USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 614 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 31 CYS SG : rot 139:sc= 0.886 USER MOD Set 1.2: A 33 HIS : no HE2:sc= 0.518 K(o=1.4,f=-4.8!) USER MOD Set 2.1: A 5 TYR OH : rot 52:sc= 0.142 USER MOD Set 2.2: A 34 CYS SG : rot 120:sc= 0.227 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 74:sc= 0.0396 USER MOD Single : A 28 THR OG1 : rot 151:sc= 0.621 USER MOD Single : A 35 GLN : amide:sc= 0.827 K(o=0.83,f=-0.029) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 80:sc= 0.0258 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0198 USER MOD Single : A 53 HIS : no HE2:sc= -0.8 K(o=-0.8,f=-1.9!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.431 X(o=-0.43,f=-0.4) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 97:sc= 1.2 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 69 N TYR A 5 9.332 -2.727 6.331 1.00 0.00 N ATOM 70 CA TYR A 5 8.494 -3.761 5.709 1.00 0.00 C ATOM 71 C TYR A 5 8.419 -5.111 6.457 1.00 0.00 C ATOM 72 O TYR A 5 9.154 -5.339 7.421 1.00 0.00 O ATOM 73 CB TYR A 5 8.982 -3.957 4.261 1.00 0.00 C ATOM 74 CG TYR A 5 8.556 -2.875 3.301 1.00 0.00 C ATOM 75 CD1 TYR A 5 9.348 -1.730 3.106 1.00 0.00 C ATOM 76 CD2 TYR A 5 7.362 -3.034 2.579 1.00 0.00 C ATOM 77 CE1 TYR A 5 8.946 -0.752 2.178 1.00 0.00 C ATOM 78 CE2 TYR A 5 6.936 -2.044 1.674 1.00 0.00 C ATOM 79 CZ TYR A 5 7.739 -0.904 1.462 1.00 0.00 C ATOM 80 OH TYR A 5 7.380 0.020 0.528 1.00 0.00 O ATOM 0 HA TYR A 5 7.467 -3.397 5.749 1.00 0.00 H new ATOM 0 HB2 TYR A 5 10.071 -4.014 4.263 1.00 0.00 H new ATOM 0 HB3 TYR A 5 8.614 -4.915 3.894 1.00 0.00 H new ATOM 0 HD1 TYR A 5 10.262 -1.602 3.667 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.766 -3.923 2.719 1.00 0.00 H new ATOM 0 HE1 TYR A 5 9.563 0.119 2.013 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.001 -2.156 1.146 1.00 0.00 H new ATOM 0 HH TYR A 5 8.123 0.160 -0.096 1.00 0.00 H new ATOM 89 N SER A 6 7.540 -6.013 5.998 1.00 0.00 N ATOM 90 CA SER A 6 7.459 -7.395 6.499 1.00 0.00 C ATOM 91 C SER A 6 7.385 -8.462 5.390 1.00 0.00 C ATOM 92 O SER A 6 6.596 -8.360 4.444 1.00 0.00 O ATOM 93 CB SER A 6 6.248 -7.540 7.418 1.00 0.00 C ATOM 94 OG SER A 6 6.235 -8.814 8.053 1.00 0.00 O ATOM 0 H SER A 6 6.862 -5.805 5.265 1.00 0.00 H new ATOM 0 HA SER A 6 8.388 -7.574 7.041 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.265 -6.754 8.173 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.332 -7.408 6.841 1.00 0.00 H new ATOM 0 HG SER A 6 5.451 -8.880 8.637 1.00 0.00 H new ATOM 99 N ALA A 7 8.217 -9.508 5.494 1.00 0.00 N ATOM 100 CA ALA A 7 8.295 -10.605 4.520 1.00 0.00 C ATOM 101 C ALA A 7 7.215 -11.688 4.716 1.00 0.00 C ATOM 102 O ALA A 7 6.861 -12.386 3.765 1.00 0.00 O ATOM 103 CB ALA A 7 9.706 -11.197 4.618 1.00 0.00 C ATOM 0 H ALA A 7 8.867 -9.617 6.273 1.00 0.00 H new ATOM 0 HA ALA A 7 8.101 -10.207 3.524 1.00 0.00 H new ATOM 0 HB1 ALA A 7 9.806 -12.018 3.908 1.00 0.00 H new ATOM 0 HB2 ALA A 7 10.441 -10.426 4.387 1.00 0.00 H new ATOM 0 HB3 ALA A 7 9.875 -11.569 5.629 1.00 0.00 H new ATOM 109 N GLU A 8 6.671 -11.809 5.929 1.00 0.00 N ATOM 110 CA GLU A 8 5.676 -12.815 6.320 1.00 0.00 C ATOM 111 C GLU A 8 4.227 -12.347 6.066 1.00 0.00 C ATOM 112 O GLU A 8 3.317 -12.572 6.866 1.00 0.00 O ATOM 113 CB GLU A 8 5.943 -13.293 7.761 1.00 0.00 C ATOM 114 CG GLU A 8 5.945 -12.184 8.826 1.00 0.00 C ATOM 115 CD GLU A 8 6.120 -12.773 10.239 1.00 0.00 C ATOM 116 OE1 GLU A 8 7.276 -13.064 10.640 1.00 0.00 O ATOM 117 OE2 GLU A 8 5.110 -12.949 10.959 1.00 0.00 O ATOM 0 H GLU A 8 6.920 -11.186 6.697 1.00 0.00 H new ATOM 0 HA GLU A 8 5.788 -13.685 5.673 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.187 -14.031 8.029 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.907 -13.801 7.786 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.750 -11.479 8.620 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.011 -11.625 8.775 1.00 0.00 H new ATOM 122 N ALA A 9 4.004 -11.689 4.928 1.00 0.00 N ATOM 123 CA ALA A 9 2.688 -11.209 4.498 1.00 0.00 C ATOM 124 C ALA A 9 1.678 -12.353 4.244 1.00 0.00 C ATOM 125 O ALA A 9 2.093 -13.475 3.923 1.00 0.00 O ATOM 126 CB ALA A 9 2.850 -10.348 3.242 1.00 0.00 C ATOM 0 H ALA A 9 4.748 -11.470 4.265 1.00 0.00 H new ATOM 0 HA ALA A 9 2.274 -10.614 5.312 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.873 -9.989 2.919 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.494 -9.497 3.465 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.298 -10.944 2.447 1.00 0.00 H new ATOM 132 N PRO A 10 0.363 -12.075 4.350 1.00 0.00 N ATOM 133 CA PRO A 10 -0.704 -13.023 4.054 1.00 0.00 C ATOM 134 C PRO A 10 -0.810 -13.352 2.563 1.00 0.00 C ATOM 135 O PRO A 10 -0.353 -12.596 1.706 1.00 0.00 O ATOM 136 CB PRO A 10 -1.993 -12.347 4.547 1.00 0.00 C ATOM 137 CG PRO A 10 -1.677 -10.862 4.378 1.00 0.00 C ATOM 138 CD PRO A 10 -0.215 -10.809 4.790 1.00 0.00 C ATOM 0 HA PRO A 10 -0.512 -13.977 4.545 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.859 -12.647 3.957 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.212 -12.599 5.585 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.825 -10.526 3.352 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.304 -10.235 5.012 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.293 -9.964 4.325 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.116 -10.687 5.869 1.00 0.00 H new ATOM 143 N ALA A 11 -1.477 -14.469 2.255 1.00 0.00 N ATOM 144 CA ALA A 11 -1.971 -14.767 0.907 1.00 0.00 C ATOM 145 C ALA A 11 -3.232 -13.940 0.597 1.00 0.00 C ATOM 146 O ALA A 11 -3.989 -13.582 1.503 1.00 0.00 O ATOM 147 CB ALA A 11 -2.239 -16.277 0.804 1.00 0.00 C ATOM 0 H ALA A 11 -1.690 -15.196 2.938 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.222 -14.491 0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.607 -16.514 -0.194 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.315 -16.824 0.989 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.985 -16.565 1.544 1.00 0.00 H new ATOM 153 N ARG A 12 -3.507 -13.663 -0.688 1.00 0.00 N ATOM 154 CA ARG A 12 -4.610 -12.766 -1.070 1.00 0.00 C ATOM 155 C ARG A 12 -5.993 -13.302 -0.662 1.00 0.00 C ATOM 156 O ARG A 12 -6.881 -12.516 -0.347 1.00 0.00 O ATOM 157 CB ARG A 12 -4.524 -12.438 -2.573 1.00 0.00 C ATOM 158 CG ARG A 12 -5.320 -11.162 -2.906 1.00 0.00 C ATOM 159 CD ARG A 12 -5.141 -10.748 -4.373 1.00 0.00 C ATOM 160 NE ARG A 12 -5.922 -9.534 -4.665 1.00 0.00 N ATOM 161 CZ ARG A 12 -6.263 -9.061 -5.859 1.00 0.00 C ATOM 162 NH1 ARG A 12 -5.872 -9.625 -6.977 1.00 0.00 N ATOM 163 NH2 ARG A 12 -7.027 -7.992 -5.947 1.00 0.00 N ATOM 0 H ARG A 12 -2.984 -14.045 -1.476 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.493 -11.839 -0.509 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.481 -12.306 -2.861 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.912 -13.275 -3.154 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.378 -11.329 -2.701 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.994 -10.350 -2.256 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.086 -10.568 -4.580 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.460 -11.559 -5.028 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.237 -8.995 -3.859 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.284 -10.458 -6.950 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.156 -9.230 -7.874 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.356 -7.529 -5.100 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.290 -7.627 -6.862 1.00 0.00 H new ATOM 174 N ASP A 13 -6.179 -14.623 -0.569 1.00 0.00 N ATOM 175 CA ASP A 13 -7.415 -15.224 -0.040 1.00 0.00 C ATOM 176 C ASP A 13 -7.583 -15.010 1.478 1.00 0.00 C ATOM 177 O ASP A 13 -8.705 -14.910 1.959 1.00 0.00 O ATOM 178 CB ASP A 13 -7.446 -16.731 -0.350 1.00 0.00 C ATOM 179 CG ASP A 13 -8.805 -17.371 0.002 1.00 0.00 C ATOM 180 OD1 ASP A 13 -9.840 -16.936 -0.551 1.00 0.00 O ATOM 181 OD2 ASP A 13 -8.837 -18.300 0.840 1.00 0.00 O ATOM 0 H ASP A 13 -5.480 -15.308 -0.857 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.245 -14.719 -0.535 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.236 -16.887 -1.408 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.655 -17.231 0.209 1.00 0.00 H new ATOM 185 N GLU A 14 -6.493 -14.895 2.241 1.00 0.00 N ATOM 186 CA GLU A 14 -6.556 -14.555 3.666 1.00 0.00 C ATOM 187 C GLU A 14 -6.779 -13.040 3.869 1.00 0.00 C ATOM 188 O GLU A 14 -7.373 -12.616 4.867 1.00 0.00 O ATOM 189 CB GLU A 14 -5.285 -15.065 4.372 1.00 0.00 C ATOM 190 CG GLU A 14 -5.364 -14.938 5.896 1.00 0.00 C ATOM 191 CD GLU A 14 -4.235 -15.717 6.581 1.00 0.00 C ATOM 192 OE1 GLU A 14 -3.104 -15.192 6.682 1.00 0.00 O ATOM 193 OE2 GLU A 14 -4.479 -16.856 7.044 1.00 0.00 O ATOM 0 H GLU A 14 -5.545 -15.034 1.891 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.414 -15.051 4.119 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.121 -16.109 4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.423 -14.505 4.009 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.306 -13.887 6.179 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.328 -15.309 6.244 1.00 0.00 H new ATOM 198 N LEU A 15 -6.356 -12.223 2.900 1.00 0.00 N ATOM 199 CA LEU A 15 -6.569 -10.776 2.835 1.00 0.00 C ATOM 200 C LEU A 15 -8.019 -10.440 2.443 1.00 0.00 C ATOM 201 O LEU A 15 -8.595 -9.498 2.976 1.00 0.00 O ATOM 202 CB LEU A 15 -5.498 -10.224 1.869 1.00 0.00 C ATOM 203 CG LEU A 15 -5.181 -8.727 2.041 1.00 0.00 C ATOM 204 CD1 LEU A 15 -3.732 -8.442 1.616 1.00 0.00 C ATOM 205 CD2 LEU A 15 -6.107 -7.836 1.203 1.00 0.00 C ATOM 0 H LEU A 15 -5.829 -12.572 2.099 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.449 -10.296 3.806 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.579 -10.793 2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.830 -10.395 0.845 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.332 -8.495 3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.518 -7.381 1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.050 -9.025 2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.599 -8.718 0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.844 -6.790 1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.995 -8.085 0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.141 -7.999 1.507 1.00 0.00 H new ATOM 216 N ASP A 16 -8.656 -11.260 1.609 1.00 0.00 N ATOM 217 CA ASP A 16 -10.083 -11.205 1.247 1.00 0.00 C ATOM 218 C ASP A 16 -11.036 -11.307 2.453 1.00 0.00 C ATOM 219 O ASP A 16 -12.187 -10.875 2.365 1.00 0.00 O ATOM 220 CB ASP A 16 -10.356 -12.314 0.212 1.00 0.00 C ATOM 221 CG ASP A 16 -11.836 -12.447 -0.179 1.00 0.00 C ATOM 222 OD1 ASP A 16 -12.306 -11.674 -1.041 1.00 0.00 O ATOM 223 OD2 ASP A 16 -12.510 -13.363 0.350 1.00 0.00 O ATOM 0 H ASP A 16 -8.170 -12.024 1.139 1.00 0.00 H new ATOM 0 HA ASP A 16 -10.289 -10.223 0.821 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.770 -12.113 -0.685 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -10.009 -13.266 0.613 1.00 0.00 H new ATOM 227 N ARG A 17 -10.555 -11.811 3.601 1.00 0.00 N ATOM 228 CA ARG A 17 -11.302 -11.842 4.864 1.00 0.00 C ATOM 229 C ARG A 17 -11.454 -10.449 