USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 944 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 THR OG1 : rot -54:sc= -1.09 USER MOD Set 1.2: A 75 LYS NZ :NH3+ -164:sc= -0.309 (180deg=-0.958) USER MOD Set 2.1: A 41 GLN : amide:sc= -13.6! C(o=-36!,f=-27!) USER MOD Set 2.2: A 47 HIS : no HD1:sc= -6.81! K(o=-36!,f=-27) USER MOD Set 2.3: A 50 GLN : amide:sc= -2.15! K(o=-36!,f=-28) USER MOD Set 2.4: A 51 GLN : amide:sc= -13.1! C(o=-36!,f=-27!) USER MOD Set 3.1: A 31 TYR OH : rot 59:sc= -5.92! USER MOD Set 3.2: A 94 THR OG1 : rot -69:sc= -2.04! USER MOD Set 4.1: A 15 ASN : amide:sc= -10.8! C(o=-17!,f=-4.1!) USER MOD Set 4.2: A 107 ASN : amide:sc= -6.33! K(o=-17!,f=-4.1) USER MOD Single : A 3 THR OG1 : rot 13:sc= 0.802 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.111) USER MOD Single : A 10 CYS SG : rot -102:sc= -0.409 USER MOD Single : A 14 TYR OH : rot 60:sc= -3.87! USER MOD Single : A 28 THR OG1 : rot -159:sc= -0.705 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0167 USER MOD Single : A 45 TYR OH : rot 27:sc= 1.33 USER MOD Single : A 46 GLN : amide:sc= -0.903 K(o=-0.9,f=-0.13) USER MOD Single : A 52 CYS SG : rot -132:sc= -3.4! USER MOD Single : A 53 THR OG1 : rot 180:sc=0.000627 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00706 USER MOD Single : A 74 SER OG : rot -38:sc= -0.0563 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -9.6! C(o=-9.6!,f=-14!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 12:sc= 0.496 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 109:sc= -0.216 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -3.51! C(o=-3.5!,f=-2.9!) USER MOD Single : A 110 LYS NZ :NH3+ 170:sc= 0.0519 (180deg=0.0273) USER MOD Single : A 115 SER OG : rot 75:sc= 0.465 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N THR A 3 -9.805 -16.806 5.576 1.00 0.00 N ATOM 31 CA THR A 3 -8.917 -15.625 5.388 1.00 0.00 C ATOM 32 C THR A 3 -9.132 -14.637 6.537 1.00 0.00 C ATOM 33 O THR A 3 -10.229 -14.482 7.035 1.00 0.00 O ATOM 34 CB THR A 3 -9.249 -14.942 4.059 1.00 0.00 C ATOM 35 OG1 THR A 3 -9.793 -15.900 3.161 1.00 0.00 O ATOM 36 CG2 THR A 3 -7.977 -14.341 3.459 1.00 0.00 C ATOM 0 HA THR A 3 -7.877 -15.951 5.379 1.00 0.00 H new ATOM 0 HB THR A 3 -9.976 -14.148 4.229 1.00 0.00 H new ATOM 0 HG1 THR A 3 -10.025 -16.715 3.653 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.215 -13.855 2.513 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.561 -13.607 4.149 1.00 0.00 H new ATOM 0 HG23 THR A 3 -7.247 -15.132 3.287 1.00 0.00 H new ATOM 44 N LYS A 4 -8.093 -13.970 6.960 1.00 0.00 N ATOM 45 CA LYS A 4 -8.234 -12.992 8.076 1.00 0.00 C ATOM 46 C LYS A 4 -7.516 -11.692 7.708 1.00 0.00 C ATOM 47 O LYS A 4 -6.369 -11.698 7.306 1.00 0.00 O ATOM 48 CB LYS A 4 -7.613 -13.575 9.347 1.00 0.00 C ATOM 49 CG LYS A 4 -8.715 -13.873 10.365 1.00 0.00 C ATOM 50 CD LYS A 4 -9.272 -12.558 10.915 1.00 0.00 C ATOM 51 CE LYS A 4 -10.798 -12.636 10.983 1.00 0.00 C ATOM 52 NZ LYS A 4 -11.307 -11.603 11.927 1.00 0.00 N ATOM 0 H LYS A 4 -7.151 -14.060 6.580 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.291 -12.788 8.249 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.065 -14.487 9.111 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.895 -12.872 9.769 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.512 -14.450 9.896 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.319 -14.481 11.178 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.863 -12.365 11.907 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.968 -11.728 10.277 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.225 -12.480 9.992 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.108 -13.628 11.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.345 -11.656 11.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.909 -11.771 12.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.023 -10.659 11.595 1.00 0.00 H new ATOM 66 N ILE A 5 -8.184 -10.578 7.840 1.00 0.00 N ATOM 67 CA ILE A 5 -7.545 -9.276 7.495 1.00 0.00 C ATOM 68 C ILE A 5 -7.235 -8.499 8.775 1.00 0.00 C ATOM 69 O ILE A 5 -8.053 -8.404 9.668 1.00 0.00 O ATOM 70 CB ILE A 5 -8.500 -8.459 6.624 1.00 0.00 C ATOM 71 CG1 ILE A 5 -7.774 -7.222 6.087 1.00 0.00 C ATOM 72 CG2 ILE A 5 -9.702 -8.017 7.462 1.00 0.00 C ATOM 73 CD1 ILE A 5 -7.045 -7.579 4.790 1.00 0.00 C ATOM 0 H ILE A 5 -9.146 -10.514 8.172 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.618 -9.460 6.951 1.00 0.00 H new ATOM 0 HB ILE A 5 -8.841 -9.071 5.789 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -8.488 -6.419 5.906 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.063 -6.855 6.827 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -10.383 -7.434 6.842 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -10.221 -8.895 7.845 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.359 -7.406 8.297 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.529 -6.698 4.409 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.319 -8.368 4.986 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.767 -7.925 4.050 1.00 0.00 H new ATOM 85 N ASP A 6 -6.063 -7.931 8.865 1.00 0.00 N ATOM 86 CA ASP A 6 -5.708 -7.148 10.081 1.00 0.00 C ATOM 87 C ASP A 6 -5.936 -5.665 9.791 1.00 0.00 C ATOM 88 O ASP A 6 -5.081 -4.836 10.034 1.00 0.00 O ATOM 89 CB ASP A 6 -4.238 -7.383 10.432 1.00 0.00 C ATOM 90 CG ASP A 6 -4.026 -8.855 10.788 1.00 0.00 C ATOM 91 OD1 ASP A 6 -4.995 -9.500 11.156 1.00 0.00 O ATOM 92 OD2 ASP A 6 -2.900 -9.314 10.689 1.00 0.00 O ATOM 0 H ASP A 6 -5.337 -7.976 8.150 1.00 0.00 H new ATOM 0 HA ASP A 6 -6.328 -7.463 10.921 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.604 -7.107 9.590 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.948 -6.750 11.271 1.00 0.00 H new ATOM 97 N LYS A 7 -7.081 -5.328 9.261 1.00 0.00 N ATOM 98 CA LYS A 7 -7.370 -3.902 8.938 1.00 0.00 C ATOM 99 C LYS A 7 -6.842 -3.001 10.054 1.00 0.00 C ATOM 100 O LYS A 7 -6.558 -1.839 9.843 1.00 0.00 O ATOM 101 CB LYS A 7 -8.881 -3.706 8.794 1.00 0.00 C ATOM 102 CG LYS A 7 -9.233 -3.508 7.318 1.00 0.00 C ATOM 103 CD LYS A 7 -8.598 -2.211 6.809 1.00 0.00 C ATOM 104 CE LYS A 7 -9.688 -1.279 6.285 1.00 0.00 C ATOM 105 NZ LYS A 7 -9.060 -0.128 5.576 1.00 0.00 N ATOM 0 H LYS A 7 -7.831 -5.982 9.037 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.878 -3.639 8.001 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.410 -4.572 9.192 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.203 -2.841 9.375 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.876 -4.354 6.732 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -10.315 -3.468 7.194 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.045 -1.725 7.613 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.882 -2.431 6.017 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.349 -1.820 5.608 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.302 -0.920 7.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.778 0.604 5.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.299 0.269 6.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.664 -0.452 4.670 1.00 0.00 H new ATOM 119 N GLU A 8 -6.703 -3.525 11.241 1.00 0.00 N ATOM 120 CA GLU A 8 -6.188 -2.689 12.358 1.00 0.00 C ATOM 121 C GLU A 8 -4.946 -1.933 11.884 1.00 0.00 C ATOM 122 O GLU A 8 -4.745 -0.781 12.212 1.00 0.00 O ATOM 123 CB GLU A 8 -5.821 -3.586 13.543 1.00 0.00 C ATOM 124 CG GLU A 8 -7.055 -3.801 14.422 1.00 0.00 C ATOM 125 CD GLU A 8 -8.165 -4.452 13.593 1.00 0.00 C ATOM 126 OE1 GLU A 8 -8.618 -3.825 12.649 1.00 0.00 O ATOM 127 OE2 GLU A 8 -8.543 -5.566 13.916 1.00 0.00 O ATOM 0 H GLU A 8 -6.923 -4.491 11.483 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.954 -1.979 12.670 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -5.445 -4.544 13.185 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.022 -3.128 14.126 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -6.803 -4.434 15.273 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -7.398 -2.848 14.825 1.00 0.00 H new ATOM 134 N ALA A 9 -4.112 -2.574 11.111 1.00 0.00 N ATOM 135 CA ALA A 9 -2.884 -1.893 10.613 1.00 0.00 C ATOM 136 C ALA A 9 -3.262 -0.913 9.501 1.00 0.00 C ATOM 137 O ALA A 9 -2.995 0.269 9.586 1.00 0.00 O ATOM 138 CB ALA A 9 -1.909 -2.936 10.064 1.00 0.00 C ATOM 0 H ALA A 9 -4.228 -3.539 10.803 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.411 -1.350 11.432 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.011 -2.438 9.700 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.640 -3.635 10.856 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.380 -3.479 9.245 1.00 0.00 H new ATOM 144 N CYS A 10 -3.883 -1.392 8.455 1.00 0.00 N ATOM 145 CA CYS A 10 -4.272 -0.481 7.344 1.00 0.00 C ATOM 146 C CYS A 10 -5.059 0.704 7.906 1.00 0.00 C ATOM 147 O CYS A 10 -4.585 1.822 7.906 1.00 0.00 O ATOM 148 CB CYS A 10 -5.137 -1.240 6.336 1.00 0.00 C ATOM 149 SG CYS A 10 -4.832 -3.017 6.496 1.00 0.00 S ATOM 0 H CYS A 10 -4.136 -2.371 8.324 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.374 -0.115 6.845 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -6.191 -1.024 6.510 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -4.907 -0.911 5.323 1.00 0.00 H new ATOM 0 HG CYS A 10 -4.057 -3.413 5.530 1.00 0.00 H new ATOM 155 N ARG A 11 -6.259 0.484 8.378 1.00 0.00 N ATOM 156 CA ARG A 11 -7.055 1.620 8.924 1.00 0.00 C ATOM 157 C ARG A 11 -6.160 2.487 9.810 1.00 0.00 C ATOM 158 O ARG A 11 -5.999 3.668 9.577 1.00 0.00 O ATOM 159 CB ARG A 11 -8.219 1.074 9.753 1.00 0.00 C ATOM 160 CG ARG A 11 -8.603 2.094 10.827 1.00 0.00 C ATOM 161 CD ARG A 11 -10.015 1.796 11.333 1.00 0.00 C ATOM 162 NE ARG A 11 -10.412 2.825 12.334 1.00 0.00 N ATOM 163 CZ ARG A 11 -11.664 2.952 12.679 1.00 0.00 C ATOM 164 NH1 ARG A 11 -12.569 2.177 12.147 1.00 0.00 N ATOM 165 NH2 ARG A 11 -12.010 3.853 13.557 1.00 0.00 N ATOM 0 H ARG A 11 -6.718 -0.426 8.408 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.445 2.221 8.102 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -9.074 0.869 9.109 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.937 0.129 10.218 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.893 2.053 11.653 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.557 3.103 10.418 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.718 1.793 10.500 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.050 0.804 11.783 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.705 3.431 12.750 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.298 1.472 11.462 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.548 2.276 12.417 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.302 4.458 13.973 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.989 3.953 13.827 1.00 0.00 H new ATOM 179 N ALA A 12 -5.570 1.912 10.822 1.00 0.00 N ATOM 180 CA ALA A 12 -4.684 2.711 11.712 1.00 0.00 C ATOM 181 C ALA A 12 -3.646 3.441 10.858 1.00 0.00 C ATOM 182 O ALA A 12 -3.484 4.641 10.952 1.00 0.00 O ATOM 183 CB ALA A 12 -3.972 1.780 12.695 1.00 0.00 C ATOM 0 H ALA A 12 -5.663 0.927 11.070 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.279 3.435 12.269 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.323 2.366 13.346 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.712 1.253 13.298 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.373 1.057 12.142 1.00 0.00 H new ATOM 189 N ALA A 13 -2.944 2.726 10.022 1.00 0.00 N ATOM 190 CA ALA A 13 -1.920 3.380 9.160 1.00 0.00 C ATOM 191 C ALA A 13 -2.610 4.342 8.192 1.00 0.00 C ATOM 192 O ALA A 13 -1.993 5.226 7.632 1.00 0.00 O ATOM 193 CB ALA A 13 -1.171 2.311 8.361 1.00 0.00 C ATOM 0 H ALA A 13 -3.035 1.718 9.899 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.217 3.931 9.785 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.421 2.787 7.729 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.681 1.620 9.047 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.876 1.763 7.736 1.00 0.00 H new ATOM 199 N TYR A 14 -3.886 4.170 7.987 1.00 0.00 N ATOM 200 CA TYR A 14 -4.618 5.064 7.048 1.00 0.00 C ATOM 201 C TYR A 14 -4.814 6.439 7.691 1.00 0.00 C ATOM 202 O TYR A 14 -4.426 7.454 7.149 1.00 0.00 O ATOM 203 CB TYR A 14 -5.992 4.460 6.743 1.00 0.00 C ATOM 204 CG TYR A 14 -6.425 4.795 5.330 1.00 0.00 C ATOM 205 CD1 TYR A 14 -5.994 5.977 4.705 1.00 0.00 C ATOM 206 CD2 TYR A 14 -7.267 3.912 4.642 1.00 0.00 C ATOM 207 CE1 TYR A 14 -6.402 6.265 3.401 1.00 0.00 C ATOM 208 CE2 TYR A 14 -7.672 4.204 3.335 1.00 0.00 C ATOM 209 CZ TYR A 14 -7.237 5.382 2.715 1.00 0.00 C ATOM 210 OH TYR A 14 -7.628 5.673 1.426 1.00 0.00 O ATOM 0 H TYR A 14 -4.454 3.448 8.430 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.042 5.168 6.129 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.955 3.378 6.870 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.727 4.839 7.453 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.348 6.663 5.233 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.604 3.005 5.121 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -6.070 7.174 2.922 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.320 3.522 2.805 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.836 5.748 0.853 1.00 0.00 H new ATOM 220 N ASN A 15 -5.423 6.476 8.843 1.00 0.00 N ATOM 221 CA ASN A 15 -5.660 7.781 9.520 1.00 0.00 C ATOM 222 C ASN A 15 -4.369 8.266 10.184 1.00 0.00 C ATOM 223 O ASN A 15 -4.229 9.428 10.509 1.00 0.00 O ATOM 224 CB ASN A 15 -6.752 7.609 10.575 1.00 0.00 C ATOM 225 CG ASN A 15 -7.256 6.162 10.561 1.00 0.00 C ATOM 226 OD1 ASN A 15 -7.266 5.502 11.581 1.00 0.00 O ATOM 227 ND2 ASN A 15 -7.676 5.633 9.441 1.00 0.00 N ATOM 0 H ASN A 15 -5.767 5.658 9.345 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.977 8.520 8.784 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.362 7.859 11.561 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -7.576 8.294 10.375 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -8.010 4.670 9.426 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.669 6.184 8.583 1.00 0.00 H new ATOM 234 N LEU A 16 -3.423 7.390 10.387 1.00 0.00 N ATOM 235 CA LEU A 16 -2.146 7.816 11.028 1.00 0.00 C ATOM 236 C LEU A 16 -1.397 8.761 10.087 1.00 0.00 C ATOM 237 O LEU A 16 -0.804 9.733 10.510 1.00 0.00 O ATOM 238 CB LEU A 16 -1.277 6.590 11.314 1.00 0.00 C ATOM 239 CG LEU A 16 -0.009 7.025 12.053 1.00 0.00 C ATOM 240 CD1 LEU A 16 -0.384 7.600 13.420 1.00 0.00 C ATOM 241 CD2 LEU A 16 0.908 5.815 12.244 1.00 