USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 750 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 32 SER OG : rot 65:sc= 0.869 USER MOD Set 1.2: A 80 SER OG : rot 170:sc= 0.00131 USER MOD Set 1.3: A 87 SER OG : rot -171:sc= 0.62 USER MOD Set 2.1: A 36 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 37 HIS : no HD1:sc= -5.49! C(o=-5.5!,f=-9.4!) USER MOD Set 2.3: A 57 GLN : amide:sc= 0 K(o=-5.5,f=-7.4) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0864 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00459 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.235 X(o=-0.24,f=-0.0088) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.425 X(o=-0.42,f=-0.25) USER MOD Single : A 38 TYR OH : rot 100:sc= -1.1 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -0.716 USER MOD Single : A 46 SER OG : rot 180:sc= -0.801 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 0:sc= -0.482 USER MOD Single : A 77 SER OG : rot 180:sc= -0.586 USER MOD Single : A 79 GLN : amide:sc= -0.421 K(o=-0.42,f=-1.4) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.00847 USER MOD Single : A 98 THR OG1 : rot 43:sc= 0.849 USER MOD Single : A 99 SER OG : rot 27:sc= 0.503 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.147 -17.398 -7.893 1.00 0.00 N ATOM 2 CA GLY A 1 -11.814 -18.799 -7.713 1.00 0.00 C ATOM 3 C GLY A 1 -11.711 -19.187 -6.252 1.00 0.00 C ATOM 4 O GLY A 1 -10.771 -18.790 -5.562 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.206 -17.183 -8.909 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.063 -17.198 -7.443 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.411 -16.807 -7.456 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.572 -19.415 -8.197 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.867 -19.011 -8.210 1.00 0.00 H new ATOM 8 N SER A 2 -12.679 -19.964 -5.777 1.00 0.00 N ATOM 9 CA SER A 2 -12.696 -20.402 -4.387 1.00 0.00 C ATOM 10 C SER A 2 -11.389 -21.098 -4.021 1.00 0.00 C ATOM 11 O SER A 2 -10.739 -20.745 -3.037 1.00 0.00 O ATOM 12 CB SER A 2 -13.876 -21.344 -4.141 1.00 0.00 C ATOM 13 OG SER A 2 -13.833 -22.455 -5.019 1.00 0.00 O ATOM 0 H SER A 2 -13.462 -20.303 -6.335 1.00 0.00 H new ATOM 0 HA SER A 2 -12.807 -19.521 -3.755 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.858 -21.692 -3.108 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.812 -20.803 -4.279 1.00 0.00 H new ATOM 0 HG SER A 2 -14.597 -23.043 -4.841 1.00 0.00 H new ATOM 19 N SER A 3 -11.011 -22.091 -4.820 1.00 0.00 N ATOM 20 CA SER A 3 -9.784 -22.841 -4.579 1.00 0.00 C ATOM 21 C SER A 3 -8.600 -22.186 -5.284 1.00 0.00 C ATOM 22 O SER A 3 -8.687 -21.815 -6.454 1.00 0.00 O ATOM 23 CB SER A 3 -9.942 -24.286 -5.057 1.00 0.00 C ATOM 24 OG SER A 3 -10.413 -24.332 -6.393 1.00 0.00 O ATOM 0 H SER A 3 -11.537 -22.395 -5.640 1.00 0.00 H new ATOM 0 HA SER A 3 -9.591 -22.840 -3.506 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.984 -24.802 -4.988 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.637 -24.814 -4.404 1.00 0.00 H new ATOM 0 HG SER A 3 -10.504 -25.266 -6.676 1.00 0.00 H new ATOM 30 N GLY A 4 -7.492 -22.049 -4.562 1.00 0.00 N ATOM 31 CA GLY A 4 -6.305 -21.439 -5.134 1.00 0.00 C ATOM 32 C GLY A 4 -5.031 -21.907 -4.460 1.00 0.00 C ATOM 33 O GLY A 4 -4.862 -21.741 -3.252 1.00 0.00 O ATOM 0 H GLY A 4 -7.395 -22.349 -3.592 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.257 -21.673 -6.198 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.380 -20.355 -5.049 1.00 0.00 H new ATOM 37 N SER A 5 -4.132 -22.496 -5.242 1.00 0.00 N ATOM 38 CA SER A 5 -2.868 -22.996 -4.713 1.00 0.00 C ATOM 39 C SER A 5 -1.891 -21.850 -4.469 1.00 0.00 C ATOM 40 O SER A 5 -2.068 -20.747 -4.986 1.00 0.00 O ATOM 41 CB SER A 5 -2.252 -24.010 -5.678 1.00 0.00 C ATOM 42 OG SER A 5 -1.848 -23.386 -6.884 1.00 0.00 O ATOM 0 H SER A 5 -4.255 -22.639 -6.244 1.00 0.00 H new ATOM 0 HA SER A 5 -3.070 -23.488 -3.761 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.393 -24.489 -5.208 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.976 -24.795 -5.896 1.00 0.00 H new ATOM 0 HG SER A 5 -1.456 -24.055 -7.483 1.00 0.00 H new ATOM 48 N SER A 6 -0.858 -22.120 -3.678 1.00 0.00 N ATOM 49 CA SER A 6 0.147 -21.112 -3.361 1.00 0.00 C ATOM 50 C SER A 6 1.406 -21.759 -2.793 1.00 0.00 C ATOM 51 O SER A 6 1.333 -22.722 -2.031 1.00 0.00 O ATOM 52 CB SER A 6 -0.414 -20.098 -2.363 1.00 0.00 C ATOM 53 OG SER A 6 -0.641 -20.698 -1.099 1.00 0.00 O ATOM 0 H SER A 6 -0.695 -23.029 -3.245 1.00 0.00 H new ATOM 0 HA SER A 6 0.410 -20.595 -4.284 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.282 -19.266 -2.254 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.347 -19.685 -2.746 1.00 0.00 H new ATOM 0 HG SER A 6 -0.998 -20.029 -0.479 1.00 0.00 H new ATOM 59 N GLY A 7 2.563 -21.221 -3.170 1.00 0.00 N ATOM 60 CA GLY A 7 3.822 -21.758 -2.689 1.00 0.00 C ATOM 61 C GLY A 7 4.351 -21.007 -1.484 1.00 0.00 C ATOM 62 O GLY A 7 3.673 -20.153 -0.911 1.00 0.00 O ATOM 0 H GLY A 7 2.650 -20.423 -3.800 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.690 -22.808 -2.429 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.560 -21.719 -3.490 1.00 0.00 H new ATOM 66 N PRO A 8 5.589 -21.325 -1.079 1.00 0.00 N ATOM 67 CA PRO A 8 6.235 -20.686 0.071 1.00 0.00 C ATOM 68 C PRO A 8 6.593 -19.229 -0.200 1.00 0.00 C ATOM 69 O PRO A 8 7.711 -18.920 -0.614 1.00 0.00 O ATOM 70 CB PRO A 8 7.503 -21.519 0.274 1.00 0.00 C ATOM 71 CG PRO A 8 7.792 -22.102 -1.066 1.00 0.00 C ATOM 72 CD PRO A 8 6.455 -22.334 -1.714 1.00 0.00 C ATOM 0 HA PRO A 8 5.581 -20.660 0.943 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.330 -20.902 0.624 1.00 0.00 H new ATOM 0 HB3 PRO A 8 7.349 -22.299 1.020 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.403 -21.424 -1.663 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.348 -23.035 -0.974 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.503 -22.199 -2.795 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.092 -23.346 -1.535 1.00 0.00 H new ATOM 80 N LEU A 9 5.637 -18.337 0.034 1.00 0.00 N ATOM 81 CA LEU A 9 5.852 -16.910 -0.185 1.00 0.00 C ATOM 82 C LEU A 9 5.314 -16.093 0.985 1.00 0.00 C ATOM 83 O LEU A 9 4.126 -15.776 1.058 1.00 0.00 O ATOM 84 CB LEU A 9 5.178 -16.467 -1.485 1.00 0.00 C ATOM 85 CG LEU A 9 5.697 -15.167 -2.100 1.00 0.00 C ATOM 86 CD1 LEU A 9 7.113 -15.352 -2.624 1.00 0.00 C ATOM 87 CD2 LEU A 9 4.772 -14.696 -3.212 1.00 0.00 C ATOM 0 H LEU A 9 4.706 -18.576 0.375 1.00 0.00 H new ATOM 0 HA LEU A 9 6.925 -16.736 -0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.292 -17.264 -2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.110 -16.356 -1.298 1.00 0.00 H new ATOM 0 HG LEU A 9 5.716 -14.403 -1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.465 -14.416 -3.058 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.770 -15.642 -1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.120 -16.131 -3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.157 -13.770 -3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.720 -15.458 -3.989 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.775 -14.522 -2.807 1.00 0.00 H new ATOM 99 N PRO A 10 6.207 -15.740 1.922 1.00 0.00 N ATOM 100 CA PRO A 10 5.845 -14.952 3.103 1.00 0.00 C ATOM 101 C PRO A 10 5.496 -13.510 2.754 1.00 0.00 C ATOM 102 O PRO A 10 6.353 -12.713 2.372 1.00 0.00 O ATOM 103 CB PRO A 10 7.110 -15.002 3.964 1.00 0.00 C ATOM 104 CG PRO A 10 8.218 -15.233 2.995 1.00 0.00 C ATOM 105 CD PRO A 10 7.639 -16.083 1.898 1.00 0.00 C ATOM 0 HA PRO A 10 4.958 -15.346 3.599 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.252 -14.071 4.514 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.056 -15.803 4.702 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.594 -14.289 2.600 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.058 -15.735 3.475 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.091 -15.856 0.932 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.801 -17.145 2.084 1.00 0.00 H new ATOM 113 N PRO A 11 4.207 -13.163 2.886 1.00 0.00 N ATOM 114 CA PRO A 11 3.715 -11.814 2.590 1.00 0.00 C ATOM 115 C PRO A 11 4.197 -10.785 3.607 1.00 0.00 C ATOM 116 O PRO A 11 4.752 -11.123 4.653 1.00 0.00 O ATOM 117 CB PRO A 11 2.193 -11.967 2.665 1.00 0.00 C ATOM 118 CG PRO A 11 1.973 -13.130 3.570 1.00 0.00 C ATOM 119 CD PRO A 11 3.130 -14.062 3.336 1.00 0.00 C ATOM 0 HA PRO A 11 4.074 -11.452 1.627 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.723 -11.065 3.058 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.764 -12.146 1.679 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.933 -12.812 4.612 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.025 -13.622 3.350 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.406 -14.596 4.245 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.894 -14.814 2.584 1.00 0.00 H new ATOM 127 N PRO A 12 3.982 -9.499 3.295 1.00 0.00 N ATOM 128 CA PRO A 12 4.387 -8.394 4.169 1.00 0.00 C ATOM 129 C PRO A 12 3.551 -8.327 5.443 1.00 0.00 C ATOM 130 O PRO A 12 2.331 -8.490 5.406 1.00 0.00 O ATOM 131 CB PRO A 12 4.147 -7.152 3.306 1.00 0.00 C ATOM 132 CG PRO A 12 3.093 -7.563 2.337 1.00 0.00 C ATOM 133 CD PRO A 12 3.327 -9.023 2.065 1.00 0.00 C ATOM 0 HA PRO A 12 5.417 -8.500 4.510 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.820 -6.306 3.911 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.058 -6.844 2.793 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.098 -7.398 2.750 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.158 -6.980 1.419 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.392 -9.551 1.877 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.959 -9.172 1.190 1.00 0.00 H new ATOM 141 N ARG A 13 4.215 -8.085 6.569 1.00 0.00 N ATOM 142 CA ARG A 13 3.532 -7.997 7.854 1.00 0.00 C ATOM 143 C ARG A 13 3.852 -6.677 8.550 1.00 0.00 C ATOM 144 O ARG A 13 2.977 -6.050 9.146 1.00 0.00 O ATOM 145 CB ARG A 13 3.935 -9.169 8.750 1.00 0.00 C ATOM 146 CG ARG A 13 5.342 -9.682 8.488 1.00 0.00 C ATOM 147 CD ARG A 13 5.822 -10.589 9.610 1.00 0.00 C ATOM 148 NE ARG A 13 5.488 -11.989 9.363 1.00 0.00 N ATOM 149 CZ ARG A 13 5.669 -12.956 10.256 1.00 0.00 C ATOM 150 NH1 ARG A 13 6.178 -12.676 11.447 1.00 0.00 N ATOM 151 NH2 ARG A 13 5.340 -14.206 9.957 1.00 0.00 N ATOM 0 H ARG A 13 5.224 -7.947 6.617 1.00 0.00 H new ATOM 0 HA ARG A 13 2.458 -8.041 7.671 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.858 -8.861 9.793 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.227 -9.985 8.606 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.362 -10.227 7.544 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.024 -8.839 8.383 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.902 -10.488 9.721 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.374 -10.270 10.551 1.00 0.00 H new ATOM 0 HE ARG A 13 5.094 -12.238 8.456 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.432 -11.716 11.680 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.316 -13.420 12.131 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.948 -14.425 9.041 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.479 -14.948 10.643 1.00 0.00 H new ATOM 165 N ALA A 14 5.113 -6.263 8.470 1.00 0.00 N ATOM 166 CA ALA A 14 5.548 -5.018 9.091 1.00 0.00 C ATOM 167 C ALA A 14 5.107 -3.811 8.270 1.00 0.00 C ATOM 168 O ALA A 14 5.931 -2.996 7.854 1.00 0.00 O ATOM 169 CB ALA A 14 7.059 -5.016 9.267 1.00 0.00 C ATOM 0 H ALA A 14 5.850 -6.771 7.982 1.00 0.00 H new ATOM 