5.505 1.00 0.00 C ATOM 230 O ARG A 17 -12.208 -10.309 6.473 1.00 0.00 O ATOM 231 CB ARG A 17 -10.615 -12.794 5.858 1.00 0.00 C ATOM 232 CG ARG A 17 -10.383 -14.222 5.333 1.00 0.00 C ATOM 233 CD ARG A 17 -11.656 -14.971 4.893 1.00 0.00 C ATOM 234 NE ARG A 17 -11.316 -16.356 4.502 1.00 0.00 N ATOM 235 CZ ARG A 17 -11.049 -16.798 3.276 1.00 0.00 C ATOM 236 NH1 ARG A 17 -11.334 -16.120 2.184 1.00 0.00 N ATOM 237 NH2 ARG A 17 -10.461 -17.962 3.132 1.00 0.00 N ATOM 0 H ARG A 17 -9.621 -12.214 3.676 1.00 0.00 H new ATOM 0 HA ARG A 17 -12.304 -12.200 4.628 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.654 -12.367 6.143 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.220 -12.849 6.763 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.697 -14.175 4.487 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.889 -14.803 6.112 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.382 -14.981 5.706 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.123 -14.452 4.056 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.283 -17.046 5.252 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.783 -15.207 2.253 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.106 -16.508 1.269 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.215 -18.514 3.954 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.250 -18.315 2.199 1.00 0.00 H new ATOM 248 N LEU A 18 -10.719 -9.434 5.016 1.00 0.00 N ATOM 249 CA LEU A 18 -10.816 -8.043 5.504 1.00 0.00 C ATOM 250 C LEU A 18 -12.207 -7.404 5.330 1.00 0.00 C ATOM 251 O LEU A 18 -13.076 -7.929 4.628 1.00 0.00 O ATOM 252 CB LEU A 18 -9.724 -7.171 4.834 1.00 0.00 C ATOM 253 CG LEU A 18 -8.329 -7.264 5.486 1.00 0.00 C ATOM 254 CD1 LEU A 18 -7.306 -6.580 4.573 1.00 0.00 C ATOM 255 CD2 LEU A 18 -8.324 -6.562 6.856 1.00 0.00 C ATOM 0 H LEU A 18 -10.037 -9.555 4.267 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.653 -8.087 6.581 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.640 -7.461 3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.049 -6.131 4.852 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.074 -8.315 5.626 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.316 -6.641 5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.293 -7.078 3.604 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.580 -5.534 4.439 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.332 -6.638 7.300 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.584 -5.511 6.727 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.053 -7.039 7.512 1.00 0.00 H new ATOM 266 N ALA A 19 -12.400 -6.236 5.950 1.00 0.00 N ATOM 267 CA ALA A 19 -13.641 -5.456 5.911 1.00 0.00 C ATOM 268 C ALA A 19 -13.420 -3.931 5.862 1.00 0.00 C ATOM 269 O ALA A 19 -14.061 -3.250 5.064 1.00 0.00 O ATOM 270 CB ALA A 19 -14.497 -5.866 7.116 1.00 0.00 C ATOM 0 H ALA A 19 -11.673 -5.793 6.511 1.00 0.00 H new ATOM 0 HA ALA A 19 -14.157 -5.683 4.978 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.428 -5.299 7.111 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.720 -6.931 7.058 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -13.952 -5.659 8.037 1.00 0.00 H new ATOM 276 N GLY A 20 -12.521 -3.381 6.686 1.00 0.00 N ATOM 277 CA GLY A 20 -12.281 -1.931 6.790 1.00 0.00 C ATOM 278 C GLY A 20 -11.371 -1.370 5.682 1.00 0.00 C ATOM 279 O GLY A 20 -10.790 -2.157 4.925 1.00 0.00 O ATOM 0 H GLY A 20 -11.931 -3.934 7.308 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.238 -1.411 6.759 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.832 -1.715 7.760 1.00 0.00 H new ATOM 283 N PRO A 21 -11.228 -0.033 5.583 1.00 0.00 N ATOM 284 CA PRO A 21 -10.365 0.609 4.604 1.00 0.00 C ATOM 285 C PRO A 21 -8.900 0.252 4.893 1.00 0.00 C ATOM 286 O PRO A 21 -8.368 0.547 5.966 1.00 0.00 O ATOM 287 CB PRO A 21 -10.654 2.111 4.709 1.00 0.00 C ATOM 288 CG PRO A 21 -11.147 2.292 6.143 1.00 0.00 C ATOM 289 CD PRO A 21 -11.867 0.974 6.428 1.00 0.00 C ATOM 0 HA PRO A 21 -10.554 0.274 3.584 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.760 2.704 4.516 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.407 2.424 3.985 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -10.322 2.459 6.835 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.818 3.146 6.234 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.785 0.706 7.481 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.930 1.055 6.201 1.00 0.00 H new ATOM 294 N THR A 22 -8.272 -0.425 3.927 1.00 0.00 N ATOM 295 CA THR A 22 -6.901 -0.945 4.014 1.00 0.00 C ATOM 296 C THR A 22 -6.103 -0.520 2.786 1.00 0.00 C ATOM 297 O THR A 22 -6.656 -0.292 1.714 1.00 0.00 O ATOM 298 CB THR A 22 -6.933 -2.476 4.174 1.00 0.00 C ATOM 299 OG1 THR A 22 -7.611 -2.784 5.374 1.00 0.00 O ATOM 300 CG2 THR A 22 -5.559 -3.142 4.251 1.00 0.00 C ATOM 0 H THR A 22 -8.717 -0.634 3.033 1.00 0.00 H new ATOM 0 HA THR A 22 -6.405 -0.528 4.890 1.00 0.00 H new ATOM 0 HB THR A 22 -7.426 -2.858 3.280 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.572 -2.633 5.255 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.683 -4.219 4.363 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.002 -2.934 3.338 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.011 -2.749 5.107 1.00 0.00 H new ATOM 308 N LEU A 23 -4.784 -0.429 2.917 1.00 0.00 N ATOM 309 CA LEU A 23 -3.844 -0.223 1.823 1.00 0.00 C ATOM 310 C LEU A 23 -2.748 -1.289 1.886 1.00 0.00 C ATOM 311 O LEU A 23 -2.120 -1.459 2.926 1.00 0.00 O ATOM 312 CB LEU A 23 -3.266 1.199 1.939 1.00 0.00 C ATOM 313 CG LEU A 23 -2.300 1.576 0.798 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.958 1.386 -0.563 1.00 0.00 C ATOM 315 CD2 LEU A 23 -1.816 3.003 0.987 1.00 0.00 C ATOM 0 H LEU A 23 -4.323 -0.500 3.824 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.341 -0.318 0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.088 1.914 1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.742 1.291 2.891 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.437 0.911 0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.254 1.659 -1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.249 0.343 -0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.842 2.020 -0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.134 3.266 0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.669 3.681 0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.297 3.088 1.942 1.00 0.00 H new ATOM 326 N VAL A 24 -2.506 -1.990 0.783 1.00 0.00 N ATOM 327 CA VAL A 24 -1.460 -3.022 0.665 1.00 0.00 C ATOM 328 C VAL A 24 -0.325 -2.473 -0.191 1.00 0.00 C ATOM 329 O VAL A 24 -0.536 -2.194 -1.364 1.00 0.00 O ATOM 330 CB VAL A 24 -2.024 -4.325 0.055 1.00 0.00 C ATOM 331 CG1 VAL A 24 -0.986 -5.461 0.095 1.00 0.00 C ATOM 332 CG2 VAL A 24 -3.297 -4.803 0.768 1.00 0.00 C ATOM 0 H VAL A 24 -3.039 -1.860 -0.077 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.086 -3.268 1.659 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.270 -4.084 -0.979 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.416 -6.362 -0.342 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.103 -5.168 -0.474 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.702 -5.659 1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.653 -5.721 0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.076 -4.992 1.819 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.067 -4.035 0.691 1.00 0.00 H new ATOM 342 N GLU A 25 0.848 -2.287 0.413 1.00 0.00 N ATOM 343 CA GLU A 25 2.044 -1.694 -0.192 1.00 0.00 C ATOM 344 C GLU A 25 3.111 -2.753 -0.493 1.00 0.00 C ATOM 345 O GLU A 25 3.537 -3.484 0.407 1.00 0.00 O ATOM 346 CB GLU A 25 2.602 -0.601 0.743 1.00 0.00 C ATOM 347 CG GLU A 25 3.857 0.120 0.234 1.00 0.00 C ATOM 348 CD GLU A 25 4.466 1.104 1.250 1.00 0.00 C ATOM 349 OE1 GLU A 25 4.769 0.701 2.397 1.00 0.00 O ATOM 350 OE2 GLU A 25 4.693 2.279 0.885 1.00 0.00 O ATOM 0 H GLU A 25 0.999 -2.558 1.385 1.00 0.00 H new ATOM 0 HA GLU A 25 1.764 -1.246 -1.145 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.822 0.140 0.914 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.829 -1.053 1.708 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.608 -0.623 -0.032 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.608 0.662 -0.678 1.00 0.00 H new ATOM 355 N PHE A 26 3.575 -2.797 -1.743 1.00 0.00 N ATOM 356 CA PHE A 26 4.650 -3.680 -2.210 1.00 0.00 C ATOM 357 C PHE A 26 5.954 -2.883 -2.351 1.00 0.00 C ATOM 358 O PHE A 26 6.012 -1.881 -3.074 1.00 0.00 O ATOM 359 CB PHE A 26 4.246 -4.327 -3.550 1.00 0.00 C ATOM 360 CG PHE A 26 2.810 -4.813 -3.598 1.00 0.00 C ATOM 361 CD1 PHE A 26 2.377 -5.860 -2.769 1.00 0.00 C ATOM 362 CD2 PHE A 26 1.881 -4.163 -4.432 1.00 0.00 C ATOM 363 CE1 PHE A 26 1.015 -6.220 -2.741 1.00 0.00 C ATOM 364 CE2 PHE A 26 0.530 -4.547 -4.425 1.00 0.00 C ATOM 365 CZ PHE A 26 0.091 -5.560 -3.562 1.00 0.00 C ATOM 0 H PHE A 26 3.203 -2.201 -2.483 1.00 0.00 H new ATOM 0 HA PHE A 26 4.814 -4.474 -1.482 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.400 -3.604 -4.351 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.909 -5.169 -3.749 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.088 -6.390 -2.152 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.209 -3.364 -5.081 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.681 -7.009 -2.083 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.172 -4.061 -5.086 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.954 -5.831 -3.530 1.00 0.00 H new ATOM 374 N GLY A 27 7.002 -3.326 -1.656 1.00 0.00 N ATOM 375 CA GLY A 27 8.308 -2.668 -1.647 1.00 0.00 C ATOM 376 C GLY A 27 9.357 -3.402 -0.814 1.00 0.00 C ATOM 377 O GLY A 27 9.174 -4.573 -0.492 1.00 0.00 O ATOM 0 H GLY A 27 6.967 -4.164 -1.075 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.668 -2.579 -2.672 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.193 -1.655 -1.260 1.00 0.00 H new ATOM 381 N THR A 28 10.450 -2.718 -0.468 1.00 0.00 N ATOM 382 CA THR A 28 11.512 -3.160 0.445 1.00 0.00 C ATOM 383 C THR A 28 12.101 -1.955 1.164 1.00 0.00 C ATOM 384 O THR A 28 11.800 -0.808 0.841 1.00 0.00 O ATOM 385 CB THR A 28 12.626 -3.934 -0.283 1.00 0.00 C ATOM 386 OG1 THR A 28 13.181 -3.124 -1.296 1.00 0.00 O ATOM 387 CG2 THR A 28 12.153 -5.265 -0.863 1.00 0.00 C ATOM 0 H THR A 28 10.630 -1.785 -0.839 1.00 0.00 H new ATOM 0 HA THR A 28 11.063 -3.844 1.166 1.00 0.00 H new ATOM 0 HB THR A 28 13.386 -4.178 0.459 1.00 0.00 H new ATOM 0 HG1 THR A 28 14.118 -3.373 -1.437 1.00 0.00 H new ATOM 0 HG21 THR A 28 12.985 -5.761 -1.363 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.782 -5.901 -0.059 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.354 -5.085 -1.582 1.00 0.00 H new ATOM 395 N ASP A 29 12.961 -2.191 2.152 1.00 0.00 N ATOM 396 CA ASP A 29 13.634 -1.125 2.907 1.00 0.00 C ATOM 397 C ASP A 29 14.808 -0.503 2.126 1.00 0.00 C ATOM 398 O ASP A 29 15.382 0.492 2.578 1.00 0.00 O ATOM 399 CB ASP A 29 14.079 -1.685 4.267 1.00 0.00 C ATOM 400 CG ASP A 29 15.093 -2.832 4.139 1.00 0.00 C ATOM 401 OD1 ASP A 29 14.660 -3.972 3.852 1.00 0.00 O ATOM 402 OD2 ASP A 29 16.309 -2.592 4.335 1.00 0.00 O ATOM 0 H ASP A 29 13.215 -3.131 2.457 1.00 0.00 H new ATOM 0 HA ASP A 29 12.929 -0.310 3.068 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.519 -0.882 4.858 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.204 -2.039 4.812 1.00 0.00 H new ATOM 406 N TRP A 30 15.148 -1.067 0.962 1.00 0.00 N ATOM 407 CA TRP A 30 16.392 -0.807 0.237 1.00 0.00 C ATOM 408 C TRP A 30 16.239 -0.362 -1.233 1.00 0.00 C ATOM 409 O TRP A 30 17.192 0.208 -1.770 1.00 0.00 O ATOM 410 CB TRP A 30 17.268 -2.066 0.363 1.00 0.00 C ATOM 411 CG TRP A 30 16.661 -3.376 -0.036 1.00 0.00 C ATOM 412 CD1 TRP A 30 16.261 -4.348 0.818 1.00 0.00 C ATOM 413 CD2 TRP A 30 16.437 -3.917 -1.374 1.00 0.00 C ATOM 414 NE1 TRP A 30 15.774 -5.425 0.107 1.00 0.00 N ATOM 415 CE2 TRP A 30 15.838 -5.208 -1.253 1.00 0.00 C ATOM 416 CE3 TRP A 30 16.674 -3.444 -2.679 1.00 0.00 C ATOM 417 CZ2 TRP A 30 15.457 -5.966 -2.368 1.00 0.00 C ATOM 418 CZ3 TRP A 30 16.303 -4.196 -3.806 1.00 0.00 C ATOM 419 CH2 TRP A 30 15.683 -5.447 -3.657 1.00 0.00 C ATOM 0 H TRP A 30 14.545 -1.737 0.485 1.00 0.00 H new ATOM 0 HA TRP A 30 16.859 0.063 0.698 1.00 0.00 H new ATOM 0 HB2 TRP A 30 18.164 -1.914 -0.239 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.591 -2.148 1.401 1.00 0.00 H new ATOM 0 HD1 TRP A 30 16.315 -4.289 1.895 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.411 -6.277 0.535 1.00 0.00 H new ATOM 0 HE3 TRP A 30 17.150 -2.484 -2.