USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 725 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 45 TYR OH : rot 180:sc= 0.046 USER MOD Set 1.2: A 56 TYR OH : rot -81:sc= 0.29 USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0903 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00203 USER MOD Single : A 8 LYS NZ :NH3+ -166:sc=-0.00151 (180deg=-0.132) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 70:sc= 1.15 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.997 K(o=-1,f=-2.4!) USER MOD Single : A 20 GLN : amide:sc= -0.0593 K(o=-0.059,f=-1.6!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.5 K(o=-0.5,f=-3.5!) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 170:sc= -0.0209 (180deg=-0.161) USER MOD Single : A 39 GLN : amide:sc= -4.03 K(o=-4,f=-7!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 44:sc= 0.851 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot -60:sc= 1.16 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HE2:sc= -0.883 K(o=-0.88,f=-4) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 0:sc= 0.00836 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 79 CYS SG : rot 78:sc= -1.74 USER MOD Single : A 83 HIS : no HE2:sc= -5.18! C(o=-5.2!,f=-5.5!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 31.746 -30.466 1.525 1.00 0.00 N ATOM 2 CA GLY A 1 30.807 -29.966 2.567 1.00 0.00 C ATOM 3 C GLY A 1 31.077 -30.573 3.930 1.00 0.00 C ATOM 4 O GLY A 1 31.966 -31.411 4.078 1.00 0.00 O ATOM 0 H1 GLY A 1 32.348 -29.684 1.196 1.00 0.00 H new ATOM 0 H2 GLY A 1 32.343 -31.217 1.927 1.00 0.00 H new ATOM 0 H3 GLY A 1 31.204 -30.846 0.723 1.00 0.00 H new ATOM 0 HA2 GLY A 1 30.887 -28.881 2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 1 29.783 -30.192 2.268 1.00 0.00 H new ATOM 10 N SER A 2 30.308 -30.149 4.927 1.00 0.00 N ATOM 11 CA SER A 2 30.468 -30.655 6.285 1.00 0.00 C ATOM 12 C SER A 2 29.112 -30.885 6.943 1.00 0.00 C ATOM 13 O SER A 2 28.093 -30.366 6.488 1.00 0.00 O ATOM 14 CB SER A 2 31.294 -29.677 7.122 1.00 0.00 C ATOM 15 OG SER A 2 32.568 -29.457 6.539 1.00 0.00 O ATOM 0 H SER A 2 29.567 -29.456 4.820 1.00 0.00 H new ATOM 0 HA SER A 2 30.992 -31.609 6.231 1.00 0.00 H new ATOM 0 HB2 SER A 2 30.762 -28.730 7.210 1.00 0.00 H new ATOM 0 HB3 SER A 2 31.415 -30.070 8.132 1.00 0.00 H new ATOM 0 HG SER A 2 33.076 -28.827 7.092 1.00 0.00 H new ATOM 21 N SER A 3 29.107 -31.668 8.018 1.00 0.00 N ATOM 22 CA SER A 3 27.875 -31.967 8.740 1.00 0.00 C ATOM 23 C SER A 3 28.081 -31.834 10.245 1.00 0.00 C ATOM 24 O SER A 3 27.396 -31.056 10.910 1.00 0.00 O ATOM 25 CB SER A 3 27.392 -33.378 8.402 1.00 0.00 C ATOM 26 OG SER A 3 27.322 -33.571 6.999 1.00 0.00 O ATOM 0 H SER A 3 29.941 -32.106 8.408 1.00 0.00 H new ATOM 0 HA SER A 3 27.117 -31.247 8.431 1.00 0.00 H new ATOM 0 HB2 SER A 3 28.069 -34.112 8.840 1.00 0.00 H new ATOM 0 HB3 SER A 3 26.410 -33.545 8.845 1.00 0.00 H new ATOM 0 HG SER A 3 27.012 -34.481 6.809 1.00 0.00 H new ATOM 32 N GLY A 4 29.029 -32.599 10.778 1.00 0.00 N ATOM 33 CA GLY A 4 29.308 -32.551 12.200 1.00 0.00 C ATOM 34 C GLY A 4 28.511 -33.577 12.983 1.00 0.00 C ATOM 35 O GLY A 4 27.365 -33.871 12.644 1.00 0.00 O ATOM 0 H GLY A 4 29.608 -33.251 10.249 1.00 0.00 H new ATOM 0 HA2 GLY A 4 30.372 -32.720 12.364 1.00 0.00 H new ATOM 0 HA3 GLY A 4 29.082 -31.554 12.578 1.00 0.00 H new ATOM 39 N SER A 5 29.121 -34.123 14.030 1.00 0.00 N ATOM 40 CA SER A 5 28.460 -35.123 14.862 1.00 0.00 C ATOM 41 C SER A 5 27.969 -34.505 16.168 1.00 0.00 C ATOM 42 O SER A 5 28.085 -33.298 16.377 1.00 0.00 O ATOM 43 CB SER A 5 29.415 -36.281 15.159 1.00 0.00 C ATOM 44 OG SER A 5 29.276 -37.314 14.200 1.00 0.00 O ATOM 0 H SER A 5 30.070 -33.891 14.322 1.00 0.00 H new ATOM 0 HA SER A 5 27.598 -35.504 14.314 1.00 0.00 H new ATOM 0 HB2 SER A 5 30.443 -35.918 15.161 1.00 0.00 H new ATOM 0 HB3 SER A 5 29.215 -36.676 16.155 1.00 0.00 H new ATOM 0 HG SER A 5 29.898 -38.042 14.410 1.00 0.00 H new ATOM 50 N SER A 6 27.422 -35.343 17.043 1.00 0.00 N ATOM 51 CA SER A 6 26.914 -34.879 18.330 1.00 0.00 C ATOM 52 C SER A 6 25.797 -33.857 18.137 1.00 0.00 C ATOM 53 O SER A 6 26.055 -32.682 17.875 1.00 0.00 O ATOM 54 CB SER A 6 28.045 -34.266 19.156 1.00 0.00 C ATOM 55 OG SER A 6 29.273 -34.929 18.912 1.00 0.00 O ATOM 0 H SER A 6 27.319 -36.345 16.885 1.00 0.00 H new ATOM 0 HA SER A 6 26.508 -35.738 18.864 1.00 0.00 H new ATOM 0 HB2 SER A 6 28.145 -33.208 18.913 1.00 0.00 H new ATOM 0 HB3 SER A 6 27.800 -34.327 20.216 1.00 0.00 H new ATOM 0 HG SER A 6 29.980 -34.517 19.451 1.00 0.00 H new ATOM 61 N GLY A 7 24.556 -34.313 18.268 1.00 0.00 N ATOM 62 CA GLY A 7 23.419 -33.427 18.105 1.00 0.00 C ATOM 63 C GLY A 7 22.140 -34.015 18.669 1.00 0.00 C ATOM 64 O GLY A 7 21.509 -34.863 18.038 1.00 0.00 O ATOM 0 H GLY A 7 24.317 -35.281 18.484 1.00 0.00 H new ATOM 0 HA2 GLY A 7 23.628 -32.478 18.599 1.00 0.00 H new ATOM 0 HA3 GLY A 7 23.280 -33.211 17.046 1.00 0.00 H new ATOM 68 N LYS A 8 21.756 -33.564 19.858 1.00 0.00 N ATOM 69 CA LYS A 8 20.544 -34.050 20.506 1.00 0.00 C ATOM 70 C LYS A 8 19.355 -33.151 20.182 1.00 0.00 C ATOM 71 O LYS A 8 19.484 -32.178 19.440 1.00 0.00 O ATOM 72 CB LYS A 8 20.743 -34.124 22.021 1.00 0.00 C ATOM 73 CG LYS A 8 21.423 -35.403 22.484 1.00 0.00 C ATOM 74 CD LYS A 8 22.836 -35.138 22.979 1.00 0.00 C ATOM 75 CE LYS A 8 23.427 -36.364 23.657 1.00 0.00 C ATOM 76 NZ LYS A 8 22.779 -36.641 24.969 1.00 0.00 N ATOM 0 H LYS A 8 22.267 -32.862 20.393 1.00 0.00 H new ATOM 0 HA LYS A 8 20.336 -35.050 20.125 1.00 0.00 H new ATOM 0 HB2 LYS A 8 21.338 -33.269 22.343 1.00 0.00 H new ATOM 0 HB3 LYS A 8 19.773 -34.040 22.511 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.837 -35.859 23.282 1.00 0.00 H new ATOM 0 HG3 LYS A 8 21.453 -36.118 21.662 1.00 0.00 H new ATOM 0 HD2 LYS A 8 23.468 -34.845 22.140 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.827 -34.302 23.679 1.00 0.00 H new ATOM 0 HE2 LYS A 8 23.312 -37.230 23.005 1.00 0.00 H new ATOM 0 HE3 LYS A 8 24.497 -36.217 23.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 23.354 -37.324 25.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 22.700 -35.757 25.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.830 -37.036 24.811 1.00 0.00 H new ATOM 90 N SER A 9 18.197 -33.485 20.743 1.00 0.00 N ATOM 91 CA SER A 9 16.985 -32.708 20.515 1.00 0.00 C ATOM 92 C SER A 9 16.322 -32.332 21.839 1.00 0.00 C ATOM 93 O SER A 9 15.174 -32.696 22.095 1.00 0.00 O ATOM 94 CB SER A 9 16.006 -33.497 19.642 1.00 0.00 C ATOM 95 OG SER A 9 16.590 -33.831 18.395 1.00 0.00 O ATOM 0 H SER A 9 18.073 -34.289 21.359 1.00 0.00 H new ATOM 0 HA SER A 9 17.262 -31.790 19.997 1.00 0.00 H new ATOM 0 HB2 SER A 9 15.703 -34.407 20.161 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.104 -32.908 19.478 1.00 0.00 H new ATOM 0 HG SER A 9 15.945 -34.336 17.857 1.00 0.00 H new ATOM 101 N PRO A 10 17.040 -31.593 22.702 1.00 0.00 N ATOM 102 CA PRO A 10 16.517 -31.169 24.005 1.00 0.00 C ATOM 103 C PRO A 10 15.409 -30.129 23.871 1.00 0.00 C ATOM 104 O PRO A 10 14.893 -29.894 22.779 1.00 0.00 O ATOM 105 CB PRO A 10 17.738 -30.563 24.701 1.00 0.00 C ATOM 106 CG PRO A 10 18.629 -30.127 23.590 1.00 0.00 C ATOM 107 CD PRO A 10 18.417 -31.116 22.477 1.00 0.00 C ATOM 0 HA PRO A 10 16.067 -31.997 24.553 1.00 0.00 H new ATOM 0 HB2 PRO A 10 17.456 -29.723 25.335 1.00 0.00 H new ATOM 0 HB3 PRO A 10 18.232 -31.294 25.341 1.00 0.00 H new ATOM 0 HG2 PRO A 10 18.382 -29.116 23.266 1.00 0.00 H new ATOM 0 HG3 PRO A 10 19.672 -30.115 23.908 1.00 0.00 H new ATOM 0 HD2 PRO A 10 18.526 -30.649 21.498 1.00 0.00 H new ATOM 0 HD3 PRO A 10 19.138 -31.933 22.522 1.00 0.00 H new ATOM 115 N SER A 11 15.049 -29.509 24.991 1.00 0.00 N ATOM 116 CA SER A 11 14.003 -28.494 24.999 1.00 0.00 C ATOM 117 C SER A 11 14.602 -27.094 25.074 1.00 0.00 C ATOM 118 O SER A 11 15.216 -26.724 26.074 1.00 0.00 O ATOM 119 CB SER A 11 13.055 -28.719 26.179 1.00 0.00 C ATOM 120 OG SER A 11 11.955 -29.530 25.803 1.00 0.00 O ATOM 0 H SER A 11 15.466 -29.692 25.903 1.00 0.00 H new ATOM 0 HA SER A 11 13.442 -28.580 24.068 1.00 0.00 H new ATOM 0 HB2 SER A 11 13.596 -29.192 26.999 1.00 0.00 H new ATOM 0 HB3 SER A 11 12.694 -27.759 26.547 1.00 0.00 H new ATOM 0 HG SER A 11 11.365 -29.660 26.575 1.00 0.00 H new ATOM 126 N SER A 12 14.420 -26.320 24.009 1.00 0.00 N ATOM 127 CA SER A 12 14.943 -24.959 23.955 1.00 0.00 C ATOM 128 C SER A 12 14.094 -24.086 23.032 1.00 0.00 C ATOM 129 O SER A 12 13.562 -24.563 22.030 1.00 0.00 O ATOM 130 CB SER A 12 16.397 -24.969 23.476 1.00 0.00 C ATOM 131 OG SER A 12 17.268 -24.483 24.482 1.00 0.00 O ATOM 0 H SER A 12 13.915 -26.611 23.172 1.00 0.00 H new ATOM 0 HA SER A 12 14.902 -24.539 24.960 1.00 0.00 H new ATOM 0 HB2 SER A 12 16.685 -25.983 23.200 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.492 -24.355 22.580 1.00 0.00 H new ATOM 0 HG SER A 12 18.191 -24.501 24.152 1.00 0.00 H new ATOM 137 N PRO A 13 13.954 -22.790 23.361 1.00 0.00 N ATOM 138 CA PRO A 13 13.166 -21.852 22.556 1.00 0.00 C ATOM 139 C PRO A 13 13.586 -21.852 21.090 1.00 0.00 C ATOM 140 O PRO A 13 14.476 -21.103 20.690 1.00 0.00 O ATOM 141 CB PRO A 13 13.460 -20.493 23.195 1.00 0.00 C ATOM 142 CG PRO A 13 13.850 -20.809 24.597 1.00 0.00 C ATOM 143 CD PRO A 13 14.554 -22.136 24.541 1.00 0.00 C ATOM 0 HA PRO A 13 12.108 -22.113 22.550 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.261 -19.973 22.669 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.585 -19.844 23.164 1.00 0.00 H new ATOM 0 HG2 PRO A 13 14.504 -20.037 25.004 1.00 0.00 H new ATOM 0 HG3 PRO A 13 12.974 -20.859 25.244 1.00 0.00 H new ATOM 0 HD2 PRO A 13 15.632 -22.015 24.429 1.00 0.00 H new ATOM 0 HD3 PRO A 13 14.391 -22.717 25.449 1.00 0.00 H new ATOM 151 N SER A 14 12.940 -22.697 20.294 1.00 0.00 N ATOM 152 CA SER A 14 13.247 -22.794 18.872 1.00 0.00 C ATOM 153 C SER A 14 11.975 -22.978 18.051 1.00 0.00 C ATOM 154 O SER A 14 11.357 -24.042 18.076 1.00 0.00 O ATOM 155 CB SER A 14 14.208 -23.957 18.615 1.00 0.00 C ATOM 156 OG SER A 14 14.988 -24.238 19.764 1.00 0.00 O ATOM 0 H SER A 14 12.200 -23.325 20.610 1.00 0.00 H new ATOM 0 HA SER A 14 13.723 -21.863 18.564 1.00 0.00 H new ATOM 0 HB2 SER A 14 13.642 -24.844 18.330 1.00 0.00 H new ATOM 0 HB3 SER A 14 14.862 -23.714 17.778 1.00 0.00 H new ATOM 0 HG SER A 14 14.419 -24.633 20.457 1.00 0.00 H new ATOM 162 N LEU A 15 11.590 -21.934 17.324 1.00 0.00 N ATOM 163 CA LEU A 15 10.392 -21.979 16.495 1.00 0.00 C ATOM 164 C LEU A 15 10.225 -20.683 15.709 1.00 0.00 C ATOM 165 O LEU A 15 10.138 -19.600 16.290 1.00 0.00 O ATOM 166 CB LEU A 15 9.155 -22.226 17.362 1.00 0.00 C ATOM 167 CG LEU A 15 7.965 -22.851 16.631 1.00 0.00 C ATOM 168 CD1 LEU A 15 8.220 -24.326 16.363 1.00 0.00 C ATOM 169 CD2 LEU A 15 6.689 -22.667 17.437 1.00 0.00 C ATOM 0 H LEU A 15 12.091 -21.046 17.293 1.00 0.00 H new ATOM 0 HA LEU A 15 10.501 -22.801 15.787 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.435 -22.876 18.191 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.838 -21.277 17.795 1.00 0.00 H new ATOM 0 HG LEU A 15 7.843 -22.344 15.674 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.364 -24.755 15.843 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.112 -24.435 15.745 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.368 -24.847 17.309 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.853 -23.117 16.902 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.800 -23.148 18.409 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.498 -21.603 17.579 1.00 0.00 H new ATOM 181 N GLY A 16 10.180 -20.800 14.386 1.00 0.00 N ATOM 182 CA GLY A 16 10.024 -19.630 13.543 1.00 0.00 C ATOM 183 C GLY A 16 11.294 -18.805 13.454 1.00 0.00 C ATOM 184 O GLY A 16 11.944 -18.766 12.410 1.00 0.00 O ATOM 0 H GLY A 16 10.249 -21.685 13.883 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.728 -19.944 12.542 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.218 -19.009 13.934 1.00 0.00 H new ATOM 188 N SER A 17 11.646 -18.144 14.553 1.00 0.00 N ATOM 189 CA SER A 17 12.845 -17.315 14.599 1.00 0.00 C ATOM 190 C SER A 17 12.728 -16.133 13.640 1.00 0.00 C ATOM 191 O SER A 17 12.441 -15.010 14.056 1.00 0.00 O ATOM 192 CB SER A 17 14.084 -18.147 14.257 1.00 0.00 C ATOM 193 OG SER A 17 14.722 -18.617 15.433 1.00 0.00 O ATOM 0 H SER A 17 11.117 -18.167 15.425 1.00 0.00 H new ATOM 0 HA SER A 17 12.948 -16.928 15.613 1.00 0.00 H new ATOM 0 HB2 SER A 17 13.797 -18.993 13.632 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.782 -17.544 13.677 1.00 0.00 H new ATOM 0 HG SER A 17 15.509 -19.147 15.189 1.00 0.00 H new ATOM 199 N LEU A 18 12.952 -16.393 12.355 1.00 0.00 N ATOM 200 CA LEU A 18 12.871 -15.350 11.339 1.00 0.00 C ATOM 201 C LEU A 18 12.793 -15.959 9.942 1.00 0.00 C ATOM 202 O LEU A 18 13.816 -16.233 9.315 1.00 0.00 O ATOM 203 CB LEU A 18 14.082 -14.418 11.438 1.00 0.00 C ATOM 204 CG LEU A 18 13.835 -13.115 12.202 1.00 0.00 C ATOM 205 CD1 LEU A 18 14.998 -12.812 13.134 1.00 0.00 C ATOM 206 CD2 LEU A 18 13.613 -11.962 11.234 1.00 0.00 C ATOM 0 H LEU A 18 13.191 -17.316 11.994 1.00 0.00 H new ATOM 0 HA LEU A 18 11.963 -14.773 11.515 1.00 0.00 H new ATOM 0 HB2 LEU A 18 14.897 -14.956 11.922 1.00 0.00 H new ATOM 0 HB3 LEU A 18 14.416 -14.173 10.430 1.00 0.00 H new ATOM 0 HG LEU A 18 12.935 -13.237 12.805 1.00 0.00 H new ATOM 0 HD11 LEU A 18 14.803 -11.882 13.668 1.00 0.00 H new ATOM 0 HD12 LEU A 18 15.111 -13.625 13.851 1.00 0.00 H new ATOM 0 HD13 LEU A 18 15.914 -12.711 12.552 1.00 0.00 H new ATOM 0 HD21 LEU A 18 13.439 -11.044 11.795 1.00 0.00 H new ATOM 0 HD22 LEU A 18 14.494 -11.841 10.604 1.00 0.00 H new ATOM 0 HD23 LEU A 18 12.746 -12.174 10.608 1.00 0.00 H new ATOM 218 N GLN A 19 11.572 -16.168 9.459 1.00 0.00 N ATOM 219 CA GLN A 19 11.360 -16.744 8.137 1.00 0.00 C ATOM 220 C GLN A 19 10.116 -16.157 7.479 1.00 0.00 C ATOM 221 O GLN A 19 9.035 -16.148 8.068 1.00 0.00 O ATOM 222 CB GLN A 19 11.230 -18.265 8.235 1.00 0.00 C ATOM 223 CG GLN A 19 11.032 -18.947 6.891 1.00 0.00 C ATOM 224 CD GLN A 19 9.663 -19.585 6.755 1.00 0.00 C ATOM 225 OE1 GLN A 19 8.681 -18.913 6.439 1.00 0.00 O ATOM 226 NE2 GLN A 19 9.591 -20.889 6.996 1.00 0.00 N ATOM 0 H GLN A 19 10.714 -15.947 9.964 1.00 0.00 H new ATOM 0 HA GLN A 19 12.224 -16.499 7.520 1.00 0.00 H new ATOM 0 HB2 GLN A 19 12.125 -18.668 8.709 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.389 -18.508 8.884 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.169 -18.216 6.094 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.799 -19.710 6.759 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.431 -21.407 7.255 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.696 -21.373 6.922 1.00 0.00 H new ATOM 235 N GLN A 20 10.277 -15.667 6.253 1.00 0.00 N ATOM 236 CA GLN A 20 9.167 -15.078 5.514 1.00 0.00 C ATOM 237 C GLN A 20 8.672 -16.028 4.428 1.00 0.00 C ATOM 238 O GLN A 20 7.473 -16.283 4.312 1.00 0.00 O ATOM 239 CB GLN A 20 9.592 -13.748 4.888 1.00 0.00 C ATOM 240 CG GLN A 20 9.809 -12.639 5.905 1.00 0.00 C ATOM 241 CD GLN A 20 8.518 -11.952 6.304 1.00 0.00 C ATOM 242 OE1 GLN A 20 7.557 -11.918 5.535 1.00 0.00 O ATOM 243 NE2 GLN A 20 8.490 -11.400 7.511 1.00 0.00 N ATOM 0 H GLN A 20 11.165 -15.667 5.751 1.00 0.00 H new ATOM 0 HA GLN A 20 8.352 -14.898 6.215 1.00 0.00 H new ATOM 0 HB2 GLN A 20 10.513 -13.899 4.325 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.831 -13.432 4.175 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.285 -13.054 6.793 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.496 -11.901 5.491 1.00 0.00 H new ATOM 0 HE21 GLN A 20 9.310 -11.453 8.115 1.00 0.00 H new ATOM 0 HE22 GLN A 20 7.648 -10.923 7.834 1.00 0.00 H new ATOM 252 N ARG A 21 9.602 -16.546 3.634 1.00 0.00 N ATOM 253 CA ARG A 21 9.262 -17.468 2.556 1.00 0.00 C ATOM 254 C ARG A 21 8.336 -16.802 1.543 1.00 0.00 C ATOM 255 O ARG A 21 7.447 -17.443 0.984 1.00 0.00 O ATOM 256 CB ARG A 21 8.599 -18.727 3.124 1.00 0.00 C ATOM 257 CG ARG A 21 9.239 -20.019 2.641 1.00 0.00 C ATOM 258 CD ARG A 21 8.739 -21.221 3.429 1.00 0.00 C ATOM 259 NE ARG A 21 7.898 -22.098 2.617 1.00 0.00 N ATOM 260 CZ ARG A 21 6.595 -21.906 2.419 1.00 0.00 C ATOM 261 NH1 ARG A 21 5.977 -20.870 2.970 1.00 0.00 N ATOM 262 NH2 ARG A 21 5.909 -22.755 1.666 1.00 0.00 N ATOM 0 H ARG A 21 10.598 -16.343 3.716 1.00 0.00 H new ATOM 0 HA ARG A 21 10.184 -17.750 2.047 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.645 -18.693 4.212 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.544 -18.728 2.849 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.020 -20.161 1.583 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.322 -19.946 2.736 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.591 -21.785 3.808 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.174 -20.877 4.295 1.00 0.00 H new ATOM 0 HE ARG A 21 8.336 -22.906 2.175 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.500 -20.214 3.550 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.979 -20.729 2.814 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.379 -23.553 1.240 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.911 -22.610 1.513 1.00 0.00 H new ATOM 276 N GLU A 22 8.551 -15.511 1.312 1.00 0.00 N ATOM 277 CA GLU A 22 7.736 -14.758 0.366 1.00 0.00 C ATOM 278 C GLU A 22 8.495 -13.545 -0.162 1.00 0.00 C ATOM 279 O GLU A 22 8.714 -13.413 -1.366 1.00 0.00 O ATOM 280 CB GLU A 22 6.433 -14.310 1.029 1.00 0.00 C ATOM 281 CG GLU A 22 5.321 -14.000 0.039 1.00 0.00 C ATOM 282 CD GLU A 22 4.533 -15.232 -0.356 1.00 0.00 C ATOM 283 OE1 GLU A 22 5.097 -16.345 -0.288 1.00 0.00 O ATOM 284 OE2 GLU A 22 3.352 -15.085 -0.735 1.00 0.00 O ATOM 0 H GLU A 22 9.283 -14.965 1.767 1.00 0.00 H new ATOM 0 HA GLU A 22 7.503 -15.411 -0.475 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.094 -15.091 1.710 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.628 -13.424 1.632 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.645 -13.265 0.476 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.751 -13.546 -0.854 1.00 0.00 H new ATOM 291 N GLY A 23 8.893 -12.661 0.747 1.00 0.00 N ATOM 292 CA GLY A 23 9.623 -11.471 0.353 1.00 0.00 C ATOM 293 C GLY A 23 8.739 -10.240 0.303 1.00 0.00 C ATOM 294 O GLY A 23 7.512 -10.348 0.303 1.00 0.00 O ATOM 0 H GLY A 23 8.723 -12.748 1.749 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.440 -11.300 1.055 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.073 -11.632 -0.627 1.00 0.00 H new ATOM 298 N ALA A 24 9.362 -9.066 0.262 1.00 0.00 N ATOM 299 CA ALA A 24 8.623 -7.810 0.211 1.00 0.00 C ATOM 300 C ALA A 24 9.521 -6.664 -0.242 1.00 0.00 C ATOM 301 O ALA A 24 10.644 -6.883 -0.695 1.00 0.00 O ATOM 302 CB ALA A 24 8.015 -7.503 1.572 1.00 0.00 C ATOM 0 H ALA A 24 10.376 -8.959 0.263 1.00 0.00 H new ATOM 0 HA ALA A 24 7.820 -7.916 -0.518 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.466 -6.563 1.521 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.335 -8.306 1.856 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.809 -7.420 2.315 1.00 0.00 H new ATOM 308 N LYS A 25 9.018 -5.440 -0.116 1.00 0.00 N ATOM 309 CA LYS A 25 9.773 -4.258 -0.512 1.00 0.00 C ATOM 310 C LYS A 25 9.451 -3.077 0.397 1.00 0.00 C ATOM 311 O LYS A 25 10.350 -2.425 0.926 1.00 0.00 O ATOM 312 CB LYS A 25 9.470 -3.897 -1.967 1.00 0.00 C ATOM 313 CG LYS A 25 10.403 -4.562 -2.967 1.00 0.00 C ATOM 314 CD LYS A 25 9.656 -5.021 -4.210 1.00 0.00 C ATOM 315 CE LYS A 25 10.379 -4.609 -5.482 1.00 0.00 C ATOM 316 NZ LYS A 25 11.390 -5.619 -5.899 1.00 0.00 N ATOM 0 H LYS A 25 8.090 -5.241 0.258 1.00 0.00 H new ATOM 0 HA LYS A 25 10.835 -4.486 -0.416 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.443 -4.181 -2.197 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.536 -2.815 -2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.190 -3.863 -3.252 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.890 -5.417 -2.498 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.545 -6.105 -4.189 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.652 -4.598 -4.208 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.653 -4.470 -6.283 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.869 -3.648 -5.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.860 -5.300 -6.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.098 -5.734 -5.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.919 -6.530 -6.073 1.00 0.00 H new ATOM 330 N ALA A 26 8.161 -2.805 0.570 1.00 0.00 N ATOM 331 CA ALA A 26 7.720 -1.702 1.415 1.00 0.00 C ATOM 332 C ALA A 26 6.930 -2.211 2.616 1.00 0.00 C ATOM 333 O ALA A 26 6.766 -3.417 2.797 1.00 0.00 O ATOM 334 CB ALA A 26 6.881 -0.723 0.606 1.00 0.00 C ATOM 0 H ALA A 26 7.404 -3.333 0.136 1.00 0.00 H new ATOM 0 HA ALA A 26 8.605 -1.186 1.788 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.558 0.096 1.248 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.477 -0.326 -0.216 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.007 -1.237 0.206 1.00 0.00 H new ATOM 340 N GLU A 27 6.444 -1.284 3.434 1.00 0.00 N ATOM 341 CA GLU A 27 5.670 -1.640 4.618 1.00 0.00 C ATOM 342 C GLU A 27 4.534 -0.648 4.845 1.00 0.00 C ATOM 343 O GLU A 27 4.355 0.294 4.072 1.00 0.00 O ATOM 344 CB GLU A 27 6.577 -1.684 5.850 1.00 0.00 C ATOM 345 CG GLU A 27 7.638 -2.771 5.785 1.00 0.00 C ATOM 346 CD GLU A 27 7.096 -4.137 6.156 1.00 0.00 C ATOM 347 OE1 GLU A 27 6.061 -4.541 5.585 1.00 0.00 O ATOM 348 OE2 GLU A 27 7.707 -4.804 7.018 1.00 0.00 O ATOM 0 H GLU A 27 6.572 -0.281 3.299 1.00 0.00 H new ATOM 0 HA GLU A 27 5.238 -2.628 4.456 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.066 -0.717 5.966 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.963 -1.839 6.737 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.052 -2.810 4.777 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.457 -2.515 6.457 1.00 0.00 H new ATOM 355 N VAL A 28 3.770 -0.865 5.910 1.00 0.00 N ATOM 356 CA VAL A 28 2.651 0.010 6.239 1.00 0.00 C ATOM 357 C VAL A 28 3.138 1.398 6.639 1.00 0.00 C ATOM 358 O VAL A 28 3.935 1.544 7.566 1.00 0.00 O ATOM 359 CB VAL A 28 1.800 -0.573 7.384 1.00 0.00 C ATOM 360 CG1 VAL A 28 0.534 0.245 7.578 1.00 0.00 C ATOM 361 CG2 VAL A 28 1.465 -2.032 7.112 1.00 0.00 C ATOM 0 H VAL A 28 3.905 -1.639 6.560 1.00 0.00 H new ATOM 0 HA VAL A 28 2.036 0.088 5.342 1.00 0.00 H new ATOM 0 HB VAL A 28 2.381 -0.524 8.305 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.054 -0.182 8.391 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.799 1.273 7.823 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.053 0.231 6.659 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.864 -2.426 7.931 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.904 -2.109 6.181 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.387 -2.608 7.029 1.00 0.00 H new ATOM 371 N GLY A 29 2.654 2.415 5.934 1.00 0.00 N ATOM 372 CA GLY A 29 3.051 3.779 6.230 1.00 0.00 C ATOM 373 C GLY A 29 4.348 4.167 5.549 1.00 0.00 C ATOM 374 O GLY A 29 5.236 4.745 6.174 1.00 0.00 O ATOM 0 H GLY A 29 1.994 2.319 5.163 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.261 4.460 5.915 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.161 3.896 7.308 1.00 0.00 H new ATOM 378 N ASP A 30 4.458 3.846 4.264 1.00 0.00 N ATOM 379 CA ASP A 30 5.657 4.165 3.497 1.00 0.00 C ATOM 380 C ASP A 30 5.306 4.489 2.049 1.00 0.00 C ATOM 381 O ASP A 30 4.524 3.781 1.415 1.00 0.00 O ATOM 382 CB ASP A 30 6.644 2.997 3.546 1.00 0.00 C ATOM 383 CG ASP A 30 8.085 3.460 3.643 1.00 0.00 C ATOM 384 OD1 ASP A 30 8.373 4.595 3.209 1.00 0.00 O ATOM 385 OD2 ASP A 30 8.923 2.689 4.153 1.00 0.00 O ATOM 0 H ASP A 30 3.732 3.366 3.732 1.00 0.00 H new ATOM 0 HA ASP A 30 6.122 5.044 3.944 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.411 2.364 4.402 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.522 2.384 2.653 1.00 0.00 H new ATOM 390 N GLN A 31 5.889 5.565 1.531 1.00 0.00 N ATOM 391 CA GLN A 31 5.639 5.984 0.157 1.00 0.00 C ATOM 392 C GLN A 31 6.054 4.896 -0.828 1.00 0.00 C ATOM 393 O GLN A 31 7.090 4.254 -0.657 1.00 0.00 O ATOM 394 CB GLN A 31 6.389 7.283 -0.147 1.00 0.00 C ATOM 395 CG GLN A 31 5.478 8.489 -0.306 1.00 0.00 C ATOM 396 CD GLN A 31 6.174 9.663 -0.967 1.00 0.00 C ATOM 397 OE1 GLN A 31 6.318 9.705 -2.190 1.00 0.00 O ATOM 398 NE2 GLN A 31 6.610 10.623 -0.161 1.00 0.00 N ATOM 0 H GLN A 31 6.538 6.163 2.042 1.00 0.00 H new ATOM 0 HA GLN A 31 4.569 6.158 0.045 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.100 7.479 0.656 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.968 7.153 -1.061 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.608 8.207 -0.899 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.111 8.794 0.674 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.469 10.546 0.846 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.086 11.437 -0.549 1.00 0.00 H new ATOM 407 N VAL A 32 5.240 4.694 -1.859 1.00 0.00 N ATOM 408 CA VAL A 32 5.524 3.683 -2.870 1.00 0.00 C ATOM 409 C VAL A 32 5.064 4.141 -4.250 1.00 0.00 C ATOM 410 O VAL A 32 4.464 5.206 -4.395 1.00 0.00 O ATOM 411 CB VAL A 32 4.842 2.344 -2.533 1.00 0.00 C ATOM 412 CG1 VAL A 32 5.466 1.722 -1.294 1.00 0.00 C ATOM 413 CG2 VAL A 32 3.344 2.539 -2.345 1.00 0.00 C ATOM 0 H VAL A 32 4.379 5.217 -2.016 1.00 0.00 H new ATOM 0 HA VAL A 32 6.605 3.540 -2.879 1.00 0.00 H new ATOM 0 HB VAL A 32 4.994 1.661 -3.369 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.970 0.777 -1.072 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.526 1.543 -1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.349 2.400 -0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.879 1.582 -2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.168 3.240 -1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.911 2.935 -3.263 1.00 0.00 H new ATOM 423 N LEU A 33 5.349 3.328 -5.262 1.00 0.00 N ATOM 424 CA LEU A 33 4.965 3.648 -6.632 1.00 0.00 C ATOM 425 C LEU A 33 4.350 2.435 -7.322 1.00 0.00 C ATOM 426 O LEU A 33 5.062 1.544 -7.783 1.00 0.00 O ATOM 427 CB LEU A 33 6.180 4.138 -7.423 1.00 0.00 C ATOM 428 CG LEU A 33 5.868 4.704 -8.809 1.00 0.00 C ATOM 429 CD1 LEU A 33 4.904 5.875 -8.702 1.00 0.00 C ATOM 430 CD2 LEU A 33 7.149 5.127 -9.510 1.00 0.00 C ATOM 0 H LEU A 33 5.845 2.442 -5.159 1.00 0.00 H new ATOM 0 HA LEU A 33 4.218 4.441 -6.598 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.688 4.906 -6.840 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.879 3.309 -7.535 1.00 0.00 H new ATOM 0 HG LEU A 33 5.393 3.923 -9.403 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.693 6.265 -9.698 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.975 5.541 -8.239 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.351 6.660 -8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.910 5.528 -10.495 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.651 5.893 -8.919 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.806 4.264 -9.619 1.00 0.00 H new ATOM 442 N VAL A 34 3.022 2.407 -7.386 1.00 0.00 N ATOM 443 CA VAL A 34 2.311 1.301 -8.017 1.00 0.00 C ATOM 444 C VAL A 34 2.527 1.296 -9.526 1.00 0.00 C ATOM 445 O VAL A 34 2.297 2.301 -10.200 1.00 0.00 O ATOM 446 CB VAL A 34 0.799 1.368 -7.727 1.00 0.00 C ATOM 447 CG1 VAL A 34 0.105 0.107 -8.219 1.00 0.00 C ATOM 448 CG2 VAL A 34 0.549 1.578 -6.242 1.00 0.00 C ATOM 0 H VAL A 34 2.418 3.137 -7.009 1.00 0.00 H new ATOM 0 HA VAL A 34 2.716 0.382 -7.592 1.00 0.00 H new ATOM 0 HB VAL A 34 0.381 2.219 -8.266 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.962 0.172 -8.006 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.255 0.005 -9.294 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.524 -0.761 -7.710 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.524 1.623 -6.056 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.980 0.750 -5.680 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.011 2.512 -5.924 1.00 0.00 H new ATOM 458 N ALA A 35 2.969 0.158 -10.051 1.00 0.00 N ATOM 459 CA ALA A 35 3.216 0.018 -11.481 1.00 0.00 C ATOM 460 C ALA A 35 4.213 1.060 -11.976 1.00 0.00 C ATOM 461 O ALA A 35 4.215 1.422 -13.153 1.00 0.00 O ATOM 462 CB ALA A 35 1.909 0.128 -12.254 1.00 0.00 C ATOM 0 H ALA A 35 3.164 -0.682 -9.506 1.00 0.00 H new ATOM 0 HA ALA A 35 3.649 -0.968 -11.653 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.107 0.022 -13.321 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.228 -0.659 -11.931 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.455 1.101 -12.064 1.00 0.00 H new ATOM 468 N GLY A 36 5.063 1.541 -11.071 1.00 0.00 N ATOM 469 CA GLY A 36 6.053 2.536 -11.439 1.00 0.00 C ATOM 470 C GLY A 36 5.433 3.771 -12.064 1.00 0.00 C ATOM 471 O GLY A 36 6.015 4.378 -12.963 1.00 0.00 O ATOM 0 H GLY A 36 5.083 1.259 -10.091 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.618 2.826 -10.553 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.762 2.096 -12.140 1.00 0.00 H new ATOM 475 N GLN A 37 4.249 4.143 -11.588 1.00 0.00 N ATOM 476 CA GLN A 37 3.550 5.313 -12.108 1.00 0.00 C ATOM 477 C GLN A 37 2.734 5.992 -11.013 1.00 0.00 C ATOM 478 O GLN A 37 3.049 7.104 -10.588 1.00 0.00 O ATOM 479 CB GLN A 37 2.636 4.913 -13.267 1.00 0.00 C ATOM 480 CG GLN A 37 3.376 4.283 -14.436 1.00 0.00 C ATOM 481 CD GLN A 37 2.439 3.769 -15.511 1.00 0.00 C ATOM 482 OE1 GLN A 37 2.043 2.603 -15.499 1.00 0.00 O ATOM 483 NE2 GLN A 37 2.079 4.638 -16.448 1.00 0.00 N ATOM 0 H GLN A 37 3.754 3.652 -10.844 1.00 0.00 H new ATOM 0 HA GLN A 37 4.297 6.020 -12.470 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.886 4.211 -12.902 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.102 5.796 -13.619 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.053 5.018 -14.871 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.990 3.460 -14.071 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.431 5.595 -16.419 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.450 4.349 -17.197 1.00 0.00 H new ATOM 492 N LYS A 38 1.684 5.315 -10.558 1.00 0.00 N ATOM 493 CA LYS A 38 0.822 5.854 -9.512 1.00 0.00 C ATOM 494 C LYS A 38 1.514 5.799 -8.154 1.00 0.00 C ATOM 495 O LYS A 38 1.663 4.728 -7.565 1.00 0.00 O ATOM 496 CB LYS A 38 -0.496 5.078 -9.458 1.00 0.00 C ATOM 497 CG LYS A 38 -1.340 5.224 -10.714 1.00 0.00 C ATOM 498 CD LYS A 38 -2.664 4.490 -10.582 1.00 0.00 C ATOM 499 CE LYS A 38 -3.537 4.690 -11.810 1.00 0.00 C ATOM 500 NZ LYS A 38 -2.890 4.161 -13.043 1.00 0.00 N ATOM 0 H LYS A 38 1.410 4.393 -10.897 1.00 0.00 H new ATOM 0 HA LYS A 38 0.612 6.897 -9.750 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.280 4.022 -9.296 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.074 5.420 -8.600 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.526 6.280 -10.908 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.790 4.834 -11.571 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.478 3.426 -10.436 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.192 4.846 -9.697 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.495 4.191 -11.660 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.747 5.752 -11.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.578 4.161 -13.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.080 4.763 -13.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.560 3.190 -12.872 1.00 0.00 H new ATOM 514 N GLN A 39 1.935 6.960 -7.663 1.00 0.00 N ATOM 515 CA GLN A 39 2.610 7.045 -6.372 1.00 0.00 C ATOM 516 C GLN A 39 1.599 7.140 -5.234 1.00 0.00 C ATOM 517 O GLN A 39 0.631 7.895 -5.314 1.00 0.00 O ATOM 518 CB GLN A 39 3.545 8.256 -6.342 1.00 0.00 C ATOM 519 CG GLN A 39 4.541 8.226 -5.195 1.00 0.00 C ATOM 520 CD GLN A 39 3.895 8.518 -3.855 1.00 0.00 C ATOM 521 OE1 GLN A 39 3.794 7.641 -2.997 1.00 0.00 O ATOM 522 NE2 GLN A 39 3.453 9.756 -3.668 1.00 0.00 N ATOM 0 H GLN A 39 1.821 7.855 -8.139 1.00 0.00 H new ATOM 0 HA GLN A 39 3.197 6.137 -6.236 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.090 8.307 -7.285 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.947 9.165 -6.270 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.018 7.247 -5.159 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.327 8.957 -5.382 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.557 10.452 -4.407 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.009 10.011 -2.786 1.00 0.00 H new ATOM 531 N GLY A 40 1.830 6.369 -4.177 1.00 0.00 N ATOM 532 CA GLY A 40 0.930 6.383 -3.040 1.00 0.00 C ATOM 533 C GLY A 40 1.594 5.892 -1.768 1.00 0.00 C ATOM 534 O GLY A 40 2.809 5.704 -1.726 1.00 0.00 O ATOM 0 H GLY A 40 2.624 5.735 -4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.561 7.397 -2.885 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.064 5.758 -3.258 1.00 0.00 H new ATOM 538 N ILE A 41 0.793 5.686 -0.727 1.00 0.00 N ATOM 539 CA ILE A 41 1.307 5.215 0.554 1.00 0.00 C ATOM 540 C ILE A 41 0.563 3.969 1.020 1.00 0.00 C ATOM 541 O ILE A 41 -0.668 3.929 1.013 1.00 0.00 O ATOM 542 CB ILE A 41 1.195 6.303 1.639 1.00 0.00 C ATOM 543 CG1 ILE A 41 1.779 7.624 1.136 1.00 0.00 C ATOM 544 CG2 ILE A 41 1.900 5.856 2.913 1.00 0.00 C ATOM 545 CD1 ILE A 41 1.217 8.840 1.839 1.00 0.00 C ATOM 0 H ILE A 41 -0.215 5.838 -0.746 1.00 0.00 H new ATOM 0 HA ILE A 41 2.359 4.971 0.402 1.00 0.00 H new ATOM 0 HB ILE A 41 0.140 6.459 1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.861 7.607 1.267 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.588 7.712 0.066 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.812 6.635 3.670 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.440 4.939 3.281 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.953 