0.00 C ATOM 0 H LEU A 16 -3.478 6.402 10.138 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.366 8.328 11.965 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.832 5.870 11.915 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.014 6.091 10.381 1.00 0.00 H new ATOM 0 HG LEU A 16 0.508 7.787 11.469 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.520 7.909 13.945 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.038 8.461 13.285 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.901 6.840 14.005 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.812 6.123 12.770 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.390 5.054 12.828 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.177 5.405 11.271 1.00 0.00 H new ATOM 253 N VAL A 17 -1.418 8.484 8.810 1.00 0.00 N ATOM 254 CA VAL A 17 -0.706 9.369 7.846 1.00 0.00 C ATOM 255 C VAL A 17 -1.452 10.698 7.726 1.00 0.00 C ATOM 256 O VAL A 17 -1.010 11.612 7.057 1.00 0.00 O ATOM 257 CB VAL A 17 -0.649 8.690 6.476 1.00 0.00 C ATOM 258 CG1 VAL A 17 0.297 7.490 6.540 1.00 0.00 C ATOM 259 CG2 VAL A 17 -2.050 8.214 6.086 1.00 0.00 C ATOM 0 H VAL A 17 -1.897 7.685 8.395 1.00 0.00 H new ATOM 0 HA VAL A 17 0.307 9.553 8.203 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.285 9.400 5.733 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.338 7.006 5.564 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.295 7.828 6.819 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.066 6.779 7.282 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.011 7.730 5.110 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.413 7.504 6.829 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.725 9.069 6.041 1.00 0.00 H new ATOM 269 N ARG A 18 -2.581 10.815 8.370 1.00 0.00 N ATOM 270 CA ARG A 18 -3.357 12.086 8.293 1.00 0.00 C ATOM 271 C ARG A 18 -2.606 13.186 9.044 1.00 0.00 C ATOM 272 O ARG A 18 -3.094 14.287 9.204 1.00 0.00 O ATOM 273 CB ARG A 18 -4.734 11.881 8.929 1.00 0.00 C ATOM 274 CG ARG A 18 -5.661 13.032 8.530 1.00 0.00 C ATOM 275 CD ARG A 18 -7.100 12.683 8.911 1.00 0.00 C ATOM 276 NE ARG A 18 -7.544 11.490 8.136 1.00 0.00 N ATOM 277 CZ ARG A 18 -8.609 10.832 8.503 1.00 0.00 C ATOM 278 NH1 ARG A 18 -9.284 11.218 9.551 1.00 0.00 N ATOM 279 NH2 ARG A 18 -8.999 9.789 7.823 1.00 0.00 N ATOM 0 H ARG A 18 -3.000 10.085 8.946 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.479 12.377 7.250 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.158 10.931 8.605 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.641 11.835 10.014 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.354 13.951 9.030 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.591 13.214 7.458 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.165 12.480 9.980 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.757 13.528 8.706 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.015 11.188 7.318 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.979 12.033 10.082 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.117 10.704 9.839 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.471 9.488 7.004 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.832 9.275 8.111 1.00 0.00 H new ATOM 335 N ALA A 23 4.742 9.340 10.332 1.00 0.00 N ATOM 336 CA ALA A 23 4.676 7.857 10.464 1.00 0.00 C ATOM 337 C ALA A 23 5.083 7.202 9.142 1.00 0.00 C ATOM 338 O ALA A 23 6.118 7.503 8.581 1.00 0.00 O ATOM 339 CB ALA A 23 3.247 7.441 10.819 1.00 0.00 C ATOM 0 HA ALA A 23 5.358 7.534 11.251 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.197 6.356 10.916 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.957 7.903 11.763 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.567 7.767 10.032 1.00 0.00 H new ATOM 345 N VAL A 24 4.277 6.303 8.646 1.00 0.00 N ATOM 346 CA VAL A 24 4.613 5.619 7.366 1.00 0.00 C ATOM 347 C VAL A 24 3.728 6.168 6.244 1.00 0.00 C ATOM 348 O VAL A 24 2.518 6.068 6.295 1.00 0.00 O ATOM 349 CB VAL A 24 4.365 4.116 7.520 1.00 0.00 C ATOM 350 CG1 VAL A 24 3.253 3.882 8.544 1.00 0.00 C ATOM 351 CG2 VAL A 24 3.942 3.525 6.174 1.00 0.00 C ATOM 0 H VAL A 24 3.398 6.012 9.074 1.00 0.00 H new ATOM 0 HA VAL A 24 5.660 5.797 7.120 1.00 0.00 H new ATOM 0 HB VAL A 24 5.282 3.634 7.859 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.078 2.812 8.652 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.550 4.300 9.506 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.338 4.367 8.204 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.766 2.455 6.286 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.027 4.010 5.835 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.732 3.688 5.441 1.00 0.00 H new ATOM 361 N ILE A 25 4.314 6.752 5.231 1.00 0.00 N ATOM 362 CA ILE A 25 3.483 7.303 4.123 1.00 0.00 C ATOM 363 C ILE A 25 2.460 6.241 3.691 1.00 0.00 C ATOM 364 O ILE A 25 1.311 6.545 3.437 1.00 0.00 O ATOM 365 CB ILE A 25 4.385 7.730 2.953 1.00 0.00 C ATOM 366 CG1 ILE A 25 3.514 8.239 1.800 1.00 0.00 C ATOM 367 CG2 ILE A 25 5.258 6.559 2.483 1.00 0.00 C ATOM 368 CD1 ILE A 25 4.404 8.699 0.640 1.00 0.00 C ATOM 0 H ILE A 25 5.322 6.870 5.124 1.00 0.00 H new ATOM 0 HA ILE A 25 2.943 8.188 4.460 1.00 0.00 H new ATOM 0 HB ILE A 25 5.046 8.529 3.289 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.842 7.449 1.464 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.890 9.065 2.141 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.888 6.884 1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.887 6.221 3.306 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.620 5.739 2.153 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.779 9.060 -0.177 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.058 9.503 0.979 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.009 7.862 0.292 1.00 0.00 H new ATOM 380 N TRP A 26 2.853 4.992 3.636 1.00 0.00 N ATOM 381 CA TRP A 26 1.893 3.920 3.260 1.00 0.00 C ATOM 382 C TRP A 26 2.358 2.572 3.811 1.00 0.00 C ATOM 383 O TRP A 26 3.539 2.330 3.965 1.00 0.00 O ATOM 384 CB TRP A 26 1.763 3.830 1.741 1.00 0.00 C ATOM 385 CG TRP A 26 3.110 3.656 1.098 1.00 0.00 C ATOM 386 CD1 TRP A 26 3.790 4.621 0.429 1.00 0.00 C ATOM 387 CD2 TRP A 26 3.939 2.459 1.029 1.00 0.00 C ATOM 388 NE1 TRP A 26 4.986 4.097 -0.029 1.00 0.00 N ATOM 389 CE2 TRP A 26 5.121 2.766 0.311 1.00 0.00 C ATOM 390 CE3 TRP A 26 3.783 1.151 1.518 1.00 0.00 C ATOM 391 CZ2 TRP A 26 6.108 1.806 0.088 1.00 0.00 C ATOM 392 CZ3 TRP A 26 4.775 0.186 1.296 1.00 0.00 C ATOM 393 CH2 TRP A 26 5.932 0.512 0.582 1.00 0.00 C ATOM 0 H TRP A 26 3.801 4.673 3.837 1.00 0.00 H new ATOM 0 HA TRP A 26 0.922 4.167 3.688 1.00 0.00 H new ATOM 0 HB2 TRP A 26 1.118 2.992 1.476 1.00 0.00 H new ATOM 0 HB3 TRP A 26 1.287 4.733 1.358 1.00 0.00 H new ATOM 0 HD1 TRP A 26 3.452 5.636 0.278 1.00 0.00 H new ATOM 0 HE1 TRP A 26 5.682 4.628 -0.553 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.892 0.887 2.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.001 2.062 -0.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 4.645 -0.815 1.679 1.00 0.00 H new ATOM 0 HH2 TRP A 26 6.690 -0.238 0.412 1.00 0.00 H new ATOM 404 N VAL A 27 1.437 1.688 4.098 1.00 0.00 N ATOM 405 CA VAL A 27 1.821 0.346 4.631 1.00 0.00 C ATOM 406 C VAL A 27 1.406 -0.739 3.631 1.00 0.00 C ATOM 407 O VAL A 27 0.468 -0.573 2.878 1.00 0.00 O ATOM 408 CB VAL A 27 1.113 0.104 5.966 1.00 0.00 C ATOM 409 CG1 VAL A 27 1.637 1.091 7.010 1.00 0.00 C ATOM 410 CG2 VAL A 27 -0.394 0.305 5.787 1.00 0.00 C ATOM 0 H VAL A 27 0.434 1.838 3.986 1.00 0.00 H new ATOM 0 HA VAL A 27 2.900 0.311 4.780 1.00 0.00 H new ATOM 0 HB VAL A 27 1.308 -0.915 6.300 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.132 0.918 7.960 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.710 0.949 7.138 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.443 2.110 6.677 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.899 0.133 6.737 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.588 1.324 5.452 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.769 -0.399 5.044 1.00 0.00 H new ATOM 420 N THR A 28 2.100 -1.847 3.622 1.00 0.00 N ATOM 421 CA THR A 28 1.747 -2.945 2.671 1.00 0.00 C ATOM 422 C THR A 28 1.631 -4.271 3.422 1.00 0.00 C ATOM 423 O THR A 28 2.469 -4.611 4.234 1.00 0.00 O ATOM 424 CB THR A 28 2.840 -3.077 1.607 1.00 0.00 C ATOM 425 OG1 THR A 28 4.114 -2.964 2.222 1.00 0.00 O ATOM 426 CG2 THR A 28 2.673 -1.979 0.558 1.00 0.00 C ATOM 0 H THR A 28 2.895 -2.040 4.231 1.00 0.00 H new ATOM 0 HA THR A 28 0.794 -2.706 2.199 1.00 0.00 H new ATOM 0 HB THR A 28 2.758 -4.049 1.121 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.781 -2.715 1.549 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.453 -2.076 -0.198 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.695 -2.073 0.085 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.752 -1.003 1.037 1.00 0.00 H new ATOM 434 N PHE A 29 0.609 -5.035 3.135 1.00 0.00 N ATOM 435 CA PHE A 29 0.447 -6.354 3.806 1.00 0.00 C ATOM 436 C PHE A 29 0.347 -7.422 2.728 1.00 0.00 C ATOM 437 O PHE A 29 -0.540 -7.399 1.897 1.00 0.00 O ATOM 438 CB PHE A 29 -0.818 -6.382 4.671 1.00 0.00 C ATOM 439 CG PHE A 29 -1.800 -5.339 4.204 1.00 0.00 C ATOM 440 CD1 PHE A 29 -1.760 -4.048 4.744 1.00 0.00 C ATOM 441 CD2 PHE A 29 -2.765 -5.668 3.246 1.00 0.00 C ATOM 442 CE1 PHE A 29 -2.686 -3.086 4.325 1.00 0.00 C ATOM 443 CE2 PHE A 29 -3.688 -4.705 2.824 1.00 0.00 C ATOM 444 CZ PHE A 29 -3.649 -3.416 3.365 1.00 0.00 C ATOM 0 H PHE A 29 -0.121 -4.799 2.463 1.00 0.00 H new ATOM 0 HA PHE A 29 1.302 -6.535 4.457 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.277 -7.370 4.623 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.557 -6.203 5.714 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.015 -3.795 5.484 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.797 -6.665 2.832 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.657 -2.090 4.742 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.430 -4.957 2.081 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.364 -2.674 3.041 1.00 0.00 H new ATOM 454 N ARG A 30 1.258 -8.347 2.724 1.00 0.00 N ATOM 455 CA ARG A 30 1.224 -9.405 1.684 1.00 0.00 C ATOM 456 C ARG A 30 0.616 -10.676 2.266 1.00 0.00 C ATOM 457 O ARG A 30 0.749 -10.968 3.437 1.00 0.00 O ATOM 458 CB ARG A 30 2.644 -9.680 1.202 1.00 0.00 C ATOM 459 CG ARG A 30 3.517 -10.079 2.392 1.00 0.00 C ATOM 460 CD ARG A 30 4.943 -10.354 1.910 1.00 0.00 C ATOM 461 NE ARG A 30 4.913 -11.374 0.825 1.00 0.00 N ATOM 462 CZ ARG A 30 5.960 -11.549 0.065 1.00 0.00 C ATOM 463 NH1 ARG A 30 7.032 -10.830 0.257 1.00 0.00 N ATOM 464 NH2 ARG A 30 5.934 -12.441 -0.886 1.00 0.00 N ATOM 0 H ARG A 30 2.024 -8.417 3.394 1.00 0.00 H new ATOM 0 HA ARG A 30 0.614 -9.075 0.843 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.639 -10.476 0.458 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.053 -8.793 0.718 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.521 -9.283 3.137 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.108 -10.966 2.875 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.399 -9.433 1.546 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.557 -10.707 2.739 1.00 0.00 H new ATOM 0 HE ARG A 30 4.075 -11.936 0.676 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.051 -10.132 1.000 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.850 -10.966 -0.336 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.096 -13.002 -1.036 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.752 -12.578 -1.480 1.00 0.00 H new ATOM 478 N TYR A 31 -0.065 -11.427 1.450 1.00 0.00 N ATOM 479 CA TYR A 31 -0.704 -12.676 1.935 1.00 0.00 C ATOM 480 C TYR A 31 0.303 -13.510 2.718 1.00 0.00 C ATOM 481 O TYR A 31 1.095 -14.237 2.152 1.00 0.00 O ATOM 482 CB TYR A 31 -1.199 -13.477 0.735 1.00 0.00 C ATOM 483 CG TYR A 31 -1.811 -12.530 -0.267 1.00 0.00 C ATOM 484 CD1 TYR A 31 -2.980 -11.834 0.057 1.00 0.00 C ATOM 485 CD2 TYR A 31 -1.205 -12.338 -1.514 1.00 0.00 C ATOM 486 CE1 TYR A 31 -3.545 -10.947 -0.863 1.00 0.00 C ATOM 487 CE2 TYR A 31 -1.770 -11.448 -2.436 1.00 0.00 C ATOM 488 CZ TYR A 31 -2.940 -10.753 -2.111 1.00 0.00 C ATOM 489 OH TYR A 31 -3.496 -9.874 -3.017 1.00 0.00 O ATOM 0 H TYR A 31 -0.207 -11.226 0.460 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.539 -12.424 2.588 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.373 -14.024 0.281 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.934 -14.216 1.053 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.447 -11.982 1.020 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.303 -12.876 -1.765 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.448 -10.411 -0.612 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.303 -11.298 -3.398 1.00 0.00 H new ATOM 0 HH TYR A 31 -3.547 -8.981 -2.617 1.00 0.00 H new ATOM 499 N ASP A 32 0.267 -13.434 4.017 1.00 0.00 N ATOM 500 CA ASP A 32 1.209 -14.250 4.820 1.00 0.00 C ATOM 501 C ASP A 32 0.491 -15.530 5.233 1.00 0.00 C ATOM 502 O ASP A 32 -0.313 -15.539 6.143 1.00 0.00 O ATOM 503 CB ASP A 32 1.633 -13.471 6.068 1.00 0.00 C ATOM 504 CG ASP A 32 3.085 -13.015 5.916 1.00 0.00 C ATOM 505 OD1 ASP A 32 3.483 -12.731 4.797 1.00 0.00 O ATOM 506 OD2 ASP A 32 3.775 -12.955 6.920 1.00 0.00 O ATOM 0 H ASP A 32 -0.371 -12.845 4.553 1.00 0.00 H new ATOM 0 HA ASP A 32 2.099 -14.486 4.236 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.983 -12.608 6.209 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.528 -14.098 6.954 1.00 0.00 H new ATOM 511 N GLY A 33 0.764 -16.613 4.561 1.00 0.00 N ATOM 512 CA GLY A 33 0.084 -17.890 4.908 1.00 0.00 C ATOM 513 C GLY A 33 -1.420 -17.736 4.669 1.00 0.00 C ATOM 514 O GLY A 33 -1.856 -17.461 3.569 1.00 0.00 O ATOM 0 H GLY A 33 1.427 -16.669 3.788 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.480 -18.704 4.301 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.275 -18.147 5.950 1.00 0.00 H new ATOM 518 N ALA A 34 -2.214 -17.922 5.688 1.00 0.00 N ATOM 519 CA ALA A 34 -3.691 -17.800 5.515 1.00 0.00 C ATOM 520 C ALA A 34 -4.196 -16.521 6.191 1.00 0.00 C ATOM 521 O ALA A 34 -5.358 -16.402 6.525 1.00 0.00 O ATOM 522 CB ALA A 34 -4.376 -19.011 6.152 1.00 0.00 C ATOM 0 H ALA A 34 -1.905 -18.153 6.632 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.923 -17.758 4.451 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.456 -18.926 6.028 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.026 -19.923 5.668 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.135 -19.048 7.214 1.00 0.00 H new ATOM 528 N THR A 35 -3.331 -15.563 6.392 1.00 0.00 N ATOM 529 CA THR A 35 -3.766 -14.294 7.045 1.00 0.00 C ATOM 530 C THR A 35 -3.044 -13.102 6.409 1.00 0.00 C ATOM 531 O THR A 35 -1.841 -13.113 6.235 1.00 0.00 O ATOM 532 CB THR A 35 -3.435 -14.351 8.538 1.00 0.00 C ATOM 533 OG1 THR A 35 -3.938 -15.562 9.087 1.00 0.00 O ATOM 534 CG2 THR A 35 -4.076 -13.160 9.252 1.00 0.00 C ATOM 0 H THR A 35 -2.345 -15.604 6.133 1.00 0.00 H new ATOM 0 HA THR A 35 -4.841 -14.174 6.910 1.00 0.00 H new ATOM 0 HB THR A 35 -2.354 -14.312 8.672 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.726 -15.601 10.043 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.839 -13.203 10.315 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.689 -12.232 8.831 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.157 -13.195 9.120 1.00 0.00 H new ATOM 542 N ILE A 36 -3.771 -12.070 6.069 1.00 0.00 N ATOM 543 CA ILE A 36 -3.132 -10.871 5.454 1.00 0.00 C ATOM 544 C ILE A 36 -2.483 -10.032 6.558 1.00 0.00 C ATOM 545 O ILE A 36 -3.156 -9.507 7.424 1.00 0.00 O ATOM 546 CB ILE A 36 -4.199 -10.037 4.737 1.00 0.00 C ATOM 547 CG1 ILE A 36 -4.753 -10.829 3.550 1.00 0.00 C ATOM 548 CG2 ILE A 36 -3.587 -8.727 4.236 1.00 0.00 C ATOM 549 CD1 ILE A 36 -5.967 -11.646 3.996 1.00 0.00 C ATOM 0 H ILE A 36 -4.782 -12.006 6.191 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.375 -11.183 4.735 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.006 -9.811 5.434 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.036 -10.149 2.747 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.984 -11.491 3.151 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.351 -8.139 3.727 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.197 -8.161 5.082 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.776 -8.946 3.541 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.358 -12.208 3.148 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.670 -12.338 4.784 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.738 -10.975 4.374 1.00 0.00 H new ATOM 561 N VAL A 37 -1.184 -9.914 6.542 1.00 0.00 N ATOM 562 CA VAL A 37 -0.495 -9.122 7.600 1.00 0.00 C ATOM 563 C VAL A 37 0.572 -8.223 6.964 1.00 0.00 C ATOM 564 O VAL A 37 1.128 -8.551 5.934 1.00 0.00 O ATOM 565 CB VAL A 37 0.178 -10.085 8.580 1.00 0.00 C ATOM 566 CG1 VAL A 37 -0.632 -11.381 8.657 1.00 0.00 C ATOM 567 CG2 VAL A 37 1.594 -10.401 8.092 1.00 0.00 C ATOM 0 H VAL A 37 -0.570 -10.331 5.843 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.223 -8.501 8.123 1.00 0.00 H new ATOM 0 HB VAL A 37 0.226 -9.625 9.567 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.154 -12.068 9.355 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.642 -11.159 9.001 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.678 -11.840 7.670 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.075 -11.087 8.789 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.544 -10.862 7.106 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.173 -9.479 8.033 1.00 0.00 H new ATOM 577 N PRO A 38 0.871 -7.106 7.580 1.00 0.00 N ATOM 578 CA PRO A 38 1.899 -6.163 7.074 1.00 0.00 C ATOM 579 C PRO A 38 3.059 -6.898 6.398 1.00 0.00 C ATOM 580 O PRO A 38 3.385 -8.015 6.750 1.00 0.00 O ATOM 581 CB PRO A 38 2.367 -5.457 8.343 1.00 0.00 C ATOM 582 CG PRO A 38 1.179 -5.452 9.254 1.00 0.00 C ATOM 583 CD PRO A 38 0.266 -6.610 8.826 1.00 0.00 C ATOM 0 HA PRO A 38 1.512 -5.484 6.314 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.208 -5.981 8.797 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.702 -4.442 8.128 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.491 -5.573 10.292 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.649 -4.502 9.189 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.227 -7.389 9.587 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.757 -6.271 8.664 1.00 0.00 H new ATOM 591 N GLY A 39 3.684 -6.284 5.433 1.00 0.00 N ATOM 592 CA GLY A 39 4.821 -6.951 4.741 1.00 0.00 C ATOM 593 C GLY A 39 5.951 -5.950 4.551 1.00 0.00 C ATOM 594 O GLY A 39 7.107 -6.241 4.781 1.00 0.00 O ATOM 0 H GLY A 39 3.457 -5.349 5.094 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.169 -7.803 5.326 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.497 -7.339 3.775 1.00 0.00 H new ATOM 598 N ASP A 40 5.617 -4.771 4.134 1.00 0.00 N ATOM 599 CA ASP A 40 6.647 -3.726 3.921 1.00 0.00 C ATOM 600 C ASP A 40 6.079 -2.370 4.337 1.00 0.00 C ATOM 601 O ASP A 40 4.953 -2.265 4.783 1.00 0.00 O ATOM 602 CB ASP A 40 7.026 -3.680 2.447 1.00 0.00 C ATOM 603 CG ASP A 40 8.370 -4.383 2.241 1.00 0.00 C ATOM 604 OD1 ASP A 40 9.310 -4.035 2.935 1.00 0.00 O ATOM 605 OD2 ASP A 40 8.434 -5.257 1.392 1.00 0.00 O ATOM 0 H ASP A 40 4.661 -4.480 3.928 1.00 0.00 H new ATOM 0 HA ASP A 40 7.530 -3.956 4.517 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.255 -4.164 1.847 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.090 -2.646 2.109 1.00 0.00 H new ATOM 610 N GLN A 41 6.850 -1.334 4.192 1.00 0.00 N ATOM 611 CA GLN A 41 6.361 0.022 4.577 1.00 0.00 C ATOM 612 C GLN A 41 6.926 1.066 3.619 1.00 0.00 C ATOM 613 O GLN A 41 7.468 0.745 2.582 1.00 0.00 O ATOM 614 CB GLN A 41 6.821 0.353 5.997 1.00 0.00 C ATOM 615 CG GLN A 41 8.324 0.671 5.999 1.00 0.00 C ATOM 616 CD GLN A 41 9.043 -0.178 4.945 1.00 0.00 C ATOM 617 OE1 GLN A 41 9.265 -1.356 5.146 1.00 0.00 O ATOM 618 NE2 GLN A 41 9.420 0.375 3.821 1.00 0.00 N ATOM 0 H GLN A 41 7.800 -1.364 3.823 1.00 0.00 H new ATOM 0 HA GLN A 41 5.272 0.031 4.530 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.260 1.205 6.381 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.617 -0.488 6.660 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.480 1.730 5.793 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.744 0.473 6.985 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.234 1.363 3.651 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.900 -0.182 3.114 1.00 0.00 H new ATOM 627 N GLY A 42 6.810 2.314 3.966 1.00 0.00 N ATOM 628 CA GLY A 42 7.347 3.382 3.082 1.00 0.00 C ATOM 629 C GLY A 42 7.386 4.705 3.841 1.00 0.00 C ATOM 630 O GLY A 42 6.442 5.090 4.502 1.00 0.00 O ATOM 0 H GLY A 42 6.366 2.642 4.824 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.348 3.117 2.742 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.724 3.480 2.193 1.00 0.00 H new ATOM 634 N ALA A 43 8.475 5.411 3.734 1.00 0.00 N ATOM 635 CA ALA A 43 8.597 6.726 4.420 1.00 0.00 C ATOM 636 C ALA A 43 8.484 7.809 3.354 1.00 0.00 C ATOM 637 O ALA A 43 8.440 8.990 3.636 1.00 0.00 O ATOM 638 CB ALA A 43 9.954 6.824 5.120 1.00 0.00 C ATOM 0 H ALA A 43 9.294 5.130 3.195 1.00 0.00 H new ATOM 0 HA ALA A 43 7.816 6.842 5.171 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.037 7.789 5.620 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.042 6.025 5.856 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.751 6.728 4.383 1.00 0.00 H new ATOM 644 N ASP A 44 8.427 7.388 2.123 1.00 0.00 N ATOM 645 CA ASP A 44 8.305 8.342 0.992 1.00 0.00 C ATOM 646 C ASP A 44 7.726 7.589 -0.206 1.00 0.00 C ATOM 647 O ASP A 44 7.513 6.394 -0.153 1.00 0.00 O ATOM 648 CB ASP A 44 9.685 8.897 0.635 1.00 0.00 C ATOM 649 CG ASP A 44 10.589 7.757 0.166 1.00 0.00 C ATOM 650 OD1 ASP A 44 10.214 7.077 -0.775 1.00 0.00 O ATOM 651 OD2 ASP A 44 11.643 7.581 0.758 1.00 0.00 O ATOM 0 H ASP A 44 8.461 6.406 1.850 1.00 0.00 H new ATOM 0 HA ASP A 44 7.654 9.172 1.266 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.594 9.649 -0.149 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.125 9.391 1.501 1.00 0.00 H new ATOM 656 N TYR A 45 7.467 8.268 -1.283 1.00 0.00 N ATOM 657 CA TYR A 45 6.902 7.580 -2.476 1.00 0.00 C ATOM 658 C TYR A 45 7.995 6.745 -3.152 1.00 0.00 C ATOM 659 O TYR A 45 7.788 5.611 -3.531 1.00 0.00 O ATOM 660 CB TYR A 45 6.388 8.633 -3.458 1.00 0.00 C ATOM 661 CG TYR A 45 5.139 8.137 -4.146 1.00 0.00 C ATOM 662 CD1 TYR A 45 4.005 7.805 -3.395 1.00 0.00 C ATOM 663 CD2 TYR A 45 5.116 8.015 -5.539 1.00 0.00 C ATOM 664 CE1 TYR A 45 2.849 7.350 -4.039 1.00 0.00 C ATOM 665 CE2 TYR A 45 3.960 7.559 -6.183 1.00 0.00 C ATOM 666 CZ TYR A 45 2.826 7.227 -5.433 1.00 0.00 C ATOM 667 OH TYR A 45 1.686 6.778 -6.068 1.00 0.00 O ATOM 0 H TYR A 45 7.621 9.270 -1.391 1.00 0.00 H new ATOM 0 HA TYR A 45 6.085 6.926 -2.172 1.00 0.00 H new ATOM 0 HB2 TYR A 45 6.176 9.562 -2.929 1.00 0.00 H new ATOM 0 HB3 TYR A 45 7.156 8.856 -4.199 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.022 7.900 -2.319 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.991 8.273 -6.118 1.00 0.00 H new ATOM 0 HE1 TYR A 45 1.974 7.094 -3.460 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.943 7.463 -7.259 1.00 0.00 H new ATOM 0 HH TYR A 45 0.901 6.996 -5.524 1.00 0.00 H new ATOM 677 N GLN A 46 9.157 7.306 -3.306 1.00 0.00 N ATOM 678 CA GLN A 46 10.271 6.570 -3.965 1.00 0.00 C ATOM 679 C GLN A 46 10.314 5.119 -3.472 1.00 0.00 C ATOM 680 O GLN A 46 10.589 4.201 -4.227 1.00 0.00 O ATOM 681 CB GLN A 46 11.589 7.265 -3.631 1.00 0.00 C ATOM 682 CG GLN A 46 11.481 8.753 -3.978 1.00 0.00 C ATOM 683 CD GLN A 46 11.066 8.909 -5.444 1.00 0.00 C ATOM 684 OE1 GLN A 46 11.904 8.974 -6.320 1.00 0.00 O ATOM 685 NE2 GLN A 46 9.797 8.974 -5.749 1.00 0.00 N ATOM 0 H GLN A 46 9.387 8.252 -3.001 1.00 0.00 H new ATOM 0 HA GLN A 46 10.114 6.567 -5.044 1.00 0.00 H new ATOM 0 HB2 GLN A 46 11.819 7.143 -2.573 1.00 0.00 H new ATOM 0 HB3 GLN A 46 12.406 6.808 -4.190 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.750 9.236 -3.329 1.00 0.00 H new ATOM 0 HG3 GLN A 46 12.437 9.248 -3.805 1.00 0.00 H new ATOM 0 HE21 GLN A 46 9.092 8.919 -5.014 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.511 9.079 -6.722 1.00 0.00 H new ATOM 694 N HIS A 47 10.051 4.900 -2.217 1.00 0.00 N ATOM 695 CA HIS A 47 10.088 3.509 -1.692 1.00 0.00 C ATOM 696 C HIS A 47 9.051 2.650 -2.425 1.00 0.00 C ATOM 697 O HIS A 47 9.333 1.536 -2.812 1.00 0.00 O ATOM 698 CB HIS A 47 9.793 3.517 -0.189 1.00 0.00 C ATOM 699 CG HIS A 47 10.495 2.360 0.470 1.00 0.00 C ATOM 700 ND1 HIS A 47 10.670 2.289 1.846 1.00 0.00 N ATOM 701 CD2 HIS A 47 11.079 1.225 -0.041 1.00 0.00 C ATOM 702 CE1 HIS A 47 11.334 1.149 2.113 1.00 0.00 C ATOM 703 NE2 HIS A 47 11.605 0.467 0.999 1.00 0.00 N ATOM 0 H HIS A 47 9.813 5.619 -1.534 1.00 0.00 H new ATOM 0 HA HIS A 47 11.079 3.087 -1.859 1.00 0.00 H new ATOM 0 HB2 HIS A 47 10.126 4.456 0.252 1.00 0.00 H new ATOM 0 HB3 HIS A 47 8.719 3.448 -0.019 1.00 0.00 H new ATOM 0 HD2 HIS A 47 11.122 0.963 -1.088 1.00 0.00 H new ATOM 0 HE1 HIS A 47 11.613 0.827 3.105 1.00 0.00 H new ATOM 0 HE2 HIS A 47 12.096 -0.424 0.926 1.00 0.00 H new ATOM 712 N PHE A 48 7.861 3.157 -2.630 1.00 0.00 N ATOM 713 CA PHE A 48 6.826 2.353 -3.346 1.00 0.00 C ATOM 714 C PHE A 48 7.442 1.793 -4.633 1.00 0.00 C ATOM 715 O PHE A 48 7.110 0.712 -5.078 1.00 0.00 O ATOM 716 CB PHE A 48 5.605 3.245 -3.668 1.00 0.00 C ATOM 717 CG PHE A 48 5.557 3.600 -5.142 1.00 0.00 C ATOM 718 CD1 PHE A 48 5.297 2.613 -6.101 1.00 0.00 C ATOM 719 CD2 PHE A 48 5.772 4.924 -5.548 1.00 0.00 C ATOM 720 CE1 PHE A 48 5.263 2.947 -7.460 1.00 0.00 C ATOM 721 CE2 PHE A 48 5.733 5.257 -6.905 1.00 0.00 C ATOM 722 CZ PHE A 48 5.483 4.270 -7.861 1.00 0.00 C ATOM 0 H PHE A 48 7.564 4.087 -2.334 1.00 0.00 H new ATOM 0 HA PHE A 48 6.490 1.527 -2.720 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.688 2.727 -3.386 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.651 4.157 -3.073 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.123 1.593 -5.792 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.968 5.689 -4.811 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.067 2.184 -8.199 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.896 6.279 -7.215 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.459 4.527 -8.910 1.00 0.00 H new ATOM 732 N ILE A 49 8.327 2.536 -5.240 1.00 0.00 N ATOM 733 CA ILE A 49 8.963 2.080 -6.513 1.00 0.00 C ATOM 734 C ILE A 49 9.806 0.822 -6.291 1.00 0.00 C ATOM 735 O ILE A 49 9.750 -0.109 -7.070 1.00 0.00 O ATOM 736 CB ILE A 49 9.842 3.206 -7.056 1.00 0.00 C ATOM 737 CG1 ILE A 49 8.983 4.463 -7.170 1.00 0.00 C ATOM 738 CG2 ILE A 49 10.383 2.827 -8.438 1.00 0.00 C ATOM 739 CD1 ILE A 49 9.465 5.320 -8.341 1.00 0.00 C ATOM 0 H ILE A 49 8.640 3.448 -4.907 1.00 0.00 H new ATOM 0 HA ILE A 49 8.180 1.834 -7.230 1.00 0.00 H new ATOM 0 HB ILE A 49 10.686 3.379 -6.388 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.938 4.188 -7.316 1.00 0.00 H new ATOM 0 HG13 ILE A 49 9.036 5.035 -6.244 1.00 0.00 H new ATOM 0 HG21 ILE A 49 11.008 3.635 -8.818 1.00 0.00 H new ATOM 0 HG22 ILE A 49 10.976 1.916 -8.359 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.550 2.661 -9.122 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.847 6.215 -8.416 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.503 5.609 -8.177 1.00 0.00 H new ATOM 0 HD13 ILE A 49 9.389 4.748 -9.266 1.00 0.00 H new ATOM 751 N GLN A 50 10.585 0.769 -5.246 1.00 0.00 N ATOM 752 CA GLN A 50 11.410 -0.452 -5.015 1.00 0.00 C ATOM 753 C GLN A 50 10.555 -1.460 -4.261 1.00 0.00 C ATOM 754 O GLN A 50 10.888 -2.620 -4.127 1.00 0.00 O ATOM 755 CB GLN A 50 12.642 -0.094 -4.183 1.00 0.00 C ATOM 756 CG GLN A 50 13.363 -1.375 -3.758 1.00 0.00 C ATOM 757 CD GLN A 50 12.915 -1.770 -2.350 1.00 0.00 C ATOM 758 OE1 GLN A 50 13.174 -1.064 -1.397 1.00 0.00 O ATOM 759 NE2 GLN A 50 12.248 -2.879 -2.178 1.00 0.00 N ATOM 0 H GLN A 50 10.686 1.507 -4.550 1.00 0.00 H new ATOM 0 HA GLN A 50 11.742 -0.871 -5.965 1.00 0.00 H new ATOM 0 HB2 GLN A 50 13.314 0.538 -4.763 1.00 0.00 H new ATOM 0 HB3 GLN A 50 12.346 0.478 -3.304 1.00 0.00 H new ATOM 0 HG2 GLN A 50 13.142 -2.179 -4.460 1.00 0.00 H new ATOM 0 HG3 GLN A 50 14.442 -1.221 -3.778 1.00 0.00 H new ATOM 0 HE21 GLN A 50 12.030 -3.472 -2.978 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.945 -3.152 -1.243 1.00 0.00 H new ATOM 768 N GLN A 51 9.462 -0.991 -3.748 1.00 0.00 N ATOM 769 CA GLN A 51 8.551 -1.856 -2.964 1.00 0.00 C ATOM 770 C GLN A 51 7.418 -2.381 -3.845 1.00 0.00 C ATOM 771 O GLN A 51 6.625 -3.198 -3.423 1.00 0.00 O ATOM 772 CB GLN A 51 7.977 -1.005 -1.845 1.00 0.00 C ATOM 773 CG GLN A 51 8.978 -0.947 -0.708 1.00 0.00 C ATOM 774 CD GLN A 51 8.701 -2.110 0.237 1.00 0.00 C ATOM 775 OE1 GLN A 51 9.202 -2.149 1.342 1.00 0.00 O ATOM 776 NE2 GLN A 51 7.910 -3.070 -0.165 1.00 0.00 N ATOM 0 H GLN A 51 9.154 -0.023 -3.841 1.00 0.00 H new ATOM 0 HA GLN A 51 9.092 -2.715 -2.568 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.761 -0.000 -2.209 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.035 -1.427 -1.496 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.995 -1.007 -1.095 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.894 0.001 -0.177 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.492 -3.031 -1.095 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.710 -3.858 0.451 1.00 0.00 H new ATOM 785 N CYS A 52 7.332 -1.915 -5.059 1.00 0.00 N ATOM 786 CA CYS A 52 6.240 -2.385 -5.963 1.00 0.00 C ATOM 787 C CYS A 52 6.830 -2.971 -7.250 1.00 0.00 C ATOM 788 O CYS A 52 6.473 -2.568 -8.339 1.00 0.00 O ATOM 789 CB CYS A 52 5.337 -1.203 -6.317 1.00 0.00 C ATOM 790 SG CYS A 52 6.204 -0.104 -7.465 1.00 0.00 S ATOM 0 H CYS A 52 7.968 -1.230 -5.466 1.00 0.00 H new ATOM 0 HA CYS A 52 5.664 -3.157 -5.453 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.412 -1.561 -6.768 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.061 -0.659 -5.414 1.00 0.00 H new ATOM 0 HG CYS A 52 6.100 1.124 -7.052 1.00 0.00 H new ATOM 796 N THR A 53 7.724 -3.919 -7.146 1.00 0.00 N ATOM 797 CA THR A 53 8.312 -4.513 -8.379 1.00 0.00 C ATOM 798 C THR A 53 7.294 -5.456 -9.025 1.00 0.00 C ATOM 799 O THR A 53 6.416 -5.980 -8.368 1.00 0.00 O ATOM 800 CB THR A 53 9.575 -5.298 -8.015 1.00 0.00 C ATOM 801 OG1 THR A 53 9.267 -6.243 -7.001 1.00 0.00 O ATOM 802 CG2 THR A 53 10.649 -4.333 -7.508 1.00 0.00 C ATOM 0 H THR A 53 8.069 -4.304 -6.267 1.00 0.00 H new ATOM 0 HA THR A 53 8.568 -3.718 -9.080 1.00 0.00 H new ATOM 0 HB THR A 53 9.946 -5.820 -8.897 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.074 -6.748 -6.768 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.548 -4.893 -7.249 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.885 -3.609 -8.288 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.281 -3.810 -6.626 1.00 0.00 H new ATOM 810 N ASP A 54 7.402 -5.673 -10.308 1.00 0.00 N ATOM 811 CA ASP A 54 6.440 -6.578 -10.998 1.00 0.00 C ATOM 812 C ASP A 54 6.716 -8.028 -10.598 1.00 0.00 C ATOM 813 O ASP A 54 6.219 -8.955 -11.206 1.00 0.00 O ATOM 814 CB ASP A 54 6.597 -6.430 -12.513 1.00 0.00 C ATOM 815 CG ASP A 54 8.081 -6.497 -12.881 1.00 0.00 C ATOM 816 OD1 ASP A 54 8.793 -7.261 -12.250 1.00 0.00 O ATOM 817 OD2 ASP A 54 8.479 -5.783 -13.786 1.00 0.00 O ATOM 0 H ASP A 54 8.116 -5.262 -10.909 1.00 0.00 H new ATOM 0 HA ASP A 54 5.424 -6.311 -10.708 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.048 -7.220 -13.025 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.172 -5.482 -12.843 1.00 0.00 H new ATOM 822 N ASP A 55 7.512 -8.234 -9.586 1.00 0.00 N ATOM 823 CA ASP A 55 7.824 -9.625 -9.159 1.00 0.00 C ATOM 824 C ASP A 55 6.929 -10.030 -7.984 1.00 0.00 C ATOM 825 O ASP A 55 7.022 -11.132 -7.480 1.00 0.00 O ATOM 826 CB ASP A 55 9.291 -9.708 -8.732 1.00 0.00 C ATOM 827 CG ASP A 55 9.542 -11.040 -8.025 1.00 0.00 C ATOM 828 OD1 ASP A 55 9.540 -12.057 -8.700 1.00 0.00 O ATOM 829 OD2 ASP A 55 9.733 -11.023 -6.820 1.00 0.00 O ATOM 0 H ASP A 55 7.959 -7.500 -9.037 1.00 0.00 H new ATOM 0 HA ASP A 55 7.643 -10.302 -9.994 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.940 -9.619 -9.603 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.535 -8.880 -8.067 1.00 0.00 H new ATOM 834 N VAL A 56 6.066 -9.157 -7.535 1.00 0.00 N ATOM 835 CA VAL A 56 5.185 -9.523 -6.388 1.00 0.00 C ATOM 836 C VAL A 56 3.832 -8.814 -6.499 1.00 0.00 C ATOM 837 O VAL A 56 3.611 -8.003 -7.374 1.00 0.00 O ATOM 838 CB VAL A 56 5.865 -9.121 -5.077 1.00 0.00 C ATOM 839 CG1 VAL A 56 5.356 -7.748 -4.626 1.00 0.00 C ATOM 840 CG2 VAL A 56 5.543 -10.162 -4.002 1.00 0.00 C ATOM 0 H VAL A 56 5.934 -8.217 -7.908 1.00 0.00 H new ATOM 0 HA VAL A 56 5.017 -10.600 -6.405 1.00 0.00 H new ATOM 0 HB VAL A 56 6.943 -9.070 -5.230 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.844 -7.468 -3.692 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.584 -7.006 -5.391 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.278 -7.792 -4.473 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.025 -9.880 -3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.464 -10.210 -3.854 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.910 -11.138 -4.319 1.00 0.00 H new ATOM 850 N ARG A 57 2.934 -9.107 -5.600 1.00 0.00 N ATOM 851 CA ARG A 57 1.601 -8.445 -5.635 1.00 0.00 C ATOM 852 C ARG A 57 1.162 -8.083 -4.217 1.00 0.00 C ATOM 853 O ARG A 57 1.266 -8.874 -3.301 1.00 0.00 O ATOM 854 CB ARG A 57 0.574 -9.378 -6.265 1.00 0.00 C ATOM 855 CG ARG A 57 0.760 -10.795 -5.728 1.00 0.00 C ATOM 856 CD ARG A 57 -0.267 -11.711 -6.388 1.00 0.00 C ATOM 857 NE ARG A 57 -0.177 -11.543 -7.867 1.00 0.00 N ATOM 858 CZ ARG A 57 -0.810 -12.362 -8.662 1.00 0.00 C ATOM 859 NH1 ARG A 57 -1.539 -13.323 -8.163 1.00 0.00 N ATOM 860 NH2 ARG A 57 -0.714 -12.221 -9.955 1.00 0.00 N ATOM 0 H ARG A 57 3.066 -9.777 -4.842 1.00 0.00 H new ATOM 0 HA ARG A 57 1.674 -7.536 -6.232 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.434 -9.026 -6.044 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.683 -9.374 -7.350 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.770 -11.148 -5.937 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.636 -10.807 -4.645 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.079 -12.749 -6.114 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.271 -11.466 -6.040 1.00 0.00 H new ATOM 0 HE ARG A 57 0.382 -10.785 -8.259 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.614 -13.434 -7.152 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.034 -13.963 -8.784 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.144 -11.470 -10.345 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.209 -12.861 -10.576 1.00 0.00 H new ATOM 874 N LEU A 58 0.664 -6.891 -4.032 1.00 0.00 N ATOM 875 CA LEU A 58 0.210 -6.471 -2.678 1.00 0.00 C ATOM 876 C LEU A 58 -0.578 -5.166 -2.795 1.00 0.00 C ATOM 877 O LEU A 58 -0.630 -4.557 -3.844 1.00 0.00 O ATOM 878 CB LEU A 58 1.429 -6.276 -1.763 1.00 0.00 C ATOM 879 CG LEU A 58 2.404 -5.246 -2.359 1.00 0.00 C ATOM 880 CD1 LEU A 58 1.814 -3.835 -2.278 1.00 0.00 C ATOM 881 CD2 LEU A 58 3.715 -5.285 -1.571 1.00 0.00 C ATOM 0 H LEU A 58 0.552 -6.189 -4.763 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.432 -7.240 -2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.100 -5.944 -0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.940 -7.229 -1.624 1.00 0.00 H new ATOM 0 HG LEU A 58 2.582 -5.494 -3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.519 -3.121 -2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.878 -3.799 -2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.624 -3.579 -1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.412 -4.557 -1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.519 -5.043 -0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.150 -6.282 -1.637 1.00 0.00 H new ATOM 893 N PHE A 59 -1.187 -4.724 -1.726 1.00 0.00 N ATOM 894 CA PHE A 59 -1.960 -3.451 -1.789 1.00 0.00 C ATOM 895 C PHE A 59 -1.175 -2.350 -1.085 1.00 0.00 C ATOM 896 O PHE A 59 -0.397 -2.609 -0.189 1.00 0.00 O ATOM 897 CB PHE A 59 -3.320 -3.626 -1.112 1.00 0.00 C ATOM 898 CG PHE A 59 -3.814 -5.035 -1.331 1.00 0.00 C ATOM 899 CD1 PHE A 59 -4.537 -5.347 -2.488 1.00 0.00 C ATOM 900 CD2 PHE A 59 -3.552 -6.028 -0.380 1.00 0.00 C ATOM 901 CE1 PHE A 59 -4.998 -6.652 -2.695 1.00 0.00 C ATOM 902 CE2 PHE A 59 -4.014 -7.334 -0.586 1.00 0.00 C ATOM 903 CZ PHE A 59 -4.737 -7.645 -1.745 1.00 0.00 C ATOM 0 H PHE A 59 -1.182 -5.187 -0.817 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.119 -3.180 -2.833 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.236 -3.421 -0.045 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.035 -2.911 -1.519 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.739 -4.580 -3.221 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.994 -5.787 0.513 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.555 -6.892 -3.588 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.813 -8.101 0.148 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.093 -8.652 -1.905 1.00 0.00 H new ATOM 913 N ALA A 60 -1.377 -1.121 -1.477 1.00 0.00 N ATOM 914 CA ALA A 60 -0.647 0.000 -0.829 1.00 0.00 C ATOM 915 C ALA A 60 -1.649 1.083 -0.433 1.00 0.00 C ATOM 916 O ALA A 60 -2.704 1.214 -1.021 1.00 0.00 O ATOM 917 CB ALA A 60 0.372 0.581 -1.812 1.00 0.00 C ATOM 0 H ALA A 60 -2.019 -0.847 -2.221 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.126 -0.362 0.057 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.908 1.403 -1.337 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.081 -0.195 -2.102 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.146 0.949 -2.698 1.00 0.00 H new ATOM 923 N PHE A 61 -1.330 1.852 0.564 1.00 0.00 N ATOM 924 CA PHE A 61 -2.261 2.923 1.012 1.00 0.00 C ATOM 925 C PHE A 61 -1.462 4.195 1.286 1.00 0.00 C ATOM 926 O PHE A 61 -0.752 4.269 2.260 1.00 0.00 O ATOM 927 CB PHE A 61 -2.927 2.486 2.312 1.00 0.00 C ATOM 928 CG PHE A 61 -4.352 2.076 2.068 1.00 0.00 C ATOM 929 CD1 PHE A 61 -5.244 2.972 1.474 1.00 0.00 C ATOM 930 CD2 PHE A 61 -4.786 0.803 2.453 1.00 0.00 C ATOM 931 CE1 PHE A 61 -6.571 2.595 1.262 1.00 0.00 C ATOM 932 CE2 PHE A 61 -6.114 0.425 2.243 1.00 0.00 C ATOM 933 CZ PHE A 61 -7.008 1.320 1.646 1.00 0.00 C ATOM 0 H PHE A 61 -0.460 1.786 1.092 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.011 3.105 0.242 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.374 1.654 2.748 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.897 3.302 3.034 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.907 3.955 1.179 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.094 0.113 2.913 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -7.261 3.286 0.802 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.450 -0.557 2.541 1.00 0.00 H new ATOM 0 HZ PHE A 61 -8.035 1.029 1.481 1.00 0.00 H new ATOM 943 N VAL A 62 -1.568 5.194 0.453 1.00 0.00 N ATOM 944 CA VAL A 62 -0.786 6.444 0.712 1.00 0.00 C ATOM 945 C VAL A 62 -1.678 7.671 0.555 1.00 0.00 C ATOM 946 O VAL A 62 -2.534 7.735 -0.304 1.00 0.00 O ATOM 947 CB VAL A 62 0.408 6.530 -0.256 1.00 0.00 C ATOM 948 CG1 VAL A 62 0.244 5.499 -1.370 1.00 0.00 C ATOM 949 CG2 VAL A 62 0.510 7.927 -0.861 1.00 0.00 C ATOM 0 H VAL A 62 -2.151 5.204 -0.384 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.411 6.415 1.735 1.00 0.00 H new ATOM 0 HB VAL A 62 1.322 6.323 0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.091 5.563 -2.053 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.202 4.499 -0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.678 5.697 -1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.360 7.967 -1.542 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.405 8.154 -1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.648 8.659 -0.065 1.00 0.00 H new ATOM 959 N ARG A 63 -1.458 8.654 1.380 1.00 0.00 N ATOM 960 CA ARG A 63 -2.263 9.904 1.296 1.00 0.00 C ATOM 961 C ARG A 63 -1.657 10.803 0.217 1.00 0.00 C ATOM 962 O ARG A 63 -0.533 11.249 0.328 1.00 0.00 O ATOM 963 CB ARG A 63 -2.222 10.623 2.648 1.00 0.00 C ATOM 964 CG ARG A 63 -3.071 11.895 2.588 1.00 0.00 C ATOM 965 CD ARG A 63 -2.889 12.687 3.884 1.00 0.00 C ATOM 966 NE ARG A 63 -1.524 13.284 3.913 1.00 0.00 N ATOM 967 CZ ARG A 63 -1.244 14.231 4.766 1.00 0.00 C ATOM 968 NH1 ARG A 63 -2.160 14.658 5.591 1.00 0.00 N ATOM 969 NH2 ARG A 63 -0.048 14.752 4.792 1.00 0.00 N ATOM 0 H ARG A 63 -0.750 8.646 2.114 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.298 9.670 1.045 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.595 9.963 3.432 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.193 10.874 2.905 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.776 12.503 1.733 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.121 11.639 2.450 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.642 13.472 3.952 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.030 12.034 4.745 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.808 12.952 3.266 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.095 14.252 5.569 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.941 15.398 6.258 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.667 14.419 4.146 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.171 15.492 5.459 1.00 0.00 H new ATOM 983 N PHE A 64 -2.387 11.062 -0.833 1.00 0.00 N ATOM 984 CA PHE A 64 -1.841 11.919 -1.923 1.00 0.00 C ATOM 985 C PHE A 64 -2.253 13.376 -1.705 1.00 0.00 C ATOM 986 O PHE A 64 -3.244 13.667 -1.065 1.00 0.00 O ATOM 987 CB PHE A 64 -2.381 11.437 -3.269 1.00 0.00 C ATOM 988 CG PHE A 64 -1.827 10.066 -3.572 1.00 0.00 C ATOM 989 CD1 PHE A 64 -0.589 9.939 -4.214 1.00 0.00 C ATOM 990 CD2 PHE A 64 -2.548 8.923 -3.210 1.00 0.00 C ATOM 991 CE1 PHE A 64 -0.073 8.668 -4.495 1.00 0.00 C ATOM 992 CE2 PHE A 64 -2.032 7.651 -3.490 1.00 0.00 C ATOM 993 CZ PHE A 64 -0.794 7.525 -4.133 1.00 0.00 C ATOM 0 H PHE A 64 -3.336 10.718 -0.983 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.753 11.851 -1.916 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.470 11.404 -3.245 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.101 12.136 -4.057 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.032 10.821 -4.492 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.503 9.021 -2.715 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.881 8.570 -4.991 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.588 6.768 -3.210 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.396 6.545 -4.350 1.00 0.00 H new ATOM 1003 N THR A 65 -1.498 14.292 -2.245 1.00 0.00 N ATOM 1004 CA THR A 65 -1.841 15.733 -2.085 1.00 0.00 C ATOM 1005 C THR A 65 -2.982 16.079 -3.042 1.00 0.00 C ATOM 1006 O THR A 65 -3.108 15.502 -4.105 1.00 0.00 O ATOM 1007 CB THR A 65 -0.617 16.591 -2.416 1.00 0.00 C ATOM 1008 OG1 THR A 65 0.564 15.882 -2.064 1.00 0.00 O ATOM 1009 CG2 THR A 65 -0.682 17.902 -1.631 1.00 0.00 C ATOM 0 H THR A 65 -0.657 14.105 -2.791 1.00 0.00 H new ATOM 0 HA THR A 65 -2.148 15.928 -1.057 1.00 0.00 H new ATOM 0 HB THR A 65 -0.605 16.812 -3.483 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.349 16.428 -2.277 1.00 0.00 H new ATOM 0 HG21 THR A 65 0.190 18.512 -1.868 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.588 18.444 -1.902 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.694 17.686 -0.563 1.00 0.00 H new ATOM 1017 N THR A 66 -3.816 17.015 -2.673 1.00 0.00 N ATOM 