0 HA ALA A 14 5.079 -4.947 10.072 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.370 -4.080 9.732 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.352 -5.852 9.902 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.539 -5.114 8.293 1.00 0.00 H new ATOM 175 N LEU A 15 3.803 -3.703 8.038 1.00 0.00 N ATOM 176 CA LEU A 15 3.253 -2.595 7.265 1.00 0.00 C ATOM 177 C LEU A 15 3.124 -1.342 8.125 1.00 0.00 C ATOM 178 O LEU A 15 2.370 -1.318 9.098 1.00 0.00 O ATOM 179 CB LEU A 15 1.887 -2.977 6.692 1.00 0.00 C ATOM 180 CG LEU A 15 1.905 -3.870 5.451 1.00 0.00 C ATOM 181 CD1 LEU A 15 2.139 -5.321 5.840 1.00 0.00 C ATOM 182 CD2 LEU A 15 0.606 -3.727 4.672 1.00 0.00 C ATOM 0 H LEU A 15 3.107 -4.369 8.374 1.00 0.00 H new ATOM 0 HA LEU A 15 3.938 -2.381 6.445 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.317 -3.484 7.471 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.349 -2.061 6.448 1.00 0.00 H new ATOM 0 HG LEU A 15 2.727 -3.551 4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.149 -5.941 4.944 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.097 -5.410 6.353 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.340 -5.653 6.503 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.637 -4.370 3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.232 -4.018 5.305 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.481 -2.690 4.360 1.00 0.00 H new ATOM 194 N THR A 16 3.864 -0.300 7.758 1.00 0.00 N ATOM 195 CA THR A 16 3.832 0.957 8.495 1.00 0.00 C ATOM 196 C THR A 16 3.793 2.149 7.546 1.00 0.00 C ATOM 197 O THR A 16 4.336 2.095 6.441 1.00 0.00 O ATOM 198 CB THR A 16 5.053 1.095 9.424 1.00 0.00 C ATOM 199 OG1 THR A 16 5.181 -0.074 10.241 1.00 0.00 O ATOM 200 CG2 THR A 16 4.924 2.326 10.308 1.00 0.00 C ATOM 0 H THR A 16 4.493 -0.302 6.955 1.00 0.00 H new ATOM 0 HA THR A 16 2.925 0.946 9.099 1.00 0.00 H new ATOM 0 HB THR A 16 5.943 1.204 8.804 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.960 0.021 10.828 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.798 2.402 10.955 1.00 0.00 H new ATOM 0 HG22 THR A 16 4.856 3.217 9.684 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.026 2.242 10.920 1.00 0.00 H new ATOM 208 N LEU A 17 3.148 3.226 7.982 1.00 0.00 N ATOM 209 CA LEU A 17 3.039 4.433 7.170 1.00 0.00 C ATOM 210 C LEU A 17 4.229 5.357 7.406 1.00 0.00 C ATOM 211 O LEU A 17 4.339 5.989 8.456 1.00 0.00 O ATOM 212 CB LEU A 17 1.736 5.169 7.489 1.00 0.00 C ATOM 213 CG LEU A 17 1.263 6.180 6.444 1.00 0.00 C ATOM 214 CD1 LEU A 17 0.469 5.483 5.350 1.00 0.00 C ATOM 215 CD2 LEU A 17 0.430 7.272 7.097 1.00 0.00 C ATOM 0 H LEU A 17 2.693 3.288 8.893 1.00 0.00 H new ATOM 0 HA LEU A 17 3.035 4.137 6.121 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.949 4.428 7.631 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.859 5.689 8.439 1.00 0.00 H new ATOM 0 HG LEU A 17 2.140 6.643 5.990 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.140 6.218 4.615 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.098 4.738 4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.401 4.993 5.788 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.102 7.982 6.338 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.441 6.827 7.578 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.031 7.791 7.844 1.00 0.00 H new ATOM 227 N ALA A 18 5.118 5.432 6.420 1.00 0.00 N ATOM 228 CA ALA A 18 6.298 6.282 6.519 1.00 0.00 C ATOM 229 C ALA A 18 5.911 7.725 6.822 1.00 0.00 C ATOM 230 O ALA A 18 6.564 8.398 7.619 1.00 0.00 O ATOM 231 CB ALA A 18 7.109 6.209 5.233 1.00 0.00 C ATOM 0 H ALA A 18 5.043 4.914 5.544 1.00 0.00 H new ATOM 0 HA ALA A 18 6.911 5.918 7.344 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.987 6.848 5.320 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.425 5.180 5.060 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.496 6.546 4.397 1.00 0.00 H new ATOM 237 N ALA A 19 4.846 8.195 6.180 1.00 0.00 N ATOM 238 CA ALA A 19 4.372 9.558 6.382 1.00 0.00 C ATOM 239 C ALA A 19 2.914 9.701 5.958 1.00 0.00 C ATOM 240 O ALA A 19 2.457 9.028 5.035 1.00 0.00 O ATOM 241 CB ALA A 19 5.245 10.540 5.615 1.00 0.00 C ATOM 0 H ALA A 19 4.295 7.651 5.516 1.00 0.00 H new ATOM 0 HA ALA A 19 4.438 9.785 7.446 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.879 11.554 5.775 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.273 10.465 5.968 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.209 10.305 4.551 1.00 0.00 H new ATOM 247 N VAL A 20 2.188 10.582 6.640 1.00 0.00 N ATOM 248 CA VAL A 20 0.782 10.813 6.333 1.00 0.00 C ATOM 249 C VAL A 20 0.559 12.227 5.808 1.00 0.00 C ATOM 250 O VAL A 20 0.569 13.194 6.571 1.00 0.00 O ATOM 251 CB VAL A 20 -0.106 10.592 7.572 1.00 0.00 C ATOM 252 CG1 VAL A 20 0.280 11.554 8.685 1.00 0.00 C ATOM 253 CG2 VAL A 20 -1.575 10.747 7.208 1.00 0.00 C ATOM 0 H VAL A 20 2.551 11.147 7.408 1.00 0.00 H new ATOM 0 HA VAL A 20 0.504 10.094 5.562 1.00 0.00 H new ATOM 0 HB VAL A 20 0.051 9.576 7.933 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.358 11.383 9.552 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.321 11.390 8.963 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.154 12.580 8.339 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.188 10.588 8.095 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.750 11.751 6.821 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.841 10.014 6.447 1.00 0.00 H new ATOM 263 N THR A 21 0.357 12.342 4.499 1.00 0.00 N ATOM 264 CA THR A 21 0.133 13.637 3.870 1.00 0.00 C ATOM 265 C THR A 21 -1.214 13.676 3.157 1.00 0.00 C ATOM 266 O THR A 21 -1.610 12.730 2.476 1.00 0.00 O ATOM 267 CB THR A 21 1.246 13.972 2.860 1.00 0.00 C ATOM 268 OG1 THR A 21 2.476 13.361 3.266 1.00 0.00 O ATOM 269 CG2 THR A 21 1.437 15.477 2.744 1.00 0.00 C ATOM 0 H THR A 21 0.344 11.552 3.853 1.00 0.00 H new ATOM 0 HA THR A 21 0.141 14.381 4.667 1.00 0.00 H new ATOM 0 HB THR A 21 0.951 13.583 1.886 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.178 13.577 2.618 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.228 15.689 2.025 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.508 15.937 2.407 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.712 15.885 3.717 1.00 0.00 H new ATOM 277 N PRO A 22 -1.936 14.796 3.314 1.00 0.00 N ATOM 278 CA PRO A 22 -3.249 14.985 2.691 1.00 0.00 C ATOM 279 C PRO A 22 -3.155 15.141 1.177 1.00 0.00 C ATOM 280 O PRO A 22 -4.163 15.343 0.500 1.00 0.00 O ATOM 281 CB PRO A 22 -3.762 16.277 3.331 1.00 0.00 C ATOM 282 CG PRO A 22 -2.533 17.014 3.735 1.00 0.00 C ATOM 283 CD PRO A 22 -1.525 15.963 4.112 1.00 0.00 C ATOM 0 HA PRO A 22 -3.902 14.127 2.848 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.358 16.858 2.627 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.398 16.067 4.191 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.163 17.634 2.918 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.735 17.680 4.574 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.509 16.276 3.872 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.549 15.748 5.180 1.00 0.00 H new ATOM 291 N ARG A 23 -1.938 15.045 0.651 1.00 0.00 N ATOM 292 CA ARG A 23 -1.713 15.176 -0.784 1.00 0.00 C ATOM 293 C ARG A 23 -1.106 13.899 -1.358 1.00 0.00 C ATOM 294 O ARG A 23 -1.343 13.552 -2.516 1.00 0.00 O ATOM 295 CB ARG A 23 -0.793 16.364 -1.070 1.00 0.00 C ATOM 296 CG ARG A 23 -1.019 17.547 -0.143 1.00 0.00 C ATOM 297 CD ARG A 23 0.006 18.646 -0.381 1.00 0.00 C ATOM 298 NE ARG A 23 1.192 18.478 0.454 1.00 0.00 N ATOM 299 CZ ARG A 23 1.195 18.656 1.770 1.00 0.00 C ATOM 300 NH1 ARG A 23 0.081 19.004 2.398 1.00 0.00 N ATOM 301 NH2 ARG A 23 2.315 18.484 2.462 1.00 0.00 N ATOM 0 H ARG A 23 -1.093 14.877 1.197 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.677 15.347 -1.264 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.244 16.039 -0.984 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.941 16.687 -2.100 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.022 17.944 -0.297 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.963 17.214 0.893 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.299 18.647 -1.431 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.448 19.616 -0.176 1.00 0.00 H new ATOM 0 HE ARG A 23 2.066 18.209 0.002 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.782 19.136 1.870 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.087 19.140 3.409 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.174 18.215 1.983 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.316 18.621 3.473 1.00 0.00 H new ATOM 315 N THR A 24 -0.322 13.203 -0.541 1.00 0.00 N ATOM 316 CA THR A 24 0.320 11.966 -0.967 1.00 0.00 C ATOM 317 C THR A 24 0.396 10.963 0.178 1.00 0.00 C ATOM 318 O THR A 24 0.503 11.343 1.344 1.00 0.00 O ATOM 319 CB THR A 24 1.741 12.226 -1.502 1.00 0.00 C ATOM 320 OG1 THR A 24 2.632 12.498 -0.414 1.00 0.00 O ATOM 321 CG2 THR A 24 1.748 13.397 -2.473 1.00 0.00 C ATOM 0 H THR A 24 -0.116 13.475 0.420 1.00 0.00 H new ATOM 0 HA THR A 24 -0.292 11.552 -1.768 1.00 0.00 H new ATOM 0 HB THR A 24 2.075 11.333 -2.031 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.534 12.660 -0.762 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.762 13.561 -2.837 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.091 13.176 -3.315 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.395 14.294 -1.964 1.00 0.00 H new ATOM 329 N VAL A 25 0.339 9.679 -0.162 1.00 0.00 N ATOM 330 CA VAL A 25 0.403 8.620 0.838 1.00 0.00 C ATOM 331 C VAL A 25 1.639 7.749 0.638 1.00 0.00 C ATOM 332 O VAL A 25 1.833 7.164 -0.427 1.00 0.00 O ATOM 333 CB VAL A 25 -0.852 7.729 0.793 1.00 0.00 C ATOM 334 CG1 VAL A 25 -0.595 6.407 1.501 1.00 0.00 C ATOM 335 CG2 VAL A 25 -2.040 8.451 1.410 1.00 0.00 C ATOM 0 H VAL A 25 0.249 9.347 -1.122 1.00 0.00 H new ATOM 0 HA VAL A 25 0.459 9.107 1.812 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.087 7.515 -0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.493 5.791 1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.226 5.885 1.010 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.334 6.597 2.542 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.918 7.807 1.370 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.817 8.696 2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.237 9.368 0.855 1.00 0.00 H new ATOM 345 N HIS A 26 2.472 7.668 1.671 1.00 0.00 N ATOM 346 CA HIS A 26 3.689 6.867 1.610 1.00 0.00 C ATOM 347 C HIS A 26 3.608 5.680 2.565 1.00 0.00 C ATOM 348 O HIS A 26 3.360 5.848 3.760 1.00 0.00 O ATOM 349 CB HIS A 26 4.908 7.726 1.948 1.00 0.00 C ATOM 350 CG HIS A 26 6.205 7.134 1.490 1.00 0.00 C ATOM 351 ND1 HIS A 26 7.407 7.804 1.566 1.00 0.00 N ATOM 352 CD2 HIS A 26 6.483 5.925 0.949 1.00 0.00 C ATOM 353 CE1 HIS A 26 8.369 7.034 1.090 1.00 0.00 C ATOM 354 NE2 HIS A 26 7.835 5.888 0.710 1.00 0.00 N ATOM 0 H HIS A 26 2.326 8.147 2.560 1.00 0.00 H new ATOM 0 HA HIS A 26 3.792 6.486 0.594 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.786 8.709 1.493 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.948 7.877 3.027 1.00 0.00 H new ATOM 0 HD2 HIS A 26 5.774 5.137 0.744 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.414 7.297 1.023 1.00 0.00 H new ATOM 0 HE2 HIS A 26 8.344 5.102 0.305 1.00 0.00 H new ATOM 363 N LEU A 27 3.817 4.482 2.031 1.00 0.00 N ATOM 364 CA LEU A 27 3.766 3.266 2.836 1.00 0.00 C ATOM 365 C LEU A 27 5.028 2.432 2.643 1.00 0.00 C ATOM 366 O LEU A 27 5.678 2.501 1.599 1.00 0.00 