOD Single : B 63 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : B 66 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.14) USER MOD Single : B 67 HIS : no HD1:sc= 0 X(o=0,f=-0.088) USER MOD Single : B 69 SER OG : rot 180:sc= 0.268 USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 THR OG1 : rot -37:sc= -2.69! USER MOD Single : B 92 SER OG : rot -64:sc= 1.22 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 61 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA ARG A 61 2.093 0.000 -1.242 1.00 0.00 C ATOM 3 C ARG A 61 3.521 0.482 -1.002 1.00 0.00 C ATOM 4 O ARG A 61 4.008 1.380 -1.688 1.00 0.00 O ATOM 5 CB ARG A 61 1.412 0.889 -2.284 1.00 0.00 C ATOM 6 CG ARG A 61 0.161 0.271 -2.887 1.00 0.00 C ATOM 7 CD ARG A 61 -0.173 0.893 -4.234 1.00 0.00 C ATOM 8 NE ARG A 61 -1.046 2.056 -4.099 1.00 0.00 N ATOM 9 CZ ARG A 61 -2.347 1.972 -3.839 1.00 0.00 C ATOM 10 NH1 ARG A 61 -2.921 0.787 -3.688 1.00 0.00 N ATOM 11 NH2 ARG A 61 -3.075 3.076 -3.730 1.00 0.00 N ATOM 0 HA ARG A 61 2.131 -1.023 -1.616 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.150 1.841 -1.822 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.121 1.107 -3.083 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.305 -0.803 -3.006 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.678 0.406 -2.205 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.749 1.188 -4.735 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.656 0.149 -4.867 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.635 2.983 -4.210 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.364 -0.064 -3.771 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.919 0.726 -3.489 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.636 3.990 -3.846 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.073 3.011 -3.531 1.00 0.00 H new ATOM 25 N VAL A 62 4.187 -0.122 -0.022 1.00 0.00 N ATOM 26 CA VAL A 62 5.559 0.244 0.309 1.00 0.00 C ATOM 27 C VAL A 62 6.551 -0.746 -0.289 1.00 0.00 C ATOM 28 O VAL A 62 6.350 -1.958 -0.223 1.00 0.00 O ATOM 29 CB VAL A 62 5.770 0.310 1.833 1.00 0.00 C ATOM 30 CG1 VAL A 62 5.447 -1.031 2.475 1.00 0.00 C ATOM 31 CG2 VAL A 62 7.195 0.735 2.155 1.00 0.00 C ATOM 0 H VAL A 62 3.798 -0.867 0.556 1.00 0.00 H new ATOM 0 HA VAL A 62 5.735 1.232 -0.117 1.00 0.00 H new ATOM 0 HB VAL A 62 5.091 1.056 2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.602 -0.965 3.552 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.408 -1.290 2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.100 -1.799 2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.327 0.777 3.236 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.894 0.014 1.732 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.386 1.720 1.728 1.00 0.00 H new ATOM 41 N GLN A 63 7.624 -0.221 -0.873 1.00 0.00 N ATOM 42 CA GLN A 63 8.649 -1.059 -1.483 1.00 0.00 C ATOM 43 C GLN A 63 9.654 -1.537 -0.440 1.00 0.00 C ATOM 44 O GLN A 63 9.571 -1.167 0.732 1.00 0.00 O ATOM 45 CB GLN A 63 9.371 -0.293 -2.592 1.00 0.00 C ATOM 46 CG GLN A 63 9.056 -0.803 -3.989 1.00 0.00 C ATOM 47 CD GLN A 63 7.631 -0.505 -4.411 1.00 0.00 C ATOM 48 OE1 GLN A 63 6.679 -1.040 -3.844 1.00 0.00 O ATOM 49 NE2 GLN A 63 7.477 0.354 -5.412 1.00 0.00 N ATOM 0 H GLN A 63 7.806 0.781 -0.936 1.00 0.00 H new ATOM 0 HA GLN A 63 8.159 -1.932 -1.915 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.100 0.761 -2.530 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.446 -0.356 -2.425 1.00 0.00 H new ATOM 0 HG2 GLN A 63 9.745 -0.349 -4.701 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.224 -1.879 -4.025 1.00 0.00 H new ATOM 0 HE21 GLN A 63 8.295 0.774 -5.854 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.541 0.593 -5.739 1.00 0.00 H new ATOM 58 N LEU A 64 10.602 -2.360 -0.873 1.00 0.00 N ATOM 59 CA LEU A 64 11.624 -2.888 0.024 1.00 0.00 C ATOM 60 C LEU A 64 12.898 -3.229 -0.743 1.00 0.00 C ATOM 61 O LEU A 64 12.869 -3.430 -1.957 1.00 0.00 O ATOM 62 CB LEU A 64 11.103 -4.132 0.747 1.00 0.00 C ATOM 63 CG LEU A 64 9.860 -3.932 1.614 1.00 0.00 C ATOM 64 CD1 LEU A 64 9.298 -5.274 2.059 1.00 0.00 C ATOM 65 CD2 LEU A 64 10.186 -3.063 2.820 1.00 0.00 C ATOM 0 H LEU A 64 10.685 -2.676 -1.839 1.00 0.00 H new ATOM 0 HA LEU A 64 11.859 -2.119 0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.882 -4.896 0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.902 -4.523 1.377 1.00 0.00 H new ATOM 0 HG LEU A 64 9.102 -3.423 1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.414 -5.112 2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.027 -5.863 1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 64 10.050 -5.810 2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.290 -2.931 3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.960 -3.545 3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 64 10.542 -2.090 2.482 1.00 0.00 H new ATOM 77 N ALA A 65 14.015 -3.292 -0.026 1.00 0.00 N ATOM 78 CA ALA A 65 15.299 -3.612 -0.638 1.00 0.00 C ATOM 79 C ALA A 65 15.808 -2.450 -1.484 1.00 0.00 C ATOM 80 O ALA A 65 15.373 -2.259 -2.620 1.00 0.00 O ATOM 81 CB ALA A 65 15.181 -4.872 -1.484 1.00 0.00 C ATOM 0 H ALA A 65 14.057 -3.126 0.979 1.00 0.00 H new ATOM 0 HA ALA A 65 16.020 -3.790 0.160 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.147 -5.099 -1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 65 14.870 -5.705 -0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.442 -4.715 -2.270 1.00 0.00 H new ATOM 87 N HIS A 66 16.733 -1.677 -0.924 1.00 0.00 N ATOM 88 CA HIS A 66 17.302 -0.533 -1.627 1.00 0.00 C ATOM 89 C HIS A 66 18.169 -0.990 -2.796 1.00 0.00 C ATOM 90 O HIS A 66 19.319 -1.388 -2.610 1.00 0.00 O ATOM 91 CB HIS A 66 18.129 0.323 -0.668 1.00 0.00 C ATOM 92 CG HIS A 66 17.791 1.782 -0.724 1.00 0.00 C ATOM 93 ND1 HIS A 66 18.399 2.662 -1.594 1.00 0.00 N ATOM 94 CD2 HIS A 66 16.902 2.512 -0.012 1.00 0.00 C ATOM 95 CE1 HIS A 66 17.900 3.871 -1.414 1.00 0.00 C ATOM 96 NE2 HIS A 66 16.988 3.808 -0.460 1.00 0.00 N ATOM 0 H HIS A 66 17.104 -1.822 0.015 1.00 0.00 H new ATOM 0 HA HIS A 66 16.480 0.066 -2.019 1.00 0.00 H new ATOM 0 HB2 HIS A 66 17.979 -0.038 0.350 1.00 0.00 H new ATOM 0 HB3 HIS A 66 19.186 0.194 -0.899 1.00 0.00 H new ATOM 0 HD2 HIS A 66 16.247 2.145 0.764 1.00 0.00 H new ATOM 0 HE1 HIS A 66 18.188 4.760 -1.955 1.00 0.00 H new ATOM 0 HE2 HIS A 66 16.438 4.593 -0.113 1.00 0.00 H new ATOM 104 N HIS A 67 17.610 -0.932 -4.001 1.00 0.00 N ATOM 105 CA HIS A 67 18.332 -1.341 -5.200 1.00 0.00 C ATOM 106 C HIS A 67 17.467 -1.159 -6.444 1.00 0.00 C ATOM 107 O HIS A 67 16.248 -1.014 -6.349 1.00 0.00 O ATOM 108 CB HIS A 67 18.776 -2.799 -5.081 1.00 0.00 C ATOM 109 CG HIS A 67 20.208 -3.022 -5.458 1.00 0.00 C ATOM 110 ND1 HIS A 67 21.264 -2.477 -4.758 1.00 0.00 N ATOM 111 CD2 HIS A 67 20.757 -3.737 -6.468 1.00 0.00 C ATOM 112 CE1 HIS A 67 22.400 -2.846 -5.322 1.00 0.00 C ATOM 113 NE2 HIS A 67 22.120 -3.611 -6.362 1.00 0.00 N ATOM 0 H HIS A 67 16.659 -0.606 -4.173 1.00 0.00 H new ATOM 0 HA HIS A 67 19.214 -0.708 -5.297 1.00 0.00 H new ATOM 0 HB2 HIS A 67 18.623 -3.134 -4.055 1.00 0.00 H new ATOM 0 HB3 HIS A 67 18.141 -3.416 -5.717 1.00 0.00 H new ATOM 0 HD1 HIS A 67 21.181 -1.882 -3.934 1.00 0.00 H new ATOM 0 HD2 HIS A 67 20.222 -4.301 -7.218 1.00 0.00 H new ATOM 0 HE1 HIS A 67 23.390 -2.569 -4.989 1.00 0.00 H new ATOM 121 N PHE A 68 18.106 -1.167 -7.609 1.00 0.00 N ATOM 122 CA PHE A 68 17.395 -1.002 -8.872 1.00 0.00 C ATOM 123 C PHE A 68 16.800 -2.327 -9.338 1.00 0.00 C ATOM 124 O PHE A 68 17.334 -3.397 -9.048 1.00 0.00 O ATOM 125 CB PHE A 68 18.337 -0.448 -9.943 1.00 0.00 C ATOM 126 CG PHE A 68 18.066 -0.989 -11.317 1.00 0.00 C ATOM 127 CD1 PHE A 68 18.675 -2.155 -11.750 1.00 0.00 C ATOM 128 CD2 PHE A 68 17.201 -0.330 -12.177 1.00 0.00 C ATOM 129 CE1 PHE A 68 18.427 -2.655 -13.015 1.00 0.00 C ATOM 130 CE2 PHE A 68 16.949 -0.825 -13.442 1.00 0.00 C ATOM 131 CZ PHE A 68 17.563 -1.989 -13.862 1.00 0.00 C ATOM 0 H PHE A 68 19.114 -1.286 -7.705 1.00 0.00 H new ATOM 0 HA PHE A 68 16.581 -0.295 -8.713 1.00 0.00 H new ATOM 0 HB2 PHE A 68 18.250 0.638 -9.965 1.00 0.00 H new ATOM 0 HB3 PHE A 68 19.365 -0.680 -9.666 1.00 0.00 H new ATOM 0 HD1 PHE A 68 19.352 -2.680 -11.092 1.00 0.00 H new ATOM 0 HD2 PHE A 68 16.719 0.581 -11.854 1.00 0.00 H new ATOM 0 HE1 PHE A 68 18.908 -3.565 -13.340 1.00 0.00 H new ATOM 0 HE2 PHE A 68 16.273 -0.302 -14.102 1.00 0.00 H new ATOM 0 HZ PHE A 68 17.368 -2.377 -14.851 1.00 0.00 H new ATOM 141 N SER A 69 15.688 -2.246 -10.062 1.00 0.00 N ATOM 142 CA SER A 69 15.016 -3.439 -10.566 1.00 0.00 C ATOM 143 C SER A 69 14.131 -3.099 -11.762 1.00 0.00 C ATOM 144 O SER A 69 14.101 -1.958 -12.221 1.00 0.00 O ATOM 145 CB SER A 69 14.175 -4.081 -9.461 1.00 0.00 C ATOM 146 OG SER A 69 14.987 -4.821 -8.566 1.00 0.00 O ATOM 0 H SER A 69 15.234 -1.368 -10.313 1.00 0.00 H new ATOM 0 HA SER A 69 15.779 -4.147 -10.890 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.637 -3.307 -8.913 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.426 -4.737 -9.905 1.00 0.00 H new ATOM 0 HG SER A 69 15.923 -4.553 -8.676 1.00 0.00 H new ATOM 152 N GLU A 70 13.412 -4.100 -12.261 1.00 0.00 N ATOM 153 CA GLU A 70 12.528 -3.908 -13.404 1.00 0.00 C ATOM 154 C GLU A 70 13.268 -3.241 -14.559 1.00 0.00 C ATOM 155 O GLU A 70 13.023 -2.084 -14.902 1.00 0.00 O ATOM 156 CB GLU A 70 11.317 -3.062 -13.004 1.00 0.00 C ATOM 157 CG GLU A 70 10.721 -3.450 -11.661 1.00 0.00 C ATOM 158 CD GLU A 70 11.214 -2.571 -10.528 1.00 0.00 C ATOM 159 OE1 GLU A 70 11.407 -1.359 -10.759 1.00 0.00 O ATOM 