1018 CA THR A 66 -4.953 17.400 -3.558 1.00 0.00 C ATOM 1019 C THR A 66 -4.703 18.794 -4.135 1.00 0.00 C ATOM 1020 O THR A 66 -5.550 19.363 -4.796 1.00 0.00 O ATOM 1021 CB THR A 66 -6.248 17.411 -2.742 1.00 0.00 C ATOM 1022 OG1 THR A 66 -7.343 17.095 -3.591 1.00 0.00 O ATOM 1023 CG2 THR A 66 -6.457 18.797 -2.130 1.00 0.00 C ATOM 0 H THR A 66 -3.758 17.530 -1.795 1.00 0.00 H new ATOM 0 HA THR A 66 -5.040 16.681 -4.373 1.00 0.00 H new ATOM 0 HB THR A 66 -6.181 16.672 -1.944 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.348 17.704 -4.359 1.00 0.00 H new ATOM 0 HG21 THR A 66 -7.379 18.803 -1.549 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.617 19.038 -1.479 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.524 19.540 -2.925 1.00 0.00 H new ATOM 1134 N SER A 74 -6.272 17.035 1.548 1.00 0.00 N ATOM 1135 CA SER A 74 -5.397 15.924 1.079 1.00 0.00 C ATOM 1136 C SER A 74 -6.253 14.849 0.406 1.00 0.00 C ATOM 1137 O SER A 74 -7.455 14.802 0.577 1.00 0.00 O ATOM 1138 CB SER A 74 -4.663 15.315 2.272 1.00 0.00 C ATOM 1139 OG SER A 74 -3.373 14.883 1.862 1.00 0.00 O ATOM 0 HA SER A 74 -4.671 16.312 0.364 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.575 16.049 3.073 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.230 14.474 2.671 1.00 0.00 H new ATOM 0 HG SER A 74 -3.426 14.507 0.958 1.00 0.00 H new ATOM 1145 N LYS A 75 -5.642 13.988 -0.362 1.00 0.00 N ATOM 1146 CA LYS A 75 -6.420 12.919 -1.051 1.00 0.00 C ATOM 1147 C LYS A 75 -6.186 11.578 -0.350 1.00 0.00 C ATOM 1148 O LYS A 75 -5.144 11.338 0.228 1.00 0.00 O ATOM 1149 CB LYS A 75 -5.970 12.818 -2.509 1.00 0.00 C ATOM 1150 CG LYS A 75 -6.803 13.774 -3.365 1.00 0.00 C ATOM 1151 CD LYS A 75 -6.083 14.034 -4.689 1.00 0.00 C ATOM 1152 CE LYS A 75 -6.862 15.073 -5.498 1.00 0.00 C ATOM 1153 NZ LYS A 75 -8.276 15.107 -5.032 1.00 0.00 N ATOM 0 H LYS A 75 -4.638 13.979 -0.542 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.481 13.165 -1.014 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.912 13.066 -2.593 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.087 11.795 -2.867 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.788 13.346 -3.553 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.959 14.713 -2.833 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.070 14.389 -4.501 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.996 13.107 -5.256 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.406 16.056 -5.382 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.823 14.827 -6.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.862 15.596 -5.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.624 14.135 -4.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.331 15.613 -4.125 1.00 0.00 H new ATOM 1167 N PHE A 76 -7.155 10.706 -0.396 1.00 0.00 N ATOM 1168 CA PHE A 76 -7.009 9.379 0.266 1.00 0.00 C ATOM 1169 C PHE A 76 -7.473 8.282 -0.700 1.00 0.00 C ATOM 1170 O PHE A 76 -8.611 8.260 -1.120 1.00 0.00 O ATOM 1171 CB PHE A 76 -7.873 9.356 1.527 1.00 0.00 C ATOM 1172 CG PHE A 76 -7.465 10.486 2.442 1.00 0.00 C ATOM 1173 CD1 PHE A 76 -6.377 10.328 3.311 1.00 0.00 C ATOM 1174 CD2 PHE A 76 -8.175 11.692 2.424 1.00 0.00 C ATOM 1175 CE1 PHE A 76 -6.001 11.375 4.160 1.00 0.00 C ATOM 1176 CE2 PHE A 76 -7.798 12.740 3.273 1.00 0.00 C ATOM 1177 CZ PHE A 76 -6.712 12.581 4.141 1.00 0.00 C ATOM 0 H PHE A 76 -8.047 10.857 -0.867 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.967 9.206 0.535 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.926 9.453 1.261 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -7.760 8.401 2.040 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.828 9.398 3.326 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.014 11.814 1.755 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -5.163 11.253 4.830 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -8.345 13.671 3.258 1.00 0.00 H new ATOM 0 HZ PHE A 76 -6.422 13.389 4.797 1.00 0.00 H new ATOM 1187 N ALA A 77 -6.597 7.390 -1.083 1.00 0.00 N ATOM 1188 CA ALA A 77 -7.010 6.331 -2.048 1.00 0.00 C ATOM 1189 C ALA A 77 -6.330 4.993 -1.737 1.00 0.00 C ATOM 1190 O ALA A 77 -5.362 4.917 -1.007 1.00 0.00 O ATOM 1191 CB ALA A 77 -6.626 6.768 -3.463 1.00 0.00 C ATOM 0 H ALA A 77 -5.626 7.349 -0.774 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.088 6.195 -1.965 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.925 5.999 -4.175 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.132 7.703 -3.705 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.547 6.914 -3.518 1.00 0.00 H new ATOM 1197 N LEU A 78 -6.841 3.943 -2.320 1.00 0.00 N ATOM 1198 CA LEU A 78 -6.266 2.580 -2.122 1.00 0.00 C ATOM 1199 C LEU A 78 -5.586 2.179 -3.430 1.00 0.00 C ATOM 1200 O LEU A 78 -6.062 2.521 -4.494 1.00 0.00 O ATOM 1201 CB LEU A 78 -7.425 1.607 -1.814 1.00 0.00 C ATOM 1202 CG LEU A 78 -7.040 0.146 -2.109 1.00 0.00 C ATOM 1203 CD1 LEU A 78 -5.891 -0.291 -1.201 1.00 0.00 C ATOM 1204 CD2 LEU A 78 -8.252 -0.748 -1.836 1.00 0.00 C ATOM 0 H LEU A 78 -7.651 3.973 -2.939 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.548 2.559 -1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.711 1.703 -0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -8.297 1.880 -2.409 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.727 0.061 -3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.628 -1.326 -1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.026 0.348 -1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.199 -0.207 -0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.992 -1.786 -2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.550 -0.648 -0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.079 -0.447 -2.480 1.00 0.00 H new ATOM 1216 N ILE A 79 -4.502 1.448 -3.384 1.00 0.00 N ATOM 1217 CA ILE A 79 -3.846 1.031 -4.662 1.00 0.00 C ATOM 1218 C ILE A 79 -3.563 -0.473 -4.605 1.00 0.00 C ATOM 1219 O ILE A 79 -3.198 -1.005 -3.575 1.00 0.00 O ATOM 1220 CB ILE A 79 -2.550 1.822 -4.856 1.00 0.00 C ATOM 1221 CG1 ILE A 79 -2.908 3.305 -5.000 1.00 0.00 C ATOM 1222 CG2 ILE A 79 -1.829 1.343 -6.125 1.00 0.00 C ATOM 1223 CD1 ILE A 79 -1.675 4.103 -5.422 1.00 0.00 C ATOM 0 H ILE A 79 -4.047 1.125 -2.530 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.502 1.237 -5.508 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.891 1.672 -4.001 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.700 3.426 -5.739 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.293 3.688 -4.055 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.908 1.911 -6.256 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.592 0.283 -6.031 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.475 1.495 -6.990 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.940 5.156 -5.522 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.896 3.995 -4.668 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.309 3.729 -6.378 1.00 0.00 H new ATOM 1235 N THR A 80 -3.737 -1.163 -5.702 1.00 0.00 N ATOM 1236 CA THR A 80 -3.489 -2.635 -5.714 1.00 0.00 C ATOM 1237 C THR A 80 -2.275 -2.956 -6.590 1.00 0.00 C ATOM 1238 O THR A 80 -2.226 -2.590 -7.748 1.00 0.00 O ATOM 1239 CB THR A 80 -4.720 -3.350 -6.276 1.00 0.00 C ATOM 1240 OG1 THR A 80 -5.884 -2.877 -5.612 1.00 0.00 O ATOM 1241 CG2 THR A 80 -4.581 -4.857 -6.057 1.00 0.00 C ATOM 0 H THR A 80 -4.041 -0.769 -6.592 1.00 0.00 H new ATOM 0 HA THR A 80 -3.295 -2.973 -4.696 1.00 0.00 H new ATOM 0 HB THR A 80 -4.803 -3.147 -7.344 1.00 0.00 H new ATOM 0 HG1 THR A 80 -6.674 -3.332 -5.972 1.00 0.00 H new ATOM 0 HG21 THR A 80 -5.458 -5.365 -6.458 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.688 -5.218 -6.567 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.498 -5.063 -4.990 1.00 0.00 H new ATOM 1249 N TRP A 81 -1.294 -3.637 -6.057 1.00 0.00 N ATOM 1250 CA TRP A 81 -0.099 -3.971 -6.885 1.00 0.00 C ATOM 1251 C TRP A 81 -0.237 -5.386 -7.448 1.00 0.00 C ATOM 1252 O TRP A 81 -0.206 -6.357 -6.720 1.00 0.00 O ATOM 1253 CB TRP A 81 1.183 -3.893 -6.041 1.00 0.00 C ATOM 1254 CG TRP A 81 2.360 -4.160 -6.929 1.00 0.00 C ATOM 1255 CD1 TRP A 81 3.234 -5.181 -6.766 1.00 0.00 C ATOM 1256 CD2 TRP A 81 2.803 -3.429 -8.113 1.00 0.00 C ATOM 1257 NE1 TRP A 81 4.172 -5.133 -7.780 1.00 0.00 N ATOM 1258 CE2 TRP A 81 3.951 -4.073 -8.634 1.00 0.00 C ATOM 1259 CE3 TRP A 81 2.327 -2.286 -8.785 1.00 0.00 C ATOM 1260 CZ2 TRP A 81 4.600 -3.605 -9.777 1.00 0.00 C ATOM 1261 CZ3 TRP A 81 2.981 -1.811 -9.933 1.00 0.00 C ATOM 1262 CH2 TRP A 81 4.113 -2.471 -10.429 1.00 0.00 C ATOM 0 H TRP A 81 -1.268 -3.973 -5.094 1.00 0.00 H new ATOM 0 HA TRP A 81 -0.036 -3.250 -7.700 1.00 0.00 H new ATOM 0 HB2 TRP A 81 1.273 -2.909 -5.580 1.00 0.00 H new ATOM 0 HB3 TRP A 81 1.147 -4.622 -5.231 1.00 0.00 H new ATOM 0 HD1 TRP A 81 3.203 -5.914 -5.973 1.00 0.00 H new ATOM 0 HE1 TRP A 81 4.936 -5.801 -7.884 1.00 0.00 H new ATOM 0 HE3 TRP A 81 1.453 -1.771 -8.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.473 -4.117 -10.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 2.609 -0.931 -10.437 1.00 0.00 H new ATOM 0 HH2 TRP A 81 4.608 -2.103 -11.315 1.00 0.00 H new ATOM 1273 N ILE A 82 -0.373 -5.506 -8.741 1.00 0.00 N ATOM 1274 CA ILE A 82 -0.492 -6.855 -9.361 1.00 0.00 C ATOM 1275 C ILE A 82 0.775 -7.130 -10.174 1.00 0.00 C ATOM 1276 O ILE A 82 0.879 -6.753 -11.325 1.00 0.00 O ATOM 1277 CB ILE A 82 -1.713 -6.891 -10.283 1.00 0.00 C ATOM 1278 CG1 ILE A 82 -2.984 -6.718 -9.449 1.00 0.00 C ATOM 1279 CG2 ILE A 82 -1.762 -8.234 -11.015 1.00 0.00 C ATOM 1280 CD1 ILE A 82 -3.466 -8.085 -8.958 1.00 0.00 C ATOM 0 H ILE A 82 -0.407 -4.725 -9.396 1.00 0.00 H new ATOM 0 HA ILE A 82 -0.611 -7.613 -8.587 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.642 -6.084 -11.012 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.787 -6.064 -8.600 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.761 -6.240 -10.046 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.632 -8.259 -11.671 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.856 -8.358 -11.608 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.833 -9.043 -10.287 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -4.371 -7.960 -8.364 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.679 -8.725 -9.814 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.691 -8.546 -8.345 1.00 0.00 H new ATOM 1292 N GLY A 83 1.746 -7.769 -9.580 1.00 0.00 N ATOM 1293 CA GLY A 83 3.013 -8.050 -10.314 1.00 0.00 C ATOM 1294 C GLY A 83 2.803 -9.175 -11.322 1.00 0.00 C ATOM 1295 O GLY A 83 1.847 -9.921 -11.250 1.00 0.00 O ATOM 0 H GLY A 83 1.717 -8.109 -8.619 1.00 0.00 H new ATOM 0 HA2 GLY A 83 3.350 -7.150 -10.828 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.796 -8.326 -9.608 1.00 0.00 H new ATOM 1299 N GLU A 84 3.699 -9.299 -12.264 1.00 0.00 N ATOM 1300 CA GLU A 84 3.567 -10.375 -13.290 1.00 0.00 C ATOM 1301 C GLU A 84 4.659 -11.428 -13.077 1.00 0.00 C ATOM 1302 O GLU A 84 5.547 -11.586 -13.891 1.00 0.00 O ATOM 1303 CB GLU A 84 3.714 -9.766 -14.686 1.00 0.00 C ATOM 1304 CG GLU A 84 3.026 -8.400 -14.723 1.00 0.00 C ATOM 1305 CD GLU A 84 3.094 -7.832 -16.140 1.00 0.00 C ATOM 1306 OE1 GLU A 84 3.188 -8.618 -17.068 1.00 0.00 O ATOM 1307 OE2 GLU A 84 3.051 -6.620 -16.274 1.00 0.00 O ATOM 0 H GLU A 84 4.518 -8.701 -12.368 1.00 0.00 H new ATOM 0 HA GLU A 84 2.588 -10.846 -13.196 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.769 -9.660 -14.939 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.272 -10.428 -15.431 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.987 -8.496 -14.408 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.510 -7.718 -14.023 1.00 0.00 H new ATOM 1314 N ASP A 85 4.601 -12.150 -11.989 1.00 0.00 N ATOM 1315 CA ASP A 85 5.637 -13.193 -11.731 1.00 0.00 C ATOM 1316 C ASP A 85 5.205 -14.062 -10.550 1.00 0.00 C ATOM 1317 O ASP A 85 5.289 -15.274 -10.598 1.00 0.00 O ATOM 1318 CB ASP A 85 6.971 -12.518 -11.408 1.00 0.00 C ATOM 1319 CG ASP A 85 8.112 -13.312 -12.046 1.00 0.00 C ATOM 1320 OD1 ASP A 85 7.952 -14.509 -12.217 1.00 0.00 O ATOM 1321 OD2 ASP A 85 9.128 -12.709 -12.353 1.00 0.00 O ATOM 0 H ASP A 85 3.883 -12.063 -11.270 1.00 0.00 H new ATOM 0 HA ASP A 85 5.751 -13.818 -12.617 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.973 -11.494 -11.782 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.111 -12.463 -10.328 1.00 0.00 H new ATOM 1326 N VAL A 86 4.755 -13.456 -9.487 1.00 0.00 N ATOM 1327 CA VAL A 86 4.329 -14.249 -8.300 1.00 0.00 C ATOM 1328 C VAL A 86 3.542 -15.483 -8.751 1.00 0.00 C ATOM 1329 O VAL A 86 2.998 -15.523 -9.837 1.00 0.00 O ATOM 1330 CB VAL A 86 3.446 -13.383 -7.403 1.00 0.00 C ATOM 1331 CG1 VAL A 86 2.231 -12.910 -8.196 1.00 0.00 C ATOM 1332 CG2 VAL A 86 2.981 -14.206 -6.199 1.00 0.00 C ATOM 0 H VAL A 86 4.664 -12.445 -9.389 1.00 0.00 H new ATOM 0 HA VAL A 86 5.212 -14.570 -7.748 1.00 0.00 H new ATOM 0 HB VAL A 86 4.013 -12.520 -7.055 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.599 -12.292 -7.559 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.562 -12.326 -9.055 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.663 -13.774 -8.542 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.351 -13.589 -5.558 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.412 -15.068 -6.546 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.849 -14.547 -5.634 1.00 0.00 H new ATOM 1342 N SER A 87 3.486 -16.491 -7.925 1.00 0.00 N ATOM 1343 CA SER A 87 2.743 -17.730 -8.296 1.00 0.00 C ATOM 1344 C SER A 87 1.266 -17.404 -8.528 1.00 0.00 C ATOM 1345 O SER A 87 0.818 -16.298 -8.300 1.00 0.00 O ATOM 1346 CB SER A 87 2.867 -18.753 -7.167 1.00 0.00 C ATOM 1347 OG SER A 87 1.985 -18.395 -6.111 1.00 0.00 O ATOM 0 H SER A 87 3.925 -16.511 -7.004 1.00 0.00 H new ATOM 0 HA SER A 87 3.166 -18.141 -9.213 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.626 -19.750 -7.536 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.894 -18.788 -6.803 1.00 0.00 H new ATOM 0 HG SER A 87 2.060 -19.050 -5.386 1.00 0.00 H new ATOM 1353 N GLY A 88 0.505 -18.363 -8.987 1.00 0.00 N ATOM 1354 CA GLY A 88 -0.943 -18.117 -9.242 1.00 0.00 C ATOM 1355 C GLY A 88 -1.745 -18.297 -7.948 1.00 0.00 C ATOM 1356 O GLY A 88 -2.848 -17.802 -7.813 1.00 0.00 O ATOM 0 H GLY A 88 0.826 -19.308 -9.196 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.085 -17.108 -9.630 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.308 -18.806 -10.004 1.00 0.00 H new ATOM 1360 N LEU A 89 -1.207 -19.014 -7.000 1.00 