O ATOM 367 CB LEU A 27 2.533 2.439 2.469 1.00 0.00 C ATOM 368 CG LEU A 27 2.004 1.503 3.557 1.00 0.00 C ATOM 369 CD1 LEU A 27 1.547 2.298 4.770 1.00 0.00 C ATOM 370 CD2 LEU A 27 0.867 0.647 3.018 1.00 0.00 C ATOM 0 H LEU A 27 4.023 4.326 1.044 1.00 0.00 H new ATOM 0 HA LEU A 27 3.702 3.556 3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.733 3.123 2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.770 1.842 1.588 1.00 0.00 H new ATOM 0 HG LEU A 27 2.814 0.842 3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.174 1.615 5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.387 2.866 5.170 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.752 2.984 4.477 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.503 -0.013 3.806 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.055 1.291 2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.227 0.049 2.181 1.00 0.00 H new ATOM 382 N THR A 28 5.370 1.641 3.655 1.00 0.00 N ATOM 383 CA THR A 28 6.553 0.792 3.596 1.00 0.00 C ATOM 384 C THR A 28 6.340 -0.502 4.373 1.00 0.00 C ATOM 385 O THR A 28 5.786 -0.493 5.472 1.00 0.00 O ATOM 386 CB THR A 28 7.792 1.516 4.157 1.00 0.00 C ATOM 387 OG1 THR A 28 7.670 1.669 5.575 1.00 0.00 O ATOM 388 CG2 THR A 28 7.961 2.881 3.506 1.00 0.00 C ATOM 0 H THR A 28 4.844 1.571 4.526 1.00 0.00 H new ATOM 0 HA THR A 28 6.722 0.558 2.545 1.00 0.00 H new ATOM 0 HB THR A 28 8.672 0.913 3.932 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.462 2.128 5.924 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.842 3.374 3.917 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.083 2.758 2.430 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.079 3.490 3.704 1.00 0.00 H new ATOM 396 N TRP A 29 6.784 -1.612 3.796 1.00 0.00 N ATOM 397 CA TRP A 29 6.643 -2.916 4.436 1.00 0.00 C ATOM 398 C TRP A 29 7.928 -3.726 4.311 1.00 0.00 C ATOM 399 O TRP A 29 8.881 -3.297 3.661 1.00 0.00 O ATOM 400 CB TRP A 29 5.476 -3.687 3.816 1.00 0.00 C ATOM 401 CG TRP A 29 5.542 -3.762 2.320 1.00 0.00 C ATOM 402 CD1 TRP A 29 6.240 -4.668 1.575 1.00 0.00 C ATOM 403 CD2 TRP A 29 4.884 -2.894 1.390 1.00 0.00 C ATOM 404 NE1 TRP A 29 6.057 -4.416 0.236 1.00 0.00 N ATOM 405 CE2 TRP A 29 5.229 -3.334 0.096 1.00 0.00 C ATOM 406 CE3 TRP A 29 4.037 -1.791 1.522 1.00 0.00 C ATOM 407 CZ2 TRP A 29 4.756 -2.707 -1.053 1.00 0.00 C ATOM 408 CZ3 TRP A 29 3.569 -1.170 0.381 1.00 0.00 C ATOM 409 CH2 TRP A 29 3.928 -1.629 -0.893 1.00 0.00 C ATOM 0 H TRP A 29 7.245 -1.636 2.886 1.00 0.00 H new ATOM 0 HA TRP A 29 6.441 -2.754 5.495 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.461 -4.698 4.223 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.540 -3.212 4.108 1.00 0.00 H new ATOM 0 HD1 TRP A 29 6.847 -5.465 1.978 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.471 -4.949 -0.529 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.753 -1.430 2.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.033 -3.059 -2.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.915 -0.316 0.472 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.544 -1.122 -1.766 1.00 0.00 H new ATOM 420 N GLN A 30 7.946 -4.899 4.936 1.00 0.00 N ATOM 421 CA GLN A 30 9.116 -5.768 4.894 1.00 0.00 C ATOM 422 C GLN A 30 9.211 -6.489 3.553 1.00 0.00 C ATOM 423 O GLN A 30 8.206 -6.885 2.961 1.00 0.00 O ATOM 424 CB GLN A 30 9.061 -6.788 6.032 1.00 0.00 C ATOM 425 CG GLN A 30 9.665 -6.283 7.332 1.00 0.00 C ATOM 426 CD GLN A 30 11.161 -6.518 7.411 1.00 0.00 C ATOM 427 OE1 GLN A 30 11.612 -7.613 7.748 1.00 0.00 O ATOM 428 NE2 GLN A 30 11.939 -5.489 7.098 1.00 0.00 N ATOM 0 H GLN A 30 7.164 -5.269 5.477 1.00 0.00 H new ATOM 0 HA GLN A 30 10.003 -5.147 5.015 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.022 -7.067 6.208 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.586 -7.692 5.724 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.463 -5.217 7.432 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.178 -6.780 8.171 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.522 -4.599 6.824 1.00 0.00 H new ATOM 0 HE22 GLN A 30 12.954 -5.588 7.131 1.00 0.00 H new ATOM 437 N PRO A 31 10.446 -6.663 3.060 1.00 0.00 N ATOM 438 CA PRO A 31 10.701 -7.337 1.784 1.00 0.00 C ATOM 439 C PRO A 31 10.411 -8.833 1.849 1.00 0.00 C ATOM 440 O PRO A 31 10.750 -9.498 2.827 1.00 0.00 O ATOM 441 CB PRO A 31 12.193 -7.092 1.545 1.00 0.00 C ATOM 442 CG PRO A 31 12.766 -6.888 2.905 1.00 0.00 C ATOM 443 CD PRO A 31 11.689 -6.216 3.711 1.00 0.00 C ATOM 0 HA PRO A 31 10.060 -6.958 0.988 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.658 -7.940 1.043 1.00 0.00 H new ATOM 0 HB3 PRO A 31 12.355 -6.219 0.912 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.054 -7.839 3.354 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.664 -6.271 2.862 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.724 -6.516 4.758 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.787 -5.131 3.687 1.00 0.00 H new ATOM 451 N SER A 32 9.780 -9.355 0.802 1.00 0.00 N ATOM 452 CA SER A 32 9.441 -10.772 0.743 1.00 0.00 C ATOM 453 C SER A 32 10.662 -11.608 0.371 1.00 0.00 C ATOM 454 O SER A 32 11.770 -11.086 0.244 1.00 0.00 O ATOM 455 CB SER A 32 8.320 -11.007 -0.271 1.00 0.00 C ATOM 456 OG SER A 32 7.750 -12.295 -0.111 1.00 0.00 O ATOM 0 H SER A 32 9.493 -8.818 -0.017 1.00 0.00 H new ATOM 0 HA SER A 32 9.099 -11.080 1.731 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.549 -10.247 -0.148 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.712 -10.902 -1.283 1.00 0.00 H new ATOM 0 HG SER A 32 7.313 -12.353 0.764 1.00 0.00 H new ATOM 462 N ALA A 33 10.450 -12.908 0.198 1.00 0.00 N ATOM 463 CA ALA A 33 11.532 -13.817 -0.161 1.00 0.00 C ATOM 464 C ALA A 33 11.374 -14.321 -1.592 1.00 0.00 C ATOM 465 O ALA A 33 10.565 -15.207 -1.862 1.00 0.00 O ATOM 466 CB ALA A 33 11.582 -14.987 0.810 1.00 0.00 C ATOM 0 H ALA A 33 9.539 -13.356 0.301 1.00 0.00 H new ATOM 0 HA ALA A 33 12.471 -13.267 -0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.394 -15.658 0.530 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.751 -14.614 1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.637 -15.528 0.776 1.00 0.00 H new ATOM 472 N GLY A 34 12.152 -13.748 -2.506 1.00 0.00 N ATOM 473 CA GLY A 34 12.081 -14.151 -3.898 1.00 0.00 C ATOM 474 C GLY A 34 10.926 -13.501 -4.632 1.00 0.00 C ATOM 475 O GLY A 34 10.200 -14.165 -5.372 1.00 0.00 O ATOM 0 H GLY A 34 12.830 -13.012 -2.307 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.015 -13.892 -4.396 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.979 -15.235 -3.954 1.00 0.00 H new ATOM 479 N ALA A 35 10.753 -12.200 -4.427 1.00 0.00 N ATOM 480 CA ALA A 35 9.677 -11.460 -5.075 1.00 0.00 C ATOM 481 C ALA A 35 10.221 -10.543 -6.165 1.00 0.00 C ATOM 482 O ALA A 35 10.861 -9.530 -5.878 1.00 0.00 O ATOM 483 CB ALA A 35 8.896 -10.655 -4.047 1.00 0.00 C ATOM 0 H ALA A 35 11.345 -11.636 -3.817 1.00 0.00 H new ATOM 0 HA ALA A 35 9.005 -12.180 -5.543 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.096 -10.108 -4.545 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.467 -11.330 -3.306 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.565 -9.950 -3.552 1.00 0.00 H new ATOM 489 N THR A 36 9.964 -10.904 -7.419 1.00 0.00 N ATOM 490 CA THR A 36 10.429 -10.114 -8.552 1.00 0.00 C ATOM 491 C THR A 36 9.759 -8.745 -8.581 1.00 0.00 C ATOM 492 O THR A 36 10.383 -7.745 -8.936 1.00 0.00 O ATOM 493 CB THR A 36 10.159 -10.834 -9.887 1.00 0.00 C ATOM 494 OG1 THR A 36 10.042 -9.876 -10.945 1.00 0.00 O ATOM 495 CG2 THR A 36 8.887 -11.665 -9.805 1.00 0.00 C ATOM 0 H THR A 36 9.436 -11.739 -7.675 1.00 0.00 H new ATOM 0 HA THR A 36 11.504 -9.986 -8.427 1.00 0.00 H new ATOM 0 HB THR A 36 10.997 -11.500 -10.092 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.872 -10.341 -11.790 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.716 -12.164 -10.759 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.990 -12.412 -9.018 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.042 -11.015 -9.579 1.00 0.00 H new ATOM 503 N HIS A 37 8.485 -8.707 -8.205 1.00 0.00 N ATOM 504 CA HIS A 37 7.730 -7.459 -8.186 1.00 0.00 C ATOM 505 C HIS A 37 6.596 -7.525 -7.168 1.00 0.00 C ATOM 506 O HIS A 37 6.362 -8.565 -6.551 1.00 0.00 O ATOM 507 CB HIS A 37 7.168 -7.159 -9.576 1.00 0.00 C ATOM 508 CG HIS A 37 6.220 -8.205 -10.077 1.00 0.00 C ATOM 509 ND1 HIS A 37 6.627 -9.464 -10.466 1.00 0.00 N ATOM 510 CD2 HIS A 37 4.878 -8.174 -10.251 1.00 0.00 C ATOM 511 CE1 HIS A 37 5.576 -10.161 -10.859 1.00 0.00 C ATOM 512 NE2 HIS A 37 4.502 -9.401 -10.738 1.00 0.00 N ATOM 0 H HIS A 37 7.954 -9.526 -7.909 1.00 0.00 H new ATOM 0 HA HIS A 37 8.408 -6.656 -7.895 1.00 0.00 H new ATOM 0 HB2 HIS A 37 6.655 -6.197 -9.552 1.00 0.00 H new ATOM 0 HB3 HIS A 37 7.994 -7.062 -10.280 1.00 0.00 H new ATOM 0 HD2 HIS A 37 4.225 -7.339 -10.045 1.00 0.00 H new ATOM 0 HE1 HIS A 37 5.592 -11.179 -11.218 1.00 0.00 H new ATOM 0 HE2 HIS A 37 3.549 -9.681 -10.969 1.00 0.00 H new ATOM 521 N TYR A 38 5.895 -6.410 -6.997 1.00 0.00 N ATOM 522 CA TYR A 38 4.788 -6.340 -6.052 1.00 0.00 C ATOM 523 C TYR A 38 3.609 -5.577 -6.649 1.00 0.00 C ATOM 524 O TYR A 38 3.791 -4.624 -7.407 1.00 0.00 O ATOM 525 CB TYR A 38 5.239 -5.669 -4.754 1.00 0.00 C ATOM 526 CG TYR A 38 6.457 -6.313 -4.131 1.00 0.00 C ATOM 527 CD1 TYR A 38 7.727 -6.092 -4.651 1.00 0.00 C ATOM 528 CD2 TYR A 38 6.339 -7.141 -3.022 1.00 0.00 C ATOM 529 CE1 TYR A 38 8.842 -6.678 -4.086 1.00 0.00 C ATOM 530 CE2 TYR A 38 7.450 -7.731 -2.449 1.00 0.00 C ATOM 531 CZ TYR A 38 8.699 -7.497 -2.985 1.00 0.00 C ATOM 532 OH TYR A 38 9.808 -8.082 -2.419 1.00 0.00 O ATOM 0 H TYR A 38 6.074 -5.542 -7.501 1.00 0.00 H new ATOM 0 HA TYR A 38 4.466 -7.358 -5.834 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.455 -4.619 -4.954 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.418 -5.695 -4.037 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.844 -5.451 -5.512 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.362 -7.327 -2.600 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.821 -6.496 -4.504 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.341 -8.372 -1.586 1.00 0.00 H new ATOM 0 HH TYR A 38 10.079 -7.572 -1.627 1.00 0.00 H new ATOM 542 N LEU A 39 2.400 -6.003 -6.301 1.00 0.00 N ATOM 543 CA LEU A 39 1.189 -5.361 -6.800 1.00 0.00 C ATOM 544 C LEU A 39 0.500 -4.565 -5.697 1.00 0.00 C ATOM 545 O LEU A 39 0.077 -5.124 -4.685 1.00 0.00 O ATOM 546 CB LEU A 39 0.228 -6.409 -7.365 1.00 0.00 C ATOM 547 CG LEU A 39 -0.877 -5.882 -8.280 1.00 0.00 C ATOM 548 CD1 LEU A 39 -1.696 -4.816 -7.569 1.00 0.00 C ATOM 549 CD2 LEU A 39 -0.285 -5.330 -9.569 1.00 0.00 C ATOM 0 H LEU A 39 2.232 -6.791 -5.675 1.00 0.00 H new ATOM 0 HA LEU A 39 1.474 -4.672 -7.595 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.810 -7.146 -7.919 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.238 -6.933 -6.530 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.538 -6.711 -8.533 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.478 -4.453 -8.236 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.151 -5.243 -6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.047 -3.987 -7.285 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.086 -4.959 -10.208 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.399 -4.514 -9.335 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.257 -6.120 -10.088 1.00 0.00 H new ATOM 561 N VAL A 40 0.388 -3.256 -5.900 1.00 0.00 N ATOM 562 CA VAL A 40 -0.254 -2.383 -4.924 