160 OE2 GLU A 70 11.406 -3.095 -9.411 1.00 0.00 O ATOM 0 H GLU A 70 13.425 -5.051 -11.892 1.00 0.00 H new ATOM 0 HA GLU A 70 12.185 -4.889 -13.733 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.612 -2.013 -12.972 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.550 -3.154 -13.773 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.634 -3.387 -11.718 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.969 -4.489 -11.444 1.00 0.00 H new ATOM 167 N PRO A 71 14.198 -3.986 -15.175 1.00 0.00 N ATOM 168 CA PRO A 71 14.994 -3.489 -16.301 1.00 0.00 C ATOM 169 C PRO A 71 14.161 -3.308 -17.565 1.00 0.00 C ATOM 170 O PRO A 71 14.646 -2.790 -18.570 1.00 0.00 O ATOM 171 CB PRO A 71 16.044 -4.583 -16.504 1.00 0.00 C ATOM 172 CG PRO A 71 15.413 -5.819 -15.962 1.00 0.00 C ATOM 173 CD PRO A 71 14.543 -5.373 -14.820 1.00 0.00 C ATOM 0 HA PRO A 71 15.418 -2.506 -16.097 1.00 0.00 H new ATOM 0 HB2 PRO A 71 16.298 -4.698 -17.558 1.00 0.00 H new ATOM 0 HB3 PRO A 71 16.969 -4.347 -15.977 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.824 -6.324 -16.727 1.00 0.00 H new ATOM 0 HG3 PRO A 71 16.169 -6.527 -15.623 1.00 0.00 H new ATOM 0 HD2 PRO A 71 13.654 -5.996 -14.725 1.00 0.00 H new ATOM 0 HD3 PRO A 71 15.072 -5.425 -13.868 1.00 0.00 H new ATOM 181 N GLU A 72 12.904 -3.739 -17.507 1.00 0.00 N ATOM 182 CA GLU A 72 12.004 -3.624 -18.648 1.00 0.00 C ATOM 183 C GLU A 72 11.431 -2.213 -18.749 1.00 0.00 C ATOM 184 O GLU A 72 10.356 -2.008 -19.315 1.00 0.00 O ATOM 185 CB GLU A 72 10.867 -4.642 -18.534 1.00 0.00 C ATOM 186 CG GLU A 72 11.347 -6.078 -18.405 1.00 0.00 C ATOM 187 CD GLU A 72 12.510 -6.389 -19.326 1.00 0.00 C ATOM 188 OE1 GLU A 72 13.657 -6.044 -18.971 1.00 0.00 O ATOM 189 OE2 GLU A 72 12.274 -6.979 -20.401 1.00 0.00 O ATOM 0 H GLU A 72 12.487 -4.171 -16.682 1.00 0.00 H new ATOM 0 HA GLU A 72 12.577 -3.830 -19.552 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.254 -4.394 -17.668 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.227 -4.559 -19.412 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.645 -6.266 -17.374 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.522 -6.754 -18.627 1.00 0.00 H new ATOM 196 N ILE A 73 12.155 -1.246 -18.198 1.00 0.00 N ATOM 197 CA ILE A 73 11.719 0.145 -18.226 1.00 0.00 C ATOM 198 C ILE A 73 11.412 0.596 -19.650 1.00 0.00 C ATOM 199 O ILE A 73 10.299 1.032 -19.949 1.00 0.00 O ATOM 200 CB ILE A 73 12.782 1.081 -17.621 1.00 0.00 C ATOM 201 CG1 ILE A 73 13.172 0.607 -16.219 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.266 2.511 -17.579 1.00 0.00 C ATOM 203 CD1 ILE A 73 14.164 1.517 -15.529 1.00 0.00 C ATOM 0 H ILE A 73 13.046 -1.399 -17.727 1.00 0.00 H new ATOM 0 HA ILE A 73 10.812 0.203 -17.625 1.00 0.00 H new ATOM 0 HB ILE A 73 13.670 1.055 -18.252 1.00 0.00 H new ATOM 0 HG12 ILE A 73 12.273 0.531 -15.607 1.00 0.00 H new ATOM 0 HG13 ILE A 73 13.596 -0.395 -16.288 1.00 0.00 H new ATOM 0 HG21 ILE A 73 13.028 3.160 -17.149 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.034 2.844 -18.591 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.365 2.555 -16.967 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.395 1.120 -14.540 1.00 0.00 H new ATOM 0 HD12 ILE A 73 15.078 1.574 -16.120 1.00 0.00 H new ATOM 0 HD13 ILE A 73 13.735 2.514 -15.429 1.00 0.00 H new ATOM 215 N THR A 74 12.405 0.486 -20.527 1.00 0.00 N ATOM 216 CA THR A 74 12.242 0.882 -21.920 1.00 0.00 C ATOM 217 C THR A 74 10.985 0.265 -22.523 1.00 0.00 C ATOM 218 O THR A 74 10.226 0.936 -23.224 1.00 0.00 O ATOM 219 CB THR A 74 13.460 0.470 -22.768 1.00 0.00 C ATOM 220 OG1 THR A 74 14.662 0.977 -22.177 1.00 0.00 O ATOM 221 CG2 THR A 74 13.330 0.990 -24.191 1.00 0.00 C ATOM 0 H THR A 74 13.331 0.126 -20.297 1.00 0.00 H new ATOM 0 HA THR A 74 12.152 1.968 -21.931 1.00 0.00 H new ATOM 0 HB THR A 74 13.502 -0.619 -22.799 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.432 0.709 -22.721 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.202 0.686 -24.770 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.430 0.579 -24.648 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.265 2.078 -24.176 1.00 0.00 H new ATOM 229 N LEU A 75 10.770 -1.017 -22.247 1.00 0.00 N ATOM 230 CA LEU A 75 9.603 -1.725 -22.762 1.00 0.00 C ATOM 231 C LEU A 75 8.314 -1.018 -22.358 1.00 0.00 C ATOM 232 O LEU A 75 7.451 -0.754 -23.195 1.00 0.00 O ATOM 233 CB LEU A 75 9.590 -3.166 -22.249 1.00 0.00 C ATOM 234 CG LEU A 75 10.557 -4.132 -22.935 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.441 -5.523 -22.330 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.293 -4.176 -24.433 1.00 0.00 C ATOM 0 H LEU A 75 11.388 -1.587 -21.670 1.00 0.00 H new ATOM 0 HA LEU A 75 9.665 -1.733 -23.850 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.817 -3.153 -21.183 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.579 -3.559 -22.355 1.00 0.00 H new ATOM 0 HG LEU A 75 11.574 -3.773 -22.776 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.136 -6.197 -22.831 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.680 -5.479 -21.267 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.423 -5.892 -22.458 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.990 -4.868 -24.905 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.271 -4.511 -24.613 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.428 -3.180 -24.856 1.00 0.00 H new ATOM 248 N ILE A 76 8.192 -0.711 -21.070 1.00 0.00 N ATOM 249 CA ILE A 76 7.010 -0.031 -20.556 1.00 0.00 C ATOM 250 C ILE A 76 6.767 1.282 -21.293 1.00 0.00 C ATOM 251 O ILE A 76 5.642 1.580 -21.696 1.00 0.00 O ATOM 252 CB ILE A 76 7.136 0.255 -19.048 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.338 -1.049 -18.274 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.904 0.992 -18.544 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.220 -2.049 -18.474 1.00 0.00 C ATOM 0 H ILE A 76 8.897 -0.923 -20.364 1.00 0.00 H new ATOM 0 HA ILE A 76 6.165 -0.699 -20.721 1.00 0.00 H new ATOM 0 HB ILE A 76 8.007 0.890 -18.885 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.280 -1.503 -18.582 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.426 -0.822 -17.212 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.008 1.187 -17.477 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.802 1.937 -19.077 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.018 0.381 -18.717 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.429 -2.949 -17.896 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.278 -1.614 -18.139 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.146 -2.305 -19.531 1.00 0.00 H new ATOM 267 N ILE A 77 7.829 2.061 -21.466 1.00 0.00 N ATOM 268 CA ILE A 77 7.732 3.341 -22.157 1.00 0.00 C ATOM 269 C ILE A 77 7.312 3.150 -23.611 1.00 0.00 C ATOM 270 O ILE A 77 6.384 3.801 -24.091 1.00 0.00 O ATOM 271 CB ILE A 77 9.068 4.106 -22.117 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.500 4.344 -20.668 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.945 5.426 -22.863 1.00 0.00 C ATOM 274 CD1 ILE A 77 10.715 5.235 -20.540 1.00 0.00 C ATOM 0 H ILE A 77 8.766 1.829 -21.137 1.00 0.00 H new ATOM 0 HA ILE A 77 6.973 3.924 -21.635 1.00 0.00 H new ATOM 0 HB ILE A 77 9.831 3.503 -22.610 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.672 4.792 -20.119 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.712 3.384 -20.198 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.897 5.955 -22.826 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.677 5.233 -23.902 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.172 6.037 -22.397 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.965 5.361 -19.486 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.557 4.779 -21.061 1.00 0.00 H new ATOM 0 HD13 ILE A 77 10.500 6.209 -20.980 1.00 0.00 H new ATOM 286 N PHE A 78 8.001 2.252 -24.307 1.00 0.00 N ATOM 287 CA PHE A 78 7.699 1.974 -25.706 1.00 0.00 C ATOM 288 C PHE A 78 6.231 1.600 -25.883 1.00 0.00 C ATOM 289 O PHE A 78 5.545 2.128 -26.757 1.00 0.00 O ATOM 290 CB PHE A 78 8.591 0.844 -26.227 1.00 0.00 C ATOM 291 CG PHE A 78 8.196 0.349 -27.589 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.682 0.962 -28.732 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.337 -0.730 -27.726 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.321 0.509 -29.987 1.00 0.00 C ATOM 295 CE2 PHE A 78 6.973 -1.188 -28.978 1.00 0.00 C ATOM 296 CZ PHE A 78 7.464 -0.568 -30.110 1.00 0.00 C ATOM 0 H PHE A 78 8.772 1.704 -23.925 1.00 0.00 H new ATOM 0 HA PHE A 78 7.896 2.879 -26.281 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.623 1.193 -26.261 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.559 0.012 -25.523 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.352 1.805 -28.642 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.948 -1.218 -26.845 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.708 0.996 -30.870 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.304 -2.031 -29.071 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.179 -0.924 -31.089 1.00 0.00 H new ATOM 306 N GLY A 79 5.754 0.685 -25.044 1.00 0.00 N ATOM 307 CA GLY A 79 4.370 0.255 -25.124 1.00 0.00 C ATOM 308 C GLY A 79 3.397 1.412 -25.015 1.00 0.00 C ATOM 309 O GLY A 79 2.542 1.597 -25.881 1.00 0.00 O ATOM 0 H GLY A 79 6.301 0.234 -24.311 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.208 -0.264 -26.069 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.169 -0.462 -24.328 1.00 0.00 H new ATOM 313 N VAL A 80 3.525 2.192 -23.946 1.00 0.00 