0.00 N ATOM 1361 CA LEU A 89 -1.946 -19.239 -5.724 1.00 0.00 C ATOM 1362 C LEU A 89 -2.524 -17.915 -5.212 1.00 0.00 C ATOM 1363 O LEU A 89 -3.720 -17.709 -5.217 1.00 0.00 O ATOM 1364 CB LEU A 89 -0.988 -19.812 -4.677 1.00 0.00 C ATOM 1365 CG LEU A 89 -1.784 -20.595 -3.632 1.00 0.00 C ATOM 1366 CD1 LEU A 89 -2.038 -22.015 -4.141 1.00 0.00 C ATOM 1367 CD2 LEU A 89 -0.987 -20.658 -2.327 1.00 0.00 C ATOM 0 H LEU A 89 -0.288 -19.454 -7.053 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.761 -19.940 -5.902 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.257 -20.463 -5.156 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.432 -19.006 -4.198 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.737 -20.097 -3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.605 -22.573 -3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.605 -21.972 -5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.085 -22.513 -4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.553 -21.216 -1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.034 -21.156 -2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.805 -19.647 -1.963 1.00 0.00 H new ATOM 1379 N GLN A 90 -1.686 -17.022 -4.766 1.00 0.00 N ATOM 1380 CA GLN A 90 -2.192 -15.719 -4.248 1.00 0.00 C ATOM 1381 C GLN A 90 -3.175 -15.109 -5.250 1.00 0.00 C ATOM 1382 O GLN A 90 -4.004 -14.296 -4.894 1.00 0.00 O ATOM 1383 CB GLN A 90 -1.013 -14.767 -4.037 1.00 0.00 C ATOM 1384 CG GLN A 90 -0.055 -15.356 -2.999 1.00 0.00 C ATOM 1385 CD GLN A 90 -0.796 -15.565 -1.677 1.00 0.00 C ATOM 1386 OE1 GLN A 90 -1.721 -14.842 -1.365 1.00 0.00 O ATOM 1387 NE2 GLN A 90 -0.430 -16.534 -0.884 1.00 0.00 N ATOM 0 H GLN A 90 -0.673 -17.137 -4.737 1.00 0.00 H new ATOM 0 HA GLN A 90 -2.705 -15.880 -3.300 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.490 -14.606 -4.979 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -1.374 -13.794 -3.703 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.346 -16.304 -3.356 1.00 0.00 H new ATOM 0 HG3 GLN A 90 0.793 -14.687 -2.851 1.00 0.00 H new ATOM 0 HE21 GLN A 90 0.347 -17.141 -1.146 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.920 -16.684 -0.002 1.00 0.00 H new ATOM 1396 N ARG A 91 -3.098 -15.482 -6.497 1.00 0.00 N ATOM 1397 CA ARG A 91 -4.042 -14.902 -7.495 1.00 0.00 C ATOM 1398 C ARG A 91 -5.479 -15.144 -7.036 1.00 0.00 C ATOM 1399 O ARG A 91 -6.319 -14.267 -7.100 1.00 0.00 O ATOM 1400 CB ARG A 91 -3.825 -15.560 -8.858 1.00 0.00 C ATOM 1401 CG ARG A 91 -4.322 -14.623 -9.961 1.00 0.00 C ATOM 1402 CD ARG A 91 -4.319 -15.363 -11.300 1.00 0.00 C ATOM 1403 NE ARG A 91 -5.708 -15.435 -11.832 1.00 0.00 N ATOM 1404 CZ ARG A 91 -5.914 -15.747 -13.082 1.00 0.00 C ATOM 1405 NH1 ARG A 91 -4.900 -15.996 -13.867 1.00 0.00 N ATOM 1406 NH2 ARG A 91 -7.130 -15.810 -13.548 1.00 0.00 N ATOM 0 H ARG A 91 -2.429 -16.157 -6.867 1.00 0.00 H new ATOM 0 HA ARG A 91 -3.861 -13.831 -7.581 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.768 -15.781 -9.003 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.358 -16.509 -8.905 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.328 -14.273 -9.729 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.683 -13.742 -10.019 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.673 -14.848 -12.011 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.915 -16.367 -11.172 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.499 -15.240 -11.218 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.949 -15.946 -13.503 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.060 -16.240 -14.844 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.922 -15.615 -12.935 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.290 -16.054 -14.525 1.00 0.00 H new ATOM 1420 N ALA A 92 -5.772 -16.329 -6.576 1.00 0.00 N ATOM 1421 CA ALA A 92 -7.159 -16.628 -6.114 1.00 0.00 C ATOM 1422 C ALA A 92 -7.410 -15.966 -4.755 1.00 0.00 C ATOM 1423 O ALA A 92 -8.498 -15.502 -4.471 1.00 0.00 O ATOM 1424 CB ALA A 92 -7.336 -18.142 -5.982 1.00 0.00 C ATOM 0 H ALA A 92 -5.112 -17.103 -6.500 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.871 -16.237 -6.841 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.349 -18.362 -5.645 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.165 -18.614 -6.950 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.620 -18.530 -5.258 1.00 0.00 H new ATOM 1430 N LYS A 93 -6.412 -15.913 -3.916 1.00 0.00 N ATOM 1431 CA LYS A 93 -6.598 -15.278 -2.580 1.00 0.00 C ATOM 1432 C LYS A 93 -6.643 -13.758 -2.743 1.00 0.00 C ATOM 1433 O LYS A 93 -7.517 -13.093 -2.224 1.00 0.00 O ATOM 1434 CB LYS A 93 -5.433 -15.658 -1.664 1.00 0.00 C ATOM 1435 CG LYS A 93 -5.333 -17.184 -1.569 1.00 0.00 C ATOM 1436 CD LYS A 93 -6.292 -17.692 -0.491 1.00 0.00 C ATOM 1437 CE LYS A 93 -5.534 -17.866 0.825 1.00 0.00 C ATOM 1438 NZ LYS A 93 -6.503 -17.879 1.958 1.00 0.00 N ATOM 0 H LYS A 93 -5.478 -16.281 -4.097 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.532 -15.626 -2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -4.502 -15.246 -2.052 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.582 -15.230 -0.672 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.578 -17.636 -2.530 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -4.311 -17.478 -1.329 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.114 -16.988 -0.359 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.731 -18.641 -0.798 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.964 -18.795 0.809 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.817 -17.055 0.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.988 -17.997 2.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.028 -16.981 1.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -7.170 -18.667 1.835 1.00 0.00 H new ATOM 1452 N THR A 94 -5.707 -13.205 -3.463 1.00 0.00 N ATOM 1453 CA THR A 94 -5.696 -11.730 -3.666 1.00 0.00 C ATOM 1454 C THR A 94 -7.108 -11.253 -4.004 1.00 0.00 C ATOM 1455 O THR A 94 -7.686 -10.442 -3.309 1.00 0.00 O ATOM 1456 CB THR A 94 -4.754 -11.385 -4.823 1.00 0.00 C ATOM 1457 OG1 THR A 94 -3.415 -11.678 -4.447 1.00 0.00 O ATOM 1458 CG2 THR A 94 -4.880 -9.899 -5.162 1.00 0.00 C ATOM 0 H THR A 94 -4.949 -13.712 -3.920 1.00 0.00 H new ATOM 0 HA THR A 94 -5.353 -11.239 -2.755 1.00 0.00 H new ATOM 0 HB THR A 94 -5.022 -11.977 -5.698 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.123 -11.047 -3.757 1.00 0.00 H new ATOM 0 HG21 THR A 94 -4.209 -9.656 -5.986 1.00 0.00 H new ATOM 0 HG22 THR A 94 -5.907 -9.678 -5.453 1.00 0.00 H new ATOM 0 HG23 THR A 94 -4.614 -9.303 -4.289 1.00 0.00 H new ATOM 1466 N GLY A 95 -7.666 -11.756 -5.068 1.00 0.00 N ATOM 1467 CA GLY A 95 -9.041 -11.338 -5.462 1.00 0.00 C ATOM 1468 C GLY A 95 -9.951 -11.319 -4.232 1.00 0.00 C ATOM 1469 O GLY A 95 -10.524 -10.311 -3.887 1.00 0.00 O ATOM 0 H GLY A 95 -7.229 -12.441 -5.684 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.013 -10.349 -5.920 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -9.439 -12.024 -6.209 1.00 0.00 H new ATOM 1473 N THR A 96 -10.110 -12.434 -3.584 1.00 0.00 N ATOM 1474 CA THR A 96 -11.003 -12.483 -2.391 1.00 0.00 C ATOM 1475 C THR A 96 -10.465 -11.574 -1.279 1.00 0.00 C ATOM 1476 O THR A 96 -11.186 -10.767 -0.724 1.00 0.00 O ATOM 1477 CB THR A 96 -11.082 -13.922 -1.877 1.00 0.00 C ATOM 1478 OG1 THR A 96 -9.797 -14.524 -1.965 1.00 0.00 O ATOM 1479 CG2 THR A 96 -12.078 -14.716 -2.722 1.00 0.00 C ATOM 0 H THR A 96 -9.661 -13.317 -3.827 1.00 0.00 H new ATOM 0 HA THR A 96 -11.995 -12.135 -2.679 1.00 0.00 H new ATOM 0 HB THR A 96 -11.414 -13.919 -0.839 1.00 0.00 H new ATOM 0 HG1 THR A 96 -9.125 -13.835 -2.151 1.00 0.00 H new ATOM 0 HG21 THR A 96 -12.132 -15.740 -2.354 1.00 0.00 H new ATOM 0 HG22 THR A 96 -13.063 -14.253 -2.654 1.00 0.00 H new ATOM 0 HG23 THR A 96 -11.750 -14.721 -3.762 1.00 0.00 H new ATOM 1487 N ASP A 97 -9.218 -11.716 -0.925 1.00 0.00 N ATOM 1488 CA ASP A 97 -8.648 -10.884 0.174 1.00 0.00 C ATOM 1489 C ASP A 97 -8.777 -9.397 -0.154 1.00 0.00 C ATOM 1490 O ASP A 97 -9.191 -8.605 0.675 1.00 0.00 O ATOM 1491 CB ASP A 97 -7.170 -11.234 0.354 1.00 0.00 C ATOM 1492 CG ASP A 97 -7.036 -12.716 0.708 1.00 0.00 C ATOM 1493 OD1 ASP A 97 -8.016 -13.430 0.566 1.00 0.00 O ATOM 1494 OD2 ASP A 97 -5.956 -13.112 1.112 1.00 0.00 O ATOM 0 H ASP A 97 -8.566 -12.375 -1.351 1.00 0.00 H new ATOM 0 HA ASP A 97 -9.198 -11.089 1.092 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -6.620 -11.017 -0.562 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.733 -10.620 1.142 1.00 0.00 H new ATOM 1499 N LYS A 98 -8.444 -9.000 -1.349 1.00 0.00 N ATOM 1500 CA LYS A 98 -8.576 -7.561 -1.689 1.00 0.00 C ATOM 1501 C LYS A 98 -9.984 -7.110 -1.317 1.00 0.00 C ATOM 1502 O LYS A 98 -10.209 -5.978 -0.938 1.00 0.00 O ATOM 1503 CB LYS A 98 -8.326 -7.353 -3.185 1.00 0.00 C ATOM 1504 CG LYS A 98 -9.656 -7.280 -3.936 1.00 0.00 C ATOM 1505 CD LYS A 98 -9.393 -7.327 -5.442 1.00 0.00 C ATOM 1506 CE LYS A 98 -8.844 -5.976 -5.903 1.00 0.00 C ATOM 1507 NZ LYS A 98 -8.836 -5.925 -7.393 1.00 0.00 N ATOM 0 H LYS A 98 -8.091 -9.601 -2.094 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.842 -6.973 -1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.760 -6.435 -3.343 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.722 -8.171 -3.578 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.298 -8.110 -3.642 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.183 -6.362 -3.676 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.681 -8.120 -5.674 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.314 -7.559 -5.976 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.456 -5.167 -5.504 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.835 -5.831 -5.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.463 -5.006 -7.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.234 -6.688 -7.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.806 -6.045 -7.750 1.00 0.00 H new ATOM 1521 N THR A 99 -10.936 -7.999 -1.402 1.00 0.00 N ATOM 1522 CA THR A 99 -12.326 -7.632 -1.032 1.00 0.00 C ATOM 1523 C THR A 99 -12.335 -7.228 0.440 1.00 0.00 C ATOM 1524 O THR A 99 -12.971 -6.270 0.830 1.00 0.00 O ATOM 1525 CB THR A 99 -13.252 -8.832 -1.243 1.00 0.00 C ATOM 1526 OG1 THR A 99 -12.774 -9.610 -2.332 1.00 0.00 O ATOM 1527 CG2 THR A 99 -14.667 -8.340 -1.547 1.00 0.00 C ATOM 0 H THR A 99 -10.808 -8.962 -1.712 1.00 0.00 H new ATOM 0 HA THR A 99 -12.676 -6.807 -1.653 1.00 0.00 H new ATOM 0 HB THR A 99 -13.269 -9.442 -0.340 1.00 0.00 H new ATOM 0 HG1 THR A 99 -12.403 -10.452 -1.995 1.00 0.00 H new ATOM 0 HG21 THR A 99 -15.325 -9.196 -1.697 1.00 0.00 H new ATOM 0 HG22 THR A 99 -15.032 -7.743 -0.711 1.00 0.00 H new ATOM 0 HG23 THR A 99 -14.654 -7.730 -2.450 1.00 0.00 H new ATOM 1535 N LEU A 100 -11.616 -7.949 1.261 1.00 0.00 N ATOM 1536 CA LEU A 100 -11.568 -7.599 2.707 1.00 0.00 C ATOM 1537 C LEU A 100 -11.298 -6.101 2.839 1.00 0.00 C ATOM 1538 O LEU A 100 -12.079 -5.371 3.416 1.00 0.00 O ATOM 1539 CB LEU A 100 -10.456 -8.395 3.393 1.00 0.00 C ATOM 1540 CG LEU A 100 -10.765 -9.890 3.285 1.00 0.00 C ATOM 1541 CD1 LEU A 100 -9.599 -10.700 3.855 1.00 0.00 C ATOM 1542 CD2 LEU A 100 -12.038 -10.209 4.073 1.00 0.00 C ATOM 0 H LEU A 100 -11.062 -8.762 0.991 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.517 -7.844 3.183 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -9.495 -8.176 2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.377 -8.103 4.440 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.910 -10.152 2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.822 -11.764 3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.692 -10.477 3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.451 -10.437 4.902 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.257 -11.274 3.995 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.894 -9.944 5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -12.871 -9.637 3.665 1.00 0.00 H new ATOM 1554 N VAL A 101 -10.211 -5.625 2.292 1.00 0.00 N ATOM 1555 CA VAL A 101 -9.933 -4.163 2.378 1.00 0.00 C ATOM 1556 C VAL A 101 -11.130 -3.430 1.776 1.00 0.00 C ATOM 1557 O VAL A 101 -11.706 -2.546 2.377 1.00 0.00 O ATOM 1558 CB VAL A 101 -8.667 -3.829 1.585 1.00 0.00 C ATOM 1559 CG1 VAL A 101 -8.173 -2.435 1.974 1.00 0.00 C ATOM 1560 CG2 VAL A 101 -7.582 -4.861 1.900 1.00 0.00 C ATOM 0 H VAL A 101 -9.512 -6.178 1.796 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.780 -3.861 3.414 1.00 0.00 H new ATOM 0 HB VAL A 101 -8.891 -3.850 0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -7.272 -2.198 1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -8.946 -1.700 1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.949 -2.413 3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.680 -4.624 1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.359 -4.840 2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.933 -5.855 1.622 1.00 0.00 H new ATOM 1570 N LYS A 102 -11.519 -3.826 0.599 1.00 0.00 N ATOM 1571 CA LYS A 102 -12.698 -3.205 -0.071 1.00 0.00 C ATOM 1572 C LYS A 102 -13.958 -3.516 0.744 1.00 0.00 C ATOM 1573 O LYS A 102 -15.064 -3.215 0.343 1.00 0.00 O ATOM 1574 CB LYS A 102 -12.846 -3.773 -1.484 1.00 0.00 C ATOM 1575 CG LYS A 102 -13.116 -2.633 -2.467 1.00 0.00 C ATOM 1576 CD LYS A 102 -13.662 -3.205 -3.778 1.00 0.00 C ATOM 1577 CE LYS A 102 -13.885 -2.070 -4.778 1.00 0.00 C ATOM 1578 NZ LYS A 102 -15.164 -1.374 -4.461 1.00 0.00 N ATOM 0 H LYS A 102 -11.064 -4.565 0.063 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.558 -2.126 -0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.939 -4.306 -1.770 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -13.663 -4.494 -1.514 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -13.832 -1.931 -2.038 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -12.198 -2.077 -2.656 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.962 -3.933 -4.189 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -14.599 -3.731 -3.595 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.055 -1.365 -4.736 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -13.916 -2.466 -5.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -15.317 -0.602 -5.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -15.952 -2.050 -4.