1.00 0.00 C ATOM 563 C VAL A 40 -1.618 -1.915 -5.418 1.00 0.00 C ATOM 564 O VAL A 40 -1.711 -1.103 -6.339 1.00 0.00 O ATOM 565 CB VAL A 40 0.618 -1.151 -4.615 1.00 0.00 C ATOM 566 CG1 VAL A 40 -0.212 -0.063 -3.952 1.00 0.00 C ATOM 567 CG2 VAL A 40 1.799 -1.541 -3.739 1.00 0.00 C ATOM 0 H VAL A 40 0.733 -2.777 -6.731 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.382 -2.967 -4.013 1.00 0.00 H new ATOM 0 HB VAL A 40 1.006 -0.757 -5.554 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.420 0.799 -3.741 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.021 0.235 -4.619 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.631 -0.442 -3.020 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.404 -0.659 -3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.434 -1.960 -2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.406 -2.284 -4.256 1.00 0.00 H new ATOM 577 N ARG A 41 -2.674 -2.433 -4.800 1.00 0.00 N ATOM 578 CA ARG A 41 -4.035 -2.069 -5.177 1.00 0.00 C ATOM 579 C ARG A 41 -4.548 -0.919 -4.316 1.00 0.00 C ATOM 580 O ARG A 41 -4.519 -0.989 -3.087 1.00 0.00 O ATOM 581 CB ARG A 41 -4.965 -3.276 -5.041 1.00 0.00 C ATOM 582 CG ARG A 41 -4.834 -4.276 -6.178 1.00 0.00 C ATOM 583 CD ARG A 41 -5.160 -5.689 -5.719 1.00 0.00 C ATOM 584 NE ARG A 41 -6.585 -5.860 -5.444 1.00 0.00 N ATOM 585 CZ ARG A 41 -7.485 -6.137 -6.380 1.00 0.00 C ATOM 586 NH1 ARG A 41 -7.112 -6.274 -7.644 1.00 0.00 N ATOM 587 NH2 ARG A 41 -8.763 -6.278 -6.051 1.00 0.00 N ATOM 0 H ARG A 41 -2.614 -3.106 -4.036 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.022 -1.744 -6.217 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.756 -3.781 -4.098 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.996 -2.926 -4.993 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.503 -3.993 -6.991 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.819 -4.246 -6.575 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.851 -6.400 -6.486 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.587 -5.920 -4.821 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.906 -5.761 -4.481 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.131 -6.167 -7.901 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.806 -6.487 -8.360 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.054 -6.174 -5.079 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.454 -6.491 -6.770 1.00 0.00 H new ATOM 601 N CYS A 42 -5.017 0.138 -4.969 1.00 0.00 N ATOM 602 CA CYS A 42 -5.536 1.305 -4.264 1.00 0.00 C ATOM 603 C CYS A 42 -7.034 1.464 -4.504 1.00 0.00 C ATOM 604 O CYS A 42 -7.464 1.784 -5.612 1.00 0.00 O ATOM 605 CB CYS A 42 -4.798 2.568 -4.711 1.00 0.00 C ATOM 606 SG CYS A 42 -5.524 4.104 -4.094 1.00 0.00 S ATOM 0 H CYS A 42 -5.049 0.211 -5.986 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.371 1.156 -3.197 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.762 2.508 -4.377 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.780 2.599 -5.800 1.00 0.00 H new ATOM 0 HG CYS A 42 -4.829 5.115 -4.523 1.00 0.00 H new ATOM 612 N SER A 43 -7.823 1.237 -3.459 1.00 0.00 N ATOM 613 CA SER A 43 -9.273 1.349 -3.558 1.00 0.00 C ATOM 614 C SER A 43 -9.835 2.163 -2.395 1.00 0.00 C ATOM 615 O SER A 43 -9.352 2.094 -1.265 1.00 0.00 O ATOM 616 CB SER A 43 -9.914 -0.040 -3.580 1.00 0.00 C ATOM 617 OG SER A 43 -11.327 0.049 -3.537 1.00 0.00 O ATOM 0 H SER A 43 -7.482 0.974 -2.534 1.00 0.00 H new ATOM 0 HA SER A 43 -9.510 1.864 -4.489 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.607 -0.571 -4.481 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.557 -0.622 -2.730 1.00 0.00 H new ATOM 0 HG SER A 43 -11.712 -0.852 -3.554 1.00 0.00 H new ATOM 623 N PRO A 44 -10.882 2.952 -2.678 1.00 0.00 N ATOM 624 CA PRO A 44 -11.534 3.794 -1.671 1.00 0.00 C ATOM 625 C PRO A 44 -12.305 2.974 -0.642 1.00 0.00 C ATOM 626 O PRO A 44 -12.991 2.012 -0.987 1.00 0.00 O ATOM 627 CB PRO A 44 -12.494 4.655 -2.495 1.00 0.00 C ATOM 628 CG PRO A 44 -12.772 3.849 -3.717 1.00 0.00 C ATOM 629 CD PRO A 44 -11.511 3.083 -4.004 1.00 0.00 C ATOM 0 HA PRO A 44 -10.812 4.371 -1.093 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.410 4.866 -1.943 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.046 5.616 -2.748 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.611 3.172 -3.556 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.038 4.492 -4.556 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.724 2.110 -4.446 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.867 3.616 -4.703 1.00 0.00 H new ATOM 637 N ALA A 45 -12.188 3.361 0.624 1.00 0.00 N ATOM 638 CA ALA A 45 -12.877 2.664 1.703 1.00 0.00 C ATOM 639 C ALA A 45 -14.353 3.042 1.748 1.00 0.00 C ATOM 640 O ALA A 45 -15.144 2.412 2.449 1.00 0.00 O ATOM 641 CB ALA A 45 -12.211 2.968 3.037 1.00 0.00 C ATOM 0 H ALA A 45 -11.622 4.154 0.928 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.810 1.593 1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.736 2.441 3.834 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.172 2.640 3.008 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.248 4.041 3.226 1.00 0.00 H new ATOM 647 N SER A 46 -14.717 4.076 0.996 1.00 0.00 N ATOM 648 CA SER A 46 -16.099 4.541 0.953 1.00 0.00 C ATOM 649 C SER A 46 -16.726 4.255 -0.407 1.00 0.00 C ATOM 650 O SER A 46 -16.236 4.689 -1.450 1.00 0.00 O ATOM 651 CB SER A 46 -16.163 6.040 1.253 1.00 0.00 C ATOM 652 OG SER A 46 -17.469 6.425 1.647 1.00 0.00 O ATOM 0 H SER A 46 -14.075 4.608 0.408 1.00 0.00 H new ATOM 0 HA SER A 46 -16.663 4.001 1.713 1.00 0.00 H new ATOM 0 HB2 SER A 46 -15.454 6.287 2.043 1.00 0.00 H new ATOM 0 HB3 SER A 46 -15.865 6.604 0.369 1.00 0.00 H new ATOM 0 HG SER A 46 -17.484 7.387 1.835 1.00 0.00 H new ATOM 658 N PRO A 47 -17.839 3.507 -0.399 1.00 0.00 N ATOM 659 CA PRO A 47 -18.560 3.146 -1.624 1.00 0.00 C ATOM 660 C PRO A 47 -19.253 4.344 -2.263 1.00 0.00 C ATOM 661 O PRO A 47 -19.894 4.220 -3.307 1.00 0.00 O ATOM 662 CB PRO A 47 -19.593 2.126 -1.140 1.00 0.00 C ATOM 663 CG PRO A 47 -19.804 2.453 0.299 1.00 0.00 C ATOM 664 CD PRO A 47 -18.481 2.956 0.806 1.00 0.00 C ATOM 0 HA PRO A 47 -17.890 2.762 -2.393 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -20.522 2.205 -1.704 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -19.230 1.106 -1.265 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -20.581 3.209 0.418 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -20.127 1.574 0.856 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -18.609 3.717 1.576 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -17.888 2.154 1.246 1.00 0.00 H new ATOM 672 N LYS A 48 -19.120 5.505 -1.631 1.00 0.00 N ATOM 673 CA LYS A 48 -19.732 6.728 -2.138 1.00 0.00 C ATOM 674 C LYS A 48 -19.430 6.912 -3.622 1.00 0.00 C ATOM 675 O LYS A 48 -20.204 7.532 -4.350 1.00 0.00 O ATOM 676 CB LYS A 48 -19.229 7.939 -1.350 1.00 0.00 C ATOM 677 CG LYS A 48 -19.803 8.034 0.052 1.00 0.00 C ATOM 678 CD LYS A 48 -19.585 9.413 0.652 1.00 0.00 C ATOM 679 CE LYS A 48 -20.691 10.377 0.250 1.00 0.00 C ATOM 680 NZ LYS A 48 -20.423 11.760 0.733 1.00 0.00 N ATOM 0 H LYS A 48 -18.593 5.625 -0.766 1.00 0.00 H new ATOM 0 HA LYS A 48 -20.811 6.644 -2.012 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -18.142 7.894 -1.286 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -19.479 8.848 -1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -20.870 7.813 0.025 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -19.337 7.282 0.688 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -19.545 9.336 1.739 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -18.622 9.805 0.325 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -20.790 10.384 -0.835 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -21.641 10.029 0.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -21.199 12.387 0.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -20.354 11.758 1.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -19.529 12.102 0.327 1.00 0.00 H new ATOM 694 N GLY A 49 -18.301 6.367 -4.064 1.00 0.00 N ATOM 695 CA GLY A 49 -17.918 6.482 -5.459 1.00 0.00 C ATOM 696 C GLY A 49 -17.874 5.139 -6.160 1.00 0.00 C ATOM 697 O GLY A 49 -18.517 4.949 -7.192 1.00 0.00 O ATOM 0 H GLY A 49 -17.645 5.848 -3.481 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -18.623 7.134 -5.974 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -16.939 6.956 -5.526 1.00 0.00 H new ATOM 701 N GLU A 50 -17.111 4.205 -5.600 1.00 0.00 N ATOM 702 CA GLU A 50 -16.985 2.873 -6.181 1.00 0.00 C ATOM 703 C GLU A 50 -16.227 2.927 -7.504 1.00 0.00 C ATOM 704 O GLU A 50 -16.398 2.063 -8.364 1.00 0.00 O ATOM 705 CB GLU A 50 -18.367 2.253 -6.396 1.00 0.00 C ATOM 706 CG GLU A 50 -18.330 0.754 -6.639 1.00 0.00 C ATOM 707 CD GLU A 50 -19.694 0.106 -6.501 1.00 0.00 C ATOM 708 OE1 GLU A 50 -20.158 -0.058 -5.353 1.00 0.00 O ATOM 709 OE2 GLU A 50 -20.297 -0.236 -7.540 1.00 0.00 O ATOM 0 H GLU A 50 -16.572 4.346 -4.746 1.00 0.00 H new ATOM 0 HA GLU A 50 -16.422 2.252 -5.485 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -18.987 2.456 -5.523 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -18.846 2.739 -7.246 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -17.940 0.561 -7.638 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -17.640 0.292 -5.933 1.00 0.00 H new ATOM 716 N GLU A 51 -15.390 3.948 -7.659 1.00 0.00 N ATOM 717 CA GLU A 51 -14.607 4.115 -8.878 1.00 0.00 C ATOM 718 C GLU A 51 -13.610 2.972 -9.045 1.00 0.00 C ATOM 719 O GLU A 51 -13.177 2.365 -8.066 1.00 0.00 O ATOM 720 CB GLU A 51 -13.866 5.453 -8.855 1.00 0.00 C ATOM 721 CG GLU A 51 -14.783 6.659 -8.975 1.00 0.00 C ATOM 722 CD GLU A 51 -15.512 6.707 -10.304 1.00 0.00 C ATOM 723 OE1 GLU A 51 -14.864 6.477 -11.346 1.00 0.00 O ATOM 724 OE2 GLU A 51 -16.732 6.976 -10.300 1.00 0.00 O ATOM 0 H GLU A 51 -15.237 4.671 -6.956 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.293 4.102 -9.725 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -13.299 5.529 -7.927 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.144 5.473 -9.672 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.512 6.638 -8.165 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.197 7.570 -8.853 1.00 0.00 H new ATOM 731 N GLU A 52 -13.252 2.684 -10.293 1.00 0.00 N ATOM 732 CA GLU A 52 -12.308 1.613 -10.589 1.00 0.00 C ATOM 733 C GLU A 52 -11.113 1.665 -9.642 1.00 0.00 C ATOM 734 O GLU A 52 -10.671 2.742 -9.242 1.00 0.00 O ATOM 735 CB GLU A 52 -11.829 1.711 -12.038 1.00 0.00 C ATOM 736 CG GLU A 52 -12.955 1.656 -13.057 1.00 0.00 C ATOM 737 CD GLU A 52 -13.587 0.281 -13.153 1.00 0.00 C ATOM 738 OE1 GLU A 52 -12.856 -0.690 -13.441 1.00 0.00 O ATOM 739 OE2 GLU A 52 -14.814 0.176 -12.941 1.00 0.00 O ATOM 0 H GLU A 52 -13.601 3.177 -11.114 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.821 0.662 -10.448 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.279 2.643 -12.167 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.131 0.898 -12.237 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.719 2.385 -12.788 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.569 1.944 -14.035 1.00 0.00 H new ATOM 746 N GLU A 53 -10.594 0.493 -9.287 1.00 0.00 N ATOM 747 CA GLU A 53 -9.451 0.406 -8.386 1.00 0.00 C ATOM 748 C GLU A 53 -8.142 0.588 -9.149 1.00 0.00 C ATOM 749 O GLU A 53 -7.988 0.093 -10.266 1.00 0.00 O ATOM 750 CB GLU A 53 -9.448 -0.941 -7.660 1.00 0.00 C ATOM 751 CG GLU A 53 -8.075 -1.361 -7.162 1.00 0.00 C ATOM 752 CD GLU A 53 -8.077 -2.745 -6.542 1.00 0.00 C ATOM 753 OE1 GLU A 53 -7.953 -3.733 -7.295 1.00 0.00 O ATOM 754 OE2 GLU A 53 -8.203 -2.839 -5.303 1.00 0.00 O ATOM 0 H GLU A 53 -10.947 -0.408 -9.609 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.538 1.207 -7.651 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -10.132 -0.889 -6.813 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.831 -1.708 -8.333 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.369 -1.340 -7.993 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.723 -0.638 -6.426 1.00 0.00 H new ATOM 761 N ARG A 54 -7.202 1.302 -8.538 1.00 0.00 N ATOM 762 CA ARG A 54 -5.907 1.551 -9.159 1.00 0.00 C ATOM 763 C ARG A 54 -4.939 0.406 -8.877 1.00 0.00 C ATOM 764 O ARG A 54 -4.735 0.023 -7.726 1.00 0.00 O ATOM 765 CB ARG A 54 -5.318 2.868 -8.650 1.00 0.00 C ATOM 766 CG ARG A 54 -3.806 2.947 -8.773 1.00 0.00 C ATOM 767 CD ARG A 54 -3.261 4.220 -8.145 1.00 0.00 C ATOM 768 NE ARG A 54 -2.018 4.654 -8.777 1.00 0.00 N ATOM 769 CZ ARG A 54 -1.961 5.193 -9.990 1.00 0.00 C ATOM 770 NH1 ARG A 54 -3.069 5.362 -10.698 1.00 0.00 N ATOM 771 NH2 ARG A 54 -0.792 5.564 -10.498 1.00 0.00 N ATOM 0 H ARG A 54 -7.313 1.718 -7.613 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.057 1.620 -10.236 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.763 3.694 -9.205 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.596 3.001 -7.605 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.355 2.080 -8.290 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.523 2.909 -9.825 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.005 5.012 -8.227 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.088 4.054 -7.082 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.147 4.537 -8.259 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.969 5.078 -10.312 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.021 5.776 -11.629 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.063 5.435 -9.957 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.749 5.978 -11.429 1.00 0.00 H new ATOM 785 N GLU A 55 -4.347 -0.136 -9.937 1.00 0.00 N ATOM 786 CA GLU A 55 -3.402 -1.238 -9.802 1.00 0.00 C ATOM 787 C GLU A 55 -2.024 -0.840 -10.323 1.00 0.00 C ATOM 788 O GLU A 55 -1.830 -0.661 -11.526 1.00 0.00 O ATOM 789 CB GLU A 55 -3.908 -2.469 -10.557 1.00 0.00 C ATOM 790 CG GLU A 55 -2.800 -3.407 -11.005 1.00 0.00 C ATOM 791 CD GLU A 55 -3.323 -4.594 -11.792 1.00 0.00 C ATOM 792 OE1 GLU A 55 -4.534 -4.883 -11.693 1.00 0.00 O ATOM 793 OE2 GLU A 55 -2.522 -5.232 -12.506 1.00 0.00 O ATOM 0 H GLU A 55 -4.505 0.170 -10.897 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.315 -1.480 -8.743 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.600 -3.017 -9.918 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.471 -2.142 -11.431 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.087 -2.855 -11.618 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.257 -3.766 -10.131 1.00 0.00 H new ATOM 800 N VAL A 56 -1.069 -0.703 -9.409 1.00 0.00 N ATOM 801 CA VAL A 56 0.292 -0.327 -9.775 1.00 0.00 C ATOM 802 C VAL A 56 1.300 -1.352 -9.270 1.00 0.00 C ATOM 803 O VAL A 56 1.026 -2.094 -8.326 1.00 0.00 O ATOM 804 CB VAL A 56 0.661 1.059 -9.214 1.00 0.00 C ATOM 805 CG1 VAL A 56 -0.140 2.148 -9.912 1.00 0.00 C ATOM 806 CG2 VAL A 56 0.437 1.102 -7.710 1.00 0.00 C ATOM 0 H VAL A 56 -1.212 -0.847 -8.409 1.00 0.00 H new ATOM 0 HA VAL A 56 0.329 -0.292 -10.864 1.00 0.00 H new ATOM 0 HB VAL A 56 1.719 1.240 -9.406 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.134 3.120 -9.503 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.076 2.130 -10.980 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.204 1.975 -9.754 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.703 2.089 -7.331 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.612 0.900 -7.492 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.059 0.348 -7.228 1.00 0.00 H new ATOM 816 N GLN A 57 2.468 -1.388 -9.904 1.00 0.00 N ATOM 817 CA GLN A 57 3.518 -2.323 -9.518 1.00 0.00 C ATOM 818 C GLN A 57 4.780 -1.580 -9.093 1.00 0.00 C ATOM 819 O GLN A 57 5.320 -0.771 -9.847 1.00 0.00 O ATOM 820 CB GLN A 57 3.835 -3.272 -10.675 1.00 0.00 C ATOM 821 CG GLN A 57 2.940 -4.499 -10.719 1.00 0.00 C ATOM 822 CD GLN A 57 2.784 -5.058 -12.119 1.00 0.00 C ATOM 823 OE1 GLN A 57 3.306 -6.128 -12.435 1.00 0.00 O ATOM 824 NE2 GLN A 57 2.062 -4.336 -12.968 1.00 0.00 N ATOM 0 H GLN A 57 2.711 -0.781 -10.687 1.00 0.00 H new ATOM 0 HA GLN A 57 3.158 -2.904 -8.669 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.740 -2.729 -11.615 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.874 -3.593 -10.596 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.354 -5.269 -10.068 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.958 -4.242 -10.323 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.647 -3.455 -12.664 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.922 -4.662 -13.924 1.00 0.00 H new ATOM 833 N VAL A 58 5.245 -1.860 -7.880 1.00 0.00 N ATOM 834 CA VAL A 58 6.445 -1.218 -7.354 1.00 0.00 C ATOM 835 C VAL A 58 7.542 -2.241 -7.083 1.00 0.00 C ATOM 836 O VAL A 58 7.351 -3.181 -6.313 1.00 0.00 O ATOM 837 CB VAL A 58 6.145 -0.446 -6.055 1.00 0.00 C ATOM 838 CG1 VAL A 58 5.461 0.876 -6.365 1.00 0.00 C ATOM 839 CG2 VAL A 58 5.293 -1.290 -5.119 1.00 0.00 C ATOM 0 H VAL A 58 4.810 -2.527 -7.243 1.00 0.00 H new ATOM 0 HA VAL A 58 6.787 -0.516 -8.114 1.00 0.00 H new ATOM 0 HB VAL A 58 7.089 -0.230 -5.555 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.257 1.407 -5.435 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.111 1.483 -6.995 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.523 0.687 -6.888 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.091 -0.729 -4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.351 -1.538 -5.609 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.826 -2.208 -4.870 1.00 0.00 H new ATOM 849 N GLY A 59 8.692 -2.051 -7.722 1.00 0.00 N ATOM 850 CA GLY A 59 9.803 -2.966 -7.537 1.00 0.00 C ATOM 851 C GLY A 59 10.302 -2.989 -6.106 1.00 0.00 C ATOM 852 O GLY A 59 11.062 -3.878 -5.720 1.00 0.00 O ATOM 0 H GLY A 59 8.874 -1.280 -8.364 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.495 -3.970 -7.827 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.620 -2.679 -8.199 1.00 0.00 H new ATOM 856 N ARG A 60 9.875 -2.009 -5.316 1.00 0.00 N ATOM 857 CA ARG A 60 10.286 -1.919 -3.920 1.00 0.00 C ATOM 858 C ARG A 60 9.087 -2.075 -2.989 1.00 0.00 C ATOM 859 O ARG A 60 7.943 -1.808 -3.360 1.00 0.00 O ATOM 860 CB ARG A 60 10.980 -0.582 -3.655 1.00 0.00 C ATOM 861 CG ARG A 60 11.682 -0.009 -4.875 1.00 0.00 C ATOM 862 CD ARG A 60 12.891 0.826 -4.482 1.00 0.00 C ATOM 863 NE ARG A 60 13.849 0.953 -5.576 1.00 0.00 N ATOM 864 CZ ARG A 60 14.550 -0.067 -6.060 1.00 0.00 C ATOM 865 NH1 ARG A 60 14.401 -1.281 -5.549 1.00 0.00 N ATOM 866 NH2 ARG A 60 15.403 0.128 -7.058 1.00 0.00 N ATOM 0 H ARG A 60 9.245 -1.266 -5.619 1.00 0.00 H new ATOM 0 HA ARG A 60 10.987 -2.730 -3.721 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.242 0.137 -3.300 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.709 -0.713 -2.855 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.997 -0.822 -5.530 1.00 0.00 H new ATOM 0 HG3 ARG A 60 10.983 0.605 -5.443 1.00 0.00 H new ATOM 0 HD2 ARG A 60 12.561 1.818 -4.173 1.00 0.00 H new ATOM 0 HD3 ARG A 60 13.382 0.370 -3.622 1.00 0.00 H new ATOM 0 HE ARG A 60 13.988 1.874 -5.991 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.747 -1.435 -4.782 1.00 0.00 H new ATOM 0 HH12 ARG A 60 14.941 -2.062 -5.923 1.00 0.00 H new ATOM 0 HH21 ARG A 60 15.521 1.061 -7.454 1.00 0.00 H new ATOM 0 HH22 ARG A 60 15.941 -0.655 -7.429 1.00 0.00 H new ATOM 880 N PRO A 61 9.351 -2.518 -1.751 1.00 0.00 N ATOM 881 CA PRO A 61 8.307 -2.719 -0.742 1.00 0.00 C ATOM 882 C PRO A 61 7.715 -1.402 -0.250 1.00 0.00 C ATOM 883 O PRO A 61 6.880 -1.387 0.653 1.00 0.00 O ATOM 884 CB PRO A 61 9.045 -3.431 0.394 1.00 0.00 C ATOM 885 CG PRO A 61 10.469 -3.022 0.237 1.00 0.00 C ATOM 886 CD PRO A 61 10.691 -2.856 -1.241 1.00 0.00 C ATOM 0 HA PRO A 61 7.461 -3.281 -1.137 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.653 -3.135 1.367 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.934 -4.513 0.321 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.669 -2.092 0.769 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.139 -3.776 0.650 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.413 -2.067 -1.453 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.075 -3.770 -1.695 1.00 0.00 H new ATOM 894 N GLU A 62 8.153 -0.300 -0.851 1.00 0.00 N ATOM 895 CA GLU A 62 7.666 1.021 -0.473 1.00 0.00 C ATOM 896 C GLU A 62 6.917 1.676 -1.629 1.00 0.00 C ATOM 897 O GLU A 62 7.469 1.866 -2.713 1.00 0.00 O ATOM 898 CB GLU A 62 8.830 1.912 -0.034 1.00 0.00 C ATOM 899 CG GLU A 62 9.966 1.968 -1.041 1.00 0.00 C ATOM 900 CD GLU A 62 10.993 0.873 -0.824 1.00 0.00 C ATOM 901 OE1 GLU A 62 10.593 -0.250 -0.454 1.00 0.00 O ATOM 902 OE2 GLU A 62 12.196 1.141 -1.024 1.00 0.00 O ATOM 0 H GLU A 62 8.844 -0.296 -1.601 1.00 0.00 H new ATOM 0 HA GLU A 62 6.976 0.900 0.362 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.458 2.922 0.139 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.217 1.548 0.918 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.558 1.884 -2.048 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.457 2.939 -0.976 1.00 0.00 H new ATOM 909 N VAL A 63 5.655 2.020 -1.391 1.00 0.00 N ATOM 910 CA VAL A 63 4.830 2.655 -2.411 1.00 0.00 C ATOM 911 C VAL A 63 4.429 4.066 -1.995 1.00 0.00 C ATOM 912 O VAL A 63 4.235 4.344 -0.811 1.00 0.00 O ATOM 913 CB VAL A 63 3.557 1.834 -2.694 1.00 0.00 C ATOM 914 CG1 VAL A 63 2.567 1.973 -1.548 1.00 0.00 C ATOM 915 CG2 VAL A 63 2.927 2.266 -4.010 1.00 0.00 C ATOM 0 H VAL A 63 5.182 1.869 -0.500 1.00 0.00 H new ATOM 0 HA VAL A 63 5.432 2.705 -3.319 1.00 0.00 H new ATOM 0 HB VAL A 63 3.834 0.783 -2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.674 1.387 -1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.024 1.611 -0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.293 3.021 -1.429 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.029 1.676 -4.195 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.663 3.322 -3.958 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.637 2.110 -4.822 1.00 0.00 H new ATOM 925 N LEU A 64 4.307 4.953 -2.975 1.00 0.00 N ATOM 926 CA LEU A 64 3.928 6.337 -2.711 1.00 0.00 C ATOM 927 C LEU A 64 2.861 6.807 -3.694 1.00 0.00 C ATOM 928 O LEU A 64 3.144 7.044 -4.869 1.00 0.00 O ATOM 929 CB LEU A 64 5.155 7.248 -2.800 1.00 0.00 C ATOM 930 CG LEU A 64 4.877 8.751 -2.773 1.00 0.00 C ATOM 931 CD1 LEU A 64 4.165 9.141 -1.487 1.00 0.00 C ATOM 932 CD2 LEU A 64 6.173 9.535 -2.926 1.00 0.00 C ATOM 0 H LEU A 64 4.465 4.739 -3.960 1.00 0.00 H new ATOM 0 HA LEU A 64 3.516 6.389 -1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.822 7.007 -1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.691 7.014 -3.720 1.00 0.00 H new ATOM 0 HG LEU A 64 4.225 8.995 -3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.976 10.215 -1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.218 8.606 -1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.790 8.883 -0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.957 10.603 -2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.848 9.285 -2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.643 9.279 -3.875 1.00 