N ATOM 314 CA VAL A 80 2.649 3.337 -23.726 1.00 0.00 C ATOM 315 C VAL A 80 2.791 4.361 -24.846 1.00 0.00 C ATOM 316 O VAL A 80 1.822 5.015 -25.230 1.00 0.00 O ATOM 317 CB VAL A 80 2.947 4.021 -22.379 1.00 0.00 C ATOM 318 CG1 VAL A 80 1.972 5.162 -22.132 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.895 3.008 -21.244 1.00 0.00 C ATOM 0 H VAL A 80 4.227 2.052 -23.219 1.00 0.00 H new ATOM 0 HA VAL A 80 1.628 2.956 -23.713 1.00 0.00 H new ATOM 0 HB VAL A 80 3.954 4.438 -22.418 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.198 5.633 -21.176 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.064 5.899 -22.930 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.954 4.773 -22.113 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.108 3.509 -20.299 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.902 2.560 -21.201 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.638 2.229 -21.417 1.00 0.00 H new ATOM 329 N MET A 81 4.006 4.495 -25.367 1.00 0.00 N ATOM 330 CA MET A 81 4.275 5.439 -26.446 1.00 0.00 C ATOM 331 C MET A 81 3.539 5.034 -27.719 1.00 0.00 C ATOM 332 O MET A 81 2.908 5.865 -28.372 1.00 0.00 O ATOM 333 CB MET A 81 5.779 5.522 -26.717 1.00 0.00 C ATOM 334 CG MET A 81 6.536 6.353 -25.694 1.00 0.00 C ATOM 335 SD MET A 81 6.378 8.125 -25.986 1.00 0.00 S ATOM 336 CE MET A 81 7.809 8.426 -27.021 1.00 0.00 C ATOM 0 H MET A 81 4.820 3.962 -25.060 1.00 0.00 H new ATOM 0 HA MET A 81 3.914 6.420 -26.135 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.193 4.514 -26.732 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.938 5.947 -27.708 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.166 6.119 -24.696 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.590 6.078 -25.716 1.00 0.00 H new ATOM 0 HE1 MET A 81 7.850 9.482 -27.287 1.00 0.00 H new ATOM 0 HE2 MET A 81 8.714 8.153 -26.479 1.00 0.00 H new ATOM 0 HE3 MET A 81 7.734 7.826 -27.928 1.00 0.00 H new ATOM 346 N ALA A 82 3.624 3.754 -28.065 1.00 0.00 N ATOM 347 CA ALA A 82 2.964 3.240 -29.259 1.00 0.00 C ATOM 348 C ALA A 82 1.447 3.312 -29.121 1.00 0.00 C ATOM 349 O ALA A 82 0.751 3.747 -30.038 1.00 0.00 O ATOM 350 CB ALA A 82 3.404 1.809 -29.530 1.00 0.00 C ATOM 0 H ALA A 82 4.143 3.054 -27.536 1.00 0.00 H new ATOM 0 HA ALA A 82 3.256 3.864 -30.103 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.904 1.438 -30.424 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.483 1.783 -29.681 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.141 1.180 -28.679 1.00 0.00 H new ATOM 356 N GLY A 83 0.940 2.882 -27.970 1.00 0.00 N ATOM 357 CA GLY A 83 -0.491 2.905 -27.734 1.00 0.00 C ATOM 358 C GLY A 83 -1.063 4.308 -27.778 1.00 0.00 C ATOM 359 O GLY A 83 -2.030 4.571 -28.494 1.00 0.00 O ATOM 0 H GLY A 83 1.496 2.518 -27.196 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.990 2.289 -28.482 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.703 2.460 -26.762 1.00 0.00 H new ATOM 363 N VAL A 84 -0.466 5.213 -27.009 1.00 0.00 N ATOM 364 CA VAL A 84 -0.922 6.597 -26.962 1.00 0.00 C ATOM 365 C VAL A 84 -0.996 7.199 -28.361 1.00 0.00 C ATOM 366 O VAL A 84 -2.051 7.665 -28.791 1.00 0.00 O ATOM 367 CB VAL A 84 0.006 7.465 -26.090 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.319 8.940 -26.269 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.105 7.059 -24.628 1.00 0.00 C ATOM 0 H VAL A 84 0.335 5.012 -26.410 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.919 6.587 -26.520 1.00 0.00 H new ATOM 0 HB VAL A 84 1.035 7.303 -26.411 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.346 9.537 -25.646 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.184 9.218 -27.314 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.353 9.123 -25.976 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.557 7.682 -24.026 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.133 7.191 -24.291 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.182 6.013 -24.518 1.00 0.00 H new ATOM 379 N ILE A 85 0.130 7.185 -29.065 1.00 0.00 N ATOM 380 CA ILE A 85 0.192 7.728 -30.416 1.00 0.00 C ATOM 381 C ILE A 85 -0.849 7.076 -31.319 1.00 0.00 C ATOM 382 O ILE A 85 -1.506 7.748 -32.114 1.00 0.00 O ATOM 383 CB ILE A 85 1.588 7.534 -31.038 1.00 0.00 C ATOM 384 CG1 ILE A 85 2.654 8.209 -30.172 1.00 0.00 C ATOM 385 CG2 ILE A 85 1.619 8.088 -32.454 1.00 0.00 C ATOM 386 CD1 ILE A 85 4.057 7.713 -30.445 1.00 0.00 C ATOM 0 H ILE A 85 1.012 6.804 -28.723 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.016 8.795 -30.336 1.00 0.00 H new ATOM 0 HB ILE A 85 1.805 6.467 -31.082 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.619 9.285 -30.340 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.416 8.042 -29.121 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.612 7.943 -32.880 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.883 7.566 -33.065 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.385 9.152 -32.434 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.760 8.235 -29.796 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.109 6.642 -30.250 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.314 7.905 -31.487 1.00 0.00 H new ATOM 398 N GLY A 86 -0.996 5.761 -31.190 1.00 0.00 N ATOM 399 CA GLY A 86 -1.961 5.039 -31.999 1.00 0.00 C ATOM 400 C GLY A 86 -3.373 5.560 -31.820 1.00 0.00 C ATOM 401 O GLY A 86 -4.059 5.867 -32.796 1.00 0.00 O ATOM 0 H GLY A 86 -0.464 5.183 -30.540 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.679 5.115 -33.049 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.931 3.981 -31.737 1.00 0.00 H new ATOM 405 N THR A 87 -3.811 5.660 -30.569 1.00 0.00 N ATOM 406 CA THR A 87 -5.152 6.144 -30.266 1.00 0.00 C ATOM 407 C THR A 87 -5.379 7.534 -30.849 1.00 0.00 C ATOM 408 O THR A 87 -6.417 7.800 -31.457 1.00 0.00 O ATOM 409 CB THR A 87 -5.401 6.191 -28.746 1.00 0.00 C ATOM 410 OG1 THR A 87 -4.828 5.038 -28.120 1.00 0.00 O ATOM 411 CG2 THR A 87 -6.891 6.251 -28.444 1.00 0.00 C ATOM 0 H THR A 87 -3.257 5.412 -29.749 1.00 0.00 H new ATOM 0 HA THR A 87 -5.852 5.443 -30.721 1.00 0.00 H new ATOM 0 HB THR A 87 -4.930 7.090 -28.350 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.899 4.269 -28.723 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.043 6.283 -27.365 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.318 7.145 -28.898 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.381 5.367 -28.853 1.00 0.00 H new ATOM 419 N ILE A 88 -4.404 8.417 -30.662 1.00 0.00 N ATOM 420 CA ILE A 88 -4.498 9.779 -31.172 1.00 0.00 C ATOM 421 C ILE A 88 -4.802 9.786 -32.666 1.00 0.00 C ATOM 422 O ILE A 88 -5.729 10.459 -33.119 1.00 0.00 O ATOM 423 CB ILE A 88 -3.198 10.565 -30.920 1.00 0.00 C ATOM 424 CG1 ILE A 88 -2.899 10.632 -29.421 1.00 0.00 C ATOM 425 CG2 ILE A 88 -3.304 11.965 -31.508 1.00 0.00 C ATOM 426 CD1 ILE A 88 -1.454 10.947 -29.107 1.00 0.00 C ATOM 0 H ILE A 88 -3.539 8.213 -30.161 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.315 10.262 -30.635 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.375 10.046 -31.412 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.535 11.391 -28.965 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.162 9.679 -28.963 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.378 12.509 -31.322 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.475 11.896 -32.582 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.135 12.494 -31.041 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.315 10.979 -28.026 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.813 10.175 -29.533 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.191 11.914 -29.535 1.00 0.00 H new ATOM 438 N LEU A 89 -4.016 9.033 -33.428 1.00 0.00 N ATOM 439 CA LEU A 89 -4.202 8.950 -34.872 1.00 0.00 C ATOM 440 C LEU A 89 -5.619 8.499 -35.214 1.00 0.00 C ATOM 441 O LEU A 89 -6.323 9.156 -35.982 1.00 0.00 O ATOM 442 CB LEU A 89 -3.186 7.984 -35.483 1.00 0.00 C ATOM 443 CG LEU A 89 -1.754 8.506 -35.607 1.00 0.00 C ATOM 444 CD1 LEU A 89 -0.764 7.351 -35.620 1.00 0.00 C ATOM 445 CD2 LEU A 89 -1.603 9.355 -36.861 1.00 0.00 C ATOM 0 H LEU A 89 -3.244 8.471 -33.070 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.046 9.944 -35.291 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.170 7.076 -34.880 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.535 7.701 -36.476 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.539 9.132 -34.741 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.250 7.742 -35.709 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.854 6.784 -34.694 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.977 6.699 -36.467 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.578 9.718 -36.933 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.837 8.753 -37.739 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.286 10.203 -36.810 1.00 0.00 H new ATOM 457 N LEU A 90 -6.031 7.375 -34.638 1.00 0.00 N ATOM 458 CA LEU A 90 -7.365 6.837 -34.880 1.00 0.00 C ATOM 459 C LEU A 90 -8.439 7.856 -34.510 1.00 0.00 C ATOM 460 O LEU A 90 -9.329 8.151 -35.308 1.00 0.00 O ATOM 461 CB LEU A 90 -7.570 5.550 -34.079 1.00 0.00 C ATOM 462 CG LEU A 90 -6.662 4.377 -34.449 1.00 0.00 C ATOM 463 CD1 LEU A 90 -6.733 3.291 -33.387 1.00 0.00 C ATOM 464 CD2 LEU A 90 -7.042 3.818 -35.813 1.00 0.00 C ATOM 0 H LEU A 90 -5.461 6.819 -34.001 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.453 6.614 -35.943 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.425 5.776 -33.023 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.606 