5.673 2.701 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.676 9.741 1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.138 8.882 1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.431 8.775 2.906 1.00 0.00 H new ATOM 557 N VAL A 42 1.317 2.952 1.424 1.00 0.00 N ATOM 558 CA VAL A 42 0.728 1.703 1.893 1.00 0.00 C ATOM 559 C VAL A 42 -0.054 1.918 3.184 1.00 0.00 C ATOM 560 O VAL A 42 0.503 2.343 4.196 1.00 0.00 O ATOM 561 CB VAL A 42 1.804 0.626 2.129 1.00 0.00 C ATOM 562 CG1 VAL A 42 1.162 -0.706 2.487 1.00 0.00 C ATOM 563 CG2 VAL A 42 2.694 0.482 0.903 1.00 0.00 C ATOM 0 H VAL A 42 2.337 2.968 1.436 1.00 0.00 H new ATOM 0 HA VAL A 42 0.050 1.360 1.112 1.00 0.00 H new ATOM 0 HB VAL A 42 2.425 0.940 2.968 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.939 -1.453 2.650 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.572 -0.593 3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.514 -1.028 1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.448 -0.283 1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.087 0.193 0.045 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.185 1.433 0.696 1.00 0.00 H new ATOM 573 N ARG A 43 -1.349 1.623 3.143 1.00 0.00 N ATOM 574 CA ARG A 43 -2.208 1.782 4.311 1.00 0.00 C ATOM 575 C ARG A 43 -2.518 0.432 4.948 1.00 0.00 C ATOM 576 O ARG A 43 -2.699 0.334 6.161 1.00 0.00 O ATOM 577 CB ARG A 43 -3.509 2.485 3.919 1.00 0.00 C ATOM 578 CG ARG A 43 -3.338 3.968 3.631 1.00 0.00 C ATOM 579 CD ARG A 43 -3.162 4.767 4.911 1.00 0.00 C ATOM 580 NE ARG A 43 -3.408 6.192 4.706 1.00 0.00 N ATOM 581 CZ ARG A 43 -3.667 7.050 5.690 1.00 0.00 C ATOM 582 NH1 ARG A 43 -3.714 6.632 6.949 1.00 0.00 N ATOM 583 NH2 ARG A 43 -3.878 8.330 5.415 1.00 0.00 N ATOM 0 H ARG A 43 -1.827 1.272 2.313 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.677 2.393 5.041 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.924 1.998 3.037 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.235 2.361 4.722 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.472 4.117 2.986 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.208 4.337 3.087 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.844 4.387 5.672 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.150 4.625 5.291 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.380 6.551 3.752 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.551 5.649 7.166 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.913 7.294 7.699 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.842 8.657 4.449 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.077 8.988 6.169 1.00 0.00 H new ATOM 597 N PHE A 44 -2.578 -0.607 4.121 1.00 0.00 N ATOM 598 CA PHE A 44 -2.868 -1.952 4.605 1.00 0.00 C ATOM 599 C PHE A 44 -2.073 -2.994 3.824 1.00 0.00 C ATOM 600 O PHE A 44 -2.245 -3.141 2.614 1.00 0.00 O ATOM 601 CB PHE A 44 -4.364 -2.246 4.492 1.00 0.00 C ATOM 602 CG PHE A 44 -4.758 -3.585 5.051 1.00 0.00 C ATOM 603 CD1 PHE A 44 -5.058 -3.727 6.397 1.00 0.00 C ATOM 604 CD2 PHE A 44 -4.826 -4.698 4.231 1.00 0.00 C ATOM 605 CE1 PHE A 44 -5.421 -4.956 6.914 1.00 0.00 C ATOM 606 CE2 PHE A 44 -5.188 -5.931 4.742 1.00 0.00 C ATOM 607 CZ PHE A 44 -5.485 -6.059 6.086 1.00 0.00 C ATOM 0 H PHE A 44 -2.430 -0.544 3.114 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.573 -2.006 5.653 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.919 -1.466 5.013 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.657 -2.199 3.443 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -5.007 -2.867 7.049 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.594 -4.602 3.181 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.654 -5.054 7.964 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.239 -6.792 4.092 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.767 -7.021 6.488 1.00 0.00 H new ATOM 617 N TYR A 45 -1.203 -3.715 4.523 1.00 0.00 N ATOM 618 CA TYR A 45 -0.382 -4.743 3.896 1.00 0.00 C ATOM 619 C TYR A 45 -0.770 -6.131 4.397 1.00 0.00 C ATOM 620 O TYR A 45 -0.935 -6.344 5.598 1.00 0.00 O ATOM 621 CB TYR A 45 1.100 -4.483 4.175 1.00 0.00 C ATOM 622 CG TYR A 45 2.025 -5.487 3.524 1.00 0.00 C ATOM 623 CD1 TYR A 45 1.874 -5.833 2.187 1.00 0.00 C ATOM 624 CD2 TYR A 45 3.048 -6.087 4.246 1.00 0.00 C ATOM 625 CE1 TYR A 45 2.718 -6.750 1.588 1.00 0.00 C ATOM 626 CE2 TYR A 45 3.896 -7.004 3.654 1.00 0.00 C ATOM 627 CZ TYR A 45 3.727 -7.331 2.326 1.00 0.00 C ATOM 628 OH TYR A 45 4.570 -8.245 1.733 1.00 0.00 O ATOM 0 H TYR A 45 -1.048 -3.606 5.525 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.554 -4.704 2.820 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.357 -3.484 3.824 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.266 -4.494 5.252 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.085 -5.379 1.606 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.183 -5.833 5.287 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.587 -7.010 0.548 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.687 -7.462 4.229 1.00 0.00 H new ATOM 0 HH TYR A 45 5.226 -8.559 2.390 1.00 0.00 H new ATOM 638 N GLY A 46 -0.915 -7.071 3.470 1.00 0.00 N ATOM 639 CA GLY A 46 -1.281 -8.426 3.837 1.00 0.00 C ATOM 640 C GLY A 46 -1.988 -9.160 2.716 1.00 0.00 C ATOM 641 O GLY A 46 -2.279 -8.579 1.670 1.00 0.00 O ATOM 0 H GLY A 46 -0.785 -6.919 2.470 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.384 -8.977 4.119 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.928 -8.399 4.714 1.00 0.00 H new ATOM 645 N LYS A 47 -2.264 -10.442 2.932 1.00 0.00 N ATOM 646 CA LYS A 47 -2.942 -11.259 1.931 1.00 0.00 C ATOM 647 C LYS A 47 -4.317 -10.688 1.602 1.00 0.00 C ATOM 648 O LYS A 47 -4.877 -9.908 2.373 1.00 0.00 O ATOM 649 CB LYS A 47 -3.078 -12.700 2.425 1.00 0.00 C ATOM 650 CG LYS A 47 -1.804 -13.517 2.281 1.00 0.00 C ATOM 651 CD LYS A 47 -2.006 -14.711 1.358 1.00 0.00 C ATOM 652 CE LYS A 47 -1.013 -15.821 1.659 1.00 0.00 C ATOM 653 NZ LYS A 47 -1.617 -16.899 2.488 1.00 0.00 N ATOM 0 H LYS A 47 -2.029 -10.938 3.792 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.340 -11.250 1.023 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.376 -12.689 3.473 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.879 -13.191 1.871 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.007 -12.884 1.890 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.481 -13.865 3.262 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.022 -15.090 1.469 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.895 -14.394 0.321 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.648 -16.245 0.723 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.150 -15.404 2.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.906 -17.636 2.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.943 -16.501 3.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.425 -17.315 1.982 1.00 0.00 H new ATOM 667 N THR A 48 -4.856 -11.083 0.454 1.00 0.00 N ATOM 668 CA THR A 48 -6.168 -10.611 0.023 1.00 0.00 C ATOM 669 C THR A 48 -7.099 -11.784 -0.268 1.00 0.00 C ATOM 670 O THR A 48 -6.717 -12.945 -0.115 1.00 0.00 O ATOM 671 CB THR A 48 -6.033 -9.732 -1.222 1.00 0.00 C ATOM 672 OG1 THR A 48 -5.308 -10.404 -2.235 1.00 0.00 O ATOM 673 CG2 THR A 48 -5.335 -8.417 -0.952 1.00 0.00 C ATOM 0 H THR A 48 -4.406 -11.728 -0.195 1.00 0.00 H new ATOM 0 HA THR A 48 -6.598 -10.020 0.832 1.00 0.00 H new ATOM 0 HB THR A 48 -7.054 -9.524 -1.541 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.624 -11.329 -2.305 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.272 -7.842 -1.876 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.899 -7.851 -0.210 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.330 -8.609 -0.575 1.00 0.00 H new ATOM 681 N ASP A 49 -8.321 -11.473 -0.688 1.00 0.00 N ATOM 682 CA ASP A 49 -9.306 -12.501 -1.000 1.00 0.00 C ATOM 683 C ASP A 49 -9.525 -12.605 -2.506 1.00 0.00 C ATOM 684 O ASP A 49 -9.758 -13.691 -3.037 1.00 0.00 O ATOM 685 CB ASP A 49 -10.631 -12.196 -0.300 1.00 0.00 C ATOM 686 CG ASP A 49 -11.348 -13.452 0.155 1.00 0.00 C ATOM 687 OD1 ASP A 49 -12.042 -14.074 -0.677 1.00 0.00 O ATOM 688 OD2 ASP A 49 -11.216 -13.813 1.343 1.00 0.00 O ATOM 0 H ASP A 49 -8.652 -10.517 -0.820 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.924 -13.456 -0.640 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.444 -11.555 0.562 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.277 -11.638 -0.978 1.00 0.00 H new ATOM 693 N PHE A 50 -9.450 -11.467 -3.189 1.00 0.00 N ATOM 694 CA PHE A 50 -9.640 -11.430 -4.634 1.00 0.00 C ATOM 695 C PHE A 50 -8.557 -12.232 -5.348 1.00 0.00 C ATOM 696 O PHE A 50 -8.794 -12.808 -6.409 1.00 0.00 O ATOM 697 CB PHE A 50 -9.633 -9.984 -5.133 1.00 0.00 C ATOM 698 CG PHE A 50 -8.358 -9.251 -4.830 1.00 0.00 C ATOM 699 CD1 PHE A 50 -7.200 -9.527 -5.538 1.00 0.00 C ATOM 700 CD2 PHE A 50 -8.318 -8.284 -3.838 1.00 0.00 C ATOM 701 CE1 PHE A 50 -6.025 -8.854 -5.262 1.00 0.00 C ATOM 702 CE2 PHE A 50 -7.146 -7.608 -3.557 1.00 0.00 C ATOM 703 CZ PHE A 50 -5.998 -7.893 -4.270 1.00 0.00 C ATOM 0 H PHE A 50 -9.259 -10.559 -2.765 1.00 0.00 H new ATOM 0 HA PHE A 50 -10.607 -11.881 -4.859 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.798 -9.979 -6.210 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.467 -9.448 -4.680 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -7.216 -10.277 -6.315 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -9.213 -8.056 -3.278 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.129 -9.079 -5.821 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.128 -6.858 -2.781 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.081 -7.366 -4.052 1.00 0.00 H new ATOM 713 N ALA A 51 -7.365 -12.263 -4.758 1.00 0.00 N ATOM 714 CA ALA A 51 -6.246 -12.994 -5.338 1.00 0.00 C ATOM 715 C ALA A 51 -5.223 -13.373 -4.269 1.00 0.00 C ATOM 716 O ALA A 51 -5.042 -12.650 -3.289 1.00 0.00 O ATOM 717 CB ALA A 51 -5.586 -12.166 -6.431 1.00 0.00 C ATOM 0 H ALA A 51 -7.151 -11.791 -3.880 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.633 -13.914 -5.776 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.751 -12.724 -6.856 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.314 -11.950 -7.213 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.219 -11.231 -6.008 1.00 0.00 H new ATOM 723 N PRO A 52 -4.539 -14.517 -4.443 1.00 0.00 N ATOM 724 CA PRO A 52 -3.532 -14.988 -3.489 1.00 0.00 C ATOM 725 C PRO A 52 -2.261 -14.146 -3.525 1.00 0.00 C ATOM 726 O PRO A 52 -2.020 -13.409 -4.481 1.00 0.00 O ATOM 727 CB PRO A 52 -3.241 -16.415 -3.955 1.00 0.00 C ATOM 728 CG PRO A 52 -3.554 -16.407 -5.412 1.00 0.00 C ATOM 729 CD PRO A 52 -4.693 -15.440 -5.585 1.00 0.00 C ATOM 0 HA PRO A 52 -3.885 -14.925 -2.460 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.201 -16.686 -3.775 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.856 -17.139 -3.421 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.687 -16.098 -5.996 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.832 -17.403 -5.757 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.631 -14.914 -6.537 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.657 -15.948 -5.563 1.00 0.00 H new ATOM 737 N GLY A 53 -1.450 -14.260 -2.477 1.00 0.00 N ATOM 738 CA GLY A 53 -0.214 -13.505 -2.410 1.00 0.00 C ATOM 739 C GLY A 53 -0.319 -12.300 -1.496 1.00 0.00 C ATOM 740 O GLY A 53 -1.383 -12.022 -0.944 1.00 0.00 O ATOM 0 H GLY A 53 -1.628 -14.862 -1.673 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.587 -14.155 -2.058 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.061 -13.174 -3.412 1.00 0.00 H new ATOM 744 N TYR A 54 0.788 -11.583 -1.337 1.00 0.00 N ATOM 745 CA TYR A 54 0.817 -10.401 -0.484 1.00 0.00 C ATOM 746 C TYR A 54 0.638 -9.130 -1.307 1.00 0.00 C ATOM 747 O TYR A 54 1.507 -8.764 -2.100 1.00 0.00 O ATOM 748 CB TYR A 54 2.135 -10.338 0.291 1.00 0.00 C ATOM 749 CG TYR A 54 2.169 -11.241 1.504 1.00 0.00 C ATOM 750 CD1 TYR A 54 2.378 -12.609 1.369 1.00 0.00 C ATOM 751 CD2 TYR A 54 1.993 -10.727 2.781 1.00 0.00 C ATOM 752 CE1 TYR A 54 2.409 -13.436 2.475 1.00 0.00 C ATOM 753 CE2 TYR A 54 2.023 -11.548 3.892 1.00 0.00 C ATOM 754 CZ TYR A 54 2.232 -12.902 3.734 1.00 0.00 C ATOM 755 OH TYR A 54 2.262 -13.723 4.837 1.00 0.00 O ATOM 0 H TYR A 54 1.677 -11.800 -1.788 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.010 -10.474 0.222 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.953 -10.610 -0.377 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.311 -9.310 0.609 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.518 -13.031 0.385 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.830 -9.667 2.909 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.571 -14.497 2.354 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.884 -11.132 4.879 1.00 0.00 H new ATOM 0 HH TYR A 54 2.122 -13.189 5.646 1.00 0.00 H new ATOM 765 N TRP A 55 -0.494 -8.460 -1.115 1.00 0.00 N ATOM 766 CA TRP A 55 -0.788 -7.229 -1.839 1.00 0.00 C ATOM 767 C TRP A 55 -0.689 -6.019 -0.917 1.00 0.00 C ATOM 768 O TRP A 55 -0.728 -6.153 0.306 1.00 0.00 O ATOM 769 CB TRP A 55 -2.183 -7.300 -2.462 1.00 0.00 C ATOM 770 CG TRP A 55 -2.361 -8.465 -3.388 1.00 0.00 C ATOM 771 CD1 TRP A 55 -2.468 -9.780 -3.039 1.00 0.00 C ATOM 772 CD2 TRP A 55 -2.451 -8.420 -4.817 1.00 0.00 C ATOM 773 NE1 TRP A 55 -2.619 -10.556 -4.164 1.00 0.00 N ATOM 774 CE2 TRP A 55 -2.613 -9.744 -5.267 1.00 0.00 C ATOM 775 CE3 TRP A 55 -2.413 -7.387 -5.760 1.00 0.00 C ATOM 776 CZ2 TRP A 55 -2.735 -10.061 -6.618 1.00 0.00 C ATOM 777 CZ3 TRP A 55 -2.534 -7.704 -7.099 1.00 0.00 C ATOM 778 CH2 TRP A 55 -2.695 -9.032 -7.517 1.00 0.00 C ATOM 0 H TRP A 55 -1.223 -8.750 -0.463 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.049 -7.118 -2.633 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.926 -7.360 -1.667 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.376 -6.377 -3.009 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -2.438 -10.156 -2.027 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -2.719 -11.571 -4.175 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.291 -6.361 -5.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -2.857 -11.084 -6.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.504 -6.915 -7.836 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.789 -9.247 -8.571 1.00 0.00 H new ATOM 789 N TYR A 56 -0.562 -4.837 -1.510 1.00 0.00 N ATOM 790 CA TYR A 56 -0.457 -3.602 -0.742 1.00 0.00 C ATOM 791 C TYR A 56 -1.678 -2.716 -0.966 1.00 0.00 C ATOM 792 O TYR A 56 -1.988 -2.344 -2.098 1.00 0.00 O ATOM 793 CB TYR A 56 0.816 -2.845 -1.126 1.00 0.00 C ATOM 794 CG TYR A 56 2.088 -3.586 -0.783 1.00 0.00 C ATOM 795 CD1 TYR A 56 2.426 -4.765 -1.437 1.00 0.00 C ATOM 796 CD2 TYR A 56 2.951 -3.108 0.194 1.00 0.00 C ATOM 797 CE1 TYR A 56 3.587 -5.445 -1.127 1.00 0.00 C ATOM 798 CE2 TYR A 56 4.115 -3.782 0.510 1.00 0.00 C ATOM 799 CZ TYR A 56 4.429 -4.950 -0.153 1.00 0.00 C ATOM 800 OH TYR A 56 5.587 -5.624 0.159 1.00 0.00 O ATOM 0 H TYR A 56 -0.529 -4.708 -2.521 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.411 -3.864 0.315 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.800 -2.644 -2.197 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.821 -1.879 -0.621 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.770 -5.156 -2.200 1.00 0.00 H new ATOM 0 HD2 TYR A 56 2.708 -2.194 0.716 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.835 -6.360 -1.645 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.776 -3.396 1.272 1.00 0.00 H new ATOM 0 HH TYR A 56 5.380 -6.367 0.763 1.00 0.00 H new ATOM 810 N GLY A 57 -2.366 -2.379 0.120 1.00 0.00 N ATOM 811 CA GLY A 57 -3.543 -1.537 0.022 1.00 0.00 C ATOM 812 C GLY A 57 -3.200 -0.061 -0.004 1.00 0.00 C ATOM 813 O GLY A 57 -3.677 0.708 0.831 1.00 0.00 O ATOM 0 H GLY A 57 -2.129 -2.675 1.067 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.096 -1.794 -0.882 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.202 -1.739 0.867 1.00 0.00 H new ATOM 817 N ILE A 58 -2.371 0.335 -0.964 1.00 0.00 N ATOM 818 CA ILE A 58 -1.963 1.729 -1.095 1.00 0.00 C ATOM 819 C ILE A 58 -3.135 2.606 -1.524 1.00 0.00 C ATOM 820 O ILE A 58 -3.924 2.226 -2.389 1.00 0.00 O ATOM 821 CB ILE A 58 -0.818 1.883 -2.115 1.00 0.00 C ATOM 822 CG1 ILE A 58 0.320 0.912 -1.789 1.00 0.00 C ATOM 823 CG2 ILE A 58 -0.311 3.319 -2.132 1.00 0.00 C ATOM 824 CD1 ILE A 58 0.838 0.164 -2.998 1.00 0.00 C ATOM 0 H ILE A 58 -1.969 -0.290 -1.663 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.612 2.052 -0.115 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.201 1.643 -3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.141 1.466 -1.335 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.028 0.193 -1.048 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.497 3.411 -2.857 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.125 3.989 -2.409 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.058 3.586 -1.142 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.642 -0.506 -2.694 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.029 -0.418 -3.440 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.216 0.876 -3.732 1.00 0.00 H new ATOM 836 N GLU A 59 -3.242 3.780 -0.912 1.00 0.00 N ATOM 837 CA GLU A 59 -4.317 4.713 -1.229 1.00 0.00 C ATOM 838 C GLU A 59 -3.819 5.829 -2.142 1.00 0.00 C ATOM 839 O GLU A 59 -2.698 6.315 -1.988 1.00 0.00 O ATOM 840 CB GLU A 59 -4.898 5.309 0.055 1.00 0.00 C ATOM 841 CG GLU A 59 -6.154 6.135 -0.172 1.00 0.00 C ATOM 842 CD GLU A 59 -5.933 7.614 0.080 1.00 0.00 C ATOM 843 OE1 GLU A 59 -4.825 8.108 -0.219 1.00 0.00 O ATOM 844 OE2 GLU A 59 -6.868 8.278 0.575 1.00 0.00 O ATOM 0 H GLU A 59 -2.597 4.108 -0.193 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.099 4.163 -1.753 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.125 4.501 0.750 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.142 5.935 0.530 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.498 5.992 -1.196 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.946 5.773 0.484 1.00 0.00 H new ATOM 851 N LEU A 60 -4.658 6.230 -3.090 1.00 0.00 N ATOM 852 CA LEU A 60 -4.302 7.289 -4.027 1.00 0.00 C ATOM 853 C LEU A 60 -4.879 8.628 -3.579 1.00 0.00 C ATOM 854 O LEU A 60 -5.634 8.698 -2.610 1.00 0.00 O ATOM 855 CB LEU A 60 -4.805 6.947 -5.431 1.00 0.00 C ATOM 856 CG LEU A 60 -4.102 5.765 -6.100 1.00 0.00 C ATOM 857 CD1 LEU A 60 -4.630 5.560 -7.512 1.00 0.00 C ATOM 858 CD2 LEU A 60 -2.597 5.983 -6.118 1.00 0.00 C ATOM 0 H LEU A 60 -5.589 5.838 -3.230 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.215 7.371 -4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.872 6.732 -5.376 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.690 7.826 -6.066 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.313 4.865 -5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.118 4.715 -7.973 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.701 5.359 -7.475 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.450 6.459 -8.102 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.112 5.133 -6.597 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.368 6.892 -6.674 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.231 6.080 -5.096 1.00 0.00 H new ATOM 870 N ASP A 61 -4.518 9.690 -4.292 1.00 0.00 N ATOM 871 CA ASP A 61 -5.000 11.028 -3.969 1.00 0.00 C ATOM 872 C ASP A 61 -6.128 11.443 -4.908 1.00 0.00 C ATOM 873 O ASP A 61 -7.022 12.197 -4.525 1.00 0.00 O ATOM 874 CB ASP A 61 -3.854 12.038 -4.050 1.00 0.00 C ATOM 875 CG ASP A 61 -3.886 13.041 -2.914 1.00 0.00 C ATOM 876 OD1 ASP A 61 -4.317 12.666 -1.803 1.00 0.00 O ATOM 877 OD2 ASP A 61 -3.480 14.202 -3.135 1.00 0.00 O ATOM 0 H ASP A 61 -3.893 9.650 -5.097 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.389 11.011 -2.951 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.903 11.506 -4.035 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.907 12.568 -5.001 1.00 0.00 H new ATOM 882 N GLN A 62 -6.080 10.945 -6.140 1.00 0.00 N ATOM 883 CA GLN A 62 -7.099 11.266 -7.133 1.00 0.00 C ATOM 884 C GLN A 62 -8.060 10.095 -7.326 1.00 0.00 C ATOM 885 O GLN A 62 -7.696 8.940 -7.107 1.00 0.00 O ATOM 886 CB GLN A 62 -6.445 11.629 -8.467 1.00 0.00 C ATOM 887 CG GLN A 62 -5.251 12.559 -8.328 1.00 0.00 C ATOM 888 CD GLN A 62 -5.120 13.519 -9.494 1.00 0.00 C ATOM 889 OE1 GLN A 62 -5.969 14.387 -9.697 1.00 0.00 O ATOM 890 NE2 GLN A 62 -4.052 13.368 -10.268 1.00 0.00 N ATOM 0 H GLN A 62 -5.347 10.319 -6.474 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.667 12.123 -6.770 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.126 10.714 -8.966 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.189 12.100 -9.110 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.344 13.128 -7.403 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.340 11.965 -8.247 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.373 12.635 -10.063 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.910 13.985 -11.068 1.00 0.00 H new ATOM 899 N PRO A 63 -9.307 10.381 -7.740 1.00 0.00 N ATOM 900 CA PRO A 63 -10.322 9.347 -7.960 1.00 0.00 C ATOM 901 C PRO A 63 -10.065 8.545 -9.233 1.00 0.00 C ATOM 902 O PRO A 63 -10.849 8.595 -10.180 1.00 0.00 O ATOM 903 CB PRO A 63 -11.616 10.150 -8.084 1.00 0.00 C ATOM 904 CG PRO A 63 -11.187 11.477 -8.607 1.00 0.00 C ATOM 905 CD PRO A 63 -9.823 11.734 -8.024 1.00 0.00 C ATOM 0 HA PRO A 63 -10.337 8.608 -7.159 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.320 9.666 -8.761 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -12.116 10.247 -7.120 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -11.151 11.473 -9.696 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.890 12.257 -8.314 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.182 12.269 -8.725 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -9.881 12.339 -7.119 1.00 0.00 H new ATOM 913 N THR A 64 -8.962 7.803 -9.245 1.00 0.00 N ATOM 914 CA THR A 64 -8.603 6.989 -10.401 1.00 0.00 C ATOM 915 C THR A 64 -7.846 5.736 -9.970 1.00 0.00 C ATOM 916 O THR A 64 -6.892 5.318 -10.626 1.00 0.00 O ATOM 917 CB THR A 64 -7.754 7.801 -11.380 1.00 0.00 C ATOM 918 OG1 THR A 64 -7.285 6.983 -12.437 1.00 0.00 O ATOM 919 CG2 THR A 64 -6.549 8.450 -10.733 1.00 0.00 C ATOM 0 H THR A 64 -8.302 7.749 -8.469 1.00 0.00 H new ATOM 0 HA THR A 