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 14.997 -6.935 -2.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 16.496 -3.809 -4.795 1.00 0.00 H new ATOM 0 HH2 TRP A 30 15.381 -6.009 -4.528 1.00 0.00 H new ATOM 429 N CYS A 31 15.089 -0.561 -1.892 1.00 0.00 N ATOM 430 CA CYS A 31 14.884 -0.085 -3.272 1.00 0.00 C ATOM 431 C CYS A 31 14.860 1.455 -3.339 1.00 0.00 C ATOM 432 O CYS A 31 14.274 2.107 -2.466 1.00 0.00 O ATOM 433 CB CYS A 31 13.605 -0.687 -3.863 1.00 0.00 C ATOM 434 SG CYS A 31 13.345 -0.068 -5.565 1.00 0.00 S ATOM 0 H CYS A 31 14.286 -1.048 -1.494 1.00 0.00 H new ATOM 0 HA CYS A 31 15.728 -0.421 -3.874 1.00 0.00 H new ATOM 0 HB2 CYS A 31 13.676 -1.775 -3.870 1.00 0.00 H new ATOM 0 HB3 CYS A 31 12.750 -0.427 -3.239 1.00 0.00 H new ATOM 0 HG CYS A 31 12.936 -1.042 -6.323 1.00 0.00 H new ATOM 439 N GLY A 32 15.466 2.035 -4.381 1.00 0.00 N ATOM 440 CA GLY A 32 15.487 3.483 -4.635 1.00 0.00 C ATOM 441 C GLY A 32 14.115 4.055 -5.003 1.00 0.00 C ATOM 442 O GLY A 32 13.875 5.238 -4.764 1.00 0.00 O ATOM 0 H GLY A 32 15.968 1.499 -5.089 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.860 3.995 -3.748 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.189 3.693 -5.442 1.00 0.00 H new ATOM 446 N HIS A 33 13.182 3.240 -5.510 1.00 0.00 N ATOM 447 CA HIS A 33 11.780 3.654 -5.612 1.00 0.00 C ATOM 448 C HIS A 33 11.162 3.806 -4.211 1.00 0.00 C ATOM 449 O HIS A 33 10.511 4.808 -3.900 1.00 0.00 O ATOM 450 CB HIS A 33 10.965 2.608 -6.378 1.00 0.00 C ATOM 451 CG HIS A 33 11.443 2.235 -7.753 1.00 0.00 C ATOM 452 ND1 HIS A 33 11.861 0.985 -8.141 1.00 0.00 N ATOM 453 CD2 HIS A 33 11.332 2.992 -8.888 1.00 0.00 C ATOM 454 CE1 HIS A 33 11.957 0.975 -9.480 1.00 0.00 C ATOM 455 NE2 HIS A 33 11.660 2.185 -9.989 1.00 0.00 N ATOM 0 H HIS A 33 13.371 2.298 -5.853 1.00 0.00 H new ATOM 0 HA HIS A 33 11.755 4.607 -6.140 1.00 0.00 H new ATOM 0 HB2 HIS A 33 10.929 1.700 -5.775 1.00 0.00 H new ATOM 0 HB3 HIS A 33 9.942 2.974 -6.464 1.00 0.00 H new ATOM 0 HD1 HIS A 33 12.063 0.201 -7.520 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.042 4.031 -8.929 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.235 0.113 -10.069 1.00 0.00 H new ATOM 463 N CYS A 34 11.409 2.823 -3.345 1.00 0.00 N ATOM 464 CA CYS A 34 10.916 2.817 -1.975 1.00 0.00 C ATOM 465 C CYS A 34 11.424 3.997 -1.156 1.00 0.00 C ATOM 466 O CYS A 34 10.648 4.563 -0.398 1.00 0.00 O ATOM 467 CB CYS A 34 11.299 1.491 -1.323 1.00 0.00 C ATOM 468 SG CYS A 34 10.062 0.270 -1.821 1.00 0.00 S ATOM 0 H CYS A 34 11.964 2.001 -3.582 1.00 0.00 H new ATOM 0 HA CYS A 34 9.832 2.923 -2.003 1.00 0.00 H new ATOM 0 HB2 CYS A 34 12.295 1.180 -1.640 1.00 0.00 H new ATOM 0 HB3 CYS A 34 11.326 1.590 -0.238 1.00 0.00 H new ATOM 0 HG CYS A 34 10.643 -0.699 -2.464 1.00 0.00 H new ATOM 473 N GLN A 35 12.674 4.412 -1.342 1.00 0.00 N ATOM 474 CA GLN A 35 13.232 5.532 -0.573 1.00 0.00 C ATOM 475 C GLN A 35 12.511 6.859 -0.860 1.00 0.00 C ATOM 476 O GLN A 35 12.535 7.769 -0.032 1.00 0.00 O ATOM 477 CB GLN A 35 14.723 5.729 -0.885 1.00 0.00 C ATOM 478 CG GLN A 35 15.622 4.509 -0.695 1.00 0.00 C ATOM 479 CD GLN A 35 15.373 3.696 0.570 1.00 0.00 C ATOM 480 OE1 GLN A 35 15.525 4.152 1.694 1.00 0.00 O ATOM 481 NE2 GLN A 35 14.978 2.445 0.420 1.00 0.00 N ATOM 0 H GLN A 35 13.320 3.996 -2.013 1.00 0.00 H new ATOM 0 HA GLN A 35 13.092 5.269 0.476 1.00 0.00 H new ATOM 0 HB2 GLN A 35 14.815 6.064 -1.918 1.00 0.00 H new ATOM 0 HB3 GLN A 35 15.101 6.534 -0.254 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.500 3.853 -1.557 1.00 0.00 H new ATOM 0 HG3 GLN A 35 16.660 4.842 -0.693 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.850 2.059 -0.516 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.801 1.864 1.240 1.00 0.00 H new ATOM 488 N ALA A 36 11.863 6.964 -2.024 1.00 0.00 N ATOM 489 CA ALA A 36 11.047 8.099 -2.442 1.00 0.00 C ATOM 490 C ALA A 36 9.565 7.928 -2.053 1.00 0.00 C ATOM 491 O ALA A 36 8.929 8.905 -1.647 1.00 0.00 O ATOM 492 CB ALA A 36 11.207 8.249 -3.961 1.00 0.00 C ATOM 0 H ALA A 36 11.897 6.227 -2.728 1.00 0.00 H new ATOM 0 HA ALA A 36 11.386 8.999 -1.929 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.608 9.091 -4.309 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.256 8.426 -4.201 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.871 7.337 -4.454 1.00 0.00 H new ATOM 498 N ALA A 37 9.010 6.717 -2.166 1.00 0.00 N ATOM 499 CA ALA A 37 7.590 6.450 -1.918 1.00 0.00 C ATOM 500 C ALA A 37 7.269 6.261 -0.426 1.00 0.00 C ATOM 501 O ALA A 37 6.193 6.648 0.024 1.00 0.00 O ATOM 502 CB ALA A 37 7.155 5.231 -2.742 1.00 0.00 C ATOM 0 H ALA A 37 9.539 5.887 -2.435 1.00 0.00 H new ATOM 0 HA ALA A 37 7.023 7.326 -2.233 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.099 5.028 -2.561 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.309 5.434 -3.802 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.747 4.364 -2.449 1.00 0.00 H new ATOM 508 N GLN A 38 8.197 5.729 0.372 1.00 0.00 N ATOM 509 CA GLN A 38 8.013 5.562 1.819 1.00 0.00 C ATOM 510 C GLN A 38 7.758 6.887 2.567 1.00 0.00 C ATOM 511 O GLN A 38 6.742 6.970 3.259 1.00 0.00 O ATOM 512 CB GLN A 38 9.209 4.815 2.418 1.00 0.00 C ATOM 513 CG GLN A 38 9.140 3.290 2.206 1.00 0.00 C ATOM 514 CD GLN A 38 8.989 2.538 3.530 1.00 0.00 C ATOM 515 OE1 GLN A 38 9.910 2.483 4.340 1.00 0.00 O ATOM 516 NE2 GLN A 38 7.846 1.964 3.832 1.00 0.00 N ATOM 0 H GLN A 38 9.101 5.400 0.034 1.00 0.00 H new ATOM 0 HA GLN A 38 7.108 4.969 1.953 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.128 5.196 1.972 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.262 5.025 3.486 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.299 3.051 1.555 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.043 2.953 1.697 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.068 1.998 3.173 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.737 1.484 4.725 1.00 0.00 H new ATOM 523 N PRO A 39 8.594 7.941 2.421 1.00 0.00 N ATOM 524 CA PRO A 39 8.305 9.243 3.021 1.00 0.00 C ATOM 525 C PRO A 39 7.104 9.935 2.358 1.00 0.00 C ATOM 526 O PRO A 39 6.513 10.822 2.972 1.00 0.00 O ATOM 527 CB PRO A 39 9.588 10.060 2.879 1.00 0.00 C ATOM 528 CG PRO A 39 10.225 9.481 1.622 1.00 0.00 C ATOM 529 CD PRO A 39 9.863 8.000 1.712 1.00 0.00 C ATOM 0 HA PRO A 39 8.019 9.137 4.067 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.379 11.124 2.772 1.00 0.00 H new ATOM 0 HB3 PRO A 39 10.236 9.948 3.748 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.826 9.941 0.718 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.304 9.634 1.608 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.776 7.558 0.719 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.633 7.441 2.243 1.00 0.00 H new ATOM 534 N LEU A 40 6.693 9.512 1.155 1.00 0.00 N ATOM 535 CA LEU A 40 5.474 9.992 0.503 1.00 0.00 C ATOM 536 C LEU A 40 4.252 9.515 1.288 1.00 0.00 C ATOM 537 O LEU A 40 3.471 10.344 1.762 1.00 0.00 O ATOM 538 CB LEU A 40 5.405 9.477 -0.947 1.00 0.00 C ATOM 539 CG LEU A 40 4.991 10.476 -2.031 1.00 0.00 C ATOM 540 CD1 LEU A 40 3.775 11.308 -1.621 1.00 0.00 C ATOM 541 CD2 LEU A 40 6.156 11.384 -2.452 1.00 0.00 C ATOM 0 H LEU A 40 7.204 8.821 0.605 1.00 0.00 H new ATOM 0 HA LEU A 40 5.486 11.082 0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.386 9.081 -1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.706 8.641 -0.975 1.00 0.00 H new ATOM 0 HG LEU A 40 4.703 9.880 -2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.521 12.001 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.929 10.647 -1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.007 11.870 -0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.817 12.077 -3.223 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.509 11.947 -1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.969 10.774 -2.845 1.00 0.00 H new ATOM 552 N LEU A 41 4.139 8.187 1.474 1.00 0.00 N ATOM 553 CA LEU A 41 3.091 7.560 2.270 1.00 0.00 C ATOM 554 C LEU A 41 3.087 8.188 3.659 1.00 0.00 C ATOM 555 O LEU A 41 2.051 8.662 4.102 1.00 0.00 O ATOM 556 CB LEU A 41 3.232 6.018 2.340 1.00 0.00 C ATOM 557 CG LEU A 41 2.507 5.221 1.226 1.00 0.00 C ATOM 558 CD1 LEU A 41 1.031 5.591 1.063 1.00 0.00 C ATOM 559 CD2 LEU A 41 3.283 5.319 -0.087 1.00 0.00 C ATOM 0 H LEU A 41 4.789 7.516 1.064 1.00 0.00 H new ATOM 0 HA LEU A 41 2.133 7.741 1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.292 5.768 2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.854 5.681 3.305 1.00 0.00 H new ATOM 0 HG LEU A 41 2.493 4.177 1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.592 4.992 0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.502 5.397 1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.947 6.648 0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.762 4.755 -0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.358 6.364 -0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.283 4.909 0.050 1.00 0.00 H new ATOM 570 N ALA A 42 4.253 8.311 4.298 1.00 0.00 N ATOM 571 CA ALA A 42 4.385 8.915 5.624 1.00 0.00 C ATOM 572 C ALA A 42 3.833 10.355 5.728 1.00 0.00 C ATOM 573 O ALA A 42 3.345 10.736 6.792 1.00 0.00 O ATOM 574 CB ALA A 42 5.863 8.880 6.018 1.00 0.00 C ATOM 0 H ALA A 42 5.139 7.991 3.906 1.00 0.00 H new ATOM 0 HA ALA A 42 3.773 8.330 6.310 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.987 9.326 7.005 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.209 7.847 6.040 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.447 9.443 5.290 1.00 0.00 H new ATOM 580 N GLU A 43 3.877 11.144 4.652 1.00 0.00 N ATOM 581 CA GLU A 43 3.293 12.491 4.615 1.00 0.00 C ATOM 582 C GLU A 43 1.765 12.455 4.464 1.00 0.00 C ATOM 583 O GLU A 43 1.065 13.154 5.202 1.00 0.00 O ATOM 584 CB GLU A 43 3.915 13.322 3.483 1.00 0.00 C ATOM 585 CG GLU A 43 5.330 13.797 3.816 1.00 0.00 