5.233 -34.198 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.635 4.739 -34.500 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.080 2.464 -33.668 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.411 3.698 -32.428 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.758 2.931 -33.303 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.385 2.984 -36.060 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.075 3.472 -35.789 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.938 4.598 -36.568 1.00 0.00 H new ATOM 476 N ILE A 91 -8.347 8.390 -33.297 1.00 0.00 N ATOM 477 CA ILE A 91 -9.309 9.378 -32.824 1.00 0.00 C ATOM 478 C ILE A 91 -9.398 10.561 -33.782 1.00 0.00 C ATOM 479 O ILE A 91 -10.489 10.977 -34.172 1.00 0.00 O ATOM 480 CB ILE A 91 -8.941 9.894 -31.420 1.00 0.00 C ATOM 481 CG1 ILE A 91 -9.128 8.788 -30.381 1.00 0.00 C ATOM 482 CG2 ILE A 91 -9.783 11.110 -31.066 1.00 0.00 C ATOM 483 CD1 ILE A 91 -10.569 8.358 -30.208 1.00 0.00 C ATOM 0 H ILE A 91 -7.617 8.156 -32.624 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.277 8.879 -32.776 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.892 10.191 -31.421 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.532 7.923 -30.672 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.743 9.133 -29.422 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -9.512 11.463 -30.071 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.603 11.901 -31.794 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -10.838 10.838 -31.079 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.626 7.571 -29.456 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -11.167 9.211 -29.887 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -10.953 7.982 -31.156 1.00 0.00 H new ATOM 495 N SER A 92 -8.242 11.099 -34.158 1.00 0.00 N ATOM 496 CA SER A 92 -8.188 12.236 -35.069 1.00 0.00 C ATOM 497 C SER A 92 -8.938 11.932 -36.363 1.00 0.00 C ATOM 498 O SER A 92 -9.471 12.832 -37.011 1.00 0.00 O ATOM 499 CB SER A 92 -6.735 12.599 -35.382 1.00 0.00 C ATOM 500 OG SER A 92 -6.663 13.597 -36.385 1.00 0.00 O ATOM 0 H SER A 92 -7.330 10.765 -33.846 1.00 0.00 H new ATOM 0 HA SER A 92 -8.669 13.083 -34.581 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.242 12.953 -34.476 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.197 11.710 -35.710 1.00 0.00 H new ATOM 0 HG SER A 92 -5.724 13.812 -36.566 1.00 0.00 H new ATOM 506 N TYR A 93 -8.974 10.656 -36.732 1.00 0.00 N ATOM 507 CA TYR A 93 -9.655 10.231 -37.949 1.00 0.00 C ATOM 508 C TYR A 93 -11.169 10.294 -37.776 1.00 0.00 C ATOM 509 O TYR A 93 -11.898 10.642 -38.704 1.00 0.00 O ATOM 510 CB TYR A 93 -9.232 8.810 -38.326 1.00 0.00 C ATOM 511 CG TYR A 93 -9.688 8.389 -39.705 1.00 0.00 C ATOM 512 CD1 TYR A 93 -9.090 8.910 -40.845 1.00 0.00 C ATOM 513 CD2 TYR A 93 -10.716 7.468 -39.866 1.00 0.00 C ATOM 514 CE1 TYR A 93 -9.503 8.528 -42.107 1.00 0.00 C ATOM 515 CE2 TYR A 93 -11.135 7.079 -41.124 1.00 0.00 C ATOM 516 CZ TYR A 93 -10.526 7.612 -42.241 1.00 0.00 C ATOM 517 OH TYR A 93 -10.940 7.228 -43.496 1.00 0.00 O ATOM 0 H TYR A 93 -8.539 9.898 -36.205 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.370 10.912 -38.751 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.146 8.737 -38.274 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.634 8.113 -37.591 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -8.288 9.626 -40.743 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.195 7.049 -38.993 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -9.028 8.944 -42.983 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -11.935 6.362 -41.232 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.668 6.577 -43.415 1.00 0.00 H new ATOM 527 N GLY A 94 -11.636 9.954 -36.578 1.00 0.00 N ATOM 528 CA GLY A 94 -13.061 9.979 -36.302 1.00 0.00 C ATOM 529 C GLY A 94 -13.640 11.378 -36.370 1.00 0.00 C ATOM 530 O GLY A 94 -14.766 11.569 -36.832 1.00 0.00 O ATOM 0 H GLY A 94 -11.053 9.662 -35.794 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.578 9.340 -37.018 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.244 9.561 -35.312 1.00 0.00 H new ATOM 534 N ILE A 95 -12.872 12.358 -35.906 1.00 0.00 N ATOM 535 CA ILE A 95 -13.316 13.746 -35.916 1.00 0.00 C ATOM 536 C ILE A 95 -13.482 14.260 -37.342 1.00 0.00 C ATOM 537 O ILE A 95 -14.345 15.095 -37.615 1.00 0.00 O ATOM 538 CB ILE A 95 -12.329 14.658 -35.165 1.00 0.00 C ATOM 539 CG1 ILE A 95 -12.184 14.202 -33.711 1.00 0.00 C ATOM 540 CG2 ILE A 95 -12.793 16.106 -35.228 1.00 0.00 C ATOM 541 CD1 ILE A 95 -13.485 14.218 -32.940 1.00 0.00 C ATOM 0 H ILE A 95 -11.939 12.216 -35.518 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.280 13.772 -35.409 1.00 0.00 H new ATOM 0 HB ILE A 95 -11.354 14.588 -35.647 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.774 13.192 -33.695 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.464 14.847 -33.207 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -12.085 16.739 -34.693 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -12.850 16.425 -36.269 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -13.777 16.193 -34.768 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -13.307 13.883 -31.918 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -13.887 15.231 -32.925 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -14.201 13.551 -33.420 1.00 0.00 H new ATOM 553 N ARG A 96 -12.652 13.755 -38.248 1.00 0.00 N ATOM 554 CA ARG A 96 -12.707 14.163 -39.646 1.00 0.00 C ATOM 555 C ARG A 96 -13.906 13.534 -40.349 1.00 0.00 C ATOM 556 O ARG A 96 -14.584 14.185 -41.145 1.00 0.00 O ATOM 557 CB ARG A 96 -11.416 13.767 -40.366 1.00 0.00 C ATOM 558 CG ARG A 96 -10.796 14.898 -41.171 1.00 0.00 C ATOM 559 CD ARG A 96 -10.034 14.372 -42.377 1.00 0.00 C ATOM 560 NE ARG A 96 -9.595 15.449 -43.260 1.00 0.00 N ATOM 561 CZ ARG A 96 -8.677 15.294 -44.207 1.00 0.00 C ATOM 562 NH1 ARG A 96 -8.105 14.113 -44.394 1.00 0.00 N ATOM 563 NH2 ARG A 96 -8.330 16.322 -44.971 1.00 0.00 N ATOM 0 H ARG A 96 -11.933 13.062 -38.039 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.816 15.247 -39.678 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.692 13.417 -39.630 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.624 12.930 -41.032 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.578 15.581 -41.503 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.121 15.471 -40.535 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -9.167 13.805 -42.039 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -10.668 13.683 -42.934 1.00 0.00 H new ATOM 0 HE ARG A 96 -10.016 16.370 -43.143 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -8.370 13.320 -43.810 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -7.400 13.997 -45.122 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -8.768 17.232 -44.831 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.625 16.202 -45.698 1.00 0.00 H new ATOM 577 N ARG A 97 -14.162 12.265 -40.050 1.00 0.00 N ATOM 578 CA ARG A 97 -15.279 11.548 -40.654 1.00 0.00 C ATOM 579 C ARG A 97 -14.949 11.133 -42.085 1.00 0.00 C ATOM 580 O ARG A 97 -15.216 10.002 -42.493 1.00 0.00 O ATOM 581 CB ARG A 97 -16.538 12.417 -40.641 1.00 0.00 C ATOM 582 CG ARG A 97 -17.808 11.645 -40.324 1.00 0.00 C ATOM 583 CD ARG A 97 -17.914 11.332 -38.840 1.00 0.00 C ATOM 584 NE ARG A 97 -18.180 12.528 -38.046 1.00 0.00 N ATOM 585 CZ ARG A 97 -19.362 13.132 -38.001 1.00 0.00 C ATOM 586 NH1 ARG A 97 -20.382 12.654 -38.700 1.00 0.00 N ATOM 587 NH2 ARG A 97 -19.527 14.217 -37.255 1.00 0.00 N ATOM 0 H ARG A 97 -13.611 11.712 -39.393 1.00 0.00 H new ATOM 0 HA ARG A 97 -15.461 10.648 -40.066 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -16.413 13.212 -39.906 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -16.648 12.897 -41.613 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -18.676 12.226 -40.637 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -17.823 10.716 -40.895 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -18.710 10.605 -38.679 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -16.987 10.870 -38.500 1.00 0.00 H new ATOM 0 HE ARG A 97 -17.416 12.921 -37.496 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -20.260 11.820 -39.275 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -21.288 13.120 -38.663 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -18.745 14.588 -36.715 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -20.435 14.680 -37.222 1.00 0.00 H new ATOM 601 N LEU A 98 -14.367 12.056 -42.843 1.00 0.00 N ATOM 602 CA LEU A 98 -14.000 11.787 -44.229 1.00 0.00 C ATOM 603 C LEU A 98 -15.182 11.213 -45.004 1.00 0.00 C ATOM 604 O LEU A 98 -15.382 11.583 -46.160 1.00 0.00 O ATOM 605 CB LEU A 98 -12.819 10.818 -44.286 1.00 0.00 C ATOM 606 CG LEU A 98 -12.282 10.494 -45.681 1.00 0.00 C ATOM 607 CD1 LEU A 98 -11.952 11.773 -46.436 1.00 0.00 C ATOM 608 CD2 LEU A 98 -11.057 9.597 -45.586 1.00 0.00 C ATOM 0 H LEU A 98 -14.139 12.997 -42.521 1.00 0.00 H new ATOM 0 HA LEU A 98 -13.710 12.730 -44.692 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -12.005 11.234 -43.693 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -13.117 9.885 -43.808 1.00 0.00 H new ATOM 0 HG LEU A 98 -13.056 9.960 -46.233 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -11.571 11.523 -47.426 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -12.852 12.379 -46.536 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.196 12.334 -45.888 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -10.689 