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -15.117 -0.984 -3.498 1.00 0.00 H new ATOM 1592 N GLU A 103 -13.789 -4.107 1.895 1.00 0.00 N ATOM 1593 CA GLU A 103 -14.964 -4.431 2.753 1.00 0.00 C ATOM 1594 C GLU A 103 -15.101 -3.370 3.848 1.00 0.00 C ATOM 1595 O GLU A 103 -16.182 -2.894 4.130 1.00 0.00 O ATOM 1596 CB GLU A 103 -14.774 -5.805 3.397 1.00 0.00 C ATOM 1597 CG GLU A 103 -16.140 -6.387 3.768 1.00 0.00 C ATOM 1598 CD GLU A 103 -16.019 -7.182 5.069 1.00 0.00 C ATOM 1599 OE1 GLU A 103 -15.418 -6.670 5.999 1.00 0.00 O ATOM 1600 OE2 GLU A 103 -16.530 -8.290 5.114 1.00 0.00 O ATOM 0 H GLU A 103 -12.885 -4.380 2.279 1.00 0.00 H new ATOM 0 HA GLU A 103 -15.865 -4.444 2.139 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -14.257 -6.473 2.708 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -14.150 -5.719 4.286 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -16.869 -5.585 3.886 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -16.502 -7.032 2.967 1.00 0.00 H new ATOM 1607 N VAL A 104 -14.011 -3.003 4.470 1.00 0.00 N ATOM 1608 CA VAL A 104 -14.072 -1.980 5.556 1.00 0.00 C ATOM 1609 C VAL A 104 -13.147 -0.808 5.219 1.00 0.00 C ATOM 1610 O VAL A 104 -12.200 -0.540 5.932 1.00 0.00 O ATOM 1611 CB VAL A 104 -13.613 -2.616 6.871 1.00 0.00 C ATOM 1612 CG1 VAL A 104 -13.439 -1.531 7.939 1.00 0.00 C ATOM 1613 CG2 VAL A 104 -14.659 -3.627 7.341 1.00 0.00 C ATOM 0 H VAL A 104 -13.079 -3.368 4.272 1.00 0.00 H new ATOM 0 HA VAL A 104 -15.095 -1.617 5.652 1.00 0.00 H new ATOM 0 HB VAL A 104 -12.661 -3.122 6.712 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -13.112 -1.989 8.873 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -12.692 -0.810 7.607 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.389 -1.021 8.098 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -14.332 -4.080 8.277 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -15.611 -3.120 7.496 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -14.780 -4.403 6.585 1.00 0.00 H new ATOM 1623 N VAL A 105 -13.407 -0.100 4.149 1.00 0.00 N ATOM 1624 CA VAL A 105 -12.529 1.051 3.798 1.00 0.00 C ATOM 1625 C VAL A 105 -13.375 2.284 3.462 1.00 0.00 C ATOM 1626 O VAL A 105 -14.107 2.315 2.494 1.00 0.00 O ATOM 1627 CB VAL A 105 -11.640 0.687 2.603 1.00 0.00 C ATOM 1628 CG1 VAL A 105 -12.439 0.779 1.301 1.00 0.00 C ATOM 1629 CG2 VAL A 105 -10.460 1.661 2.552 1.00 0.00 C ATOM 0 H VAL A 105 -14.183 -0.269 3.509 1.00 0.00 H new ATOM 0 HA VAL A 105 -11.898 1.282 4.656 1.00 0.00 H new ATOM 0 HB VAL A 105 -11.278 -0.335 2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -11.796 0.518 0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -13.281 0.089 1.342 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -12.809 1.796 1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.820 1.413 1.706 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -10.833 2.679 2.438 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.886 1.586 3.476 1.00 0.00 H new ATOM 1639 N GLN A 106 -13.259 3.305 4.264 1.00 0.00 N ATOM 1640 CA GLN A 106 -14.024 4.559 4.016 1.00 0.00 C ATOM 1641 C GLN A 106 -13.024 5.711 3.962 1.00 0.00 C ATOM 1642 O GLN A 106 -13.168 6.649 3.203 1.00 0.00 O ATOM 1643 CB GLN A 106 -15.019 4.791 5.154 1.00 0.00 C ATOM 1644 CG GLN A 106 -14.394 4.350 6.479 1.00 0.00 C ATOM 1645 CD GLN A 106 -14.488 2.829 6.608 1.00 0.00 C ATOM 1646 OE1 GLN A 106 -13.540 2.180 7.002 1.00 0.00 O ATOM 1647 NE2 GLN A 106 -15.602 2.227 6.288 1.00 0.00 N ATOM 0 H GLN A 106 -12.660 3.324 5.090 1.00 0.00 H new ATOM 0 HA GLN A 106 -14.578 4.490 3.080 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -15.293 5.845 5.202 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -15.936 4.232 4.969 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -13.352 4.665 6.524 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -14.908 4.828 7.313 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -16.399 2.771 5.957 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -15.675 1.213 6.369 1.00 0.00 H new ATOM 1656 N ASN A 107 -12.012 5.636 4.782 1.00 0.00 N ATOM 1657 CA ASN A 107 -10.975 6.709 4.818 1.00 0.00 C ATOM 1658 C ASN A 107 -10.284 6.827 3.450 1.00 0.00 C ATOM 1659 O ASN A 107 -9.121 7.163 3.365 1.00 0.00 O ATOM 1660 CB ASN A 107 -9.933 6.368 5.886 1.00 0.00 C ATOM 1661 CG ASN A 107 -10.397 6.898 7.244 1.00 0.00 C ATOM 1662 OD1 ASN A 107 -11.572 7.134 7.447 1.00 0.00 O ATOM 1663 ND2 ASN A 107 -9.519 7.099 8.188 1.00 0.00 N ATOM 0 H ASN A 107 -11.857 4.869 5.436 1.00 0.00 H new ATOM 0 HA ASN A 107 -11.453 7.659 5.056 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -9.788 5.289 5.936 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -8.971 6.807 5.623 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.819 7.454 9.096 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.533 6.901 8.018 1.00 0.00 H new ATOM 1670 N PHE A 108 -10.989 6.563 2.381 1.00 0.00 N ATOM 1671 CA PHE A 108 -10.372 6.673 1.028 1.00 0.00 C ATOM 1672 C PHE A 108 -11.381 7.307 0.068 1.00 0.00 C ATOM 1673 O PHE A 108 -12.556 7.002 0.097 1.00 0.00 O ATOM 1674 CB PHE A 108 -9.988 5.283 0.516 1.00 0.00 C ATOM 1675 CG PHE A 108 -11.184 4.637 -0.138 1.00 0.00 C ATOM 1676 CD1 PHE A 108 -12.383 4.502 0.571 1.00 0.00 C ATOM 1677 CD2 PHE A 108 -11.095 4.178 -1.457 1.00 0.00 C ATOM 1678 CE1 PHE A 108 -13.494 3.908 -0.039 1.00 0.00 C ATOM 1679 CE2 PHE A 108 -12.205 3.583 -2.068 1.00 0.00 C ATOM 1680 CZ PHE A 108 -13.404 3.448 -1.359 1.00 0.00 C ATOM 0 H PHE A 108 -11.968 6.275 2.388 1.00 0.00 H new ATOM 0 HA PHE A 108 -9.476 7.291 1.087 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -9.168 5.361 -0.198 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -9.634 4.665 1.341 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -12.451 4.856 1.589 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -10.170 4.283 -2.004 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -14.420 3.804 0.508 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -12.136 3.228 -3.086 1.00 0.00 H new ATOM 0 HZ PHE A 108 -14.261 2.989 -1.830 1.00 0.00 H new ATOM 1690 N ALA A 109 -10.933 8.185 -0.784 1.00 0.00 N ATOM 1691 CA ALA A 109 -11.867 8.833 -1.744 1.00 0.00 C ATOM 1692 C ALA A 109 -12.153 7.874 -2.901 1.00 0.00 C ATOM 1693 O ALA A 109 -13.247 7.826 -3.427 1.00 0.00 O ATOM 1694 CB ALA A 109 -11.233 10.114 -2.288 1.00 0.00 C ATOM 0 H ALA A 109 -9.960 8.482 -0.857 1.00 0.00 H new ATOM 0 HA ALA A 109 -12.799 9.078 -1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.917 10.588 -2.991 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -11.028 10.797 -1.464 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -10.301 9.871 -2.797 1.00 0.00 H new ATOM 1700 N LYS A 110 -11.174 7.107 -3.301 1.00 0.00 N ATOM 1701 CA LYS A 110 -11.386 6.151 -4.423 1.00 0.00 C ATOM 1702 C LYS A 110 -10.275 5.099 -4.413 1.00 0.00 C ATOM 1703 O LYS A 110 -9.206 5.317 -3.879 1.00 0.00 O ATOM 1704 CB LYS A 110 -11.358 6.910 -5.751 1.00 0.00 C ATOM 1705 CG LYS A 110 -12.114 6.110 -6.815 1.00 0.00 C ATOM 1706 CD LYS A 110 -11.412 6.261 -8.168 1.00 0.00 C ATOM 1707 CE LYS A 110 -11.483 7.719 -8.624 1.00 0.00 C ATOM 1708 NZ LYS A 110 -11.424 7.778 -10.112 1.00 0.00 N ATOM 0 H LYS A 110 -10.237 7.102 -2.898 1.00 0.00 H new ATOM 0 HA LYS A 110 -12.352 5.660 -4.305 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -11.813 7.893 -5.629 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -10.328 7.072 -6.067 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -12.156 5.058 -6.532 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -13.143 6.463 -6.887 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -10.372 5.945 -8.086 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -11.884 5.615 -8.908 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -12.405 8.178 -8.268 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -10.658 8.286 -8.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -11.641 8.744 -10.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -10.470 7.514 -10.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -12.119 7.117 -10.513 1.00 0.00 H new ATOM 1722 N GLU A 111 -10.516 3.960 -5.005 1.00 0.00 N ATOM 1723 CA GLU A 111 -9.473 2.896 -5.035 1.00 0.00 C ATOM 1724 C GLU A 111 -8.859 2.843 -6.434 1.00 0.00 C ATOM 1725 O GLU A 111 -9.468 3.258 -7.400 1.00 0.00 O ATOM 1726 CB GLU A 111 -10.109 1.545 -4.703 1.00 0.00 C ATOM 1727 CG GLU A 111 -11.157 1.200 -5.761 1.00 0.00 C ATOM 1728 CD GLU A 111 -10.660 0.028 -6.610 1.00 0.00 C ATOM 1729 OE1 GLU A 111 -9.834 0.259 -7.478 1.00 0.00 O ATOM 1730 OE2 GLU A 111 -11.115 -1.080 -6.378 1.00 0.00 O ATOM 0 H GLU A 111 -11.392 3.721 -5.470 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.699 3.117 -4.300 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.344 0.770 -4.668 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.571 1.581 -3.717 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -12.101 0.941 -5.282 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.348 2.066 -6.394 1.00 0.00 H new ATOM 1737 N PHE A 112 -7.658 2.344 -6.556 1.00 0.00 N ATOM 1738 CA PHE A 112 -7.019 2.282 -7.900 1.00 0.00 C ATOM 1739 C PHE A 112 -6.278 0.955 -8.069 1.00 0.00 C ATOM 1740 O PHE A 112 -5.866 0.336 -7.108 1.00 0.00 O ATOM 1741 CB PHE A 112 -6.036 3.444 -8.038 1.00 0.00 C ATOM 1742 CG PHE A 112 -6.796 4.686 -8.436 1.00 0.00 C ATOM 1743 CD1 PHE A 112 -7.095 4.922 -9.783 1.00 0.00 C ATOM 1744 CD2 PHE A 112 -7.210 5.596 -7.456 1.00 0.00 C ATOM 1745 CE1 PHE A 112 -7.807 6.070 -10.149 1.00 0.00 C ATOM 1746 CE2 PHE A 112 -7.923 6.742 -7.823 1.00 0.00 C ATOM 1747 CZ PHE A 112 -8.222 6.980 -9.170 1.00 0.00 C ATOM 0 H PHE A 112 -7.096 1.979 -5.787 1.00 0.00 H new ATOM 0 HA PHE A 112 -7.787 2.354 -8.671 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -5.513 3.608 -7.096 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -5.279 3.210 -8.786 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -6.777 4.219 -10.539 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -6.979 5.413 -6.417 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -8.036 6.254 -11.188 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -8.243 7.444 -7.067 1.00 0.00 H new ATOM 0 HZ PHE A 112 -8.772 7.865 -9.453 1.00 0.00 H new ATOM 1757 N VAL A 113 -6.104 0.522 -9.289 1.00 0.00 N ATOM 1758 CA VAL A 113 -5.385 -0.759 -9.541 1.00 0.00 C ATOM 1759 C VAL A 113 -4.148 -0.472 -10.392 1.00 0.00 C ATOM 1760 O VAL A 113 -4.075 0.533 -11.071 1.00 0.00 O ATOM 1761 CB VAL A 113 -6.307 -1.726 -10.288 1.00 0.00 C ATOM 1762 CG1 VAL A 113 -6.810 -1.063 -11.572 1.00 0.00 C ATOM 1763 CG2 VAL A 113 -5.532 -2.997 -10.642 1.00 0.00 C ATOM 0 H VAL A 113 -6.431 1.004 -10.126 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.087 -1.208 -8.594 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.156 -1.981 -9.654 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -7.467 -1.752 -12.104 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.361 -0.157 -11.322 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.961 -0.808 -12.206 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.187 -3.687 -11.174 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.683 -2.741 -11.276 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.172 -3.470 -9.728 1.00 0.00 H new ATOM 1773 N ILE A 114 -3.171 -1.335 -10.356 1.00 0.00 N ATOM 1774 CA ILE A 114 -1.939 -1.094 -11.159 1.00 0.00 C ATOM 1775 C ILE A 114 -1.508 -2.389 -11.849 1.00 0.00 C ATOM 1776 O ILE A 114 -1.699 -3.474 -11.337 1.00 0.00 O ATOM 1777 CB ILE A 114 -0.805 -0.613 -10.246 1.00 0.00 C ATOM 1778 CG1 ILE A 114 -1.373 0.176 -9.054 1.00 0.00 C ATOM 1779 CG2 ILE A 114 0.148 0.280 -11.042 1.00 0.00 C ATOM 1780 CD1 ILE A 114 -2.048 1.465 -9.540 1.00 0.00 C ATOM 0 H ILE A 114 -3.172 -2.195 -9.807 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.153 -0.332 -11.908 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.266 -1.482 -9.868 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -2.093 -0.438 -8.513 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -0.572 0.418 -8.355 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.954 0.622 -10.393 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.567 -0.286 -11.874 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -0.397 1.141 -11.428 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.445 2.012 -8.685 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.317 2.085 -10.060 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -2.862 1.215 -10.221 1.00 0.00 H new ATOM 1792 N SER A 115 -0.917 -2.276 -13.007 1.00 0.00 N ATOM 1793 CA SER A 115 -0.457 -3.489 -13.739 1.00 0.00 C ATOM 1794 C SER A 115 0.971 -3.256 -14.241 1.00 0.00 C ATOM 1795 O SER A 115 1.590 -4.135 -14.809 1.00 0.00 O ATOM 1796 CB SER A 115 -1.382 -3.751 -14.929 1.00 0.00 C ATOM 1797 OG SER A 115 -2.642 -3.143 -14.684 1.00 0.00 O ATOM 0 H SER A 115 -0.732 -1.391 -13.479 1.00 0.00 H new ATOM 0 HA SER A 115 -0.478 -4.351 -13.073 1.00 0.00 H new ATOM 0 HB2 SER A 115 -0.942 -3.349 -15.842 1.00 0.00 H new ATOM 0 HB3 SER A 115 -1.505 -4.823 -15.080 1.00 0.00 H new ATOM 0 HG SER A 115 -2.567 -2.174 -14.808 1.00 0.00 H new ATOM 1803 N ASP A 116 1.498 -2.079 -14.036 1.00 0.00 N ATOM 1804 CA ASP A 116 2.884 -1.790 -14.500 1.00 0.00 C ATOM 1805 C ASP A 116 3.459 -0.621 -13.696 1.00 0.00 C ATOM 1806 O ASP A 116 2.812 0.388 -13.501 1.00 0.00 O ATOM 1807 CB ASP A 116 2.858 -1.425 -15.985 1.00 0.00 C ATOM 1808 CG ASP A 116 3.530 -2.533 -16.797 1.00 0.00 C ATOM 1809 OD1 ASP A 116 3.117 -3.673 -16.662 1.00 0.00 O ATOM 1810 OD2 ASP A 116 4.447 -2.224 -17.540 1.00 0.00 O ATOM 0 H ASP A 116 1.028 -1.305 -13.567 1.00 0.00 H new ATOM 0 HA ASP A 116 3.508 -2.672 -14.353 1.00 0.00 H new ATOM 0 HB2 ASP A 116 1.829 -1.289 -16.318 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.373 -0.478 -16.146 1.00 0.00 H new ATOM 1815 N ARG A 117 4.669 -0.751 -13.225 1.00 0.00 N ATOM 1816 CA ARG A 117 5.286 0.349 -12.433 1.00 0.00 C ATOM 1817 C ARG A 117 5.012 1.690 -13.116 1.00 0.00 C ATOM 1818 O ARG A 117 4.995 2.728 -12.483 1.00 0.00 O ATOM 1819 CB ARG A 117 6.797 0.124 -12.342 1.00 0.00 C ATOM 1820 CG ARG A 117 7.339 0.791 -11.076 1.00 0.00 C ATOM 1821 CD ARG A 117 8.840 0.521 -10.959 1.00 0.00 C ATOM 1822 NE ARG A 117 9.569 1.304 -11.996 1.00 0.00 N ATOM 1823 CZ ARG A 117 10.861 1.465 -11.906 1.00 0.00 C ATOM 1824 NH1 ARG A 117 11.515 0.937 -10.908 1.00 0.00 N ATOM 1825 NH2 ARG A 117 11.498 2.152 -12.814 1.00 0.00 N ATOM 0 H ARG A 117 5.258 -1.574 -13.355 1.00 0.00 H new ATOM 0 HA ARG A 117 4.857 0.359 -11.431 1.00 0.00 H new ATOM 0 HB2 ARG A 117 7.016 -0.944 -12.325 1.00 0.00 H new ATOM 0 HB3 ARG A 117 7.290 0.536 -13.222 1.00 0.00 H new ATOM 0 HG2 ARG A 117 7.154 1.865 -11.110 1.00 0.00 H new ATOM 0 HG3 ARG A 117 6.820 0.405 -10.198 1.00 0.00 H new ATOM 0 HD2 ARG A 117 9.193 0.796 -9.965 1.00 0.00 H new ATOM 0 HD3 ARG A 117 9.040 -0.543 -11.085 1.00 0.00 H new ATOM 0 HE ARG A 117 9.058 1.715 -12.777 1.00 0.00 H new ATOM 0 HH11 ARG A 117 11.016 0.399 -10.199 1.00 0.00 H new ATOM 0 HH12 ARG A 117 12.525 1.062 -10.837 1.00 0.00 H new ATOM 0 HH21 ARG A 117 10.986 2.563 -13.594 1.00 0.00 H new ATOM 0 HH22 ARG A 117 12.508 2.278 -12.743 1.00 0.00 H new ATOM 1839 N LYS A 118 4.796 1.680 -14.403 1.00 0.00 N ATOM 1840 CA LYS A 118 4.523 2.956 -15.121 1.00 0.00 C ATOM 1841 C LYS A 118 3.090 3.405 -14.830 1.00 0.00 C ATOM 1842 O LYS A 118 2.738 4.553 -15.017 1.00 0.00 O ATOM 1843 CB LYS A 118 4.695 2.743 -16.627 1.00 0.00 C ATOM 1844 CG LYS A 118 5.453 3.928 -17.227 1.00 0.00 C ATOM 1845 CD LYS A 118 5.430 3.831 -18.753 1.00 0.00 C ATOM 1846 CE LYS A 118 5.824 5.179 -19.358 1.00 0.00 C ATOM 1847 NZ LYS A 118 5.974 5.038 -20.833 1.00 0.00 N ATOM 0 H LYS A 118 4.797 0.844 -14.987 1.00 0.00 H new ATOM 0 HA LYS A 118 5.221 3.721 -14.782 1.00 0.00 H new ATOM 0 HB2 LYS A 118 5.239 1.817 -16.814 1.00 0.00 H new ATOM 0 HB3 LYS A 118 3.720 2.642 -17.104 1.00 0.00 H new ATOM 0 HG2 LYS A 118 4.998 4.865 -16.905 1.00 0.00 H new ATOM 0 HG3 LYS A 118 6.482 3.934 -16.868 1.00 0.00 H new ATOM 0 HD2 LYS A 118 6.118 3.055 -19.089 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.435 3.544 -19.094 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.066 5.928 -19.129 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.759 5.527 -18.