64 -9.523 6.683 -10.898 1.00 0.00 H new ATOM 0 HB THR A 64 -8.414 8.585 -11.751 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.742 6.254 -12.070 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.991 9.010 -11.483 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.880 9.128 -9.946 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.908 7.680 -10.304 1.00 0.00 H new ATOM 927 N GLY A 65 -8.278 5.142 -8.863 1.00 0.00 N ATOM 928 CA GLY A 65 -7.631 3.942 -8.365 1.00 0.00 C ATOM 929 C GLY A 65 -8.139 2.685 -9.042 1.00 0.00 C ATOM 930 O GLY A 65 -7.719 2.356 -10.151 1.00 0.00 O ATOM 0 H GLY A 65 -9.064 5.470 -8.302 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.555 4.023 -8.518 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.795 3.864 -7.290 1.00 0.00 H new ATOM 934 N LYS A 66 -9.045 1.979 -8.371 1.00 0.00 N ATOM 935 CA LYS A 66 -9.612 0.751 -8.915 1.00 0.00 C ATOM 936 C LYS A 66 -10.810 0.293 -8.089 1.00 0.00 C ATOM 937 O LYS A 66 -11.846 -0.087 -8.636 1.00 0.00 O ATOM 938 CB LYS A 66 -8.552 -0.352 -8.953 1.00 0.00 C ATOM 939 CG LYS A 66 -7.790 -0.417 -10.267 1.00 0.00 C ATOM 940 CD LYS A 66 -7.488 -1.852 -10.667 1.00 0.00 C ATOM 941 CE LYS A 66 -6.755 -1.920 -11.998 1.00 0.00 C ATOM 942 NZ LYS A 66 -7.427 -2.842 -12.955 1.00 0.00 N ATOM 0 H LYS A 66 -9.401 2.237 -7.451 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.950 0.955 -9.931 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.844 -0.193 -8.139 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.033 -1.313 -8.773 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.374 0.065 -11.051 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.858 0.140 -10.176 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.884 -2.326 -9.894 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.419 -2.415 -10.734 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.699 -0.922 -12.433 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.730 -2.253 -11.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.897 -2.860 -13.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.458 -3.800 -12.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -8.396 -2.511 -13.134 1.00 0.00 H new ATOM 956 N HIS A 67 -10.662 0.332 -6.768 1.00 0.00 N ATOM 957 CA HIS A 67 -11.732 -0.077 -5.867 1.00 0.00 C ATOM 958 C HIS A 67 -12.054 1.029 -4.867 1.00 0.00 C ATOM 959 O HIS A 67 -11.331 2.021 -4.769 1.00 0.00 O ATOM 960 CB HIS A 67 -11.340 -1.355 -5.123 1.00 0.00 C ATOM 961 CG HIS A 67 -9.978 -1.294 -4.504 1.00 0.00 C ATOM 962 ND1 HIS A 67 -9.747 -0.964 -3.187 1.00 0.00 N ATOM 963 CD2 HIS A 67 -8.758 -1.532 -5.050 1.00 0.00 C ATOM 964 CE1 HIS A 67 -8.424 -1.009 -2.978 1.00 0.00 C ATOM 965 NE2 HIS A 67 -7.779 -1.349 -4.077 1.00 0.00 N ATOM 0 H HIS A 67 -9.811 0.643 -6.299 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.622 -0.272 -6.465 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -12.076 -1.552 -4.343 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.378 -2.195 -5.816 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -10.457 -0.727 -2.494 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.576 -1.818 -6.075 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -7.948 -0.795 -2.033 1.00 0.00 H new ATOM 973 N ASP A 68 -13.143 0.852 -4.126 1.00 0.00 N ATOM 974 CA ASP A 68 -13.560 1.834 -3.133 1.00 0.00 C ATOM 975 C ASP A 68 -13.218 1.362 -1.722 1.00 0.00 C ATOM 976 O ASP A 68 -14.076 1.333 -0.840 1.00 0.00 O ATOM 977 CB ASP A 68 -15.063 2.099 -3.249 1.00 0.00 C ATOM 978 CG ASP A 68 -15.462 3.433 -2.651 1.00 0.00 C ATOM 979 OD1 ASP A 68 -14.766 3.902 -1.725 1.00 0.00 O ATOM 980 OD2 ASP A 68 -16.472 4.009 -3.107 1.00 0.00 O ATOM 0 H ASP A 68 -13.753 0.037 -4.195 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.020 2.761 -3.324 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.354 2.073 -4.299 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.610 1.301 -2.747 1.00 0.00 H new ATOM 985 N GLY A 69 -11.958 0.991 -1.518 1.00 0.00 N ATOM 986 CA GLY A 69 -11.524 0.526 -0.215 1.00 0.00 C ATOM 987 C GLY A 69 -11.667 -0.975 -0.059 1.00 0.00 C ATOM 988 O GLY A 69 -10.680 -1.709 -0.112 1.00 0.00 O ATOM 0 H GLY A 69 -11.230 1.004 -2.233 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.482 0.807 -0.061 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.107 1.026 0.559 1.00 0.00 H new ATOM 992 N SER A 70 -12.900 -1.434 0.135 1.00 0.00 N ATOM 993 CA SER A 70 -13.169 -2.858 0.299 1.00 0.00 C ATOM 994 C SER A 70 -13.306 -3.544 -1.056 1.00 0.00 C ATOM 995 O SER A 70 -13.652 -2.910 -2.053 1.00 0.00 O ATOM 996 CB SER A 70 -14.441 -3.066 1.121 1.00 0.00 C ATOM 997 OG SER A 70 -15.579 -2.576 0.434 1.00 0.00 O ATOM 0 H SER A 70 -13.728 -0.840 0.182 1.00 0.00 H new ATOM 0 HA SER A 70 -12.327 -3.304 0.828 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.570 -4.127 1.334 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.345 -2.558 2.080 1.00 0.00 H new ATOM 0 HG SER A 70 -16.379 -2.723 0.980 1.00 0.00 H new ATOM 1003 N VAL A 71 -13.034 -4.844 -1.085 1.00 0.00 N ATOM 1004 CA VAL A 71 -13.127 -5.617 -2.318 1.00 0.00 C ATOM 1005 C VAL A 71 -13.963 -6.876 -2.116 1.00 0.00 C ATOM 1006 O VAL A 71 -13.658 -7.704 -1.257 1.00 0.00 O ATOM 1007 CB VAL A 71 -11.733 -6.018 -2.837 1.00 0.00 C ATOM 1008 CG1 VAL A 71 -11.837 -6.646 -4.219 1.00 0.00 C ATOM 1009 CG2 VAL A 71 -10.805 -4.813 -2.859 1.00 0.00 C ATOM 0 H VAL A 71 -12.747 -5.385 -0.269 1.00 0.00 H new ATOM 0 HA VAL A 71 -13.611 -4.977 -3.056 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.312 -6.760 -2.158 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -10.842 -6.923 -4.569 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.464 -7.536 -4.168 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.279 -5.930 -4.912 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.825 -5.115 -3.228 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.219 -4.047 -3.514 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.705 -4.412 -1.850 1.00 0.00 H new ATOM 1019 N PHE A 72 -15.019 -7.013 -2.911 1.00 0.00 N ATOM 1020 CA PHE A 72 -15.900 -8.172 -2.820 1.00 0.00 C ATOM 1021 C PHE A 72 -16.541 -8.261 -1.439 1.00 0.00 C ATOM 1022 O PHE A 72 -16.845 -9.352 -0.955 1.00 0.00 O ATOM 1023 CB PHE A 72 -15.123 -9.455 -3.119 1.00 0.00 C ATOM 1024 CG PHE A 72 -14.698 -9.579 -4.554 1.00 0.00 C ATOM 1025 CD1 PHE A 72 -15.634 -9.517 -5.574 1.00 0.00 C ATOM 1026 CD2 PHE A 72 -13.364 -9.760 -4.883 1.00 0.00 C ATOM 1027 CE1 PHE A 72 -15.246 -9.631 -6.896 1.00 0.00 C ATOM 1028 CE2 PHE A 72 -12.971 -9.874 -6.203 1.00 0.00 C ATOM 1029 CZ PHE A 72 -13.914 -9.809 -7.211 1.00 0.00 C ATOM 0 H PHE A 72 -15.286 -6.336 -3.626 1.00 0.00 H new ATOM 0 HA PHE A 72 -16.691 -8.055 -3.561 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -14.239 -9.491 -2.482 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -15.741 -10.314 -2.856 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -16.678 -9.378 -5.334 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -12.623 -9.813 -4.099 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -15.985 -9.581 -7.682 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -11.928 -10.014 -6.446 1.00 0.00 H new ATOM 0 HZ PHE A 72 -13.609 -9.897 -8.243 1.00 0.00 H new ATOM 1039 N GLY A 73 -16.744 -7.109 -0.809 1.00 0.00 N ATOM 1040 CA GLY A 73 -17.347 -7.081 0.510 1.00 0.00 C ATOM 1041 C GLY A 73 -16.317 -7.006 1.619 1.00 0.00 C ATOM 1042 O GLY A 73 -16.580 -6.446 2.683 1.00 0.00 O ATOM 0 H GLY A 73 -16.501 -6.194 -1.189 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -18.016 -6.223 0.582 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.957 -7.974 0.646 1.00 0.00 H new ATOM 1046 N VAL A 74 -15.140 -7.573 1.371 1.00 0.00 N ATOM 1047 CA VAL A 74 -14.067 -7.568 2.357 1.00 0.00 C ATOM 1048 C VAL A 74 -13.344 -6.226 2.374 1.00 0.00 C ATOM 1049 O VAL A 74 -12.822 -5.778 1.354 1.00 0.00 O ATOM 1050 CB VAL A 74 -13.044 -8.687 2.080 1.00 0.00 C ATOM 1051 CG1 VAL A 74 -12.020 -8.767 3.203 1.00 0.00 C ATOM 1052 CG2 VAL A 74 -13.747 -10.024 1.896 1.00 0.00 C ATOM 0 H VAL A 74 -14.906 -8.041 0.496 1.00 0.00 H new ATOM 0 HA VAL A 74 -14.529 -7.741 3.329 1.00 0.00 H new ATOM 0 HB VAL A 74 -12.518 -8.449 1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.307 -9.563 2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.491 -7.817 3.282 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -12.528 -8.978 4.144 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -13.007 -10.800 1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -14.302 -10.271 2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -14.436 -9.960 1.054 1.00 0.00 H new ATOM 1062 N ARG A 75 -13.317 -5.588 3.540 1.00 0.00 N ATOM 1063 CA ARG A 75 -12.657 -4.297 3.691 1.00 0.00 C ATOM 1064 C ARG A 75 -11.207 -4.473 4.126 1.00 0.00 C ATOM 1065 O ARG A 75 -10.889 -5.365 4.914 1.00 0.00 O ATOM 1066 CB ARG A 75 -13.405 -3.434 4.708 1.00 0.00 C ATOM 1067 CG ARG A 75 -12.811 -2.046 4.881 1.00 0.00 C ATOM 1068 CD ARG A 75 -13.527 -1.264 5.970 1.00 0.00 C ATOM 1069 NE ARG A 75 -12.629 -0.346 6.666 1.00 0.00 N ATOM 1070 CZ ARG A 75 -11.771 -0.722 7.612 1.00 0.00 C ATOM 1071 NH1 ARG A 75 -11.692 -1.996 7.978 1.00 0.00 N ATOM 1072 NH2 ARG A 75 -10.989 0.177 8.193 1.00 0.00 N ATOM 0 H ARG A 75 -13.745 -5.945 4.394 1.00 0.00 H new ATOM 0 HA ARG A 75 -12.668 -3.797 2.722 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.445 -3.339 4.396 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.407 -3.942 5.672 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.753 -2.130 5.129 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.876 -1.502 3.939 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.351 -0.702 5.530 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.963 -1.959 6.688 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.661 0.641 6.412 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.291 -2.692 7.534 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.033 -2.278 8.703 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.045 1.157 7.915 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.332 -0.111 8.918 1.00 0.00 H new ATOM 1086 N TYR A 76 -10.330 -3.620 3.608 1.00 0.00 N ATOM 1087 CA TYR A 76 -8.912 -3.682 3.943 1.00 0.00 C ATOM 1088 C TYR A 76 -8.455 -2.390 4.614 1.00 0.00 C ATOM 1089 O TYR A 76 -7.696 -2.418 5.582 1.00 0.00 O ATOM 1090 CB TYR A 76 -8.080 -3.938 2.685 1.00 0.00 C ATOM 1091 CG TYR A 76 -8.520 -5.158 1.906 1.00 0.00 C ATOM 1092 CD1 TYR A 76 -9.671 -5.130 1.129 1.00 0.00 C ATOM 1093 CD2 TYR A 76 -7.783 -6.335 1.947 1.00 0.00 C ATOM 1094 CE1 TYR A 76 -10.077 -6.243 0.416 1.00 0.00 C ATOM 1095 CE2 TYR A 76 -8.182 -7.451 1.237 1.00 0.00 C ATOM 1096 CZ TYR A 76 -9.329 -7.400 0.473 1.00 0.00 C ATOM 1097 OH TYR A 76 -9.730 -8.509 -0.236 1.00 0.00 O ATOM 0 H TYR A 76 -10.576 -2.877 2.954 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.765 -4.506 4.642 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.138 -3.063 2.037 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.034 -4.056 2.969 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -10.258 -4.225 1.081 