9.377 -46.588 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.278 10.104 -45.016 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -11.325 8.667 -45.086 1.00 0.00 H new TER 620 LEU A 98 ATOM 621 N ARG B 61 16.030 -21.663 -0.235 1.00 0.00 N ATOM 622 CA ARG B 61 15.205 -20.998 -1.237 1.00 0.00 C ATOM 623 C ARG B 61 14.463 -22.020 -2.094 1.00 0.00 C ATOM 624 O ARG B 61 15.019 -22.571 -3.044 1.00 0.00 O ATOM 625 CB ARG B 61 16.068 -20.102 -2.126 1.00 0.00 C ATOM 626 CG ARG B 61 16.820 -19.026 -1.360 1.00 0.00 C ATOM 627 CD ARG B 61 18.125 -18.660 -2.048 1.00 0.00 C ATOM 628 NE ARG B 61 18.782 -17.523 -1.409 1.00 0.00 N ATOM 629 CZ ARG B 61 18.357 -16.270 -1.523 1.00 0.00 C ATOM 630 NH1 ARG B 61 17.282 -15.994 -2.248 1.00 0.00 N ATOM 631 NH2 ARG B 61 19.008 -15.289 -0.911 1.00 0.00 N ATOM 0 HA ARG B 61 14.471 -20.383 -0.717 1.00 0.00 H new ATOM 0 HB2 ARG B 61 16.785 -20.722 -2.664 1.00 0.00 H new ATOM 0 HB3 ARG B 61 15.433 -19.627 -2.874 1.00 0.00 H new ATOM 0 HG2 ARG B 61 16.194 -18.138 -1.269 1.00 0.00 H new ATOM 0 HG3 ARG B 61 17.027 -19.375 -0.348 1.00 0.00 H new ATOM 0 HD2 ARG B 61 18.795 -19.520 -2.035 1.00 0.00 H new ATOM 0 HD3 ARG B 61 17.929 -18.424 -3.094 1.00 0.00 H new ATOM 0 HE ARG B 61 19.613 -17.701 -0.844 1.00 0.00 H new ATOM 0 HH11 ARG B 61 16.779 -16.745 -2.720 1.00 0.00 H new ATOM 0 HH12 ARG B 61 16.958 -15.031 -2.334 1.00 0.00 H new ATOM 0 HH21 ARG B 61 19.836 -15.497 -0.352 1.00 0.00 H new ATOM 0 HH22 ARG B 61 18.681 -14.327 -0.999 1.00 0.00 H new ATOM 645 N VAL B 62 13.202 -22.268 -1.751 1.00 0.00 N ATOM 646 CA VAL B 62 12.383 -23.222 -2.489 1.00 0.00 C ATOM 647 C VAL B 62 10.915 -23.105 -2.095 1.00 0.00 C ATOM 648 O VAL B 62 10.579 -23.087 -0.912 1.00 0.00 O ATOM 649 CB VAL B 62 12.854 -24.669 -2.249 1.00 0.00 C ATOM 650 CG1 VAL B 62 12.774 -25.019 -0.771 1.00 0.00 C ATOM 651 CG2 VAL B 62 12.031 -25.641 -3.081 1.00 0.00 C ATOM 0 H VAL B 62 12.726 -21.821 -0.967 1.00 0.00 H new ATOM 0 HA VAL B 62 12.493 -22.983 -3.547 1.00 0.00 H new ATOM 0 HB VAL B 62 13.895 -24.750 -2.561 1.00 0.00 H new ATOM 0 HG11 VAL B 62 13.111 -26.045 -0.621 1.00 0.00 H new ATOM 0 HG12 VAL B 62 13.410 -24.341 -0.202 1.00 0.00 H new ATOM 0 HG13 VAL B 62 11.743 -24.922 -0.429 1.00 0.00 H new ATOM 0 HG21 VAL B 62 12.377 -26.659 -2.900 1.00 0.00 H new ATOM 0 HG22 VAL B 62 10.980 -25.560 -2.802 1.00 0.00 H new ATOM 0 HG23 VAL B 62 12.145 -25.402 -4.138 1.00 0.00 H new ATOM 661 N GLN B 63 10.044 -23.026 -3.097 1.00 0.00 N ATOM 662 CA GLN B 63 8.611 -22.911 -2.855 1.00 0.00 C ATOM 663 C GLN B 63 8.287 -21.620 -2.110 1.00 0.00 C ATOM 664 O GLN B 63 9.093 -21.128 -1.318 1.00 0.00 O ATOM 665 CB GLN B 63 8.109 -24.114 -2.056 1.00 0.00 C ATOM 666 CG GLN B 63 6.723 -23.915 -1.462 1.00 0.00 C ATOM 667 CD GLN B 63 6.096 -25.214 -0.997 1.00 0.00 C ATOM 668 OE1 GLN B 63 6.783 -26.220 -0.817 1.00 0.00 O ATOM 669 NE2 GLN B 63 4.783 -25.200 -0.799 1.00 0.00 N ATOM 0 H GLN B 63 10.306 -23.040 -4.083 1.00 0.00 H new ATOM 0 HA GLN B 63 8.106 -22.889 -3.821 1.00 0.00 H new ATOM 0 HB2 GLN B 63 8.095 -24.990 -2.705 1.00 0.00 H new ATOM 0 HB3 GLN B 63 8.813 -24.325 -1.251 1.00 0.00 H new ATOM 0 HG2 GLN B 63 6.788 -23.226 -0.620 1.00 0.00 H new ATOM 0 HG3 GLN B 63 6.076 -23.450 -2.206 1.00 0.00 H new ATOM 0 HE21 GLN B 63 4.252 -24.344 -0.960 1.00 0.00 H new ATOM 0 HE22 GLN B 63 4.305 -26.045 -0.486 1.00 0.00 H new ATOM 678 N LEU B 64 7.103 -21.075 -2.368 1.00 0.00 N ATOM 679 CA LEU B 64 6.672 -19.840 -1.722 1.00 0.00 C ATOM 680 C LEU B 64 7.691 -18.726 -1.942 1.00 0.00 C ATOM 681 O LEU B 64 8.679 -18.907 -2.652 1.00 0.00 O ATOM 682 CB LEU B 64 6.467 -20.070 -0.224 1.00 0.00 C ATOM 683 CG LEU B 64 5.358 -21.050 0.160 1.00 0.00 C ATOM 684 CD1 LEU B 64 5.684 -21.737 1.477 1.00 0.00 C ATOM 685 CD2 LEU B 64 4.019 -20.332 0.247 1.00 0.00 C ATOM 0 H LEU B 64 6.424 -21.469 -3.020 1.00 0.00 H new ATOM 0 HA LEU B 64 5.726 -19.536 -2.170 1.00 0.00 H new ATOM 0 HB2 LEU B 64 7.405 -20.430 0.199 1.00 0.00 H new ATOM 0 HB3 LEU B 64 6.254 -19.109 0.245 1.00 0.00 H new ATOM 0 HG LEU B 64 5.289 -21.813 -0.616 1.00 0.00 H new ATOM 0 HD11 LEU B 64 4.883 -22.431 1.734 1.00 0.00 H new ATOM 0 HD12 LEU B 64 6.621 -22.285 1.379 1.00 0.00 H new ATOM 0 HD13 LEU B 64 5.782 -20.989 2.263 1.00 0.00 H new ATOM 0 HD21 LEU B 64 3.241 -21.045 0.521 1.00 0.00 H new ATOM 0 HD22 LEU B 64 4.075 -19.548 1.002 1.00 0.00 H new ATOM 0 HD23 LEU B 64 3.780 -19.889 -0.720 1.00 0.00 H new ATOM 697 N ALA B 65 7.443 -17.574 -1.327 1.00 0.00 N ATOM 698 CA ALA B 65 8.340 -16.432 -1.453 1.00 0.00 C ATOM 699 C ALA B 65 8.244 -15.809 -2.841 1.00 0.00 C ATOM 700 O ALA B 65 9.231 -15.300 -3.374 1.00 0.00 O ATOM 701 CB ALA B 65 9.772 -16.852 -1.158 1.00 0.00 C ATOM 0 H ALA B 65 6.628 -17.407 -0.737 1.00 0.00 H new ATOM 0 HA ALA B 65 8.036 -15.680 -0.725 1.00 0.00 H new ATOM 0 HB1 ALA B 65 10.432 -15.990 -1.256 1.00 0.00 H new ATOM 0 HB2 ALA B 65 9.835 -17.244 -0.143 1.00 0.00 H new ATOM 0 HB3 ALA B 65 10.077 -17.624 -1.864 1.00 0.00 H new ATOM 707 N HIS B 66 7.050 -15.852 -3.423 1.00 0.00 N ATOM 708 CA HIS B 66 6.825 -15.291 -4.751 1.00 0.00 C ATOM 709 C HIS B 66 7.922 -15.727 -5.717 1.00 0.00 C ATOM 710 O HIS B 66 8.899 -15.008 -5.929 1.00 0.00 O ATOM 711 CB HIS B 66 6.769 -13.765 -4.680 1.00 0.00 C ATOM 712 CG HIS B 66 6.725 -13.104 -6.023 1.00 0.00 C ATOM 713 ND1 HIS B 66 5.880 -13.510 -7.034 1.00 0.00 N ATOM 714 CD2 HIS B 66 7.428 -12.058 -6.518 1.00 0.00 C ATOM 715 CE1 HIS B 66 6.066 -12.743 -8.094 1.00 0.00 C ATOM 716 NE2 HIS B 66 6.999 -11.854 -7.807 1.00 0.00 N ATOM 0 H HIS B 66 6.223 -16.269 -2.996 1.00 0.00 H new ATOM 0 HA HIS B 66 5.870 -15.665 -5.120 1.00 0.00 H new ATOM 0 HB2 HIS B 66 5.889 -13.468 -4.109 1.00 0.00 H new ATOM 0 HB3 HIS B 66 7.640 -13.403 -4.134 1.00 0.00 H new ATOM 0 HD2 HIS B 66 8.185 -11.490 -5.997 1.00 0.00 H new ATOM 0 HE1 HIS B 66 5.543 -12.829 -9.035 1.00 0.00 H new ATOM 0 HE2 HIS B 66 7.345 -11.133 -8.440 1.00 0.00 H new ATOM 724 N HIS B 67 7.755 -16.910 -6.300 1.00 0.00 N ATOM 725 CA HIS B 67 8.732 -17.442 -7.245 1.00 0.00 C ATOM 726 C HIS B 67 9.050 -16.419 -8.331 1.00 0.00 C ATOM 727 O HIS B 67 8.167 -15.996 -9.077 1.00 0.00 O ATOM 728 CB HIS B 67 8.210 -18.731 -7.879 1.00 0.00 C ATOM 729 CG HIS B 67 9.216 -19.422 -8.747 1.00 0.00 C ATOM 730 ND1 HIS B 67 10.541 -19.567 -8.394 1.00 0.00 N ATOM 731 CD2 HIS B 67 9.084 -20.010 -9.959 1.00 0.00 C ATOM 732 CE1 HIS B 67 11.181 -20.213 -9.353 1.00 0.00 C ATOM 733 NE2 HIS B 67 10.319 -20.494 -10.314 1.00 0.00 N ATOM 0 H HIS B 67 6.953 -17.518 -6.135 1.00 0.00 H new ATOM 0 HA HIS B 67 9.649 -17.661 -6.697 1.00 0.00 H new ATOM 0 HB2 HIS B 67 7.895 -19.413 -7.089 1.00 0.00 H new ATOM 0 HB3 HIS B 67 7.326 -18.501 -8.474 1.00 0.00 H new ATOM 0 HD2 HIS B 67 8.176 -20.085 -10.539 1.00 0.00 H new ATOM 0 HE1 HIS B 67 12.230 -20.468 -9.351 1.00 0.00 H new ATOM 0 HE2 HIS B 67 10.536 -20.990 -11.179 1.00 0.00 H new ATOM 741 N PHE B 68 10.316 -16.025 -8.413 1.00 0.00 N ATOM 742 CA PHE B 68 10.751 -15.050 -9.407 1.00 0.00 C ATOM 743 C PHE B 68 10.422 -15.528 -10.818 1.00 0.00 C ATOM 744 O PHE B 68 10.015 -16.673 -11.018 1.00 0.00 O ATOM 745 CB PHE B 68 12.254 -14.795 -9.280 1.00 0.00 C ATOM 746 CG PHE B 68 12.622 -13.340 -9.333 1.00 0.00 C ATOM 747 CD1 PHE B 68 12.193 -12.467 -8.346 1.00 0.00 C ATOM 748 CD2 PHE B 68 13.397 -12.845 -10.370 1.00 0.00 C ATOM 749 CE1 PHE B 68 12.530 -11.127 -8.392 1.00 0.00 C ATOM 750 CE2 PHE B 68 13.738 -11.507 -10.420 1.00 0.00 C ATOM 751 CZ PHE B 68 13.303 -10.646 -9.431 1.00 0.00 C ATOM 0 H PHE B 68 11.059 -16.366 -7.803 1.00 0.00 H new ATOM 0 HA PHE B 68 10.215 -14.119 -9.224 1.00 0.00 H new ATOM 0 HB2 PHE B 68 12.608 -15.217 -8.339 1.00 0.00 H new ATOM 0 HB3 PHE B 68 12.773 -15.322 -10.081 1.00 0.00 H new ATOM 0 HD1 PHE B 68 11.588 -12.838 -7.531 1.00 0.00 H new ATOM 0 HD2 PHE B 68 13.738 -13.512 -11.148 1.00 0.00 H new ATOM 0 HE1 PHE B 68 12.189 -10.457 -7.617 1.00 0.00 H new ATOM 0 HE2 PHE B 68 14.345 -11.134 -11.232 1.00 0.00 H new ATOM 0 HZ PHE B 68 13.567 -9.599 -9.470 1.00 0.00 H new ATOM 761 N SER B 69 10.601 -14.643 -11.794 1.00 0.00 N ATOM 762 CA SER B 69 10.320 -14.973 -13.186 1.00 0.00 C ATOM 763 C SER B 69 10.957 -13.953 -14.125 1.00 0.00 C ATOM 764 O SER B 69 11.792 -13.150 -13.711 1.00 0.00 O ATOM 765 CB SER B 69 8.810 -15.028 -13.424 1.00 0.00 C ATOM 766 OG SER B 69 8.511 -15.642 -14.666 1.00 0.00 O ATOM 0 H SER B 69 10.939 -13.692 -11.646 1.00 0.00 H new ATOM 0 HA SER B 69 10.750 -15.953 -13.396 1.00 0.00 H new ATOM 0 HB2 SER B 69 8.331 -15.582 -12.616 1.00 0.00 H new ATOM 0 HB3 SER B 69 8.399 -14.019 -13.405 1.00 0.00 H new ATOM 0 HG SER B 69 7.540 -15.666 -14.793 1.00 0.00 H new ATOM 772 N GLU B 70 10.557 -13.993 -15.392 1.00 0.00 N ATOM 773 CA GLU B 70 11.089 -13.074 -16.390 1.00 0.00 C ATOM 774 C GLU B 70 10.046 -12.770 -17.462 1.00 0.00 C ATOM 775 O GLU B 70 10.151 -13.208 -18.608 1.00 0.00 O ATOM 776 CB GLU B 70 12.346 -13.660 -17.037 1.00 0.00 C ATOM 777 CG GLU B 70 13.591 -13.530 -16.177 1.00 0.00 C ATOM 778 CD GLU B 70 14.871 -13.624 -16.985 1.00 0.00 C ATOM 779 OE1 GLU B 70 14.867 -13.187 -18.155 1.00 0.00 O ATOM 780 OE2 GLU B 70 15.876 -14.134 -16.448 1.00 0.00 O ATOM 0 H GLU B 70 9.866 -14.652 -15.751 1.00 0.00 H new ATOM 0 HA GLU B 70 11.349 -12.143 -15.887 1.00 0.00 H new ATOM 0 HB2 GLU B 70 12.174 -14.714 -17.255 1.00 0.00 H new ATOM 0 HB3 GLU B 70 12.520 -13.161 -17.990 1.00 0.00 H new ATOM 0 HG2 GLU B 70 13.567 -12.575 -15.651 1.00 0.00 H new ATOM 0 HG3 GLU B 70 13.587 -14.312 -15.418 1.00 0.00 H new ATOM 787 N PRO