0.00 H new ATOM 944 N LEU A 65 1.633 6.941 -3.206 1.00 0.00 N ATOM 945 CA LEU A 65 0.522 7.385 -4.040 1.00 0.00 C ATOM 946 C LEU A 65 0.364 8.901 -3.976 1.00 0.00 C ATOM 947 O LEU A 65 0.139 9.467 -2.906 1.00 0.00 O ATOM 948 CB LEU A 65 -0.776 6.706 -3.599 1.00 0.00 C ATOM 949 CG LEU A 65 -0.694 5.201 -3.344 1.00 0.00 C ATOM 950 CD1 LEU A 65 -1.800 4.758 -2.399 1.00 0.00 C ATOM 951 CD2 LEU A 65 -0.771 4.433 -4.656 1.00 0.00 C ATOM 0 H LEU A 65 1.381 6.748 -2.236 1.00 0.00 H new ATOM 0 HA LEU A 65 0.739 7.105 -5.071 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.124 7.190 -2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.533 6.884 -4.363 1.00 0.00 H new ATOM 0 HG LEU A 65 0.265 4.983 -2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.725 3.684 -2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.699 5.283 -1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.770 4.989 -2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.711 3.363 -4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.715 4.657 -5.154 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.058 4.728 -5.300 1.00 0.00 H new ATOM 963 N ASP A 66 0.480 9.552 -5.128 1.00 0.00 N ATOM 964 CA ASP A 66 0.347 11.002 -5.203 1.00 0.00 C ATOM 965 C ASP A 66 -1.007 11.394 -5.788 1.00 0.00 C ATOM 966 O ASP A 66 -1.538 10.711 -6.662 1.00 0.00 O ATOM 967 CB ASP A 66 1.473 11.596 -6.051 1.00 0.00 C ATOM 968 CG ASP A 66 1.594 10.925 -7.405 1.00 0.00 C ATOM 969 OD1 ASP A 66 1.309 9.712 -7.494 1.00 0.00 O ATOM 970 OD2 ASP A 66 1.973 11.613 -8.376 1.00 0.00 O ATOM 0 H ASP A 66 0.666 9.099 -6.023 1.00 0.00 H new ATOM 0 HA ASP A 66 0.415 11.401 -4.191 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.294 12.662 -6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.417 11.499 -5.515 1.00 0.00 H new ATOM 975 N GLY A 67 -1.560 12.499 -5.297 1.00 0.00 N ATOM 976 CA GLY A 67 -2.848 12.962 -5.781 1.00 0.00 C ATOM 977 C GLY A 67 -4.008 12.303 -5.062 1.00 0.00 C ATOM 978 O GLY A 67 -4.715 11.474 -5.637 1.00 0.00 O ATOM 0 H GLY A 67 -1.139 13.082 -4.573 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.913 14.043 -5.655 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.925 12.761 -6.849 1.00 0.00 H new ATOM 982 N LEU A 68 -4.206 12.670 -3.800 1.00 0.00 N ATOM 983 CA LEU A 68 -5.288 12.107 -3.001 1.00 0.00 C ATOM 984 C LEU A 68 -6.073 13.209 -2.295 1.00 0.00 C ATOM 985 O LEU A 68 -5.683 14.376 -2.322 1.00 0.00 O ATOM 986 CB LEU A 68 -4.730 11.123 -1.971 1.00 0.00 C ATOM 987 CG LEU A 68 -4.058 9.871 -2.534 1.00 0.00 C ATOM 988 CD1 LEU A 68 -3.164 9.227 -1.486 1.00 0.00 C ATOM 989 CD2 LEU A 68 -5.102 8.881 -3.028 1.00 0.00 C ATOM 0 H LEU A 68 -3.631 13.355 -3.309 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.964 11.576 -3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.007 11.650 -1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.545 10.811 -1.318 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.437 10.166 -3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.694 8.337 -1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.393 9.935 -1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.763 8.947 -0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.605 7.996 -3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.750 8.592 -2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.700 9.344 -3.813 1.00 0.00 H new ATOM 1001 N GLU A 69 -7.179 12.828 -1.663 1.00 0.00 N ATOM 1002 CA GLU A 69 -8.017 13.785 -0.949 1.00 0.00 C ATOM 1003 C GLU A 69 -7.813 13.668 0.558 1.00 0.00 C ATOM 1004 O GLU A 69 -7.636 12.579 1.104 1.00 0.00 O ATOM 1005 CB GLU A 69 -9.491 13.562 -1.294 1.00 0.00 C ATOM 1006 CG GLU A 69 -9.790 13.661 -2.781 1.00 0.00 C ATOM 1007 CD GLU A 69 -9.579 12.346 -3.507 1.00 0.00 C ATOM 1008 OE1 GLU A 69 -8.436 12.080 -3.933 1.00 0.00 O ATOM 1009 OE2 GLU A 69 -10.559 11.584 -3.649 1.00 0.00 O ATOM 0 H GLU A 69 -7.515 11.865 -1.631 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.726 14.788 -1.261 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.794 12.578 -0.936 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.095 14.296 -0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.821 13.987 -2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.152 14.424 -3.226 1.00 0.00 H new ATOM 1016 N PRO A 70 -7.837 14.818 1.249 1.00 0.00 N ATOM 1017 CA PRO A 70 -7.657 14.872 2.703 1.00 0.00 C ATOM 1018 C PRO A 70 -8.842 14.280 3.457 1.00 0.00 C ATOM 1019 O PRO A 70 -9.985 14.374 3.010 1.00 0.00 O ATOM 1020 CB PRO A 70 -7.535 16.370 2.990 1.00 0.00 C ATOM 1021 CG PRO A 70 -8.257 17.031 1.866 1.00 0.00 C ATOM 1022 CD PRO A 70 -8.044 16.153 0.664 1.00 0.00 C ATOM 0 HA PRO A 70 -6.795 14.290 3.028 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -7.980 16.626 3.952 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.491 16.682 3.028 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.319 17.134 2.091 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.870 18.035 1.690 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.905 16.170 -0.004 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.182 16.474 0.080 1.00 0.00 H new ATOM 1030 N GLY A 71 -8.563 13.669 4.605 1.00 0.00 N ATOM 1031 CA GLY A 71 -9.618 13.071 5.402 1.00 0.00 C ATOM 1032 C GLY A 71 -10.336 11.955 4.670 1.00 0.00 C ATOM 1033 O GLY A 71 -11.565 11.884 4.685 1.00 0.00 O ATOM 0 H GLY A 71 -7.626 13.578 4.997 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.193 12.680 6.327 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.338 13.840 5.682 1.00 0.00 H new ATOM 1037 N ARG A 72 -9.569 11.081 4.027 1.00 0.00 N ATOM 1038 CA ARG A 72 -10.140 9.965 3.283 1.00 0.00 C ATOM 1039 C ARG A 72 -9.402 8.667 3.598 1.00 0.00 C ATOM 1040 O ARG A 72 -8.172 8.636 3.643 1.00 0.00 O ATOM 1041 CB ARG A 72 -10.084 10.244 1.780 1.00 0.00 C ATOM 1042 CG ARG A 72 -10.961 9.316 0.956 1.00 0.00 C ATOM 1043 CD ARG A 72 -11.253 9.900 -0.418 1.00 0.00 C ATOM 1044 NE ARG A 72 -11.957 8.952 -1.277 1.00 0.00 N ATOM 1045 CZ ARG A 72 -12.698 9.314 -2.319 1.00 0.00 C ATOM 1046 NH1 ARG A 72 -12.830 10.596 -2.628 1.00 0.00 N ATOM 1047 NH2 ARG A 72 -13.308 8.392 -3.053 1.00 0.00 N ATOM 0 H ARG A 72 -8.550 11.124 4.006 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.181 9.854 3.586 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.389 11.275 1.599 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.052 10.152 1.440 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -10.467 8.351 0.845 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.898 9.136 1.483 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.852 10.804 -0.308 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.317 10.194 -0.893 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.876 7.957 -1.066 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -12.362 11.307 -2.066 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -13.399 10.872 -3.428 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.208 7.405 -2.818 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.877 8.671 -3.853 1.00 0.00 H new ATOM 1061 N ASP A 73 -10.160 7.599 3.817 1.00 0.00 N ATOM 1062 CA ASP A 73 -9.579 6.298 4.127 1.00 0.00 C ATOM 1063 C ASP A 73 -9.395 5.469 2.860 1.00 0.00 C ATOM 1064 O ASP A 73 -10.309 5.354 2.043 1.00 0.00 O ATOM 1065 CB ASP A 73 -10.463 5.544 5.121 1.00 0.00 C ATOM 1066 CG ASP A 73 -9.737 4.390 5.783 1.00 0.00 C ATOM 1067 OD1 ASP A 73 -8.495 4.457 5.894 1.00 0.00 O ATOM 1068 OD2 ASP A 73 -10.410 3.419 6.189 1.00 0.00 O ATOM 0 H ASP A 73 -11.179 7.608 3.786 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.600 6.463 4.577 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.815 6.235 5.887 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -11.345 5.166 4.604 1.00 0.00 H new ATOM 1073 N TYR A 74 -8.208 4.893 2.704 1.00 0.00 N ATOM 1074 CA TYR A 74 -7.903 4.077 1.534 1.00 0.00 C ATOM 1075 C TYR A 74 -7.517 2.659 1.945 1.00 0.00 C ATOM 1076 O TYR A 74 -6.982 2.441 3.032 1.00 0.00 O ATOM 1077 CB TYR A 74 -6.771 4.712 0.724 1.00 0.00 C ATOM 1078 CG TYR A 74 -7.142 6.040 0.105 1.00 0.00 C ATOM 1079 CD1 TYR A 74 -7.841 6.099 -1.094 1.00 0.00 C ATOM 1080 CD2 TYR A 74 -6.793 7.237 0.719 1.00 0.00 C ATOM 1081 CE1 TYR A 74 -8.181 7.311 -1.664 1.00 0.00 C ATOM 1082 CE2 TYR A 74 -7.129 8.453 0.157 1.00 0.00 C ATOM 1083 CZ TYR A 74 -7.823 8.485 -1.035 1.00 0.00 C ATOM 1084 OH TYR A 74 -8.161 9.694 -1.599 1.00 0.00 O ATOM 0 H TYR A 74 -7.442 4.976 3.372 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.799 4.025 0.915 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.906 4.852 1.372 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.470 4.024 -0.066 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.124 5.182 -1.589 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.249 7.216 1.652 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.724 7.339 -2.597 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.850 9.374 0.648 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.648 9.540 -2.436 1.00 0.00 H new ATOM 1094 N GLU A 75 -7.791 1.700 1.067 1.00 0.00 N ATOM 1095 CA GLU A 75 -7.472 0.303 1.338 1.00 0.00 C ATOM 1096 C GLU A 75 -6.352 -0.187 0.425 1.00 0.00 C ATOM 1097 O GLU A 75 -6.604 -0.810 -0.606 1.00 0.00 O ATOM 1098 CB GLU A 75 -8.714 -0.572 1.154 1.00 0.00 C ATOM 1099 CG GLU A 75 -9.838 -0.246 2.124 1.00 0.00 C ATOM 1100 CD GLU A 75 -10.709 -1.448 2.433 1.00 0.00 C ATOM 1101 OE1 GLU A 75 -11.322 -1.993 1.491 1.00 0.00 O ATOM 1102 OE2 GLU A 75 -10.777 -1.844 3.615 1.00 0.00 O ATOM 0 H GLU A 75 -8.233 1.864 0.162 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.133 0.229 2.371 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.081 -0.457 0.134 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.432 -1.618 1.276 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.413 0.138 3.051 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.456 0.548 1.704 1.00 0.00 H new ATOM 1109 N VAL A 76 -5.113 0.102 0.811 1.00 0.00 N ATOM 1110 CA VAL A 76 -3.954 -0.309 0.029 1.00 0.00 C ATOM 1111 C VAL A 76 -3.511 -1.720 0.401 1.00 0.00 C ATOM 1112 O VAL A 76 -3.024 -1.957 1.506 1.00 0.00 O ATOM 1113 CB VAL A 76 -2.771 0.658 0.229 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -1.629 0.306 -0.712 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -3.219 2.097 0.022 1.00 0.00 C ATOM 0 H VAL A 76 -4.887 0.619 1.661 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.256 -0.291 -1.018 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.411 0.557 1.253 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.803 0.999 -0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.292 -0.711 -0.511 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.973 0.377 -1.744 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.371 2.766 0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.606 2.216 -0.990 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.001 2.341 0.741 1.00 0.00 H new ATOM 1125 N SER A 77 -3.683 -2.653 -0.530 1.00 0.00 N ATOM 1126 CA SER A 77 -3.305 -4.042 -0.299 1.00 0.00 C ATOM 1127 C SER A 77 -2.060 -4.406 -1.102 1.00 0.00 C ATOM 1128 O SER A 77 -1.972 -4.121 -2.296 1.00 0.00 O ATOM 1129 CB SER A 77 -4.457 -4.976 -0.672 1.00 0.00 C ATOM 1130 OG SER A 77 -4.816 -4.824 -2.035 1.00 0.00 O ATOM 0 H SER A 77 -4.082 -2.472 -1.451 1.00 0.00 H new ATOM 0 HA SER A 77 -3.081 -4.160 0.761 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.167 -6.010 -0.482 