C ATOM 586 CD GLU A 43 5.329 15.011 4.768 1.00 0.00 C ATOM 587 OE1 GLU A 43 5.068 16.148 4.309 1.00 0.00 O ATOM 588 OE2 GLU A 43 5.619 14.836 5.976 1.00 0.00 O ATOM 0 H GLU A 43 4.321 10.867 3.776 1.00 0.00 H new ATOM 0 HA GLU A 43 3.520 12.963 5.571 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.940 12.726 2.571 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.283 14.187 3.281 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.888 12.980 4.273 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.849 14.061 2.895 1.00 0.00 H new ATOM 593 N VAL A 44 1.229 11.633 3.549 1.00 0.00 N ATOM 594 CA VAL A 44 -0.233 11.494 3.363 1.00 0.00 C ATOM 595 C VAL A 44 -0.927 10.852 4.579 1.00 0.00 C ATOM 596 O VAL A 44 -1.935 11.371 5.060 1.00 0.00 O ATOM 597 CB VAL A 44 -0.597 10.771 2.036 1.00 0.00 C ATOM 598 CG1 VAL A 44 0.148 9.483 1.744 1.00 0.00 C ATOM 599 CG2 VAL A 44 -2.082 10.446 1.943 1.00 0.00 C ATOM 0 H VAL A 44 1.784 11.051 2.922 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.623 12.509 3.284 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.289 11.509 1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.192 9.073 0.793 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.218 9.686 1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.045 8.763 2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.286 9.942 0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.364 9.795 2.770 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.660 11.369 1.994 1.00 0.00 H new ATOM 609 N PHE A 45 -0.384 9.746 5.093 1.00 0.00 N ATOM 610 CA PHE A 45 -1.009 8.877 6.102 1.00 0.00 C ATOM 611 C PHE A 45 -1.278 9.575 7.440 1.00 0.00 C ATOM 612 O PHE A 45 -2.184 9.174 8.166 1.00 0.00 O ATOM 613 CB PHE A 45 -0.137 7.622 6.334 1.00 0.00 C ATOM 614 CG PHE A 45 -0.886 6.310 6.293 1.00 0.00 C ATOM 615 CD1 PHE A 45 -1.826 6.008 7.296 1.00 0.00 C ATOM 616 CD2 PHE A 45 -0.643 5.377 5.267 1.00 0.00 C ATOM 617 CE1 PHE A 45 -2.531 4.797 7.255 1.00 0.00 C ATOM 618 CE2 PHE A 45 -1.345 4.160 5.231 1.00 0.00 C ATOM 619 CZ PHE A 45 -2.296 3.872 6.225 1.00 0.00 C ATOM 0 H PHE A 45 0.538 9.416 4.809 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.982 8.597 5.699 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.649 7.599 5.579 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.354 7.713 7.303 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.004 6.709 8.098 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.087 5.598 4.503 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.260 4.574 8.020 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.154 3.448 4.442 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.844 2.942 6.197 1.00 0.00 H new ATOM 628 N SER A 46 -0.537 10.629 7.772 1.00 0.00 N ATOM 629 CA SER A 46 -0.749 11.414 9.003 1.00 0.00 C ATOM 630 C SER A 46 -2.150 12.055 9.107 1.00 0.00 C ATOM 631 O SER A 46 -2.602 12.364 10.214 1.00 0.00 O ATOM 632 CB SER A 46 0.314 12.513 9.105 1.00 0.00 C ATOM 633 OG SER A 46 1.608 11.952 9.249 1.00 0.00 O ATOM 0 H SER A 46 0.233 10.971 7.197 1.00 0.00 H new ATOM 0 HA SER A 46 -0.667 10.707 9.828 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.282 13.140 8.214 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.096 13.158 9.956 1.00 0.00 H new ATOM 0 HG SER A 46 1.939 11.665 8.373 1.00 0.00 H new ATOM 638 N ASP A 47 -2.856 12.223 7.980 1.00 0.00 N ATOM 639 CA ASP A 47 -4.239 12.718 7.938 1.00 0.00 C ATOM 640 C ASP A 47 -5.287 11.584 7.872 1.00 0.00 C ATOM 641 O ASP A 47 -6.479 11.833 8.053 1.00 0.00 O ATOM 642 CB ASP A 47 -4.386 13.695 6.760 1.00 0.00 C ATOM 643 CG ASP A 47 -5.614 14.614 6.918 1.00 0.00 C ATOM 644 OD1 ASP A 47 -5.658 15.392 7.903 1.00 0.00 O ATOM 645 OD2 ASP A 47 -6.507 14.604 6.039 1.00 0.00 O ATOM 0 H ASP A 47 -2.476 12.015 7.057 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.440 13.240 8.874 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.486 14.304 6.680 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.473 13.132 5.831 1.00 0.00 H new ATOM 649 N TYR A 48 -4.853 10.337 7.641 1.00 0.00 N ATOM 650 CA TYR A 48 -5.697 9.139 7.496 1.00 0.00 C ATOM 651 C TYR A 48 -5.275 7.925 8.369 1.00 0.00 C ATOM 652 O TYR A 48 -5.319 6.783 7.886 1.00 0.00 O ATOM 653 CB TYR A 48 -5.766 8.754 6.005 1.00 0.00 C ATOM 654 CG TYR A 48 -6.042 9.906 5.064 1.00 0.00 C ATOM 655 CD1 TYR A 48 -7.348 10.415 4.931 1.00 0.00 C ATOM 656 CD2 TYR A 48 -4.985 10.504 4.364 1.00 0.00 C ATOM 657 CE1 TYR A 48 -7.593 11.537 4.113 1.00 0.00 C ATOM 658 CE2 TYR A 48 -5.213 11.647 3.577 1.00 0.00 C ATOM 659 CZ TYR A 48 -6.517 12.172 3.461 1.00 0.00 C ATOM 660 OH TYR A 48 -6.720 13.306 2.734 1.00 0.00 O ATOM 0 H TYR A 48 -3.860 10.125 7.546 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.683 9.407 7.874 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.822 8.289 5.720 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.544 8.002 5.874 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.165 9.944 5.457 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.992 10.085 4.429 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.600 11.908 3.987 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.391 12.122 3.062 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.868 13.608 2.355 1.00 0.00 H new ATOM 669 N PRO A 49 -4.900 8.101 9.658 1.00 0.00 N ATOM 670 CA PRO A 49 -4.391 7.017 10.508 1.00 0.00 C ATOM 671 C PRO A 49 -5.401 5.882 10.737 1.00 0.00 C ATOM 672 O PRO A 49 -4.992 4.786 11.117 1.00 0.00 O ATOM 673 CB PRO A 49 -4.007 7.686 11.835 1.00 0.00 C ATOM 674 CG PRO A 49 -4.918 8.909 11.902 1.00 0.00 C ATOM 675 CD PRO A 49 -4.997 9.331 10.439 1.00 0.00 C ATOM 0 HA PRO A 49 -3.547 6.529 10.021 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.170 7.019 12.681 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.955 7.970 11.850 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.899 8.664 12.309 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.499 9.695 12.531 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.933 9.851 10.233 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.189 10.018 10.187 1.00 0.00 H new ATOM 680 N GLU A 50 -6.696 6.105 10.468 1.00 0.00 N ATOM 681 CA GLU A 50 -7.734 5.067 10.492 1.00 0.00 C ATOM 682 C GLU A 50 -7.621 4.021 9.361 1.00 0.00 C ATOM 683 O GLU A 50 -8.234 2.957 9.467 1.00 0.00 O ATOM 684 CB GLU A 50 -9.123 5.722 10.489 1.00 0.00 C ATOM 685 CG GLU A 50 -9.468 6.476 9.195 1.00 0.00 C ATOM 686 CD GLU A 50 -10.835 7.163 9.323 1.00 0.00 C ATOM 687 OE1 GLU A 50 -11.872 6.524 9.028 1.00 0.00 O ATOM 688 OE2 GLU A 50 -10.883 8.347 9.735 1.00 0.00 O ATOM 0 H GLU A 50 -7.056 7.028 10.224 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.581 4.506 11.414 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.875 4.951 10.657 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.185 6.416 11.327 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.699 7.219 8.984 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.480 5.782 8.355 1.00 0.00 H new ATOM 693 N VAL A 51 -6.840 4.276 8.301 1.00 0.00 N ATOM 694 CA VAL A 51 -6.531 3.285 7.254 1.00 0.00 C ATOM 695 C VAL A 51 -5.492 2.286 7.804 1.00 0.00 C ATOM 696 O VAL A 51 -4.558 2.679 8.503 1.00 0.00 O ATOM 697 CB VAL A 51 -6.027 3.971 5.951 1.00 0.00 C ATOM 698 CG1 VAL A 51 -5.675 2.953 4.841 1.00 0.00 C ATOM 699 CG2 VAL A 51 -7.079 4.938 5.393 1.00 0.00 C ATOM 0 H VAL A 51 -6.400 5.183 8.143 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.441 2.747 6.989 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.124 4.512 6.233 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.329 3.486 3.955 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.888 2.287 5.194 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.560 2.368 4.590 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.700 5.403 4.483 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.993 4.390 5.167 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.292 5.710 6.133 1.00 0.00 H new ATOM 709 N GLY A 52 -5.635 0.992 7.502 1.00 0.00 N ATOM 710 CA GLY A 52 -4.627 -0.034 7.824 1.00 0.00 C ATOM 711 C GLY A 52 -3.585 -0.152 6.711 1.00 0.00 C ATOM 712 O GLY A 52 -3.973 -0.260 5.554 1.00 0.00 O ATOM 0 H GLY A 52 -6.456 0.620 7.025 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.134 0.219 8.763 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.117 -0.996 7.971 1.00 0.00 H new ATOM 716 N HIS A 53 -2.287 -0.163 7.016 1.00 0.00 N ATOM 717 CA HIS A 53 -1.225 -0.330 6.000 1.00 0.00 C ATOM 718 C HIS A 53 -0.570 -1.722 6.113 1.00 0.00 C ATOM 719 O HIS A 53 -0.065 -2.086 7.180 1.00 0.00 O ATOM 720 CB HIS A 53 -0.175 0.790 6.162 1.00 0.00 C ATOM 721 CG HIS A 53 0.605 1.148 4.909 1.00 0.00 C ATOM 722 ND1 HIS A 53 1.834 1.782 4.861 1.00 0.00 N ATOM 723 CD2 HIS A 53 0.190 1.019 3.610 1.00 0.00 C ATOM 724 CE1 HIS A 53 2.140 2.011 3.569 1.00 0.00 C ATOM 725 NE2 HIS A 53 1.149 1.584 2.777 1.00 0.00 N ATOM 0 H HIS A 53 -1.934 -0.058 7.967 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.669 -0.257 5.007 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.680 1.687 6.522 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.533 0.490 6.935 1.00 0.00 H new ATOM 0 HD1 HIS A 53 2.409 2.033 5.665 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.730 0.555 3.286 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.053 2.472 3.222 1.00 0.00 H new ATOM 733 N LEU A 54 -0.553 -2.491 5.021 1.00 0.00 N ATOM 734 CA LEU A 54 0.087 -3.806 4.932 1.00 0.00 C ATOM 735 C LEU A 54 1.360 -3.682 4.082 1.00 0.00 C ATOM 736 O LEU A 54 1.316 -3.660 2.854 1.00 0.00 O ATOM 737 CB LEU A 54 -0.944 -4.821 4.387 1.00 0.00 C ATOM 738 CG LEU A 54 -0.678 -6.306 4.701 1.00 0.00 C ATOM 739 CD1 LEU A 54 0.720 -6.767 4.268 1.00 0.00 C ATOM 740 CD2 LEU A 54 -0.886 -6.638 6.187 1.00 0.00 C ATOM 0 H LEU A 54 -0.998 -2.207 4.148 1.00 0.00 H new ATOM 0 HA LEU A 54 0.404 -4.177 5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.924 -4.558 4.784 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.997 -4.705 3.304 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.415 -6.853 4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.848 -7.821 4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.831 -6.630 3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.475 -6.178 4.788 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.686 -7.696 6.355 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.205 -6.039 6.792 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.915 -6.414 6.469 1.00 0.00 H new ATOM 751 N LYS A 55 2.510 -3.586 4.749 1.00 0.00 N ATOM 752 CA LYS A 55 3.823 -3.505 4.101 1.00 0.00 C ATOM 753 C LYS A 55 4.340 -4.890 3.681 1.00 0.00 C ATOM 754 O LYS A 55 4.907 -5.610 4.504 1.00 0.00 O ATOM 755 CB LYS A 55 4.819 -2.867 5.065 1.00 0.00 C ATOM 756 CG LYS A 55 4.718 -1.341 5.122 1.00 0.00 C ATOM 757 CD LYS A 55 5.366 -0.749 6.371 1.00 0.00 C ATOM 758 CE LYS A 55 4.653 -1.216 7.648 1.00 0.00 C ATOM 759 NZ LYS A 55 5.431 -0.874 8.865 1.00 0.00 N ATOM 0 H LYS A 55 2.559 -3.562 5.768 1.00 0.00 H new ATOM 0 HA LYS A 55 3.718 -2.900 3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.657 -3.272 6.064 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.830 -3.146 4.768 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.193 -0.917 4.237 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.668 -1.050 5.091 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.415 -1.041 6.411 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.340 0.339 6.315 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.667 -0.755 7.704 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.498 -2.294 7.