B 71 9.014 -12.003 -17.082 1.00 0.00 N ATOM 788 CA PRO B 71 7.932 -11.623 -17.995 1.00 0.00 C ATOM 789 C PRO B 71 8.394 -10.641 -19.066 1.00 0.00 C ATOM 790 O PRO B 71 9.543 -10.200 -19.061 1.00 0.00 O ATOM 791 CB PRO B 71 6.905 -10.962 -17.071 1.00 0.00 C ATOM 792 CG PRO B 71 7.700 -10.464 -15.915 1.00 0.00 C ATOM 793 CD PRO B 71 8.825 -11.446 -15.732 1.00 0.00 C ATOM 0 HA PRO B 71 7.543 -12.480 -18.545 1.00 0.00 H new ATOM 0 HB2 PRO B 71 6.386 -10.147 -17.575 1.00 0.00 H new ATOM 0 HB3 PRO B 71 6.144 -11.674 -16.751 1.00 0.00 H new ATOM 0 HG2 PRO B 71 8.084 -9.462 -16.108 1.00 0.00 H new ATOM 0 HG3 PRO B 71 7.086 -10.402 -15.017 1.00 0.00 H new ATOM 0 HD2 PRO B 71 9.729 -10.958 -15.368 1.00 0.00 H new ATOM 0 HD3 PRO B 71 8.569 -12.221 -15.010 1.00 0.00 H new ATOM 801 N GLU B 72 7.492 -10.304 -19.982 1.00 0.00 N ATOM 802 CA GLU B 72 7.809 -9.375 -21.060 1.00 0.00 C ATOM 803 C GLU B 72 6.544 -8.942 -21.796 1.00 0.00 C ATOM 804 O GLU B 72 6.174 -7.768 -21.778 1.00 0.00 O ATOM 805 CB GLU B 72 8.791 -10.015 -22.044 1.00 0.00 C ATOM 806 CG GLU B 72 9.696 -9.013 -22.740 1.00 0.00 C ATOM 807 CD GLU B 72 10.250 -9.540 -24.050 1.00 0.00 C ATOM 808 OE1 GLU B 72 10.189 -10.768 -24.268 1.00 0.00 O ATOM 809 OE2 GLU B 72 10.745 -8.724 -24.855 1.00 0.00 O ATOM 0 H GLU B 72 6.536 -10.660 -19.999 1.00 0.00 H new ATOM 0 HA GLU B 72 8.272 -8.492 -20.619 1.00 0.00 H new ATOM 0 HB2 GLU B 72 9.407 -10.739 -21.510 1.00 0.00 H new ATOM 0 HB3 GLU B 72 8.229 -10.568 -22.797 1.00 0.00 H new ATOM 0 HG2 GLU B 72 9.139 -8.095 -22.928 1.00 0.00 H new ATOM 0 HG3 GLU B 72 10.522 -8.754 -22.078 1.00 0.00 H new ATOM 816 N ILE B 73 5.886 -9.899 -22.442 1.00 0.00 N ATOM 817 CA ILE B 73 4.663 -9.617 -23.183 1.00 0.00 C ATOM 818 C ILE B 73 3.676 -8.825 -22.333 1.00 0.00 C ATOM 819 O ILE B 73 3.180 -7.777 -22.751 1.00 0.00 O ATOM 820 CB ILE B 73 3.985 -10.914 -23.663 1.00 0.00 C ATOM 821 CG1 ILE B 73 4.962 -11.750 -24.492 1.00 0.00 C ATOM 822 CG2 ILE B 73 2.737 -10.591 -24.472 1.00 0.00 C ATOM 823 CD1 ILE B 73 5.117 -13.169 -23.994 1.00 0.00 C ATOM 0 H ILE B 73 6.179 -10.876 -22.467 1.00 0.00 H new ATOM 0 HA ILE B 73 4.949 -9.023 -24.051 1.00 0.00 H new ATOM 0 HB ILE B 73 3.689 -11.496 -22.790 1.00 0.00 H new ATOM 0 HG12 ILE B 73 4.621 -11.772 -25.527 1.00 0.00 H new ATOM 0 HG13 ILE B 73 5.938 -11.264 -24.488 1.00 0.00 H new ATOM 0 HG21 ILE B 73 2.269 -11.518 -24.804 1.00 0.00 H new ATOM 0 HG22 ILE B 73 2.036 -10.032 -23.852 1.00 0.00 H new ATOM 0 HG23 ILE B 73 3.011 -9.991 -25.340 1.00 0.00 H new ATOM 0 HD11 ILE B 73 5.824 -13.702 -24.629 1.00 0.00 H new ATOM 0 HD12 ILE B 73 5.488 -13.156 -22.969 1.00 0.00 H new ATOM 0 HD13 ILE B 73 4.151 -13.673 -24.024 1.00 0.00 H new ATOM 835 N THR B 74 3.394 -9.331 -21.136 1.00 0.00 N ATOM 836 CA THR B 74 2.466 -8.670 -20.227 1.00 0.00 C ATOM 837 C THR B 74 2.802 -7.191 -20.077 1.00 0.00 C ATOM 838 O THR B 74 1.927 -6.331 -20.182 1.00 0.00 O ATOM 839 CB THR B 74 2.478 -9.331 -18.835 1.00 0.00 C ATOM 840 OG1 THR B 74 2.229 -10.736 -18.958 1.00 0.00 O ATOM 841 CG2 THR B 74 1.430 -8.703 -17.929 1.00 0.00 C ATOM 0 H THR B 74 3.795 -10.196 -20.774 1.00 0.00 H new ATOM 0 HA THR B 74 1.472 -8.771 -20.662 1.00 0.00 H new ATOM 0 HB THR B 74 3.461 -9.174 -18.391 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.240 -11.149 -18.069 1.00 0.00 H new ATOM 0 HG21 THR B 74 1.457 -9.186 -16.952 1.00 0.00 H new ATOM 0 HG22 THR B 74 1.639 -7.639 -17.814 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.442 -8.833 -18.371 1.00 0.00 H new ATOM 849 N LEU B 75 4.075 -6.901 -19.830 1.00 0.00 N ATOM 850 CA LEU B 75 4.527 -5.523 -19.666 1.00 0.00 C ATOM 851 C LEU B 75 4.165 -4.682 -20.886 1.00 0.00 C ATOM 852 O LEU B 75 3.604 -3.594 -20.757 1.00 0.00 O ATOM 853 CB LEU B 75 6.040 -5.486 -19.438 1.00 0.00 C ATOM 854 CG LEU B 75 6.540 -6.135 -18.147 1.00 0.00 C ATOM 855 CD1 LEU B 75 8.060 -6.172 -18.122 1.00 0.00 C ATOM 856 CD2 LEU B 75 6.003 -5.391 -16.933 1.00 0.00 C ATOM 0 H LEU B 75 4.812 -7.600 -19.739 1.00 0.00 H new ATOM 0 HA LEU B 75 4.023 -5.103 -18.796 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.526 -5.978 -20.280 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.363 -4.445 -19.447 1.00 0.00 H new ATOM 0 HG LEU B 75 6.171 -7.160 -18.112 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.397 -6.637 -17.196 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.424 -6.750 -18.972 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.450 -5.156 -18.180 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.369 -5.867 -16.023 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.341 -4.355 -16.962 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.913 -5.417 -16.943 1.00 0.00 H new ATOM 868 N ILE B 76 4.487 -5.195 -22.069 1.00 0.00 N ATOM 869 CA ILE B 76 4.192 -4.492 -23.311 1.00 0.00 C ATOM 870 C ILE B 76 2.705 -4.174 -23.423 1.00 0.00 C ATOM 871 O ILE B 76 2.324 -3.060 -23.783 1.00 0.00 O ATOM 872 CB ILE B 76 4.624 -5.315 -24.540 1.00 0.00 C ATOM 873 CG1 ILE B 76 6.093 -5.724 -24.416 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.395 -4.521 -25.817 1.00 0.00 C ATOM 875 CD1 ILE B 76 7.050 -4.553 -24.439 1.00 0.00 C ATOM 0 H ILE B 76 4.952 -6.094 -22.193 1.00 0.00 H new ATOM 0 HA ILE B 76 4.759 -3.561 -23.289 1.00 0.00 H new ATOM 0 HB ILE B 76 4.017 -6.219 -24.585 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.231 -6.277 -23.487 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.343 -6.403 -25.231 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.705 -5.116 -26.676 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.337 -4.276 -25.908 1.00 0.00 H new ATOM 0 HG23 ILE B 76 4.979 -3.601 -25.783 1.00 0.00 H new ATOM 0 HD11 ILE B 76 8.073 -4.917 -24.347 1.00 0.00 H new ATOM 0 HD12 ILE B 76 6.941 -4.012 -25.379 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.827 -3.884 -23.608 1.00 0.00 H new ATOM 887 N ILE B 77 1.870 -5.159 -23.112 1.00 0.00 N ATOM 888 CA ILE B 77 0.424 -4.983 -23.174 1.00 0.00 C ATOM 889 C ILE B 77 -0.047 -3.945 -22.162 1.00 0.00 C ATOM 890 O ILE B 77 -0.786 -3.021 -22.503 1.00 0.00 O ATOM 891 CB ILE B 77 -0.316 -6.309 -22.916 1.00 0.00 C ATOM 892 CG1 ILE B 77 0.011 -7.323 -24.015 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.817 -6.071 -22.837 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.596 -6.976 -25.356 1.00 0.00 C ATOM 0 H ILE B 77 2.170 -6.088 -22.814 1.00 0.00 H new ATOM 0 HA ILE B 77 0.191 -4.637 -24.181 1.00 0.00 H new ATOM 0 HB ILE B 77 0.019 -6.715 -21.962 1.00 0.00 H new ATOM 0 HG12 ILE B 77 1.093 -7.394 -24.122 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -0.344 -8.307 -23.708 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.326 -7.017 -22.654 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -2.033 -5.379 -22.023 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.168 -5.646 -23.777 1.00 0.00 H new ATOM 0 HD11 ILE B 77 -0.323 -7.737 -26.087 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -1.681 -6.934 -25.264 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -0.222 -6.007 -25.685 1.00 0.00 H new ATOM 906 N PHE B 78 0.386 -4.103 -20.915 1.00 0.00 N ATOM 907 CA PHE B 78 0.008 -3.179 -19.852 1.00 0.00 C ATOM 908 C PHE B 78 0.346 -1.741 -20.236 1.00 0.00 C ATOM 909 O PHE B 78 -0.483 -0.841 -20.107 1.00 0.00 O ATOM 910 CB PHE B 78 0.718 -3.550 -18.549 1.00 0.00 C ATOM 911 CG PHE B 78 0.579 -2.511 -17.473 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.498 -2.537 -16.602 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.526 -1.509 -17.333 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.629 -1.581 -15.612 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.401 -0.551 -16.344 1.00 0.00 C ATOM 916 CZ PHE B 78 0.322 -0.588 -15.482 1.00 0.00 C ATOM 0 H PHE B 78 0.999 -4.862 -20.616 1.00 0.00 H new ATOM 0 HA PHE B 78 -1.069 -3.254 -19.705 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.318 -4.496 -18.183 1.00 0.00 H new ATOM 0 HB3 PHE B 78 1.777 -3.710 -18.754 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -1.243 -3.313 -16.697 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.371 -1.476 -18.004 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.474 -1.611 -14.941 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.146 0.225 -16.245 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.222 0.158 -14.708 1.00 0.00 H new ATOM 926 N GLY B 79 1.571 -1.533 -20.709 1.00 0.00 N ATOM 927 CA GLY B 79 1.998 -0.203 -21.104 1.00 0.00 C ATOM 928 C GLY B 79 1.083 0.415 -22.143 1.00 0.00 C ATOM 929 O GLY B 79 0.567 1.516 -21.951 1.00 0.00 O ATOM 0 H GLY B 79 2.275 -2.262 -20.826 1.00 0.00 H new ATOM 0 HA2 GLY B 79 2.031 0.441 -20.225 1.00 0.00 H new ATOM 0 HA3 GLY B 79 3.012 -0.253 -21.501 1.00 0.00 H new ATOM 933 N VAL B 80 0.881 -0.295 -23.249 1.00 0.00 N ATOM 934 CA VAL B 80 0.023 0.190 -24.323 1.00 0.00 C ATOM 935 C VAL B 80 -1.410 0.379 -23.838 1.00 0.00 C ATOM 936 O VAL B 80 -2.111 1.288 -24.282 1.00 0.00 O ATOM 937 CB VAL B 80 0.024 -0.776 -25.523 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.809 -0.212 -26.664 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.448 -1.056 -25.979 1.00 0.00 C ATOM 0 H VAL B 80 1.300 -1.208 -23.424 1.00 0.00 H new ATOM 0 HA VAL B 80 0.426 1.152 -24.640 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.425 -1.718 -25.209 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.796 -0.908 -27.503 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.836 -0.067 -26.328 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.393 