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.320 -4.765 -0.040 1.00 0.00 H new ATOM 0 HG SER A 77 -5.553 -5.433 -2.249 1.00 0.00 H new ATOM 1136 N VAL A 78 -1.098 -5.039 -0.437 1.00 0.00 N ATOM 1137 CA VAL A 78 0.142 -5.444 -1.087 1.00 0.00 C ATOM 1138 C VAL A 78 0.224 -6.961 -1.219 1.00 0.00 C ATOM 1139 O VAL A 78 -0.129 -7.693 -0.295 1.00 0.00 O ATOM 1140 CB VAL A 78 1.374 -4.940 -0.311 1.00 0.00 C ATOM 1141 CG1 VAL A 78 2.656 -5.410 -0.980 1.00 0.00 C ATOM 1142 CG2 VAL A 78 1.347 -3.424 -0.196 1.00 0.00 C ATOM 0 H VAL A 78 -1.154 -5.282 0.552 1.00 0.00 H new ATOM 0 HA VAL A 78 0.139 -4.995 -2.080 1.00 0.00 H new ATOM 0 HB VAL A 78 1.344 -5.358 0.695 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.515 -5.044 -0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.675 -6.500 -1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.698 -5.024 -1.998 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.224 -3.085 0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.352 -2.983 -1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.445 -3.115 0.333 1.00 0.00 H new ATOM 1152 N GLN A 79 0.691 -7.424 -2.374 1.00 0.00 N ATOM 1153 CA GLN A 79 0.819 -8.855 -2.626 1.00 0.00 C ATOM 1154 C GLN A 79 2.151 -9.173 -3.297 1.00 0.00 C ATOM 1155 O GLN A 79 2.431 -8.699 -4.398 1.00 0.00 O ATOM 1156 CB GLN A 79 -0.336 -9.344 -3.502 1.00 0.00 C ATOM 1157 CG GLN A 79 -0.102 -10.721 -4.103 1.00 0.00 C ATOM 1158 CD GLN A 79 -1.143 -11.088 -5.143 1.00 0.00 C ATOM 1159 OE1 GLN A 79 -1.974 -10.263 -5.524 1.00 0.00 O ATOM 1160 NE2 GLN A 79 -1.103 -12.331 -5.608 1.00 0.00 N ATOM 0 H GLN A 79 0.987 -6.830 -3.149 1.00 0.00 H new ATOM 0 HA GLN A 79 0.784 -9.372 -1.667 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.249 -9.367 -2.906 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.499 -8.628 -4.307 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.888 -10.751 -4.559 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.110 -11.466 -3.308 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.397 -12.982 -5.264 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.778 -12.635 -6.309 1.00 0.00 H new ATOM 1169 N SER A 80 2.969 -9.977 -2.625 1.00 0.00 N ATOM 1170 CA SER A 80 4.274 -10.354 -3.154 1.00 0.00 C ATOM 1171 C SER A 80 4.126 -11.160 -4.441 1.00 0.00 C ATOM 1172 O SER A 80 3.666 -12.302 -4.423 1.00 0.00 O ATOM 1173 CB SER A 80 5.053 -11.167 -2.118 1.00 0.00 C ATOM 1174 OG SER A 80 5.062 -10.514 -0.860 1.00 0.00 O ATOM 0 H SER A 80 2.751 -10.380 -1.714 1.00 0.00 H new ATOM 0 HA SER A 80 4.825 -9.441 -3.378 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.605 -12.155 -2.015 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.077 -11.315 -2.462 1.00 0.00 H new ATOM 0 HG SER A 80 5.422 -11.120 -0.179 1.00 0.00 H new ATOM 1180 N LEU A 81 4.520 -10.557 -5.558 1.00 0.00 N ATOM 1181 CA LEU A 81 4.432 -11.217 -6.856 1.00 0.00 C ATOM 1182 C LEU A 81 5.798 -11.730 -7.299 1.00 0.00 C ATOM 1183 O LEU A 81 6.726 -10.950 -7.511 1.00 0.00 O ATOM 1184 CB LEU A 81 3.872 -10.253 -7.903 1.00 0.00 C ATOM 1185 CG LEU A 81 2.394 -9.888 -7.757 1.00 0.00 C ATOM 1186 CD1 LEU A 81 1.886 -9.206 -9.018 1.00 0.00 C ATOM 1187 CD2 LEU A 81 1.566 -11.127 -7.448 1.00 0.00 C ATOM 0 H LEU A 81 4.903 -9.612 -5.591 1.00 0.00 H new ATOM 0 HA LEU A 81 3.759 -12.069 -6.759 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.457 -9.334 -7.872 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.021 -10.693 -8.889 1.00 0.00 H new ATOM 0 HG LEU A 81 2.292 -9.191 -6.925 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.833 -8.954 -8.896 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.459 -8.296 -9.196 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.002 -9.879 -9.867 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.517 -10.848 -7.348 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.674 -11.848 -8.258 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.913 -11.574 -6.516 1.00 0.00 H new ATOM 1199 N ARG A 82 5.912 -13.047 -7.440 1.00 0.00 N ATOM 1200 CA ARG A 82 7.165 -13.664 -7.860 1.00 0.00 C ATOM 1201 C ARG A 82 7.093 -14.102 -9.320 1.00 0.00 C ATOM 1202 O ARG A 82 8.098 -14.493 -9.912 1.00 0.00 O ATOM 1203 CB ARG A 82 7.488 -14.867 -6.972 1.00 0.00 C ATOM 1204 CG ARG A 82 6.622 -16.083 -7.255 1.00 0.00 C ATOM 1205 CD ARG A 82 7.359 -17.376 -6.943 1.00 0.00 C ATOM 1206 NE ARG A 82 7.173 -17.792 -5.556 1.00 0.00 N ATOM 1207 CZ ARG A 82 6.104 -18.453 -5.124 1.00 0.00 C ATOM 1208 NH1 ARG A 82 5.132 -18.771 -5.967 1.00 0.00 N ATOM 1209 NH2 ARG A 82 6.007 -18.796 -3.846 1.00 0.00 N ATOM 0 H ARG A 82 5.153 -13.707 -7.270 1.00 0.00 H new ATOM 0 HA ARG A 82 7.958 -12.922 -7.759 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.535 -15.138 -7.108 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.366 -14.580 -5.928 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.711 -16.029 -6.659 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.318 -16.079 -8.302 1.00 0.00 H new ATOM 0 HD2 ARG A 82 7.006 -18.164 -7.608 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.422 -17.244 -7.142 1.00 0.00 H new ATOM 0 HE ARG A 82 7.903 -17.563 -4.882 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.203 -18.508 -6.950 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.313 -19.278 -5.633 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.753 -18.552 -3.195 1.00 0.00 H new ATOM 0 HH22 ARG A 82 5.186 -19.303 -3.515 1.00 0.00 H new ATOM 1223 N GLY A 83 5.895 -14.033 -9.895 1.00 0.00 N ATOM 1224 CA GLY A 83 5.714 -14.425 -11.280 1.00 0.00 C ATOM 1225 C GLY A 83 4.321 -14.956 -11.555 1.00 0.00 C ATOM 1226 O GLY A 83 3.382 -14.199 -11.799 1.00 0.00 O ATOM 0 H GLY A 83 5.048 -13.713 -9.426 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.907 -13.568 -11.925 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.448 -15.189 -11.537 1.00 0.00 H new ATOM 1230 N PRO A 84 4.174 -16.289 -11.519 1.00 0.00 N ATOM 1231 CA PRO A 84 2.889 -16.951 -11.764 1.00 0.00 C ATOM 1232 C PRO A 84 1.890 -16.712 -10.638 1.00 0.00 C ATOM 1233 O PRO A 84 0.753 -16.309 -10.881 1.00 0.00 O ATOM 1234 CB PRO A 84 3.263 -18.433 -11.842 1.00 0.00 C ATOM 1235 CG PRO A 84 4.516 -18.550 -11.044 1.00 0.00 C ATOM 1236 CD PRO A 84 5.251 -17.253 -11.234 1.00 0.00 C ATOM 0 HA PRO A 84 2.400 -16.573 -12.662 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.473 -19.063 -11.433 1.00 0.00 H new ATOM 0 HB3 PRO A 84 3.420 -18.748 -12.874 1.00 0.00 H new ATOM 0 HG2 PRO A 84 4.293 -18.722 -9.991 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.118 -19.393 -11.384 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.813 -16.975 -10.342 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.965 -17.312 -12.055 1.00 0.00 H new ATOM 1244 N GLU A 85 2.322 -16.962 -9.406 1.00 0.00 N ATOM 1245 CA GLU A 85 1.463 -16.774 -8.243 1.00 0.00 C ATOM 1246 C GLU A 85 2.147 -15.898 -7.197 1.00 0.00 C ATOM 1247 O GLU A 85 3.371 -15.894 -7.080 1.00 0.00 O ATOM 1248 CB GLU A 85 1.094 -18.126 -7.629 1.00 0.00 C ATOM 1249 CG GLU A 85 2.293 -18.915 -7.129 1.00 0.00 C ATOM 1250 CD GLU A 85 2.033 -20.408 -7.091 1.00 0.00 C ATOM 1251 OE1 GLU A 85 1.131 -20.835 -6.341 1.00 0.00 O ATOM 1252 OE2 GLU A 85 2.733 -21.150 -7.811 1.00 0.00 O ATOM 0 H GLU A 85 3.261 -17.295 -9.188 1.00 0.00 H new ATOM 0 HA GLU A 85 0.553 -16.273 -8.573 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.405 -17.963 -6.800 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.563 -18.720 -8.372 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.149 -18.715 -7.773 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.559 -18.571 -6.130 1.00 0.00 H new ATOM 1259 N GLY A 86 1.345 -15.155 -6.439 1.00 0.00 N ATOM 1260 CA GLY A 86 1.891 -14.285 -5.414 1.00 0.00 C ATOM 1261 C GLY A 86 1.523 -14.737 -4.014 1.00 0.00 C ATOM 1262 O GLY A 86 1.146 -15.890 -3.806 1.00 0.00 O ATOM 0 H GLY A 86 0.328 -15.140 -6.517 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.976 -14.253 -5.509 1.00 0.00 H new ATOM 0 HA3 GLY A 86 1.528 -13.270 -5.572 1.00 0.00 H new ATOM 1266 N SER A 87 1.634 -13.827 -3.052 1.00 0.00 N ATOM 1267 CA SER A 87 1.316 -14.139 -1.664 1.00 0.00 C ATOM 1268 C SER A 87 -0.098 -13.686 -1.315 1.00 0.00 C ATOM 1269 O SER A 87 -0.836 -13.205 -2.174 1.00 0.00 O ATOM 1270 CB SER A 87 2.324 -13.473 -0.725 1.00 0.00 C ATOM 1271 OG SER A 87 2.292 -12.063 -0.861 1.00 0.00 O ATOM 0 H SER A 87 1.942 -12.867 -3.208 1.00 0.00 H new ATOM 0 HA SER A 87 1.373 -15.220 -1.539 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.102 -13.747 0.306 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.327 -13.840 -0.943 1.00 0.00 H new ATOM 0 HG SER A 87 3.037 -11.669 -0.361 1.00 0.00 H new ATOM 1277 N GLU A 88 -0.468 -13.843 -0.048 1.00 0.00 N ATOM 1278 CA GLU A 88 -1.794 -13.450 0.415 1.00 0.00 C ATOM 1279 C GLU A 88 -1.957 -11.934 0.376 1.00 0.00 C ATOM 1280 O GLU A 88 -0.974 -11.195 0.314 1.00 0.00 O ATOM 1281 CB GLU A 88 -2.036 -13.965 1.835 1.00 0.00 C ATOM 1282 CG GLU A 88 -2.599 -15.375 1.884 1.00 0.00 C ATOM 1283 CD GLU A 88 -3.018 -15.788 3.282 1.00 0.00 C ATOM 1284 OE1 GLU A 88 -2.153 -16.263 4.046 1.00 0.00 O ATOM 1285 OE2 GLU A 88 -4.213 -15.634 3.611 1.00 0.00 O ATOM 0 H GLU A 88 0.131 -14.239 0.676 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.531 -13.894 -0.255 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.096 -13.939 2.387 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.724 -13.290 2.345 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.458 -15.443 1.216 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.850 -16.074 1.512 1.00 0.00 H new ATOM 1292 N ALA A 89 -3.204 -11.477 0.414 1.00 0.00 N ATOM 1293 CA ALA A 89 -3.496 -10.049 0.385 1.00 0.00 C ATOM 1294 C ALA A 89 -3.326 -9.426 1.766 1.00 0.00 C ATOM 1295 O ALA A 89 -4.038 -9.775 2.707 1.00 0.00 O ATOM 1296 CB ALA A 89 -4.907 -9.810 -0.134 1.00 0.00 C ATOM 0 H ALA A 89 -4.029 -12.075 0.465 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.786 -9.571 -0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.112 -8.740 -0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.997 -10.212 -1.143 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.624 -10.307 0.520 1.00 0.00 H new ATOM 1302 N ARG A 90 -2.377 -8.503 1.880 1.00 0.00 N ATOM 1303 CA ARG A 90 -2.111 -7.833 3.148 1.00 0.00 C ATOM 1304 C ARG A 90 -2.057 -6.319 2.961 1.00 0.00 C ATOM 1305 O ARG A 90 -1.042 -5.772 2.532 1.00 0.00 O ATOM 1306 CB ARG A 90 -0.795 -8.331 3.747 1.00 0.00 C ATOM 1307 CG ARG A 90 -0.812 -9.806 4.114 1.00 0.00 C ATOM 1308 CD ARG A 90 -1.540 -10.044 5.428 1.00 0.00 C ATOM 1309 NE ARG A 90 -0.661 -9.870 6.580 1.00 0.00 N ATOM 1310 CZ ARG A 90 -1.075 -9.951 7.840 1.00 0.00 C ATOM 1311 NH1 ARG A 90 -2.349 -10.201 8.107 1.00 0.00 N ATOM 1312 NH2 ARG A 90 -0.214 -9.781 8.835 1.00 0.00 N ATOM 0 H ARG A 90 -1.779 -8.202 1.110 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.925 -8.069 3.833 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.010 -8.152 3.034 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.567 -7.746 4.638 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.297 -10.374 3.320 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.211 -10.175 4.191 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.381 -9.355 5.506 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.953 -11.053 5.436 1.00 0.00 H new ATOM 0 HE ARG A 90 0.325 -9.675 6.408 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.014 -10.332 7.344 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.665 -10.263 9.075 1.00 0.00 H new ATOM 0 HH21 ARG A 90 0.767 -9.588 8.633 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -0.533 -9.843 9.802 1.00 0.00 H new ATOM 1326 N GLY A 91 -3.158 -5.648 3.287 1.00 0.00 N ATOM 1327 CA GLY A 91 -3.215 -4.205 3.148 1.00 0.00 C ATOM 1328 C GLY A 91 -3.403 -3.501 4.477 1.00 0.00 C ATOM 1329 O GLY A 91 -3.788 -4.124 5.467 1.00 0.00 O ATOM 0 H GLY A 91 -4.011 -6.078 3.645 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.296 -3.852 2.680 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.035 -3.940 2.481 1.00 0.00 H new ATOM 1333 N ILE A 92 -3.129 -2.201 4.501 1.00 0.00 N ATOM 1334 CA ILE A 92 -3.269 -1.414 5.719 1.00 0.00 C ATOM 1335 C ILE A 92 -4.109 -0.165 5.473 1.00 0.00 C ATOM 1336 O ILE A 92 -4.064 0.422 4.391 1.00 0.00 O ATOM 1337 CB ILE A 92 -1.897 -0.993 6.279 1.00 0.00 C ATOM 1338 CG1 ILE A 92 -2.048 -0.441 7.698 1.00 0.00 C ATOM 1339 CG2 ILE A 92 -1.247 0.039 5.369 1.00 0.00 C ATOM 1340 CD1 ILE A 92 -0.730 -0.094 8.354 1.00 0.00 C ATOM 0 H ILE A 92 -2.809 -1.671 3.691 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.771 -2.049 6.449 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.252 -1.871 6.318 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.675 0.450 7.668 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.568 -1.176 8.312 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.278 0.326 5.778 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.109 -0.388 4.375 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.887 0.918 5.301 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.913 0.291 9.357 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.108 -0.987 8.416 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.218 0.664 7.762 1.00 0.00 H new ATOM 1352 N ARG A 93 -4.873 0.236 6.483 1.00 0.00 N ATOM 1353 CA ARG A 93 -5.723 1.416 6.377 1.00 0.00 C ATOM 1354 C ARG A 93 -4.890 2.663 6.099 1.00 0.00 C ATOM 1355 O ARG A 93 -3.902 2.927 6.784 1.00 0.00 O ATOM 1356 CB ARG A 93 -6.532 1.605 7.661 1.00 0.00 C ATOM 1357 CG ARG A 93 -7.861 0.869 7.659 1.00 0.00 C ATOM 1358 CD ARG A 93 -8.904 1.597 8.493 1.00 0.00 C ATOM 1359 NE ARG A 93 -8.797 1.267 9.912 1.00 0.00 N ATOM 1360 CZ ARG A 93 -9.334 0.181 10.456 1.00 0.00 C ATOM 1361 NH1 ARG A 93 -10.011 -0.676 9.705 1.00 0.00 N ATOM 1362 NH2 ARG A 93 -9.193 -0.050 11.755 1.00 0.00 N ATOM 0 H ARG A 93 -4.921 -0.239 7.384 1.00 0.00 H new ATOM 0 HA ARG A 93 -6.409 1.265 5.543 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -5.938 1.262 8.508 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.716 2.669 7.811 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.220 0.767 6.635 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.720 -0.139 8.050 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -8.787 2.673 8.361 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.900 1.338 8.135 1.00 0.00 H new ATOM 0 HE ARG A 93 -8.282 1.905 10.518 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -10.121 -0.502 8.706 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -10.422 -1.509 10.126 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -8.672 0.607 12.336 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.606 -0.884 12.172 1.00 0.00 H new ATOM 1376 N ALA A 94 -5.295 3.426 5.089 1.00 0.00 N ATOM 1377 CA ALA A 94 -4.587 4.646 4.721 1.00 0.00 C ATOM 1378 C ALA A 94 -5.366 5.884 5.153 1.00 0.00 C ATOM 1379 O ALA A 94 -6.249 6.355 4.437 1.00 0.00 O ATOM 1380 CB ALA A 94 -4.333 4.677 3.221 1.00 0.00 C ATOM 0 H ALA A 94 -6.110 3.221 4.511 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.629 4.652 5.241 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.804 5.594 2.960 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.729 3.816 2.936 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.284 4.644 2.690 1.00 0.00 H new ATOM 1386 N ARG A 95 -5.033 6.406 6.329 1.00 0.00 N ATOM 1387 CA ARG A 95 -5.703 7.589 6.857 1.00 0.00 C ATOM 1388 C ARG A 95 -4.912 8.853 6.531 1.00 0.00 C ATOM 1389 O ARG A 95 -3.683 8.829 6.459 1.00 0.00 O ATOM 1390 CB ARG A 95 -5.885 7.465 8.371 1.00 0.00 C ATOM 1391 CG ARG A 95 -4.723 8.030 9.172 1.00 0.00 C ATOM 1392 CD ARG A 95 -4.694 7.466 10.584 1.00 0.00 C ATOM 1393 NE ARG A 95 -4.023 6.171 10.643 1.00 0.00 N ATOM 1394 CZ ARG A 95 -4.660 5.008 10.551 1.00 0.00 C ATOM 1395 NH1 ARG A 95 -5.977 4.981 10.397 1.00 0.00 N ATOM 1396 NH2 ARG A 95 -3.980 3.871 10.613 1.00 0.00 N ATOM 0 H ARG A 95 -4.304 6.029 6.934 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.683 7.662 6.385 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.800 7.980 8.662 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.015 6.414 8.628 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -3.785 7.799 8.667 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -4.803 9.116 9.214 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -4.185 8.168 11.244 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -5.714 7.363 10.954 1.00 0.00 H new ATOM 0 HE ARG A 95 -3.010 6.158 10.761 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -6.503 5.854 10.349 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -6.464 4.088 10.327 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -2.967 3.888 10.731 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.470 2.979 10.542 1.00 0.00 H new ATOM 1410 N THR A 96 -5.626 9.956 6.333 1.00 0.00 N ATOM 1411 CA THR A 96 -4.993 11.229 6.013 1.00 0.00 C ATOM 1412 C THR A 96 -5.739 12.392 6.657 1.00 0.00 C ATOM 1413 O THR A 96 -6.968 12.461 6.635 1.00 0.00 O ATOM 1414 CB THR A 96 -4.927 11.456 4.491 1.00 0.00 C ATOM 1415 OG1 THR A 96 -6.205 11.196 3.900 1.00 0.00 O ATOM 1416 CG2 THR A 96 -3.876 10.559 3.855 1.00 0.00 C ATOM 0 H THR A 96 -6.644 9.993 6.389 1.00 0.00 H new ATOM 0 HA THR A 96 -3.979 11.187 6.411 1.00 0.00 H new ATOM 0 HB THR A 96 -4.650 12.495 4.313 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.154 11.344 2.933 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.848 10.737 2.780 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.899 10.781 4.285 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.127 9.515 4.043 1.00 0.00 H new ATOM 1424 N PRO A 97 -4.981 13.330 7.244 1.00 0.00 N ATOM 1425 CA PRO A 97 -5.550 14.509 7.904 1.00 0.00 C ATOM 1426 C PRO A 97 -6.166 15.489 6.911 1.00 0.00 C ATOM 1427 O PRO A 97 -6.417 15.143 5.756 1.00 0.00 O ATOM 1428 CB PRO A 97 -4.343 15.142 8.601 1.00 0.00 C ATOM 1429 CG PRO A 97 -3.167 14.689 7.808 1.00 0.00 C ATOM 1430 CD PRO A 97 -3.510 13.313 7.307 1.00 0.00 C ATOM 0 HA PRO A 97 -6.361 14.245 8.582 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -4.418 16.229 8.612 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -4.270 14.817 9.639 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.971 15.368 6.979 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -2.267 14.667 8.422 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.068 13.119 6.330 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -3.146 12.538 7.981 1.00 0.00 H new ATOM 1438 N THR A 98 -6.409 16.713 7.368 1.00 0.00 N ATOM 1439 CA THR A 98 -6.996 17.743 6.520 1.00 0.00 C ATOM 1440 C THR A 98 -6.170 19.024 6.558 1.00 0.00 C ATOM 1441 O THR A 98 -6.315 19.841 7.467 1.00 0.00 O ATOM 1442 CB THR A 98 -8.441 18.065 6.947 1.00 0.00 C ATOM 1443 OG1 THR A 98 -8.465 18.493 8.313 1.00 0.00 O ATOM 1444 CG2 THR A 98 -9.339 16.849 6.775 1.00 0.00 C ATOM 0 H THR A 98 -6.208 17.016 8.321 1.00 0.00 H new ATOM 0 HA THR A 98 -7.004 17.349 5.504 1.00 0.00 H new ATOM 0 HB THR A 98 -8.815 18.866 6.310 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.719 19.108 8.476 1.00 0.00 H new ATOM 0 HG21 THR A 98 -10.354 17.100 7.083 1.00 0.00 H new ATOM 0 HG22 THR A 98 -9.342 16.544 5.729 1.00 0.00 H new ATOM 0 HG23 THR A 98 -8.965 16.031 7.390 1.00 0.00 H new ATOM 1452 N SER A 99 -5.304 19.193 5.564 1.00 0.00 N ATOM 1453 CA SER A 99 -4.452 20.374 5.485 1.00 0.00 C ATOM 1454 C SER A 99 -5.179 21.604 6.019 1.00 0.00 C ATOM 1455 O SER A 99 -6.182 22.040 5.455 1.00 0.00 O ATOM 1456 CB SER A 99 -4.010 20.615 4.040 1.00 0.00 C ATOM 1457 OG SER A 99 -5.129 20.775 3.185 1.00 0.00 O ATOM 0 H SER A 99 -5.174 18.527 4.802 1.00 0.00 H new ATOM 0 HA SER A 99 -3.571 20.198 6.102 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.381 21.504 3.992 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.403 19.777 3.697 1.00 0.00 H new ATOM 0 HG SER A 99 -5.889 21.114 3.702 1.00 0.00 H new ATOM 1463 N GLY A 100 -4.664 22.161 7.111 1.00 0.00 N ATOM 1464 CA GLY A 100 -5.276 23.336 7.703 1.00 0.00 C ATOM 1465 C GLY A 100 -6.642 23.045 8.291 1.00 0.00 C ATOM 1466 O GLY A 100 -7.250 22.009 8.020 1.00 0.00 O ATOM 0 H GLY A 100 -3.834 21.820 7.596 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.624 23.727 8.484 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.368 24.114 6.945 1.00 0.00 H new ATOM 1470 N PRO A 101 -7.145 23.973 9.118 1.00 0.00 N ATOM 1471 CA PRO A 101 -8.454 23.832 9.764 1.00 0.00 C ATOM 1472 C PRO A 101 -9.606 23.950 8.772 1.00 0.00 C ATOM 1473 O PRO A 101 -9.461 24.550 7.707 1.00 0.00 O ATOM 1474 CB PRO A 101 -8.484 24.994 10.760 1.00 0.00 C ATOM 1475 CG PRO A 101 -7.556 26.009 10.187 1.00 0.00 C ATOM 1476 CD PRO A 101 -6.476 25.232 9.486 1.00 0.00 C ATOM 0 HA PRO A 101 -8.577 22.853 10.226 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -9.491 25.396 10.869 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -8.159 24.675 11.750 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.078 26.667 9.492 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.137 26.641 10.970 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -6.105 25.761 8.608 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -5.620 25.057 10.137 1.00 0.00 H new ATOM 1484 N SER A 102 -10.749 23.374 9.129 1.00 0.00 N ATOM 1485 CA SER A 102 -11.926 23.412 8.268 1.00 0.00 C ATOM 1486 C SER A 102 -13.055 24.200 8.926 1.00 0.00 C ATOM 1487 O SER A 102 -13.632 25.103 8.320 1.00 0.00 O ATOM 1488 CB SER A 102 -12.397 21.992 7.951 1.00 0.00 C ATOM 1489 OG SER A 102 -13.433 22.003 6.984 1.00 0.00 O ATOM 0 H SER A 102 -10.886 22.875 10.008 1.00 0.00 H new ATOM 0 HA SER A 102 -11.651 23.912 7.339 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.558 21.401 7.583 1.00 0.00 H new ATOM 0 HB3 SER A 102 -12.751 21.511 8.863 1.00 0.00 H new ATOM 0 HG SER A 102 -13.716 21.084 6.797 1.00 0.00 H new ATOM 1495 N SER A 103 -13.364 23.851 10.171 1.00 0.00 N ATOM 1496 CA SER A 103 -14.427 24.522 10.911 1.00 0.00 C ATOM 1497 C SER A 103 -15.641 24.764 10.019 1.00 0.00 C ATOM 1498 O SER A 103 -16.249 25.833 10.056 1.00 0.00 O ATOM 1499 CB SER A 103 -13.922 25.851 11.476 1.00 0.00 C ATOM 1500 OG SER A 103 -12.764 25.661 12.270 1.00 0.00 O ATOM 0 H SER A 103 -12.894 23.108 10.688 1.00 0.00 H new ATOM 0 HA SER A 103 -14.727 23.875 11.735 1.00 0.00 H new ATOM 0 HB2 SER A 103 -13.697 26.536 10.658 1.00 0.00 H new ATOM 0 HB3 SER A 103 -14.705 26.316 12.075 1.00 0.00 H new ATOM 0 HG SER A 103 -12.460 26.525 12.618 1.00 0.00 H new ATOM 1506 N GLY A 104 -15.988 23.761 9.218 1.00 0.00 N ATOM 1507 CA GLY A 104 -17.127 23.883 8.327 1.00 0.00 C ATOM 1508 C GLY A 104 -18.370 23.215 8.881 1.00 0.00 C ATOM 1509 O GLY A 104 -19.491 23.607 8.556 1.00 0.00 O ATOM 0 H GLY A 104 -15.501 22.866 9.170 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -17.334 24.938 8.149 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -16.879 23.440 7.363 1.00 0.00 H new TER 1513 GLY A 104