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.920 -1.204 9.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.362 -1.335 8.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.557 0.157 8.918 1.00 0.00 H new ATOM 769 N VAL A 56 4.224 -5.232 2.400 1.00 0.00 N ATOM 770 CA VAL A 56 4.773 -6.470 1.829 1.00 0.00 C ATOM 771 C VAL A 56 6.206 -6.250 1.370 1.00 0.00 C ATOM 772 O VAL A 56 6.465 -5.417 0.502 1.00 0.00 O ATOM 773 CB VAL A 56 3.922 -6.980 0.643 1.00 0.00 C ATOM 774 CG1 VAL A 56 4.442 -8.341 0.132 1.00 0.00 C ATOM 775 CG2 VAL A 56 2.430 -7.091 0.986 1.00 0.00 C ATOM 0 H VAL A 56 3.740 -4.652 1.715 1.00 0.00 H new ATOM 0 HA VAL A 56 4.752 -7.227 2.613 1.00 0.00 H new ATOM 0 HB VAL A 56 4.023 -6.234 -0.145 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.825 -8.676 -0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.475 -8.235 -0.200 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.394 -9.074 0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.883 -7.454 0.116 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.298 -7.787 1.814 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.048 -6.111 1.272 1.00 0.00 H new ATOM 785 N GLU A 57 7.118 -7.029 1.945 1.00 0.00 N ATOM 786 CA GLU A 57 8.517 -7.096 1.535 1.00 0.00 C ATOM 787 C GLU A 57 8.671 -7.918 0.238 1.00 0.00 C ATOM 788 O GLU A 57 9.124 -9.063 0.228 1.00 0.00 O ATOM 789 CB GLU A 57 9.368 -7.588 2.710 1.00 0.00 C ATOM 790 CG GLU A 57 10.758 -6.975 2.670 1.00 0.00 C ATOM 791 CD GLU A 57 11.609 -7.399 3.873 1.00 0.00 C ATOM 792 OE1 GLU A 57 11.205 -7.129 5.028 1.00 0.00 O ATOM 793 OE2 GLU A 57 12.695 -7.990 3.672 1.00 0.00 O ATOM 0 H GLU A 57 6.899 -7.646 2.727 1.00 0.00 H new ATOM 0 HA GLU A 57 8.890 -6.104 1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.880 -7.330 3.650 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.445 -8.675 2.678 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.259 -7.273 1.749 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.674 -5.888 2.650 1.00 0.00 H new ATOM 894 N GLY A 65 2.435 -8.636 -4.756 1.00 0.00 N ATOM 895 CA GLY A 65 2.170 -7.807 -5.946 1.00 0.00 C ATOM 896 C GLY A 65 2.049 -8.620 -7.247 1.00 0.00 C ATOM 897 O GLY A 65 1.328 -8.218 -8.167 1.00 0.00 O ATOM 0 HA2 GLY A 65 1.248 -7.246 -5.790 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.972 -7.077 -6.056 1.00 0.00 H new ATOM 901 N ARG A 66 2.654 -9.814 -7.266 1.00 0.00 N ATOM 902 CA ARG A 66 2.408 -10.912 -8.216 1.00 0.00 C ATOM 903 C ARG A 66 0.904 -11.224 -8.343 1.00 0.00 C ATOM 904 O ARG A 66 0.345 -11.161 -9.435 1.00 0.00 O ATOM 905 CB ARG A 66 3.197 -12.128 -7.700 1.00 0.00 C ATOM 906 CG ARG A 66 2.937 -13.440 -8.465 1.00 0.00 C ATOM 907 CD ARG A 66 3.649 -14.626 -7.804 1.00 0.00 C ATOM 908 NE ARG A 66 3.161 -14.845 -6.420 1.00 0.00 N ATOM 909 CZ ARG A 66 3.901 -15.012 -5.331 1.00 0.00 C ATOM 910 NH1 ARG A 66 5.200 -15.193 -5.369 1.00 0.00 N ATOM 911 NH2 ARG A 66 3.342 -14.978 -4.148 1.00 0.00 N ATOM 0 H ARG A 66 3.370 -10.056 -6.581 1.00 0.00 H new ATOM 0 HA ARG A 66 2.738 -10.636 -9.218 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.262 -11.900 -7.750 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.953 -12.282 -6.649 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.865 -13.633 -8.504 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.280 -13.336 -9.495 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.486 -15.527 -8.396 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.724 -14.445 -7.788 1.00 0.00 H new ATOM 0 HE ARG A 66 2.149 -14.870 -6.292 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.687 -15.210 -6.265 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.723 -15.317 -4.502 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.337 -14.823 -4.063 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.911 -15.106 -3.311 1.00 0.00 H new ATOM 922 N SER A 67 0.235 -11.489 -7.226 1.00 0.00 N ATOM 923 CA SER A 67 -1.162 -11.956 -7.156 1.00 0.00 C ATOM 924 C SER A 67 -2.193 -10.818 -7.168 1.00 0.00 C ATOM 925 O SER A 67 -3.401 -11.050 -7.271 1.00 0.00 O ATOM 926 CB SER A 67 -1.338 -12.813 -5.893 1.00 0.00 C ATOM 927 OG SER A 67 -0.311 -13.798 -5.777 1.00 0.00 O ATOM 0 H SER A 67 0.659 -11.383 -6.304 1.00 0.00 H new ATOM 0 HA SER A 67 -1.351 -12.542 -8.055 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.327 -12.170 -5.013 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.311 -13.303 -5.918 1.00 0.00 H new ATOM 0 HG SER A 67 -0.453 -14.324 -4.962 1.00 0.00 H new ATOM 932 N PHE A 68 -1.715 -9.567 -7.092 1.00 0.00 N ATOM 933 CA PHE A 68 -2.444 -8.360 -7.482 1.00 0.00 C ATOM 934 C PHE A 68 -2.211 -7.974 -8.952 1.00 0.00 C ATOM 935 O PHE A 68 -2.860 -7.042 -9.434 1.00 0.00 O ATOM 936 CB PHE A 68 -2.057 -7.205 -6.544 1.00 0.00 C ATOM 937 CG PHE A 68 -2.788 -7.248 -5.224 1.00 0.00 C ATOM 938 CD1 PHE A 68 -2.286 -8.017 -4.166 1.00 0.00 C ATOM 939 CD2 PHE A 68 -3.967 -6.505 -5.049 1.00 0.00 C ATOM 940 CE1 PHE A 68 -2.941 -8.047 -2.928 1.00 0.00 C ATOM 941 CE2 PHE A 68 -4.617 -6.508 -3.801 1.00 0.00 C ATOM 942 CZ PHE A 68 -4.103 -7.276 -2.733 1.00 0.00 C ATOM 0 H PHE A 68 -0.777 -9.365 -6.745 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.510 -8.570 -7.388 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.983 -7.238 -6.360 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.267 -6.257 -7.039 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.384 -8.593 -4.306 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.374 -5.933 -5.870 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.556 -8.659 -2.126 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.512 -5.921 -3.659 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.598 -7.272 -1.773 1.00 0.00 H new ATOM 951 N GLN A 69 -1.311 -8.666 -9.665 1.00 0.00 N ATOM 952 CA GLN A 69 -0.971 -8.427 -11.069 1.00 0.00 C ATOM 953 C GLN A 69 -0.506 -6.969 -11.272 1.00 0.00 C ATOM 954 O GLN A 69 -0.975 -6.252 -12.158 1.00 0.00 O ATOM 955 CB GLN A 69 -2.122 -8.899 -11.989 1.00 0.00 C ATOM 956 CG GLN A 69 -2.325 -10.431 -11.956 1.00 0.00 C ATOM 957 CD GLN A 69 -2.994 -11.024 -10.711 1.00 0.00 C ATOM 958 OE1 GLN A 69 -2.662 -12.117 -10.277 1.00 0.00 O ATOM 959 NE2 GLN A 69 -3.944 -10.366 -10.080 1.00 0.00 N ATOM 0 H GLN A 69 -0.781 -9.438 -9.260 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.114 -9.032 -11.365 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.047 -8.408 -11.687 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.915 -8.586 -13.012 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.920 -10.711 -12.825 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.350 -10.903 -12.072 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.242 -9.451 -10.419 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.382 -10.771 -9.252 1.00 0.00 H new ATOM 966 N VAL A 70 0.388 -6.519 -10.384 1.00 0.00 N ATOM 967 CA VAL A 70 0.950 -5.162 -10.332 1.00 0.00 C ATOM 968 C VAL A 70 1.735 -4.811 -11.603 1.00 0.00 C ATOM 969 O VAL A 70 2.422 -5.653 -12.176 1.00 0.00 O ATOM 970 CB VAL A 70 1.815 -5.033 -9.050 1.00 0.00 C ATOM 971 CG1 VAL A 70 2.750 -3.816 -9.049 1.00 0.00 C ATOM 972 CG2 VAL A 70 0.905 -4.949 -7.824 1.00 0.00 C ATOM 0 H VAL A 70 0.758 -7.119 -9.646 1.00 0.00 H new ATOM 0 HA VAL A 70 0.137 -4.438 -10.288 1.00 0.00 H new ATOM 0 HB VAL A 70 2.446 -5.921 -9.023 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.320 -3.796 -8.120 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.435 -3.883 -9.894 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.160 -2.904 -9.132 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.514 -4.858 -6.924 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.256 -4.078 -7.912 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.296 -5.851 -7.761 1.00 0.00 H new ATOM 982 N LYS A 71 1.629 -3.543 -12.026 1.00 0.00 N ATOM 983 CA LYS A 71 2.287 -2.996 -13.223 1.00 0.00 C ATOM 984 C LYS A 71 3.761 -2.653 -12.924 1.00 0.00 C ATOM 985 O LYS A 71 4.618 -3.541 -12.983 1.00 0.00 O ATOM 986 CB LYS A 71 1.474 -1.795 -13.756 1.00 0.00 C ATOM 987 CG LYS A 71 0.202 -2.180 -14.515 1.00 0.00 C ATOM 988 CD LYS A 71 -1.006 -2.401 -13.587 1.00 0.00 C ATOM 989 CE LYS A 71 -2.185 -2.977 -14.371 1.00 0.00 C ATOM 990 NZ LYS A 71 -2.845 -1.983 -15.261 1.00 0.00 N ATOM 0 H LYS A 71 1.068 -2.850 -11.531 1.00 0.00 H new ATOM 0 HA LYS A 71 2.308 -3.746 -14.014 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.202 -1.155 -12.917 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.111 -1.204 -14.414 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.037 -1.396 -15.234 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.387 -3.090 -15.085 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.732 -3.080 -12.779 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.295 -1.457 -13.125 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.836 -3.817 -14.972 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.921 -3.371 -13.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.635 -2.437 -15.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.206 -1.192 -14.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.156 -1.625 -15.952 1.00 0.00 H new ATOM 1000 N LEU A 72 4.073 -1.393 -12.600 1.00 0.00 N ATOM 1001 CA LEU A 72 5.377 -1.012 -12.056 1.00 0.00 C ATOM 1002 C LEU A 72 5.447 -1.454 -10.592 1.00 0.00 C ATOM 1003 O LEU A 72 4.466 -1.356 -9.861 1.00 0.00 O ATOM 1004 CB LEU A 72 5.587 0.508 -12.197 1.00 0.00 C ATOM 1005 CG LEU A 72 7.072 0.915 -12.198 1.00 0.00 C ATOM 1006 CD1 LEU A 72 7.737 0.615 -13.551 1.00 0.00 C ATOM 1007 CD2 LEU A 72 7.210 2.408 -11.890 1.00 0.00 C ATOM 0 H LEU A 72 3.427 -0.611 -12.708 1.00 0.00 H new ATOM 0 HA LEU A 72 6.175 -1.504 -12.611 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.122 0.849 -13.122 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.078 1.017 -11.379 1.00 0.00 H new ATOM 0 HG LEU A 72 7.574 0.329 -11.428 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.784 0.915 -13.516 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.672 -0.453 -13.760 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.227 1.170 -14.338 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.264 2.684 -11.893 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.681 2.986 -12.648 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.783 2.618 -10.909 1.00 0.00 H new ATOM 1018 N TRP A 73 6.603 -1.940 -10.151 1.00 0.00 N ATOM 1019 CA TRP A 73 6.736 -2.587 -8.846 1.00 0.00 C ATOM 1020 C TRP A 73 6.408 -1.703 -7.613 1.00 0.00 C ATOM 1021 O TRP A 73 5.758 -2.232 -6.706 1.00 0.00 O ATOM 1022 CB TRP A 73 8.139 -3.173 -8.752 1.00 0.00 C ATOM 1023 CG TRP A 73 8.387 -3.979 -7.524 1.00 0.00 C ATOM 1024 CD1 TRP A 73 7.912 -5.213 -7.260 1.00 0.00 C ATOM 1025 CD2 TRP A 73 9.169 -3.593 -6.366 1.00 0.00 C ATOM 1026 NE1 TRP A 73 8.373 -5.637 -6.029 1.00 0.00 N ATOM 1027 CE2 TRP A 73 9.201 -4.692 -5.453 1.00 0.00 C ATOM 1028 CE3 TRP A 73 9.851 -2.413 -6.007 1.00 0.00 C ATOM 1029 CZ2 TRP A 73 9.951 -4.647 -4.271 1.00 0.00 C ATOM 1030 CZ3 TRP A 73 10.572 -2.352 -4.802 1.00 0.00 C ATOM 1031 CH2 TRP A 73 10.664 -3.473 -3.965 1.00 0.00 C ATOM 0 H TRP A 73 7.472 -1.898 -10.684 1.00 0.00 H new ATOM 0 HA TRP A 73 5.971 -3.362 -8.801 1.00 0.00 H new ATOM 0 HB2 TRP A 73 8.317 -3.800 -9.626 1.00 0.00 H new ATOM 0 HB3 TRP A 73 8.863 -2.359 -8.790 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.268 -5.784 -7.913 1.00 0.00 H new ATOM 0 HE1 TRP A 73 8.134 -6.531 -5.601 1.00 0.00 H new ATOM 0 HE3 TRP A 73 9.820 -1.553 -6.