0.744 -26.980 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.430 -1.740 -26.827 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.925 -0.122 -26.276 1.00 0.00 H new ATOM 0 HG23 VAL B 80 2.010 -1.507 -25.161 1.00 0.00 H new ATOM 949 N MET B 81 -1.839 -0.485 -22.925 1.00 0.00 N ATOM 950 CA MET B 81 -3.189 -0.412 -22.378 1.00 0.00 C ATOM 951 C MET B 81 -3.379 0.868 -21.569 1.00 0.00 C ATOM 952 O MET B 81 -4.376 1.571 -21.728 1.00 0.00 O ATOM 953 CB MET B 81 -3.473 -1.631 -21.499 1.00 0.00 C ATOM 954 CG MET B 81 -3.776 -2.893 -22.290 1.00 0.00 C ATOM 955 SD MET B 81 -5.432 -2.884 -23.004 1.00 0.00 S ATOM 956 CE MET B 81 -6.344 -3.790 -21.757 1.00 0.00 C ATOM 0 H MET B 81 -1.272 -1.244 -22.548 1.00 0.00 H new ATOM 0 HA MET B 81 -3.892 -0.402 -23.211 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.612 -1.813 -20.856 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.318 -1.409 -20.847 1.00 0.00 H new ATOM 0 HG2 MET B 81 -3.041 -3.002 -23.088 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.670 -3.760 -21.638 1.00 0.00 H new ATOM 0 HE1 MET B 81 -7.389 -3.869 -22.056 1.00 0.00 H new ATOM 0 HE2 MET B 81 -5.921 -4.789 -21.651 1.00 0.00 H new ATOM 0 HE3 MET B 81 -6.278 -3.265 -20.804 1.00 0.00 H new ATOM 966 N ALA B 82 -2.416 1.163 -20.702 1.00 0.00 N ATOM 967 CA ALA B 82 -2.478 2.359 -19.870 1.00 0.00 C ATOM 968 C ALA B 82 -2.388 3.623 -20.719 1.00 0.00 C ATOM 969 O ALA B 82 -3.149 4.569 -20.522 1.00 0.00 O ATOM 970 CB ALA B 82 -1.365 2.337 -18.833 1.00 0.00 C ATOM 0 H ALA B 82 -1.584 0.591 -20.557 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.439 2.366 -19.356 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.423 3.235 -18.218 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.475 1.457 -18.200 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.399 2.303 -19.337 1.00 0.00 H new ATOM 976 N GLY B 83 -1.452 3.631 -21.663 1.00 0.00 N ATOM 977 CA GLY B 83 -1.280 4.785 -22.526 1.00 0.00 C ATOM 978 C GLY B 83 -2.507 5.066 -23.370 1.00 0.00 C ATOM 979 O GLY B 83 -3.016 6.187 -23.386 1.00 0.00 O ATOM 0 H GLY B 83 -0.810 2.860 -21.845 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.054 5.660 -21.917 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.423 4.622 -23.179 1.00 0.00 H new ATOM 983 N VAL B 84 -2.985 4.045 -24.075 1.00 0.00 N ATOM 984 CA VAL B 84 -4.160 4.187 -24.926 1.00 0.00 C ATOM 985 C VAL B 84 -5.336 4.767 -24.147 1.00 0.00 C ATOM 986 O VAL B 84 -5.875 5.814 -24.506 1.00 0.00 O ATOM 987 CB VAL B 84 -4.579 2.836 -25.535 1.00 0.00 C ATOM 988 CG1 VAL B 84 -5.948 2.946 -26.190 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.538 2.358 -26.536 1.00 0.00 C ATOM 0 H VAL B 84 -2.576 3.111 -24.073 1.00 0.00 H new ATOM 0 HA VAL B 84 -3.887 4.871 -25.730 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.645 2.101 -24.733 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.227 1.982 -26.615 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.686 3.241 -25.444 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -5.914 3.695 -26.982 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.850 1.402 -26.957 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.439 3.092 -27.336 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.578 2.237 -26.033 1.00 0.00 H new ATOM 999 N ILE B 85 -5.727 4.080 -23.079 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.838 4.528 -22.248 1.00 0.00 C ATOM 1001 C ILE B 85 -6.609 5.949 -21.744 1.00 0.00 C ATOM 1002 O ILE B 85 -7.529 6.764 -21.713 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.050 3.595 -21.042 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.383 2.179 -21.517 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.156 4.132 -20.145 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -8.701 2.082 -22.252 1.00 0.00 C ATOM 0 H ILE B 85 -5.291 3.211 -22.769 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.730 4.507 -22.874 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.126 3.557 -20.464 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -6.585 1.827 -22.171 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -7.407 1.512 -20.655 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.294 3.462 -19.297 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.882 5.123 -19.783 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.085 4.196 -20.712 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -8.871 1.050 -22.559 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -9.509 2.403 -21.594 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -8.674 2.723 -23.133 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.372 6.239 -21.350 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.043 7.562 -20.853 1.00 0.00 C ATOM 1020 C GLY B 86 -5.331 8.650 -21.868 1.00 0.00 C ATOM 1021 O GLY B 86 -6.011 9.631 -21.564 1.00 0.00 O ATOM 0 H GLY B 86 -4.593 5.581 -21.366 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.612 7.757 -19.944 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -3.988 7.593 -20.581 1.00 0.00 H new ATOM 1025 N THR B 87 -4.811 8.480 -23.080 1.00 0.00 N ATOM 1026 CA THR B 87 -5.013 9.456 -24.143 1.00 0.00 C ATOM 1027 C THR B 87 -6.497 9.682 -24.408 1.00 0.00 C ATOM 1028 O THR B 87 -6.949 10.820 -24.534 1.00 0.00 O ATOM 1029 CB THR B 87 -4.331 9.012 -25.451 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.056 8.427 -25.164 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.153 10.191 -26.395 1.00 0.00 C ATOM 0 H THR B 87 -4.246 7.674 -23.349 1.00 0.00 H new ATOM 0 HA THR B 87 -4.561 10.389 -23.805 1.00 0.00 H new ATOM 0 HB THR B 87 -4.969 8.272 -25.935 1.00 0.00 H new ATOM 0 HG1 THR B 87 -2.633 8.911 -24.424 1.00 0.00 H new ATOM 0 HG21 THR B 87 -3.669 9.853 -27.312 1.00 0.00 H new ATOM 0 HG22 THR B 87 -5.128 10.616 -26.634 1.00 0.00 H new ATOM 0 HG23 THR B 87 -3.534 10.950 -25.917 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.251 8.590 -24.490 1.00 0.00 N ATOM 1040 CA ILE B 88 -8.685 8.670 -24.738 1.00 0.00 C ATOM 1041 C ILE B 88 -9.367 9.589 -23.730 1.00 0.00 C ATOM 1042 O ILE B 88 -10.111 10.497 -24.104 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.345 7.280 -24.677 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -8.728 6.352 -25.725 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -10.848 7.398 -24.884 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -8.955 4.884 -25.441 1.00 0.00 C ATOM 0 H ILE B 88 -6.892 7.641 -24.388 1.00 0.00 H new ATOM 0 HA ILE B 88 -8.809 9.079 -25.741 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.167 6.852 -23.691 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -9.145 6.593 -26.703 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -7.656 6.542 -25.780 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.300 6.407 -24.838 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.274 8.028 -24.103 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.047 7.843 -25.859 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -8.490 4.286 -26.225 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -8.513 4.627 -24.478 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -10.025 4.680 -25.415 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.108 9.349 -22.449 1.00 0.00 N ATOM 1059 CA LEU B 89 -9.695 10.156 -21.385 1.00 0.00 C ATOM 1060 C LEU B 89 -9.363 11.633 -21.576 1.00 0.00 C ATOM 1061 O LEU B 89 -10.253 12.484 -21.593 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.193 9.681 -20.021 1.00 0.00 C ATOM 1063 CG LEU B 89 -9.807 8.382 -19.495 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -8.877 7.720 -18.492 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.167 8.651 -18.868 1.00 0.00 C ATOM 0 H LEU B 89 -8.495 8.602 -22.122 1.00 0.00 H new ATOM 0 HA LEU B 89 -10.778 10.037 -21.428 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.112 9.551 -20.079 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.381 10.469 -19.292 1.00 0.00 H new ATOM 0 HG LEU B 89 -9.945 7.701 -20.335 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.331 6.798 -18.129 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -7.926 7.492 -18.973 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -8.706 8.395 -17.653 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.589 7.716 -18.499 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.054 9.350 -18.039 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -11.834 9.080 -19.616 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.076 11.930 -21.720 1.00 0.00 N ATOM 1078 CA LEU B 90 -7.625 13.304 -21.912 1.00 0.00 C ATOM 1079 C LEU B 90 -8.288 13.929 -23.135 1.00 0.00 C ATOM 1080 O LEU B 90 -8.868 15.012 -23.054 1.00 0.00 O ATOM 1081 CB LEU B 90 -6.104 13.346 -22.066 1.00 0.00 C ATOM 1082 CG LEU B 90 -5.294 12.898 -20.848 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -3.951 12.331 -21.280 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -5.100 14.057 -19.881 1.00 0.00 C ATOM 0 H LEU B 90 -7.327 11.238 -21.707 1.00 0.00 H new ATOM 0 HA LEU B 90 -7.911 13.880 -21.032 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -5.827 12.718 -22.913 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -5.812 14.366 -22.317 1.00 0.00 H new ATOM 0 HG LEU B 90 -5.849 12.112 -20.335 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -3.389 12.018 -20.401 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -4.111 11.473 -21.933 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -3.389 13.095 -21.817 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -4.522 