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 6.242 5.955 -21.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 6.713 4.336 -21.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 5.072 4.724 -21.245 1.00 0.00 H new ATOM 1861 N GLU A 119 2.261 2.507 -14.374 1.00 0.00 N ATOM 1862 CA GLU A 119 0.851 2.880 -14.070 1.00 0.00 C ATOM 1863 C GLU A 119 0.765 3.430 -12.645 1.00 0.00 C ATOM 1864 O GLU A 119 -0.281 3.846 -12.195 1.00 0.00 O ATOM 1865 CB GLU A 119 -0.041 1.644 -14.197 1.00 0.00 C ATOM 1866 CG GLU A 119 -0.480 1.478 -15.653 1.00 0.00 C ATOM 1867 CD GLU A 119 -1.401 0.262 -15.773 1.00 0.00 C ATOM 1868 OE1 GLU A 119 -1.653 -0.369 -14.760 1.00 0.00 O ATOM 1869 OE2 GLU A 119 -1.839 -0.017 -16.878 1.00 0.00 O ATOM 0 H GLU A 119 2.499 1.531 -14.199 1.00 0.00 H new ATOM 0 HA GLU A 119 0.516 3.643 -14.773 1.00 0.00 H new ATOM 0 HB2 GLU A 119 0.499 0.757 -13.866 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.914 1.745 -13.552 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -0.998 2.375 -15.992 1.00 0.00 H new ATOM 0 HG3 GLU A 119 0.392 1.352 -16.295 1.00 0.00 H new ATOM 1876 N LEU A 120 1.855 3.425 -11.927 1.00 0.00 N ATOM 1877 CA LEU A 120 1.837 3.941 -10.530 1.00 0.00 C ATOM 1878 C LEU A 120 2.516 5.310 -10.500 1.00 0.00 C ATOM 1879 O LEU A 120 3.132 5.695 -9.526 1.00 0.00 O ATOM 1880 CB LEU A 120 2.597 2.966 -9.626 1.00 0.00 C ATOM 1881 CG LEU A 120 1.714 2.553 -8.442 1.00 0.00 C ATOM 1882 CD1 LEU A 120 2.360 1.384 -7.687 1.00 0.00 C ATOM 1883 CD2 LEU A 120 1.556 3.739 -7.490 1.00 0.00 C ATOM 0 H LEU A 120 2.761 3.084 -12.250 1.00 0.00 H new ATOM 0 HA LEU A 120 0.810 4.035 -10.176 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.893 2.084 -10.195 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.513 3.432 -9.262 1.00 0.00 H new ATOM 0 HG LEU A 120 0.738 2.244 -8.816 1.00 0.00 H new ATOM 0 HD11 LEU A 120 1.726 1.098 -6.848 1.00 0.00 H new ATOM 0 HD12 LEU A 120 2.475 0.535 -8.361 1.00 0.00 H new ATOM 0 HD13 LEU A 120 3.339 1.688 -7.315 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.929 3.448 -6.647 1.00 0.00 H new ATOM 0 HD22 LEU A 120 2.536 4.045 -7.124 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.090 4.571 -8.019 1.00 0.00 H new ATOM 1895 N GLU A 121 2.407 6.045 -11.572 1.00 0.00 N ATOM 1896 CA GLU A 121 3.041 7.386 -11.637 1.00 0.00 C ATOM 1897 C GLU A 121 2.132 8.421 -10.973 1.00 0.00 C ATOM 1898 O GLU A 121 0.933 8.248 -10.889 1.00 0.00 O ATOM 1899 CB GLU A 121 3.251 7.752 -13.104 1.00 0.00 C ATOM 1900 CG GLU A 121 4.116 6.685 -13.780 1.00 0.00 C ATOM 1901 CD GLU A 121 5.593 6.981 -13.516 1.00 0.00 C ATOM 1902 OE1 GLU A 121 5.990 6.931 -12.363 1.00 0.00 O ATOM 1903 OE2 GLU A 121 6.302 7.253 -14.470 1.00 0.00 O ATOM 0 H GLU A 121 1.900 5.768 -12.413 1.00 0.00 H new ATOM 0 HA GLU A 121 3.997 7.371 -11.114 1.00 0.00 H new ATOM 0 HB2 GLU A 121 2.289 7.830 -13.611 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.732 8.727 -13.181 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.858 5.697 -13.398 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.923 6.672 -14.853 1.00 0.00 H new ATOM 1910 N GLU A 122 2.692 9.497 -10.497 1.00 0.00 N ATOM 1911 CA GLU A 122 1.855 10.537 -9.839 1.00 0.00 C ATOM 1912 C GLU A 122 0.942 11.190 -10.880 1.00 0.00 C ATOM 1913 O GLU A 122 -0.252 11.305 -10.686 1.00 0.00 O ATOM 1914 CB GLU A 122 2.760 11.603 -9.217 1.00 0.00 C ATOM 1915 CG GLU A 122 4.122 10.988 -8.888 1.00 0.00 C ATOM 1916 CD GLU A 122 4.773 11.772 -7.745 1.00 0.00 C ATOM 1917 OE1 GLU A 122 4.383 12.908 -7.534 1.00 0.00 O ATOM 1918 OE2 GLU A 122 5.652 11.221 -7.101 1.00 0.00 O ATOM 0 H GLU A 122 3.691 9.701 -10.535 1.00 0.00 H new ATOM 0 HA GLU A 122 1.248 10.075 -9.060 1.00 0.00 H new ATOM 0 HB2 GLU A 122 2.883 12.438 -9.907 1.00 0.00 H new ATOM 0 HB3 GLU A 122 2.301 12.002 -8.312 1.00 0.00 H new ATOM 0 HG2 GLU A 122 4.002 9.943 -8.604 1.00 0.00 H new ATOM 0 HG3 GLU A 122 4.764 11.007 -9.769 1.00 0.00 H new ATOM 1925 N ASP A 123 1.495 11.629 -11.976 1.00 0.00 N ATOM 1926 CA ASP A 123 0.662 12.289 -13.025 1.00 0.00 C ATOM 1927 C ASP A 123 -0.437 11.333 -13.497 1.00 0.00 C ATOM 1928 O ASP A 123 -1.392 11.732 -14.132 1.00 0.00 O ATOM 1929 CB ASP A 123 1.547 12.669 -14.214 1.00 0.00 C ATOM 1930 CG ASP A 123 3.016 12.454 -13.846 1.00 0.00 C ATOM 1931 OD1 ASP A 123 3.458 11.318 -13.892 1.00 0.00 O ATOM 1932 OD2 ASP A 123 3.675 13.430 -13.523 1.00 0.00 O ATOM 0 H ASP A 123 2.489 11.560 -12.193 1.00 0.00 H new ATOM 0 HA ASP A 123 0.204 13.185 -12.606 1.00 0.00 H new ATOM 0 HB2 ASP A 123 1.286 12.064 -15.083 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.378 13.710 -14.488 1.00 0.00 H new ATOM 1937 N PHE A 124 -0.307 10.075 -13.188 1.00 0.00 N ATOM 1938 CA PHE A 124 -1.340 9.089 -13.611 1.00 0.00 C ATOM 1939 C PHE A 124 -2.469 9.079 -12.591 1.00 0.00 C ATOM 1940 O PHE A 124 -3.635 9.181 -12.923 1.00 0.00 O ATOM 1941 CB PHE A 124 -0.709 7.704 -13.659 1.00 0.00 C ATOM 1942 CG PHE A 124 -1.790 6.653 -13.594 1.00 0.00 C ATOM 1943 CD1 PHE A 124 -2.718 6.528 -14.635 1.00 0.00 C ATOM 1944 CD2 PHE A 124 -1.863 5.806 -12.485 1.00 0.00 C ATOM 1945 CE1 PHE A 124 -3.719 5.551 -14.564 1.00 0.00 C ATOM 1946 CE2 PHE A 124 -2.863 4.830 -12.413 1.00 0.00 C ATOM 1947 CZ PHE A 124 -3.790 4.702 -13.452 1.00 0.00 C ATOM 0 H PHE A 124 0.473 9.685 -12.659 1.00 0.00 H new ATOM 0 HA PHE A 124 -1.729 9.359 -14.593 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -0.130 7.589 -14.575 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -0.016 7.580 -12.827 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -2.662 7.184 -15.491 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -1.147 5.905 -11.683 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -4.436 5.452 -15.366 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -2.919 4.176 -11.555 1.00 0.00 H new ATOM 0 HZ PHE A 124 -4.561 3.948 -13.397 1.00 0.00 H new ATOM 1957 N ILE A 125 -2.119 8.975 -11.349 1.00 0.00 N ATOM 1958 CA ILE A 125 -3.148 8.976 -10.277 1.00 0.00 C ATOM 1959 C ILE A 125 -3.612 10.410 -10.035 1.00 0.00 C ATOM 1960 O ILE A 125 -4.599 10.652 -9.370 1.00 0.00 O ATOM 1961 CB ILE A 125 -2.544 8.403 -8.996 1.00 0.00 C ATOM 1962 CG1 ILE A 125 -2.420 6.885 -9.133 1.00 0.00 C ATOM 1963 CG2 ILE A 125 -3.451 8.735 -7.809 1.00 0.00 C ATOM 1964 CD1 ILE A 125 -0.993 6.451 -8.797 1.00 0.00 C ATOM 0 H ILE A 125 -1.156 8.888 -11.023 1.00 0.00 H new ATOM 0 HA ILE A 125 -3.999 8.364 -10.576 1.00 0.00 H new ATOM 0 HB ILE A 125 -1.559 8.838 -8.830 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -3.127 6.391 -8.466 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -2.673 6.580 -10.148 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -3.019 8.326 -6.896 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -3.544 9.817 -7.713 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -4.437 8.299 -7.971 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -0.909 5.369 -8.896 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -0.295 6.933 -9.482 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -0.756 6.741 -7.773 1.00 0.00 H new ATOM 1976 N ARG A 126 -2.910 11.365 -10.580 1.00 0.00 N ATOM 1977 CA ARG A 126 -3.314 12.784 -10.392 1.00 0.00 C ATOM 1978 C ARG A 126 -4.499 13.087 -11.311 1.00 0.00 C ATOM 1979 O ARG A 126 -5.543 13.526 -10.871 1.00 0.00 O ATOM 1980 CB ARG A 126 -2.142 13.702 -10.745 1.00 0.00 C ATOM 1981 CG ARG A 126 -2.436 15.121 -10.257 1.00 0.00 C ATOM 1982 CD ARG A 126 -1.446 15.497 -9.152 1.00 0.00 C ATOM 1983 NE ARG A 126 -0.074 15.587 -9.726 1.00 0.00 N ATOM 1984 CZ ARG A 126 0.876 16.177 -9.052 1.00 0.00 C ATOM 1985 NH1 ARG A 126 0.624 16.686 -7.877 1.00 0.00 N ATOM 1986 NH2 ARG A 126 2.078 16.256 -9.554 1.00 0.00 N ATOM 0 H ARG A 126 -2.074 11.223 -11.147 1.00 0.00 H new ATOM 0 HA ARG A 126 -3.599 12.953 -9.354 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -1.226 13.331 -10.286 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -1.980 13.704 -11.823 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -2.357 15.825 -11.085 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -3.457 15.183 -9.881 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -1.728 16.450 -8.705 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -1.471 14.752 -8.357 1.00 0.00 H new ATOM 0 HE ARG A 126 0.123 15.188 -10.644 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -0.315 16.623 -7.485 1.00 0.00 H new ATOM 0 HH12 ARG A 126 1.367 17.147 -7.351 1.00 0.00 H new ATOM 0 HH21 ARG A 126 2.275 15.857 -10.472 1.00 0.00 H new ATOM 0 HH22 ARG A 126 2.821 16.717 -9.028 1.00 0.00 H new ATOM 2000 N SER A 127 -4.344 12.859 -12.588 1.00 0.00 N ATOM 2001 CA SER A 127 -5.461 13.137 -13.535 1.00 0.00 C ATOM 2002 C SER A 127 -6.620 12.180 -13.251 1.00 0.00 C ATOM 2003 O SER A 127 -7.741 12.409 -13.660 1.00 0.00 O ATOM 2004 CB SER A 127 -4.973 12.933 -14.970 1.00 0.00 C ATOM 2005 OG SER A 127 -5.243 14.106 -15.729 1.00 0.00 O ATOM 0 H SER A 127 -3.493 12.493 -13.015 1.00 0.00 H new ATOM 0 HA SER A 127 -5.799 14.165 -13.407 1.00 0.00 H new ATOM 0 HB2 SER A 127 -3.904 12.720 -14.976 1.00 0.00 H new ATOM 0 HB3 SER A 127 -5.472 12.073 -15.417 1.00 0.00 H new ATOM 0 HG SER A 127 -4.930 13.980 -16.649 1.00 0.00 H new ATOM 2011 N GLU A 128 -6.359 11.112 -12.549 1.00 0.00 N ATOM 2012 CA GLU A 128 -7.447 10.144 -12.237 1.00 0.00 C ATOM 2013 C GLU A 128 -8.199 10.611 -10.990 1.00 0.00 C ATOM 2014 O GLU A 128 -9.408 10.518 -10.909 1.00 0.00 O ATOM 2015 CB GLU A 128 -6.841 8.763 -11.983 1.00 0.00 C ATOM 2016 CG GLU A 128 -7.239 7.812 -13.114 1.00 0.00 C ATOM 2017 CD GLU A 128 -6.818 8.411 -14.458 1.00 0.00 C ATOM 2018 OE1 GLU A 128 -6.216 9.471 -14.449 1.00 0.00 O ATOM 2019 OE2 GLU A 128 -7.106 7.798 -15.473 1.00 0.00 O ATOM 0 H GLU A 128 -5.440 10.868 -12.178 1.00 0.00 H new ATOM 0 HA GLU A 128 -8.138 10.087 -13.078 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -5.755 8.837 -11.922 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -7.189 8.372 -11.027 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -6.763 6.842 -12.972 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -8.316 7.644 -13.100 1.00 0.00 H new ATOM 2026 N LEU A 129 -7.490 11.110 -10.013 1.00 0.00 N ATOM 2027 CA LEU A 129 -8.160 11.578 -8.767 1.00 0.00 C ATOM 2028 C LEU A 129 -8.769 12.962 -8.997 1.00 0.00 C ATOM 2029 O LEU A 129 -9.495 13.473 -8.170 1.00 0.00 O ATOM 2030 CB LEU A 129 -7.132 11.656 -7.637 1.00 0.00 C ATOM 2031 CG LEU A 129 -7.215 10.389 -6.784 1.00 0.00 C ATOM 2032 CD1 LEU A 129 -5.883 10.160 -6.067 1.00 0.00 C ATOM 2033 CD2 LEU A 129 -8.331 10.546 -5.747 1.00 0.00 C ATOM 0 H LEU A 129 -6.475 11.213 -10.025 1.00 0.00 H new ATOM 0 HA LEU A 129 -8.950 10.877 -8.496 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -6.129 11.764 -8.050 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -7.319 12.535 -7.021 1.00 0.00 H new ATOM 0 HG LEU A 129 -7.429 9.535 -7.427 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -5.947 9.256 -5.461 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -5.088 10.047 -6.804 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -5.664 11.013 -5.425 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -8.392 9.644 -5.138 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -8.115 11.402 -5.107 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -9.281 10.704 -6.257 1.00 0.00 H new ATOM 2045 N LYS A 130 -8.492 13.571 -10.118 1.00 0.00 N ATOM 2046 CA LYS A 130 -9.072 14.915 -10.392 1.00 0.00 C ATOM 2047 C LYS A 130 -10.433 14.740 -11.069 1.00 0.00 C ATOM 2048 O LYS A 130 -11.196 15.676 -11.207 1.00 0.00 O ATOM 2049 CB LYS A 130 -8.138 15.699 -11.318 1.00 0.00 C ATOM 2050 CG LYS A 130 -7.462 16.829 -10.537 1.00 0.00 C ATOM 2051 CD LYS A 130 -6.503 16.234 -9.503 1.00 0.00 C ATOM 2052 CE LYS A 130 -6.205 17.276 -8.423 1.00 0.00 C ATOM 2053 NZ LYS A 130 -4.769 17.191 -8.035 1.00 0.00 N ATOM 0 H LYS A 130 -7.891 13.197 -10.853 1.00 0.00 H new ATOM 0 HA LYS A 130 -9.191 15.462 -9.457 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -7.384 15.033 -11.738 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -8.702 16.110 -12.155 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -6.918 17.482 -11.219 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -8.214 17.442 -10.040 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -6.943 15.344 -9.053 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -5.578 15.922 -9.987 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -6.434 18.275 -8.793 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -6.839 17.105 -7.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -4.565 17.899 -7.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -4.565 16.240 -7.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -4.173 17.374 -8.867 1.00 0.00 H new