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 9.982 -5.498 -3.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 11.060 -1.432 -4.518 1.00 0.00 H new ATOM 0 HH2 TRP A 73 11.285 -3.435 -3.082 1.00 0.00 H new ATOM 1041 N PRO A 74 6.803 -0.407 -7.535 1.00 0.00 N ATOM 1042 CA PRO A 74 6.496 0.439 -6.389 1.00 0.00 C ATOM 1043 C PRO A 74 5.038 0.915 -6.464 1.00 0.00 C ATOM 1044 O PRO A 74 4.727 1.970 -7.025 1.00 0.00 O ATOM 1045 CB PRO A 74 7.518 1.578 -6.435 1.00 0.00 C ATOM 1046 CG PRO A 74 7.735 1.762 -7.937 1.00 0.00 C ATOM 1047 CD PRO A 74 7.641 0.337 -8.470 1.00 0.00 C ATOM 0 HA PRO A 74 6.575 -0.083 -5.435 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.137 2.485 -5.965 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.442 1.316 -5.920 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.978 2.410 -8.379 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.704 2.211 -8.153 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.208 0.326 -9.470 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.631 -0.114 -8.546 1.00 0.00 H new ATOM 1052 N THR A 75 4.148 0.092 -5.912 1.00 0.00 N ATOM 1053 CA THR A 75 2.693 0.188 -6.047 1.00 0.00 C ATOM 1054 C THR A 75 2.045 -0.171 -4.726 1.00 0.00 C ATOM 1055 O THR A 75 2.553 -0.993 -3.959 1.00 0.00 O ATOM 1056 CB THR A 75 2.215 -0.751 -7.162 1.00 0.00 C ATOM 1057 OG1 THR A 75 2.572 -0.158 -8.380 1.00 0.00 O ATOM 1058 CG2 THR A 75 0.700 -0.984 -7.234 1.00 0.00 C ATOM 0 H THR A 75 4.433 -0.697 -5.331 1.00 0.00 H new ATOM 0 HA THR A 75 2.410 1.207 -6.312 1.00 0.00 H new ATOM 0 HB THR A 75 2.675 -1.717 -6.955 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.416 -0.542 -8.696 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.475 -1.662 -8.057 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.354 -1.422 -6.298 1.00 0.00 H new ATOM 0 HG23 THR A 75 0.193 -0.033 -7.398 1.00 0.00 H new ATOM 1066 N PHE A 76 0.887 0.434 -4.487 1.00 0.00 N ATOM 1067 CA PHE A 76 0.041 0.151 -3.341 1.00 0.00 C ATOM 1068 C PHE A 76 -1.437 0.136 -3.757 1.00 0.00 C ATOM 1069 O PHE A 76 -1.921 1.052 -4.426 1.00 0.00 O ATOM 1070 CB PHE A 76 0.345 1.124 -2.187 1.00 0.00 C ATOM 1071 CG PHE A 76 0.813 2.488 -2.593 1.00 0.00 C ATOM 1072 CD1 PHE A 76 2.162 2.701 -2.939 1.00 0.00 C ATOM 1073 CD2 PHE A 76 -0.115 3.533 -2.655 1.00 0.00 C ATOM 1074 CE1 PHE A 76 2.575 3.954 -3.406 1.00 0.00 C ATOM 1075 CE2 PHE A 76 0.310 4.793 -3.070 1.00 0.00 C ATOM 1076 CZ PHE A 76 1.637 4.997 -3.485 1.00 0.00 C ATOM 0 H PHE A 76 0.504 1.152 -5.102 1.00 0.00 H new ATOM 0 HA PHE A 76 0.264 -0.846 -2.962 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.555 1.234 -1.582 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.105 0.675 -1.548 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.877 1.897 -2.844 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.147 3.365 -2.385 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.601 4.117 -3.702 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.386 5.619 -3.073 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.938 5.961 -3.867 1.00 0.00 H new ATOM 1085 N VAL A 77 -2.135 -0.935 -3.365 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.526 -1.239 -3.727 1.00 0.00 C ATOM 1087 C VAL A 77 -4.432 -0.955 -2.534 1.00 0.00 C ATOM 1088 O VAL A 77 -4.203 -1.477 -1.442 1.00 0.00 O ATOM 1089 CB VAL A 77 -3.689 -2.698 -4.210 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -5.130 -2.987 -4.650 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -2.756 -2.998 -5.397 1.00 0.00 C ATOM 0 H VAL A 77 -1.728 -1.647 -2.759 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.814 -0.598 -4.560 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.431 -3.335 -3.364 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.208 -4.022 -4.983 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.806 -2.824 -3.811 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.401 -2.321 -5.469 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.893 -4.032 -5.715 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.993 -2.329 -6.224 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.720 -2.846 -5.093 1.00 0.00 H new ATOM 1101 N PHE A 78 -5.448 -0.112 -2.746 1.00 0.00 N ATOM 1102 CA PHE A 78 -6.433 0.258 -1.730 1.00 0.00 C ATOM 1103 C PHE A 78 -7.576 -0.760 -1.741 1.00 0.00 C ATOM 1104 O PHE A 78 -8.232 -0.997 -2.763 1.00 0.00 O ATOM 1105 CB PHE A 78 -6.934 1.698 -1.942 1.00 0.00 C ATOM 1106 CG PHE A 78 -5.883 2.799 -1.827 1.00 0.00 C ATOM 1107 CD1 PHE A 78 -4.970 2.999 -2.881 1.00 0.00 C ATOM 1108 CD2 PHE A 78 -5.776 3.597 -0.661 1.00 0.00 C ATOM 1109 CE1 PHE A 78 -3.942 3.941 -2.762 1.00 0.00 C ATOM 1110 CE2 PHE A 78 -4.758 4.570 -0.564 1.00 0.00 C ATOM 1111 CZ PHE A 78 -3.842 4.735 -1.616 1.00 0.00 C ATOM 0 H PHE A 78 -5.610 0.340 -3.646 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.965 0.238 -0.746 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -7.390 1.761 -2.930 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.721 1.898 -1.215 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.064 2.421 -3.788 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.473 3.461 0.153 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.223 4.055 -3.559 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.683 5.187 0.319 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.060 5.476 -1.539 1.00 0.00 H new ATOM 1120 N LEU A 79 -7.811 -1.362 -0.579 1.00 0.00 N ATOM 1121 CA LEU A 79 -8.829 -2.366 -0.303 1.00 0.00 C ATOM 1122 C LEU A 79 -9.910 -1.783 0.617 1.00 0.00 C ATOM 1123 O LEU A 79 -9.667 -0.882 1.420 1.00 0.00 O ATOM 1124 CB LEU A 79 -8.199 -3.581 0.410 1.00 0.00 C ATOM 1125 CG LEU A 79 -7.404 -4.611 -0.414 1.00 0.00 C ATOM 1126 CD1 LEU A 79 -8.281 -5.584 -1.197 1.00 0.00 C ATOM 1127 CD2 LEU A 79 -6.383 -3.982 -1.343 1.00 0.00 C ATOM 0 H LEU A 79 -7.257 -1.145 0.250 1.00 0.00 H new ATOM 0 HA LEU A 79 -9.268 -2.673 -1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.534 -3.198 1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.002 -4.116 0.916 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.868 -5.183 0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.649 -6.278 -1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.913 -6.142 -0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.909 -5.028 -1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.860 -4.765 -1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.890 -3.322 -2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.665 -3.407 -0.758 1.00 0.00 H new ATOM 1138 N ARG A 80 -11.084 -2.394 0.542 1.00 0.00 N ATOM 1139 CA ARG A 80 -12.258 -2.150 1.394 1.00 0.00 C ATOM 1140 C ARG A 80 -13.272 -3.271 1.157 1.00 0.00 C ATOM 1141 O ARG A 80 -13.452 -3.713 0.024 1.00 0.00 O ATOM 1142 CB ARG A 80 -12.854 -0.761 1.091 1.00 0.00 C ATOM 1143 CG ARG A 80 -13.624 -0.171 2.277 1.00 0.00 C ATOM 1144 CD ARG A 80 -13.970 1.303 2.036 1.00 0.00 C ATOM 1145 NE ARG A 80 -14.946 1.456 0.939 1.00 0.00 N ATOM 1146 CZ ARG A 80 -15.012 2.444 0.054 1.00 0.00 C ATOM 1147 NH1 ARG A 80 -14.177 3.459 0.050 1.00 0.00 N ATOM 1148 NH2 ARG A 80 -15.950 2.420 -0.868 1.00 0.00 N ATOM 0 H ARG A 80 -11.261 -3.118 -0.154 1.00 0.00 H new ATOM 0 HA ARG A 80 -11.974 -2.153 2.446 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -12.051 -0.080 0.811 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.521 -0.837 0.233 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.539 -0.740 2.439 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -13.026 -0.263 3.184 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -14.377 1.737 2.950 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.062 1.857 1.797 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.648 0.721 0.851 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -13.436 3.512 0.749 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -14.270 4.193 -0.652 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -16.616 1.648 -0.898 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -16.011 3.173 -1.553 1.00 0.00 H new ATOM 1159 N ASP A 81 -13.870 -3.794 2.223 1.00 0.00 N ATOM 1160 CA ASP A 81 -14.753 -4.974 2.187 1.00 0.00 C ATOM 1161 C ASP A 81 -14.005 -6.249 1.704 1.00 0.00 C ATOM 1162 O ASP A 81 -14.581 -7.118 1.050 1.00 0.00 O ATOM 1163 CB ASP A 81 -16.027 -4.668 1.371 1.00 0.00 C ATOM 1164 CG ASP A 81 -17.155 -5.686 1.619 1.00 0.00 C ATOM 1165 OD1 ASP A 81 -17.498 -5.940 2.804 1.00 0.00 O ATOM 1166 OD2 ASP A 81 -17.718 -6.196 0.621 1.00 0.00 O ATOM 0 H ASP A 81 -13.757 -3.407 3.160 1.00 0.00 H new ATOM 0 HA ASP A 81 -15.071 -5.197 3.205 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.383 -3.669 1.624 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -15.779 -4.659 0.310 1.00 0.00 H new ATOM 1170 N GLY A 82 -12.684 -6.310 1.944 1.00 0.00 N ATOM 1171 CA GLY A 82 -11.806 -7.379 1.444 1.00 0.00 C ATOM 1172 C GLY A 82 -11.549 -7.354 -0.074 1.00 0.00 C ATOM 1173 O GLY A 82 -10.914 -8.278 -0.586 1.00 0.00 O ATOM 0 H GLY A 82 -12.191 -5.609 2.498 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.848 -7.313 1.960 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.245 -8.342 1.707 1.00 0.00 H new ATOM 1177 N ARG A 83 -12.010 -6.320 -0.788 1.00 0.00 N ATOM 1178 CA ARG A 83 -11.931 -6.179 -2.249 1.00 0.00 C ATOM 1179 C ARG A 83 -11.246 -4.874 -2.635 1.00 0.00 C ATOM 1180 O ARG A 83 -11.253 -3.892 -1.897 1.00 0.00 O ATOM 1181 CB ARG A 83 -13.340 -6.247 -2.864 1.00 0.00 C ATOM 1182 CG ARG A 83 -13.822 -7.700 -2.896 1.00 0.00 C ATOM 1183 CD ARG A 83 -15.232 -7.842 -3.477 1.00 0.00 C ATOM 1184 NE ARG A 83 -16.267 -7.243 -2.609 1.00 0.00 N ATOM 1185 CZ ARG A 83 -17.492 -6.899 -2.987 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -17.906 -7.023 -4.232 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -18.336 -6.419 -2.098 1.00 0.00 N ATOM 0 H ARG A 83 -12.468 -5.524 -0.345 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.334 -7.002 -2.641 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.031 -5.638 -2.281 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.326 -5.836 -3.874 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -13.128 -8.296 -3.488 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.808 -8.106 -1.884 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.266 -7.368 -4.458 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -15.455 -8.899 -3.626 1.00 0.00 H new ATOM 0 HE ARG A 83 -16.018 -7.079 -1.633 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -17.277 -7.394 -4.944 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -18.855 -6.748 -4.484 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -18.047 -6.313 -1.126 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -19.279 -6.153 -2.382 1.00 0.00 H new ATOM 1198 N GLU A 84 -10.600 -4.887 -3.793 1.00 0.00 N ATOM 1199 CA GLU A 84 -9.872 -3.724 -4.309 1.00 0.00 C ATOM 1200 C GLU A 84 -10.869 -2.628 -4.730 1.00 0.00 C ATOM 1201 O GLU A 84 -11.752 -2.862 -5.559 1.00 0.00 O ATOM 1202 CB GLU A 84 -8.930 -4.140 -5.454 1.00 0.00 C ATOM 1203 CG GLU A 84 -8.348 -2.955 -6.244 1.00 0.00 C ATOM 1204 CD GLU A 84 -7.328 -3.369 -7.319 1.00 0.00 C ATOM 1205 OE1 GLU A 84 -6.998 -4.571 -7.460 1.00 0.00 O ATOM 1206 OE2 GLU A 84 -6.830 -2.483 -8.049 1.00 0.00 O ATOM 0 H GLU A 84 -10.563 -5.702 -4.405 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.242 -3.308 -3.523 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.109 -4.727 -5.041 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.473 -4.790 -6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.164 -2.412 -6.720 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.870 -2.266 -5.548 1.00 0.00 H new ATOM 1211 N VAL A 85 -10.700 -1.435 -4.156 1.00 0.00 N ATOM 1212 CA VAL A 85 -11.455 -0.211 -4.505 1.00 0.00 C ATOM 1213 C VAL A 85 -10.671 0.714 -5.443 1.00 0.00 C ATOM 1214 O VAL A 85 -11.277 1.473 -6.194 1.00 0.00 O ATOM 1215 CB VAL A 85 -11.903 0.567 -3.242 1.00 0.00 C ATOM 1216 CG1 VAL A 85 -13.034 -0.185 -2.535 1.00 0.00 C ATOM 1217 CG2 VAL A 85 -10.766 0.820 -2.236 1.00 0.00 C ATOM 0 H VAL A 85 -10.017 -1.280 -3.414 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.344 -0.549 -5.038 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.243 1.541 -3.595 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -13.342 0.370 -1.649 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.882 -0.287 -3.212 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.684 -1.174 -2.240 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.155 1.369 -1.378 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.357 -0.133 -1.902 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.980 1.404 -2.715 1.00 0.00 H new ATOM 1227 N ALA A 86 -9.334 0.616 -5.431 1.00 0.00 N ATOM 1228 CA ALA A 86 -8.401 1.404 -6.239 1.00 0.00 C ATOM 1229 C ALA A 86 -6.972 0.880 -6.095 1.00 0.00 C ATOM 1230 O ALA A 86 -6.698 0.009 -5.266 1.00 0.00 O ATOM 1231 CB ALA A 86 -8.454 2.861 -5.764 1.00 0.00 C ATOM 0 H ALA A 86 -8.853 -0.049 -4.826 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.689 1.328 -7.287 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.764 3.462 -6.356 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.466 3.246 -5.885 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.169 2.912 -4.713 1.00 0.00 H new ATOM 1237 N ARG A 87 -6.029 1.509 -6.797 1.00 0.00 N ATOM 1238 CA ARG A 87 -4.598 1.404 -6.522 1.00 0.00 C ATOM 1239 C ARG A 87 -3.842 2.628 -7.046 1.00 0.00 C ATOM 1240 O ARG A 87 -4.299 3.291 -7.978 1.00 0.00 O ATOM 1241 CB ARG A 87 -4.046 0.084 -7.066 1.00 0.00 C ATOM 1242 CG ARG A 87 -4.099 -0.043 -8.592 1.00 0.00 C ATOM 1243 CD ARG A 87 -3.344 -1.295 -9.016 1.00 0.00 C ATOM 1244 NE ARG A 87 -4.127 -2.528 -8.812 1.00 0.00 N ATOM 1245 CZ ARG A 87 -3.738 -3.769 -9.057 1.00 0.00 C ATOM 1246 NH1 ARG A 87 -2.557 -4.061 -9.566 1.00 0.00 N ATOM 1247 NH2 ARG A 87 -4.549 -4.765 -8.799 1.00 0.00 N ATOM 0 H ARG A 87 -6.244 2.117 -7.587 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.446 1.393 -5.443 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.012 -0.025 -6.740 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.607 -0.740 -6.625 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.134 -0.096 -8.929 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.657 0.838 -9.058 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.073 -1.212 -10.068 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.414 -1.362 -8.451 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.070 -2.412 -8.442 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.899 -3.314 -9.788 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.302 -5.034 -9.737 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.475 -4.582 -8.411 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.255 -5.724 -8.986 1.00 0.00 H new ATOM 1258 N VAL A 88 -2.685 2.907 -6.460 1.00 0.00 N ATOM 1259 CA VAL A 88 -1.760 3.958 -6.919 1.00 0.00 C ATOM 1260 C VAL A 88 -0.450 3.270 -7.322 1.00 0.00 C ATOM 1261 O VAL A 88 0.185 2.609 -6.501 1.00 0.00 O ATOM 1262 CB VAL A 88 -1.545 5.021 -5.817 1.00 0.00 C ATOM 1263 CG1 VAL A 88 -0.408 6.007 -6.156 1.00 0.00 C ATOM 1264 CG2 VAL A 88 -2.800 5.852 -5.475 1.00 0.00 C ATOM 0 H VAL A 88 -2.349 2.406 -5.638 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.171 4.492 -7.776 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.282 4.421 -4.946 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.301 6.731 -5.348 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.526 5.458 -6.277 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.644 6.530 -7.083 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.558 6.572 -4.693 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.139 6.383 -6.365 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.591 5.189 -5.125 1.00 0.00 H new ATOM 1274 N VAL A 89 -0.070 3.436 -8.591 1.00 0.00 N ATOM 1275 CA VAL A 89 1.195 2.950 -9.180 1.00 0.00 C ATOM 1276 C VAL A 89 2.098 4.167 -9.403 1.00 0.00 C ATOM 1277 O VAL A 89 1.655 5.133 -10.021 1.00 0.00 O ATOM 1278 CB VAL A 89 0.943 2.240 -10.543 1.00 0.00 C ATOM 1279 CG1 VAL A 89 2.232 1.803 -11.260 1.00 0.00 C ATOM 1280 CG2 VAL A 89 -0.009 1.034 -10.429 1.00 0.00 C ATOM 0 H VAL A 89 -0.652 3.930 -9.268 1.00 0.00 H new ATOM 0 HA VAL A 89 1.658 2.228 -8.507 1.00 0.00 H new ATOM 0 HB VAL A 89 0.463 3.008 -11.150 1.00 0.00 H new ATOM 0 HG11 VAL A 89 1.978 1.316 -12.201 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.852 2.677 -11.459 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.781 1.105 -10.628 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.144 0.583 -11.412 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.417 0.298 -9.747 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.974 1.367 -10.047 1.00 0.00 H new ATOM 1290 N ARG A 90 3.343 4.123 -8.912 1.00 0.00 N ATOM 1291 CA ARG A 90 4.364 5.170 -9.075 1.00 0.00 C ATOM 1292 C ARG A 90 3.887 6.565 -8.568 1.00 0.00 C ATOM 1293 O ARG A 90 3.451 7.387 -9.383 1.00 0.00 O ATOM 1294 CB ARG A 90 4.843 5.211 -10.543 1.00 0.00 C ATOM 1295 CG ARG A 90 6.163 5.986 -10.689 1.00 0.00 C ATOM 1296 CD ARG A 90 6.540 6.164 -12.159 1.00 0.00 C ATOM 1297 NE ARG A 90 7.833 6.863 -12.291 1.00 0.00 N ATOM 1298 CZ ARG A 90 8.500 7.083 -13.418 1.00 0.00 C ATOM 1299 NH1 ARG A 90 8.043 6.709 -14.593 1.00 0.00 N ATOM 1300 NH2 ARG A 90 9.667 7.689 -13.381 1.00 0.00 N ATOM 0 H ARG A 90 3.681 3.328 -8.370 1.00 0.00 H new ATOM 0 HA ARG A 90 5.213 4.912 -8.442 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.976 4.194 -10.911 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.077 5.677 -11.163 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.069 6.963 -10.214 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.959 5.454 -10.168 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.598 5.190 -12.644 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.762 6.730 -12.672 1.00 0.00 H new ATOM 0 HE ARG A 90 8.256 7.212 -11.431 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.145 6.231 -14.662 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.587 6.897 -15.435 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.058 7.989 -12.488 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.181 7.859 -14.245 1.00 0.00 H new ATOM 1311 N PRO A 91 3.942 6.868 -7.251 1.00 0.00 N ATOM 1312 CA PRO A 91 3.505 8.159 -6.706 1.00 0.00 C ATOM 1313 C PRO A 91 4.370 9.311 -7.246 1.00 0.00 C ATOM 1314 O PRO A 91 5.599 9.259 -7.157 1.00 0.00 O ATOM 1315 CB PRO A 91 3.615 8.043 -5.191 1.00 0.00 C ATOM 1316 CG PRO A 91 4.636 6.926 -4.970 1.00 0.00 C ATOM 1317 CD PRO A 91 4.430 6.014 -6.181 1.00 0.00 C ATOM 0 HA PRO A 91 2.482 8.386 -7.005 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.947 8.980 -4.744 1.00 0.00 H new ATOM 0 HB3 PRO A 91 2.653 7.798 -4.740 1.00 0.00 H new ATOM 0 HG2 PRO A 91 5.654 7.314 -4.928 1.00 0.00 H new ATOM 0 HG3 PRO A 91 4.457 6.397 -4.034 1.00 0.00 H new ATOM 0 HD2 PRO A 91 5.363 5.528 -6.466 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.714 5.223 -5.956 1.00 0.00 H new ATOM 1322 N GLY A 92 3.723 10.348 -7.797 1.00 0.00 N ATOM 1323 CA GLY A 92 4.407 11.516 -8.388 1.00 0.00 C ATOM 1324 C GLY A 92 4.675 12.649 -7.390 1.00 0.00 C ATOM 1325 O GLY A 92 5.694 13.334 -7.496 1.00 0.00 O ATOM 0 H GLY A 92 2.706 10.404 -7.847 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.355 11.191 -8.817 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.802 11.903 -9.208 1.00 0.00 H new ATOM 1329 N SER A 93 3.781 12.828 -6.420 1.00 0.00 N ATOM 1330 CA SER A 93 3.837 13.831 -5.342 1.00 0.00 C ATOM 1331 C SER A 93 2.697 13.592 -4.344 1.00 0.00 C ATOM 1332 O SER A 93 1.708 12.927 -4.671 1.00 0.00 O ATOM 1333 CB SER A 93 3.746 15.267 -5.893 1.00 0.00 C ATOM 1334 OG SER A 93 4.040 16.216 -4.878 1.00 0.00 O ATOM 0 H SER A 93 2.946 12.246 -6.356 1.00 0.00 H new ATOM 0 HA SER A 93 4.798 13.722 -4.840 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.442 15.388 -6.723 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.746 15.447 -6.287 1.00 0.00 H new ATOM 0 HG SER A 93 3.978 17.121 -5.249 1.00 0.00 H new ATOM 1339 N ALA A 94 2.792 14.175 -3.145 1.00 0.00 N ATOM 1340 CA ALA A 94 1.759 14.085 -2.113 1.00 0.00 C ATOM 1341 C ALA A 94 0.385 14.522 -2.639 1.00 0.00 C ATOM 1342 O ALA A 94 -0.609 13.875 -2.333 1.00 0.00 O ATOM 1343 CB ALA A 94 2.221 14.912 -0.903 1.00 0.00 C ATOM 0 H ALA A 94 3.600 14.730 -2.862 1.00 0.00 H new ATOM 0 HA ALA A 94 1.628 13.047 -1.807 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.467 14.861 -0.118 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.163 14.512 -0.527 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.362 15.950 -1.204 1.00 0.00 H new ATOM 1349 N SER A 95 0.323 15.511 -3.525 1.00 0.00 N ATOM 1350 CA SER A 95 -0.926 15.958 -4.165 1.00 0.00 C ATOM 1351 C SER A 95 -1.621 14.859 -4.996 1.00 0.00 C ATOM 1352 O SER A 95 -2.827 14.935 -5.209 1.00 0.00 O ATOM 1353 CB SER A 95 -0.655 17.181 -5.055 1.00 0.00 C ATOM 1354 OG SER A 95 0.051 18.204 -4.357 1.00 0.00 O ATOM 0 H SER A 95 1.144 16.036 -3.827 1.00 0.00 H new ATOM 0 HA SER A 95 -1.607 16.219 -3.355 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.079 16.874 -5.928 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.601 17.579 -5.422 1.00 0.00 H new ATOM 0 HG SER A 95 0.205 18.963 -4.957 1.00 0.00 H new ATOM 1359 N VAL A 96 -0.901 13.824 -5.447 1.00 0.00 N ATOM 1360 CA VAL A 96 -1.443 12.648 -6.158 1.00 