13.720 -19.021 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -4.567 14.864 -20.383 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -6.072 14.418 -19.546 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.201 13.239 -24.267 1.00 0.00 N ATOM 1097 CA ILE B 91 -8.795 13.724 -25.506 1.00 0.00 C ATOM 1098 C ILE B 91 -10.283 14.006 -25.328 1.00 0.00 C ATOM 1099 O ILE B 91 -10.775 15.068 -25.711 1.00 0.00 O ATOM 1100 CB ILE B 91 -8.609 12.715 -26.654 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -7.348 13.046 -27.455 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -9.832 12.710 -27.559 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -6.104 13.162 -26.602 1.00 0.00 C ATOM 0 H ILE B 91 -7.724 12.341 -24.351 1.00 0.00 H new ATOM 0 HA ILE B 91 -8.279 14.650 -25.761 1.00 0.00 H new ATOM 0 HB ILE B 91 -8.494 11.719 -26.227 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -7.192 12.273 -28.208 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -7.502 13.984 -27.988 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -9.685 11.992 -28.366 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -10.712 12.430 -26.980 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -9.977 13.705 -27.981 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -5.249 13.398 -27.236 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -6.240 13.955 -25.866 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -5.925 12.217 -26.089 1.00 0.00 H new ATOM 1115 N SER B 92 -10.995 13.048 -24.743 1.00 0.00 N ATOM 1116 CA SER B 92 -12.428 13.192 -24.515 1.00 0.00 C ATOM 1117 C SER B 92 -12.729 14.463 -23.726 1.00 0.00 C ATOM 1118 O SER B 92 -13.801 15.053 -23.862 1.00 0.00 O ATOM 1119 CB SER B 92 -12.972 11.973 -23.767 1.00 0.00 C ATOM 1120 OG SER B 92 -12.859 12.143 -22.365 1.00 0.00 O ATOM 0 H SER B 92 -10.603 12.164 -24.418 1.00 0.00 H new ATOM 0 HA SER B 92 -12.919 13.263 -25.485 1.00 0.00 H new ATOM 0 HB2 SER B 92 -14.017 11.815 -24.034 1.00 0.00 H new ATOM 0 HB3 SER B 92 -12.426 11.081 -24.074 1.00 0.00 H new ATOM 0 HG SER B 92 -11.912 12.197 -22.117 1.00 0.00 H new ATOM 1126 N TYR B 93 -11.774 14.879 -22.902 1.00 0.00 N ATOM 1127 CA TYR B 93 -11.936 16.078 -22.088 1.00 0.00 C ATOM 1128 C TYR B 93 -11.842 17.336 -22.947 1.00 0.00 C ATOM 1129 O TYR B 93 -12.546 18.316 -22.711 1.00 0.00 O ATOM 1130 CB TYR B 93 -10.875 16.119 -20.986 1.00 0.00 C ATOM 1131 CG TYR B 93 -11.249 17.005 -19.820 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -12.400 16.764 -19.080 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -10.451 18.083 -19.457 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -12.746 17.571 -18.013 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -10.788 18.895 -18.391 1.00 0.00 C ATOM 1136 CZ TYR B 93 -11.936 18.635 -17.673 1.00 0.00 C ATOM 1137 OH TYR B 93 -12.276 19.442 -16.611 1.00 0.00 O ATOM 0 H TYR B 93 -10.880 14.404 -22.780 1.00 0.00 H new ATOM 0 HA TYR B 93 -12.925 16.045 -21.630 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -10.702 15.106 -20.622 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -9.935 16.470 -21.411 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -13.035 15.931 -19.343 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -9.552 18.290 -20.018 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -13.645 17.370 -17.449 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -10.156 19.728 -18.122 1.00 0.00 H new ATOM 0 HH TYR B 93 -11.600 20.144 -16.504 1.00 0.00 H new ATOM 1147 N GLY B 94 -10.965 17.298 -23.946 1.00 0.00 N ATOM 1148 CA GLY B 94 -10.794 18.439 -24.826 1.00 0.00 C ATOM 1149 C GLY B 94 -12.036 18.733 -25.643 1.00 0.00 C ATOM 1150 O GLY B 94 -12.378 19.894 -25.871 1.00 0.00 O ATOM 0 H GLY B 94 -10.370 16.498 -24.161 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -10.537 19.316 -24.232 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -9.956 18.253 -25.498 1.00 0.00 H new ATOM 1154 N ILE B 95 -12.713 17.679 -26.087 1.00 0.00 N ATOM 1155 CA ILE B 95 -13.924 17.829 -26.884 1.00 0.00 C ATOM 1156 C ILE B 95 -15.041 18.474 -26.070 1.00 0.00 C ATOM 1157 O ILE B 95 -15.879 19.197 -26.610 1.00 0.00 O ATOM 1158 CB ILE B 95 -14.414 16.473 -27.425 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -13.334 15.825 -28.293 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -15.701 16.653 -28.217 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -12.936 16.663 -29.488 1.00 0.00 C ATOM 0 H ILE B 95 -12.443 16.712 -25.908 1.00 0.00 H new ATOM 0 HA ILE B 95 -13.671 18.475 -27.725 1.00 0.00 H new ATOM 0 HB ILE B 95 -14.619 15.814 -26.581 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -12.452 15.637 -27.681 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -13.692 14.856 -28.642 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -16.035 15.686 -28.593 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -16.470 17.076 -27.571 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -15.521 17.326 -29.055 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -12.167 16.142 -30.058 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -13.807 16.830 -30.122 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -12.547 17.622 -29.146 1.00 0.00 H new ATOM 1173 N ARG B 96 -15.047 18.207 -24.768 1.00 0.00 N ATOM 1174 CA ARG B 96 -16.060 18.761 -23.879 1.00 0.00 C ATOM 1175 C ARG B 96 -15.795 20.239 -23.606 1.00 0.00 C ATOM 1176 O ARG B 96 -16.726 21.025 -23.432 1.00 0.00 O ATOM 1177 CB ARG B 96 -16.092 17.986 -22.561 1.00 0.00 C ATOM 1178 CG ARG B 96 -17.226 16.978 -22.475 1.00 0.00 C ATOM 1179 CD ARG B 96 -18.548 17.653 -22.143 1.00 0.00 C ATOM 1180 NE ARG B 96 -18.706 17.871 -20.708 1.00 0.00 N ATOM 1181 CZ ARG B 96 -19.832 18.300 -20.149 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -20.894 18.555 -20.902 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -19.899 18.474 -18.836 1.00 0.00 N ATOM 0 H ARG B 96 -14.361 17.610 -24.306 1.00 0.00 H new ATOM 0 HA ARG B 96 -17.028 18.668 -24.371 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -15.143 17.465 -22.433 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -16.182 18.693 -21.736 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -17.315 16.447 -23.423 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -16.995 16.233 -21.713 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -18.608 18.609 -22.664 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -19.371 17.039 -22.509 1.00 0.00 H new ATOM 0 HE ARG B 96 -17.908 17.684 -20.101 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -20.847 18.422 -21.912 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -21.758 18.884 -20.471 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -19.085 18.278 -18.253 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -20.765 18.804 -18.409 1.00 0.00 H new ATOM 1197 N ARG B 97 -14.519 20.609 -23.571 1.00 0.00 N ATOM 1198 CA ARG B 97 -14.131 21.992 -23.317 1.00 0.00 C ATOM 1199 C ARG B 97 -14.578 22.435 -21.927 1.00 0.00 C ATOM 1200 O ARG B 97 -14.818 23.620 -21.689 1.00 0.00 O ATOM 1201 CB ARG B 97 -14.734 22.915 -24.377 1.00 0.00 C ATOM 1202 CG ARG B 97 -13.882 24.139 -24.674 1.00 0.00 C ATOM 1203 CD ARG B 97 -14.500 24.995 -25.769 1.00 0.00 C ATOM 1204 NE ARG B 97 -13.754 26.232 -25.982 1.00 0.00 N ATOM 1205 CZ ARG B 97 -14.260 27.300 -26.590 1.00 0.00 C ATOM 1206 NH1 ARG B 97 -15.507 27.281 -27.041 1.00 0.00 N ATOM 1207 NH2 ARG B 97 -13.519 28.389 -26.746 1.00 0.00 N ATOM 0 H ARG B 97 -13.736 19.971 -23.715 1.00 0.00 H new ATOM 0 HA ARG B 97 -13.044 22.054 -23.367 1.00 0.00 H new ATOM 0 HB2 ARG B 97 -14.878 22.351 -25.298 1.00 0.00 H new ATOM 0 HB3 ARG B 97 -15.720 23.241 -24.045 1.00 0.00 H new ATOM 0 HG2 ARG B 97 -13.768 24.733 -23.767 1.00 0.00 H new ATOM 0 HG3 ARG B 97 -12.883 23.824 -24.977 1.00 0.00 H new ATOM 0 HD2 ARG B 97 -14.533 24.427 -26.699 1.00 0.00 H new ATOM 0 HD3 ARG B 97 -15.530 25.234 -25.505 1.00 0.00 H new ATOM 0 HE ARG B 97 -12.792 26.279 -25.646 1.00 0.00 H new ATOM 0 HH11 ARG B 97 -16.080 26.446 -26.922 1.00 0.00 H new ATOM 0 HH12 ARG B 97 -15.893 28.102 -27.507 1.00 0.00 H new ATOM 0 HH21 ARG B 97 -12.560 28.407 -26.399 1.00 0.00 H new ATOM 0 HH22 ARG B 97 -13.908 29.208 -27.213 1.00 0.00 H new ATOM 1221 N LEU B 98 -14.687 21.478 -21.013 1.00 0.00 N ATOM 1222 CA LEU B 98 -15.106 21.769 -19.646 1.00 0.00 C ATOM 1223 C LEU B 98 -14.691 20.648 -18.699 1.00 0.00 C ATOM 1224 O LEU B 98 -15.068 19.492 -18.887 1.00 0.00 O ATOM 1225 CB LEU B 98 -16.621 21.968 -19.587 1.00 0.00 C ATOM 1226 CG LEU B 98 -17.104 23.253 -18.913 1.00 0.00 C ATOM 1227 CD1 LEU B 98 -18.560 23.524 -19.262 1.00 0.00 C ATOM 1228 CD2 LEU B 98 -16.923 23.165 -17.405 1.00 0.00 C ATOM 0 H LEU B 98 -14.491 20.493 -21.193 1.00 0.00 H new ATOM 0 HA LEU B 98 -14.613 22.688 -19.329 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -17.010 21.947 -20.605 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -17.059 21.119 -19.061 1.00 0.00 H new ATOM 0 HG LEU B 98 -16.502 24.083 -19.283 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -18.886 24.442 -18.774 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -18.661 23.632 -20.342 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -19.177 22.693 -18.921 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -17.272 24.088 -16.942 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -17.499 22.325 -17.018 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -15.868 23.019 -17.173 1.00 0.00 H new TER 1240 LEU B 98