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.884 -6.378 2.543 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.975 -6.206 -0.182 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.599 -8.359 1.280 1.00 0.00 H new ATOM 0 HH TYR A 76 -10.557 -8.306 -0.721 1.00 0.00 H new ATOM 1107 N PHE A 77 -8.923 -1.261 4.092 1.00 0.00 N ATOM 1108 CA PHE A 77 -8.562 0.042 4.641 1.00 0.00 C ATOM 1109 C PHE A 77 -9.565 1.108 4.212 1.00 0.00 C ATOM 1110 O PHE A 77 -10.313 0.921 3.253 1.00 0.00 O ATOM 1111 CB PHE A 77 -7.155 0.436 4.191 1.00 0.00 C ATOM 1112 CG PHE A 77 -6.994 0.490 2.699 1.00 0.00 C ATOM 1113 CD1 PHE A 77 -6.616 -0.639 1.988 1.00 0.00 C ATOM 1114 CD2 PHE A 77 -7.222 1.668 2.005 1.00 0.00 C ATOM 1115 CE1 PHE A 77 -6.468 -0.593 0.616 1.00 0.00 C ATOM 1116 CE2 PHE A 77 -7.075 1.720 0.633 1.00 0.00 C ATOM 1117 CZ PHE A 77 -6.697 0.588 -0.064 1.00 0.00 C ATOM 0 H PHE A 77 -9.552 -1.221 3.290 1.00 0.00 H new ATOM 0 HA PHE A 77 -8.580 -0.031 5.728 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -6.908 1.411 4.610 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.439 -0.277 4.600 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -6.435 -1.565 2.514 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.518 2.556 2.544 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.173 -1.480 0.074 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -7.255 2.645 0.105 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.581 0.626 -1.137 1.00 0.00 H new ATOM 1127 N THR A 78 -9.573 2.227 4.929 1.00 0.00 N ATOM 1128 CA THR A 78 -10.482 3.325 4.621 1.00 0.00 C ATOM 1129 C THR A 78 -9.848 4.298 3.634 1.00 0.00 C ATOM 1130 O THR A 78 -8.770 4.837 3.883 1.00 0.00 O ATOM 1131 CB THR A 78 -10.874 4.063 5.902 1.00 0.00 C ATOM 1132 OG1 THR A 78 -11.105 3.148 6.959 1.00 0.00 O ATOM 1133 CG2 THR A 78 -12.118 4.910 5.749 1.00 0.00 C ATOM 0 H THR A 78 -8.961 2.397 5.727 1.00 0.00 H new ATOM 0 HA THR A 78 -11.377 2.904 4.162 1.00 0.00 H new ATOM 0 HB THR A 78 -10.032 4.719 6.124 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.353 3.640 7.769 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.339 5.405 6.694 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.954 5.660 4.976 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.958 4.275 5.467 1.00 0.00 H new ATOM 1141 N CYS A 79 -10.525 4.518 2.512 1.00 0.00 N ATOM 1142 CA CYS A 79 -10.027 5.428 1.485 1.00 0.00 C ATOM 1143 C CYS A 79 -11.179 6.151 0.794 1.00 0.00 C ATOM 1144 O CYS A 79 -12.344 5.964 1.147 1.00 0.00 O ATOM 1145 CB CYS A 79 -9.199 4.661 0.453 1.00 0.00 C ATOM 1146 SG CYS A 79 -10.137 3.422 -0.473 1.00 0.00 S ATOM 0 H CYS A 79 -11.419 4.080 2.290 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.394 6.171 1.969 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.765 5.372 -0.250 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.370 4.168 0.961 1.00 0.00 H new ATOM 0 HG CYS A 79 -10.850 4.011 -1.386 1.00 0.00 H new ATOM 1152 N ALA A 80 -10.846 6.977 -0.192 1.00 0.00 N ATOM 1153 CA ALA A 80 -11.851 7.728 -0.933 1.00 0.00 C ATOM 1154 C ALA A 80 -12.304 6.964 -2.175 1.00 0.00 C ATOM 1155 O ALA A 80 -11.649 6.015 -2.602 1.00 0.00 O ATOM 1156 CB ALA A 80 -11.308 9.096 -1.321 1.00 0.00 C ATOM 0 H ALA A 80 -9.887 7.143 -0.496 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.718 7.863 -0.286 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.069 9.646 -1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -11.042 9.650 -0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.424 8.973 -1.946 1.00 0.00 H new ATOM 1162 N PRO A 81 -13.437 7.372 -2.773 1.00 0.00 N ATOM 1163 CA PRO A 81 -13.975 6.721 -3.971 1.00 0.00 C ATOM 1164 C PRO A 81 -12.937 6.609 -5.084 1.00 0.00 C ATOM 1165 O PRO A 81 -12.463 7.617 -5.607 1.00 0.00 O ATOM 1166 CB PRO A 81 -15.119 7.645 -4.397 1.00 0.00 C ATOM 1167 CG PRO A 81 -15.532 8.338 -3.145 1.00 0.00 C ATOM 1168 CD PRO A 81 -14.280 8.498 -2.328 1.00 0.00 C ATOM 0 HA PRO A 81 -14.290 5.697 -3.771 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -14.792 8.357 -5.154 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -15.945 7.079 -4.828 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -15.981 9.307 -3.365 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -16.279 7.756 -2.605 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.799 9.458 -2.513 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -14.488 8.447 -1.259 1.00 0.00 H new ATOM 1176 N ARG A 82 -12.590 5.377 -5.440 1.00 0.00 N ATOM 1177 CA ARG A 82 -11.608 5.132 -6.491 1.00 0.00 C ATOM 1178 C ARG A 82 -10.249 5.715 -6.111 1.00 0.00 C ATOM 1179 O ARG A 82 -9.702 6.560 -6.822 1.00 0.00 O ATOM 1180 CB ARG A 82 -12.087 5.734 -7.815 1.00 0.00 C ATOM 1181 CG ARG A 82 -12.882 4.762 -8.672 1.00 0.00 C ATOM 1182 CD ARG A 82 -13.701 5.488 -9.727 1.00 0.00 C ATOM 1183 NE ARG A 82 -15.123 5.512 -9.394 1.00 0.00 N ATOM 1184 CZ ARG A 82 -16.045 6.134 -10.125 1.00 0.00 C ATOM 1185 NH1 ARG A 82 -15.700 6.785 -11.229 1.00 0.00 N ATOM 1186 NH2 ARG A 82 -17.318 6.106 -9.751 1.00 0.00 N ATOM 0 H ARG A 82 -12.974 4.532 -5.016 1.00 0.00 H new ATOM 0 HA ARG A 82 -11.499 4.054 -6.611 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -12.703 6.608 -7.605 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -11.222 6.081 -8.381 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -12.201 4.062 -9.157 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.545 4.174 -8.037 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -13.335 6.510 -9.830 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -13.563 5.001 -10.692 1.00 0.00 H new ATOM 0 HE ARG A 82 -15.427 5.023 -8.552 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -14.723 6.811 -11.522 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -16.412 7.260 -11.785 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -17.590 5.608 -8.903 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -18.025 6.583 -10.311 1.00 0.00 H new ATOM 1200 N HIS A 83 -9.709 5.257 -4.987 1.00 0.00 N ATOM 1201 CA HIS A 83 -8.414 5.731 -4.513 1.00 0.00 C ATOM 1202 C HIS A 83 -7.489 4.561 -4.195 1.00 0.00 C ATOM 1203 O HIS A 83 -6.330 4.543 -4.608 1.00 0.00 O ATOM 1204 CB HIS A 83 -8.592 6.606 -3.269 1.00 0.00 C ATOM 1205 CG HIS A 83 -8.870 8.043 -3.583 1.00 0.00 C ATOM 1206 ND1 HIS A 83 -8.295 9.100 -2.914 1.00 0.00 N ATOM 1207 CD2 HIS A 83 -9.684 8.592 -4.521 1.00 0.00 C ATOM 1208 CE1 HIS A 83 -8.766 10.233 -3.453 1.00 0.00 C ATOM 1209 NE2 HIS A 83 -9.612 9.979 -4.432 1.00 0.00 N ATOM 0 H HIS A 83 -10.148 4.558 -4.387 1.00 0.00 H new ATOM 0 HA HIS A 83 -7.960 6.325 -5.306 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -9.411 6.209 -2.669 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -7.691 6.544 -2.659 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -7.629 9.033 -2.145 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -10.291 8.040 -5.224 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -8.489 11.225 -3.128 1.00 0.00 H new ATOM 1217 N GLY A 84 -8.010 3.583 -3.461 1.00 0.00 N ATOM 1218 CA GLY A 84 -7.219 2.422 -3.102 1.00 0.00 C ATOM 1219 C GLY A 84 -6.858 1.572 -4.305 1.00 0.00 C ATOM 1220 O GLY A 84 -7.625 1.484 -5.264 1.00 0.00 O ATOM 0 H GLY A 84 -8.967 3.575 -3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.306 2.748 -2.604 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.773 1.816 -2.386 1.00 0.00 H new ATOM 1224 N VAL A 85 -5.688 0.943 -4.253 1.00 0.00 N ATOM 1225 CA VAL A 85 -5.229 0.095 -5.346 1.00 0.00 C ATOM 1226 C VAL A 85 -4.278 -0.986 -4.842 1.00 0.00 C ATOM 1227 O VAL A 85 -3.253 -0.688 -4.229 1.00 0.00 O ATOM 1228 CB VAL A 85 -4.517 0.918 -6.436 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -5.530 1.694 -7.265 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -3.495 1.857 -5.814 1.00 0.00 C ATOM 0 H VAL A 85 -5.042 1.005 -3.466 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.115 -0.373 -5.774 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.989 0.232 -7.098 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.009 2.270 -8.030 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -6.220 0.998 -7.742 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.087 2.371 -6.618 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.002 2.430 -6.599 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.998 2.539 -5.128 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.752 1.276 -5.268 1.00 0.00 H new ATOM 1240 N PHE A 86 -4.625 -2.241 -5.105 1.00 0.00 N ATOM 1241 CA PHE A 86 -3.803 -3.367 -4.677 1.00 0.00 C ATOM 1242 C PHE A 86 -2.948 -3.883 -5.829 1.00 0.00 C ATOM 1243 O PHE A 86 -3.468 -4.286 -6.869 1.00 0.00 O ATOM 1244 CB PHE A 86 -4.685 -4.494 -4.137 1.00 0.00 C ATOM 1245 CG PHE A 86 -5.092 -4.304 -2.703 1.00 0.00 C ATOM 1246 CD1 PHE A 86 -4.215 -4.607 -1.674 1.00 0.00 C ATOM 1247 CD2 PHE A 86 -6.352 -3.824 -2.385 1.00 0.00 C ATOM 1248 CE1 PHE A 86 -4.587 -4.433 -0.355 1.00 0.00 C ATOM 1249 CE2 PHE A 86 -6.730 -3.648 -1.067 1.00 0.00 C ATOM 1250 CZ PHE A 86 -5.846 -3.953 -0.051 1.00 0.00 C ATOM 0 H PHE A 86 -5.470 -2.504 -5.612 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.142 -3.021 -3.883 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.581 -4.570 -4.753 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.151 -5.440 -4.232 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.230 -4.983 -1.906 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.047 -3.584 -3.176 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.894 -4.672 0.438 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.715 -3.273 -0.832 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.139 -3.816 0.980 1.00 0.00 H new ATOM 1260 N ALA A 87 -1.632 -3.869 -5.637 1.00 0.00 N ATOM 1261 CA ALA A 87 -0.706 -4.336 -6.662 1.00 0.00 C ATOM 1262 C ALA A 87 0.450 -5.118 -6.043 1.00 0.00 C ATOM 1263 O ALA A 87 0.878 -4.828 -4.927 1.00 0.00 O ATOM 1264 CB ALA A 87 -0.178 -3.160 -7.469 1.00 0.00 C ATOM 0 H ALA A 87 -1.184 -3.540 -4.782 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.248 -5.007 -7.329 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.512 -3.522 -8.231 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.010 -2.645 -7.949 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.343 -2.469 -6.807 1.00 0.00 H new ATOM 1270 N PRO A 88 0.973 -6.127 -6.763 1.00 0.00 N ATOM 1271 CA PRO A 88 2.085 -6.951 -6.276 1.00 0.00 C ATOM 1272 C PRO A 88 3.321 -6.118 -5.947 1.00 0.00 C ATOM 1273 O PRO A 88 3.674 -5.198 -6.683 1.00 0.00 O ATOM 1274 CB PRO A 88 2.379 -7.897 -7.445 1.00 0.00 C ATOM 1275 CG PRO A 88 1.128 -7.911 -8.254 1.00 0.00 C ATOM 1276 CD PRO A 88 0.524 -6.544 -8.103 1.00 0.00 C ATOM 0 HA PRO A 88 1.828 -7.467 -5.351 1.00 0.00 H new ATOM 0 HB2 PRO A 88 3.226 -7.545 -8.034 1.00 0.00 H new ATOM 0 HB3 PRO A 88 2.631 -8.896 -7.090 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.342 -8.130 -9.300 1.00 0.00 H new ATOM 0 HG3 PRO A 88 0.443 -8.682 -7.901 1.00 0.00 H new ATOM 0 HD2 PRO A 88 0.875 -5.861 -8.876 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.563 -6.574 -8.173 1.00 0.00 H new ATOM 1284 N ALA A 89 3.973 -6.448 -4.833 1.00 0.00 N ATOM 1285 CA ALA A 89 5.172 -5.732 -4.408 1.00 0.00 C ATOM 1286 C ALA A 89 6.139 -5.585 -5.573 1.00 0.00 C ATOM 1287 O ALA A 89 6.591 -4.485 -5.890 1.00 0.00 O ATOM 1288 CB ALA A 89 5.837 -6.455 -3.245 1.00 0.00 C ATOM 0 H ALA A 89 3.691 -7.205 -4.211 1.00 0.00 H new ATOM 0 HA ALA A 89 4.884 -4.736 -4.072 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.730 -5.909 -2.940 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.142 -6.512 -2.407 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.116 -7.462 -3.554 1.00 0.00 H new ATOM 1294 N SER A 90 6.435 -6.709 -6.223 1.00 0.00 N ATOM 1295 CA SER A 90 7.327 -6.710 -7.373 1.00 0.00 C ATOM 1296 C SER A 90 6.806 -5.742 -8.428 1.00 0.00 C ATOM 1297 O SER A 90 7.569 -5.224 -9.244 1.00 0.00 O ATOM 1298 CB SER A 90 7.443 -8.117 -7.960 1.00 0.00 C ATOM 1299 OG SER A 90 8.634 -8.258 -8.715 1.00 0.00 O ATOM 0 H SER A 90 6.069 -7.627 -5.971 1.00 0.00 H new ATOM 0 HA SER A 90 8.318 -6.390 -7.050 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.430 -8.852 -7.155 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.580 -8.322 -8.594 1.00 0.00 H new ATOM 0 HG SER A 90 8.685 -9.167 -9.078 1.00 0.00 H new ATOM 1305 N ARG A 91 5.498 -5.489 -8.391 1.00 0.00 N ATOM 1306 CA ARG A 91 4.875 -4.568 -9.328 1.00 0.00 C ATOM 1307 C ARG A 91 4.914 -3.142 -8.782 1.00 0.00 C ATOM 1308 O ARG A 91 4.685 -2.181 -9.516 1.00 0.00 O ATOM 1309 CB ARG A 91 3.428 -4.986 -9.604 1.00 0.00 C ATOM 1310 CG ARG A 91 3.250 -5.728 -10.919 1.00 0.00 C ATOM 1311 CD ARG A 91 2.190 -5.074 -11.792 1.00 0.00 C ATOM 1312 NE ARG A 91 1.307 -6.059 -12.414 1.00 0.00 N ATOM 1313 CZ ARG A 91 1.643 -6.791 -13.473 1.00 0.00 C ATOM 1314 NH1 ARG A 91 2.838 -6.653 -14.033 1.00 0.00 N ATOM 1315 NH2 ARG A 91 0.780 -7.664 -13.975 1.00 0.00 N ATOM 0 H ARG A 91 4.854 -5.911 -7.722 1.00 0.00 H new ATOM 0 HA ARG A 91 5.434 -4.599 -10.263 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.080 -5.620 -8.789 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.796 -4.098 -9.609 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.199 -5.753 -11.455 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.970 -6.762 -10.719 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.598 -4.386 -11.189 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.675 -4.481 -12.568 1.00 0.00 H new ATOM 0 HE ARG A 91 0.379 -6.193 -12.013 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.506 -5.983 -13.652 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.089 -7.217 -14.845 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.140 -7.774 -13.549 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.037 -8.226 -14.787 1.00 0.00 H new ATOM 1329 N ILE A 92 5.208 -3.010 -7.487 1.00 0.00 N ATOM 1330 CA ILE A 92 5.277 -1.699 -6.852 1.00 0.00 C ATOM 1331 C ILE A 92 6.712 -1.348 -6.474 1.00 0.00 C ATOM 1332 O ILE A 92 7.551 -2.229 -6.292 1.00 0.00 O ATOM 1333 CB ILE A 92 4.396 -1.638 -5.589 1.00 0.00 C ATOM 1334 CG1 ILE A 92 2.986 -2.142 -5.900 1.00 0.00 C ATOM 1335 CG2 ILE A 92 4.348 -0.218 -5.043 1.00 0.00 C ATOM 1336 CD1 ILE A 92 2.159 -2.423 -4.665 1.00 0.00 C ATOM 0 H ILE A 92 5.401 -3.793 -6.863 1.00 0.00 H new ATOM 0 HA ILE A 92 4.907 -0.976 -7.579 1.00 0.00 H new ATOM 0 HB ILE A 92 4.834 -2.284 -4.828 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.471 -1.401 -6.512 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.057 -3.053 -6.495 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.722 -0.192 -4.151 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.356 0.108 -4.788 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.931 0.448 -5.798 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.171 -2.777 -4.961 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.652 -3.186 -4.063 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.057 -1.509 -4.080 1.00 0.00 H new ATOM 1348 N GLN A 93 6.986 -0.052 -6.356 1.00 0.00 N ATOM 1349 CA GLN A 93 8.320 0.417 -5.999 1.00 0.00 C ATOM 1350 C GLN A 93 8.270 1.297 -4.753 1.00 0.00 C ATOM 1351 O GLN A 93 7.193 1.620 -4.253 1.00 0.00 O ATOM 1352 CB GLN A 93 8.939 1.194 -7.162 1.00 0.00 C ATOM 1353 CG GLN A 93 9.527 0.304 -8.244 1.00 0.00 C ATOM 1354 CD GLN A 93 8.680 0.275 -9.501 1.00 0.00 C ATOM 1355 OE1 GLN A 93 7.627 -0.361 -9.539 1.00 0.00 O ATOM 1356 NE2 GLN A 93 9.139 0.965 -10.539 1.00 0.00 N ATOM 0 H GLN A 93 6.303 0.691 -6.502 1.00 0.00 H new ATOM 0 HA GLN A 93 8.939 -0.454 -5.784 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.178 1.836 -7.605 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.721 1.847 -6.776 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.528 0.655 -8.493 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.632 -0.710 -7.858 1.00 0.00 H new ATOM 0 HE21 GLN A 93 10.017 1.478 -10.462 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.613 0.982 -11.413 1.00 0.00 H new ATOM 1365 N ARG A 94 9.443 1.680 -4.258 1.00 0.00 N ATOM 1366 CA ARG A 94 9.532 2.523 -3.071 1.00 0.00 C ATOM 1367 C ARG A 94 10.148 3.877 -3.410 1.00 0.00 C ATOM 1368 O ARG A 94 11.093 3.962 -4.193 1.00 0.00 O ATOM 1369 CB ARG A 94 10.358 1.826 -1.987 1.00 0.00 C ATOM 1370 CG ARG A 94 9.545 1.428 -0.765 1.00 0.00 C ATOM 1371 CD ARG A 94 10.379 0.636 0.229 1.00 0.00 C ATOM 1372 NE ARG A 94 10.665 1.406 1.439 1.00 0.00 N ATOM 1373 CZ ARG A 94 11.049 0.860 2.591 1.00 0.00 C ATOM 1374 NH1 ARG A 94 11.195 -0.455 2.695 1.00 0.00 N ATOM 1375 NH2 ARG A 94 11.287 1.631 3.642 1.00 0.00 N ATOM 0 H ARG A 94 10.344 1.420 -4.660 1.00 0.00 H new ATOM 0 HA ARG A 94 8.522 2.690 -2.696 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.821 0.935 -2.411 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.166 2.488 -1.676 1.00 0.00 H new ATOM 0 HG2 ARG A 94 9.153 2.323 -0.281 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.687 0.833 -1.077 1.00 0.00 H new ATOM 0 HD2 ARG A 94 9.851 -0.279 0.498 1.00 0.00 H new ATOM 0 HD3 ARG A 94 11.316 0.337 -0.241 1.00 0.00 H new ATOM 0 HE ARG A 94 10.564 2.420 1.398 1.00 0.00 H new ATOM 0 HH11 ARG A 94 11.013 -1.054 1.890 1.00 0.00 H new ATOM 0 HH12 ARG A 94 11.489 -0.867 3.580 1.00 0.00 H new ATOM 0 HH21 ARG A 94 11.176 2.642 3.568 1.00 0.00 H new ATOM 0 HH22 ARG A 94 11.581 1.213 4.525 1.00 0.00 H new ATOM 1389 N ILE A 95 9.605 4.934 -2.813 1.00 0.00 N ATOM 1390 CA ILE A 95 10.101 6.284 -3.050 1.00 0.00 C ATOM 1391 C ILE A 95 11.322 6.580 -2.187 1.00 0.00 C ATOM 1392 O ILE A 95 12.277 7.211 -2.640 1.00 0.00 O ATOM 1393 CB ILE A 95 9.016 7.341 -2.763 1.00 0.00 C ATOM 1394 CG1 ILE A 95 7.699 6.949 -3.435 1.00 0.00 C ATOM 1395 CG2 ILE A 95 9.473 8.711 -3.239 1.00 0.00 C ATOM 1396 CD1 ILE A 95 7.773 6.929 -4.946 1.00 0.00 C ATOM 0 H ILE A 95 8.822 4.881 -2.162 1.00 0.00 H new ATOM 0 HA ILE A 95 10.380 6.337 -4.102 1.00 0.00 H new ATOM 0 HB ILE A 95 8.852 7.388 -1.686 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.400 5.962 -3.081 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.921 7.648 -3.127 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.696 9.447 -3.030 1.00 0.00 H new ATOM 0 HG22 ILE A 95 10.388 8.991 -2.717 1.00 0.00 H new ATOM 0 HG23 ILE A 95 9.662 8.679 -4.312 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.804 6.643 -5.354 1.00 0.00 H new ATOM 0 HD12 ILE A 95 8.042 7.921 -5.310 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.527 6.209 -5.264 1.00 0.00 H new ATOM 1408 N GLY A 96 11.285 6.119 -0.940 1.00 0.00 N ATOM 1409 CA GLY A 96 12.395 6.345 -0.033 1.00 0.00 C ATOM 1410 C GLY A 96 13.462 5.274 -0.146 1.00 0.00 C ATOM 1411 O GLY A 96 13.350 4.360 -0.963 1.00 0.00 O ATOM 0 H GLY A 96 10.507 5.593 -0.542 1.00 0.00 H new ATOM 0 HA2 GLY A 96 12.838 7.319 -0.241 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.023 6.377 0.991 1.00 0.00 H new ATOM 1415 N SER A 97 14.501 5.389 0.675 1.00 0.00 N ATOM 1416 CA SER A 97 15.594 4.424 0.663 1.00 0.00 C ATOM 1417 C SER A 97 15.303 3.258 1.602 1.00 0.00 C ATOM 1418 O SER A 97 15.451 2.095 1.229 1.00 0.00 O ATOM 1419 CB SER A 97 16.906 5.102 1.066 1.00 0.00 C ATOM 1420 OG SER A 97 17.198 6.194 0.211 1.00 0.00 O ATOM 0 H SER A 97 14.609 6.140 1.356 1.00 0.00 H new ATOM 0 HA SER A 97 15.689 4.035 -0.351 1.00 0.00 H new ATOM 0 HB2 SER A 97 16.837 5.451 2.096 1.00 0.00 H new ATOM 0 HB3 SER A 97 17.720 4.378 1.028 1.00 0.00 H new ATOM 0 HG SER A 97 18.040 6.612 0.490 1.00 0.00 H new ATOM 1426 N GLY A 98 14.888 3.579 2.824 1.00 0.00 N ATOM 1427 CA GLY A 98 14.582 2.548 3.797 1.00 0.00 C ATOM 1428 C GLY A 98 14.977 2.946 5.208 1.00 0.00 C ATOM 1429 O GLY A 98 16.122 2.744 5.612 1.00 0.00 O ATOM 0 H GLY A 98 14.759 4.534 3.157 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.514 2.332 3.769 1.00 0.00 H new ATOM 0 HA3 GLY A 98 15.100 1.629 3.523 1.00 0.00 H new ATOM 1433 N PRO A 99 14.044 3.519 5.987 1.00 0.00 N ATOM 1434 CA PRO A 99 14.317 3.942 7.364 1.00 0.00 C ATOM 1435 C PRO A 99 14.951 2.834 8.197 1.00 0.00 C ATOM 1436 O PRO A 99 14.779 1.650 7.907 1.00 0.00 O ATOM 1437 CB PRO A 99 12.930 4.294 7.909 1.00 0.00 C ATOM 1438 CG PRO A 99 12.133 4.660 6.706 1.00 0.00 C ATOM 1439 CD PRO A 99 12.651 3.799 5.587 1.00 0.00 C ATOM 0 HA PRO A 99 15.028 4.768 7.403 1.00 0.00 H new ATOM 0 HB2 PRO A 99 12.486 3.450 8.436 1.00 0.00 H new ATOM 0 HB3 PRO A 99 12.981 5.121 8.617 1.00 0.00 H new ATOM 0 HG2 PRO A 99 11.070 4.484 6.874 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.247 5.718 6.469 1.00 0.00 H new ATOM 0 HD2 PRO A 99 12.071 2.882 5.484 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.604 4.315 4.628 1.00 0.00 H new ATOM 1447 N SER A 100 15.684 3.227 9.234 1.00 0.00 N ATOM 1448 CA SER A 100 16.345 2.266 10.111 1.00 0.00 C ATOM 1449 C SER A 100 15.844 2.404 11.545 1.00 0.00 C ATOM 1450 O SER A 100 16.269 3.296 12.279 1.00 0.00 O ATOM 1451 CB SER A 100 17.862 2.465 10.069 1.00 0.00 C ATOM 1452 OG SER A 100 18.543 1.241 10.282 1.00 0.00 O ATOM 0 H SER A 100 15.835 4.203 9.488 1.00 0.00 H new ATOM 0 HA SER A 100 16.106 1.264 9.756 1.00 0.00 H new ATOM 0 HB2 SER A 100 18.151 2.882 9.104 1.00 0.00 H new ATOM 0 HB3 SER A 100 18.158 3.187 10.830 1.00 0.00 H new ATOM 0 HG SER A 100 19.510 1.395 10.249 1.00 0.00 H new ATOM 1458 N SER A 101 14.937 1.514 11.937 1.00 0.00 N ATOM 1459 CA SER A 101 14.376 1.537 13.283 1.00 0.00 C ATOM 1460 C SER A 101 13.627 0.243 13.583 1.00 0.00 C ATOM 1461 O SER A 101 13.821 -0.369 14.634 1.00 0.00 O ATOM 1462 CB SER A 101 13.437 2.734 13.447 1.00 0.00 C ATOM 1463 OG SER A 101 12.826 2.731 14.726 1.00 0.00 O ATOM 0 H SER A 101 14.575 0.769 11.342 1.00 0.00 H new ATOM 0 HA SER A 101 15.200 1.631 13.991 1.00 0.00 H new ATOM 0 HB2 SER A 101 13.995 3.660 13.309 1.00 0.00 H new ATOM 0 HB3 SER A 101 12.669 2.707 12.674 1.00 0.00 H new ATOM 0 HG SER A 101 12.232 3.506 14.807 1.00 0.00 H new ATOM 1469 N GLY A 102 12.771 -0.168 12.653 1.00 0.00 N ATOM 1470 CA GLY A 102 12.006 -1.387 12.838 1.00 0.00 C ATOM 1471 C GLY A 102 12.726 -2.610 12.304 1.00 0.00 C ATOM 1472 O GLY A 102 12.915 -3.572 13.078 1.00 0.00 O ATOM 1473 OXT GLY A 102 13.100 -2.606 11.113 1.00 0.00 O ATOM 0 H GLY A 102 12.594 0.321 11.776 1.00 0.00 H new ATOM 0 HA2 GLY A 102 11.800 -1.525 13.899 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.043 -1.288 12.336 1.00 0.00 H new TER 1477 GLY A 102