0.00 C ATOM 1361 C VAL A 96 -1.794 11.538 -5.162 1.00 0.00 C ATOM 1362 O VAL A 96 -2.846 10.908 -5.277 1.00 0.00 O ATOM 1363 CB VAL A 96 -0.435 12.118 -7.212 1.00 0.00 C ATOM 1364 CG1 VAL A 96 -0.981 10.900 -7.972 1.00 0.00 C ATOM 1365 CG2 VAL A 96 -0.051 13.209 -8.225 1.00 0.00 C ATOM 0 H VAL A 96 0.111 13.776 -5.325 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.349 12.959 -6.678 1.00 0.00 H new ATOM 0 HB VAL A 96 0.452 11.815 -6.655 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.242 10.563 -8.699 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.190 10.095 -7.267 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.900 11.176 -8.490 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.656 12.802 -8.948 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.945 13.553 -8.746 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.408 14.047 -7.701 1.00 0.00 H new ATOM 1375 N LEU A 97 -0.933 11.308 -4.159 1.00 0.00 N ATOM 1376 CA LEU A 97 -1.149 10.266 -3.153 1.00 0.00 C ATOM 1377 C LEU A 97 -2.324 10.607 -2.217 1.00 0.00 C ATOM 1378 O LEU A 97 -3.246 9.813 -2.079 1.00 0.00 O ATOM 1379 CB LEU A 97 0.174 10.006 -2.402 1.00 0.00 C ATOM 1380 CG LEU A 97 0.561 8.506 -2.427 1.00 0.00 C ATOM 1381 CD1 LEU A 97 1.904 8.275 -1.758 1.00 0.00 C ATOM 1382 CD2 LEU A 97 -0.542 7.701 -1.740 1.00 0.00 C ATOM 0 H LEU A 97 -0.072 11.839 -4.026 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.442 9.339 -3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.971 10.595 -2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.078 10.340 -1.369 1.00 0.00 H new ATOM 0 HG LEU A 97 0.660 8.176 -3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.149 7.213 -1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.674 8.841 -2.282 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.855 8.604 -0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.281 6.643 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.649 8.037 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.483 7.848 -2.269 1.00 0.00 H new ATOM 1393 N GLU A 98 -2.337 11.817 -1.653 1.00 0.00 N ATOM 1394 CA GLU A 98 -3.436 12.347 -0.833 1.00 0.00 C ATOM 1395 C GLU A 98 -4.785 12.335 -1.574 1.00 0.00 C ATOM 1396 O GLU A 98 -5.796 11.967 -0.971 1.00 0.00 O ATOM 1397 CB GLU A 98 -3.124 13.784 -0.375 1.00 0.00 C ATOM 1398 CG GLU A 98 -1.947 13.924 0.600 1.00 0.00 C ATOM 1399 CD GLU A 98 -1.804 15.392 1.035 1.00 0.00 C ATOM 1400 OE1 GLU A 98 -1.127 16.181 0.331 1.00 0.00 O ATOM 1401 OE2 GLU A 98 -2.368 15.769 2.091 1.00 0.00 O ATOM 0 H GLU A 98 -1.564 12.475 -1.755 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.522 11.689 0.032 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.918 14.391 -1.256 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.015 14.198 0.096 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.108 13.291 1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.027 13.584 0.125 1.00 0.00 H new ATOM 1406 N GLU A 99 -4.799 12.693 -2.867 1.00 0.00 N ATOM 1407 CA GLU A 99 -5.995 12.682 -3.723 1.00 0.00 C ATOM 1408 C GLU A 99 -6.643 11.289 -3.806 1.00 0.00 C ATOM 1409 O GLU A 99 -7.866 11.172 -3.838 1.00 0.00 O ATOM 1410 CB GLU A 99 -5.616 13.174 -5.131 1.00 0.00 C ATOM 1411 CG GLU A 99 -6.717 12.963 -6.181 1.00 0.00 C ATOM 1412 CD GLU A 99 -6.492 13.830 -7.424 1.00 0.00 C ATOM 1413 OE1 GLU A 99 -6.953 15.000 -7.442 1.00 0.00 O ATOM 1414 OE2 GLU A 99 -5.875 13.345 -8.402 1.00 0.00 O ATOM 0 H GLU A 99 -3.961 13.005 -3.357 1.00 0.00 H new ATOM 0 HA GLU A 99 -6.732 13.350 -3.276 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.374 14.236 -5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -4.714 12.656 -5.456 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.746 11.913 -6.471 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.687 13.200 -5.743 1.00 0.00 H new ATOM 1419 N ALA A 100 -5.833 10.230 -3.834 1.00 0.00 N ATOM 1420 CA ALA A 100 -6.332 8.867 -3.778 1.00 0.00 C ATOM 1421 C ALA A 100 -6.763 8.502 -2.348 1.00 0.00 C ATOM 1422 O ALA A 100 -7.864 7.993 -2.164 1.00 0.00 O ATOM 1423 CB ALA A 100 -5.258 7.933 -4.333 1.00 0.00 C ATOM 0 H ALA A 100 -4.817 10.299 -3.896 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.225 8.763 -4.394 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.617 6.904 -4.298 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.037 8.205 -5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.353 8.022 -3.732 1.00 0.00 H new ATOM 1429 N PHE A 101 -5.969 8.830 -1.324 1.00 0.00 N ATOM 1430 CA PHE A 101 -6.285 8.482 0.065 1.00 0.00 C ATOM 1431 C PHE A 101 -7.664 8.997 0.484 1.00 0.00 C ATOM 1432 O PHE A 101 -8.498 8.206 0.927 1.00 0.00 O ATOM 1433 CB PHE A 101 -5.193 9.005 1.002 1.00 0.00 C ATOM 1434 CG PHE A 101 -4.176 7.952 1.388 1.00 0.00 C ATOM 1435 CD1 PHE A 101 -3.236 7.456 0.459 1.00 0.00 C ATOM 1436 CD2 PHE A 101 -4.178 7.447 2.704 1.00 0.00 C ATOM 1437 CE1 PHE A 101 -2.296 6.505 0.868 1.00 0.00 C ATOM 1438 CE2 PHE A 101 -3.238 6.491 3.109 1.00 0.00 C ATOM 1439 CZ PHE A 101 -2.293 6.030 2.184 1.00 0.00 C ATOM 0 H PHE A 101 -5.093 9.342 -1.433 1.00 0.00 H new ATOM 0 HA PHE A 101 -6.318 7.395 0.138 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.679 9.836 0.520 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -5.658 9.399 1.906 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.243 7.809 -0.562 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -4.914 7.802 3.410 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -1.567 6.134 0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.242 6.114 4.121 1.00 0.00 H new ATOM 0 HZ PHE A 101 -1.556 5.302 2.489 1.00 0.00 H new ATOM 1448 N GLU A 102 -7.943 10.290 0.275 1.00 0.00 N ATOM 1449 CA GLU A 102 -9.257 10.870 0.576 1.00 0.00 C ATOM 1450 C GLU A 102 -10.401 10.238 -0.229 1.00 0.00 C ATOM 1451 O GLU A 102 -11.515 10.097 0.280 1.00 0.00 O ATOM 1452 CB GLU A 102 -9.263 12.385 0.381 1.00 0.00 C ATOM 1453 CG GLU A 102 -8.833 12.909 -0.992 1.00 0.00 C ATOM 1454 CD GLU A 102 -9.965 13.638 -1.732 1.00 0.00 C ATOM 1455 OE1 GLU A 102 -10.130 14.865 -1.522 1.00 0.00 O ATOM 1456 OE2 GLU A 102 -10.696 12.999 -2.524 1.00 0.00 O ATOM 0 H GLU A 102 -7.271 10.957 -0.104 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.436 10.643 1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -10.271 12.749 0.583 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.608 12.826 1.133 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.989 13.588 -0.869 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.485 12.075 -1.601 1.00 0.00 H new ATOM 1461 N SER A 103 -10.139 9.808 -1.461 1.00 0.00 N ATOM 1462 CA SER A 103 -11.147 9.158 -2.295 1.00 0.00 C ATOM 1463 C SER A 103 -11.513 7.748 -1.782 1.00 0.00 C ATOM 1464 O SER A 103 -12.667 7.327 -1.897 1.00 0.00 O ATOM 1465 CB SER A 103 -10.653 9.124 -3.754 1.00 0.00 C ATOM 1466 OG SER A 103 -11.663 8.671 -4.641 1.00 0.00 O ATOM 0 H SER A 103 -9.227 9.900 -1.908 1.00 0.00 H new ATOM 0 HA SER A 103 -12.067 9.741 -2.243 1.00 0.00 H new ATOM 0 HB2 SER A 103 -10.328 10.121 -4.051 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.784 8.471 -3.828 1.00 0.00 H new ATOM 0 HG SER A 103 -11.315 8.664 -5.557 1.00 0.00 H new ATOM 1471 N LEU A 104 -10.569 7.027 -1.159 1.00 0.00 N ATOM 1472 CA LEU A 104 -10.775 5.651 -0.690 1.00 0.00 C ATOM 1473 C LEU A 104 -11.083 5.547 0.809 1.00 0.00 C ATOM 1474 O LEU A 104 -11.768 4.613 1.224 1.00 0.00 O ATOM 1475 CB LEU A 104 -9.576 4.771 -1.085 1.00 0.00 C ATOM 1476 CG LEU A 104 -9.463 4.413 -2.587 1.00 0.00 C ATOM 1477 CD1 LEU A 104 -10.823 4.152 -3.257 1.00 0.00 C ATOM 1478 CD2 LEU A 104 -8.702 5.451 -3.414 1.00 0.00 C ATOM 0 H LEU A 104 -9.634 7.386 -0.966 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.670 5.280 -1.190 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.661 5.281 -0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.627 3.844 -0.514 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.888 3.487 -2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.670 3.907 -4.308 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.320 3.320 -2.759 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.444 5.044 -3.179 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.665 5.130 -4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.211 6.413 -3.348 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.687 5.551 -3.028 1.00 0.00 H new ATOM 1489 N VAL A 105 -10.647 6.523 1.604 1.00 0.00 N ATOM 1490 CA VAL A 105 -11.065 6.682 3.010 1.00 0.00 C ATOM 1491 C VAL A 105 -12.543 7.105 3.118 1.00 0.00 C ATOM 1492 O VAL A 105 -13.179 6.890 4.148 1.00 0.00 O ATOM 1493 CB VAL A 105 -10.129 7.682 3.733 1.00 0.00 C ATOM 1494 CG1 VAL A 105 -10.612 9.134 3.653 1.00 0.00 C ATOM 1495 CG2 VAL A 105 -9.912 7.299 5.192 1.00 0.00 C ATOM 0 H VAL A 105 -9.987 7.236 1.294 1.00 0.00 H new ATOM 0 HA VAL A 105 -10.980 5.715 3.505 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.181 7.620 3.198 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.910 9.780 4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.674 9.440 2.609 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -11.596 9.216 4.114 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.250 8.025 5.664 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -10.870 7.289 5.712 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.461 6.308 5.245 1.00 0.00 H new ATOM 1505 N GLY A 106 -13.080 7.727 2.056 1.00 0.00 N ATOM 1506 CA GLY A 106 -14.470 8.172 1.938 1.00 0.00 C ATOM 1507 C GLY A 106 -14.693 9.669 2.186 1.00 0.00 C ATOM 1508 O GLY A 106 -15.800 10.165 1.953 1.00 0.00 O ATOM 0 H GLY A 106 -12.531 7.940 1.223 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -14.831 7.926 0.939 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.078 7.607 2.645 1.00 0.00 H new ATOM 1512 N GLU A 107 -13.668 10.407 2.628 1.00 0.00 N ATOM 1513 CA GLU A 107 -13.750 11.850 2.889 1.00 0.00 C ATOM 1514 C GLU A 107 -14.023 12.651 1.600 1.00 0.00 C ATOM 1515 O GLU A 107 -14.780 13.624 1.624 1.00 0.00 O ATOM 1516 CB GLU A 107 -12.454 12.322 3.573 1.00 0.00 C ATOM 1517 CG GLU A 107 -12.440 12.026 5.080 1.00 0.00 C ATOM 1518 CD GLU A 107 -13.433 12.909 5.851 1.00 0.00 C ATOM 1519 OE1 GLU A 107 -13.141 14.107 6.076 1.00 0.00 O ATOM 1520 OE2 GLU A 107 -14.519 12.413 6.242 1.00 0.00 O ATOM 0 H GLU A 107 -12.746 10.014 2.817 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.593 12.033 3.555 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -11.601 11.834 3.103 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -12.334 13.394 3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -12.684 10.977 5.245 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.435 12.185 5.471 1.00 0.00 H new ATOM 1525 N GLY A 108 -13.516 12.175 0.462 1.00 0.00 N ATOM 1526 CA GLY A 108 -13.754 12.738 -0.878 1.00 0.00 C ATOM 1527 C GLY A 108 -15.178 12.515 -1.412 1.00 0.00 C ATOM 1528 O GLY A 108 -15.492 12.932 -2.525 1.00 0.00 O ATOM 0 H GLY A 108 -12.906 11.358 0.442 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -13.552 13.809 -0.851 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -13.043 12.297 -1.577 1.00 0.00 H new