USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 677 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 NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 48 HIS HE2 : A 48 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 54 LYS NZ :NH3+ -120:sc=-0.00127 (180deg=0) USER MOD Set 1.2: A 63 LYS NZ :NH3+ -169:sc= 0 (180deg=0) USER MOD Set 2.1: A 29 LYS NZ :NH3+ 179:sc= 0.00469 (180deg=-0.00603) USER MOD Set 2.2: A 30 HIS : no HD1:sc= -0.135 X(o=-0.13,f=-0.3) USER MOD Set 3.1: A 26 TYR OH : rot 137:sc= 0.687 USER MOD Set 3.2: A 38 THR OG1 : rot -15:sc= 1.83 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 USER MOD Single : A 9 LYS NZ :NH3+ 155:sc= 0.036 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0399 K(o=-0.04,f=-0.99) USER MOD Single : A 22 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.049) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0.235 X(o=0.24,f=-0.2) USER MOD Single : A 33 SER OG : rot 180:sc= 0.00928 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.857 K(o=-0.86,f=-1.8!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.532! X(o=-0.53!,f=-1) USER MOD Single : A 49 ASN : amide:sc= -0.544 X(o=-0.54,f=-0.046) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 57 LYS NZ :NH3+ -179:sc= -0.118 (180deg=-0.229) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= 0.0365 K(o=0.037,f=-2.8!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.066 X(o=-0.066,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -110:sc=-0.00685 (180deg=-0.522) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.255) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 33:sc= 0.98 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.729 48.931 -14.113 1.00 0.00 N ATOM 2 CA GLY A 1 -28.039 49.385 -12.919 1.00 0.00 C ATOM 3 C GLY A 1 -28.133 48.387 -11.781 1.00 0.00 C ATOM 4 O GLY A 1 -27.297 47.491 -11.662 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.636 49.647 -14.861 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.310 48.036 -14.437 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.736 48.785 -13.898 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.990 49.565 -13.155 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.461 50.338 -12.599 1.00 0.00 H new ATOM 8 N SER A 2 -29.151 48.544 -10.941 1.00 0.00 N ATOM 9 CA SER A 2 -29.347 47.653 -9.804 1.00 0.00 C ATOM 10 C SER A 2 -29.431 46.199 -10.260 1.00 0.00 C ATOM 11 O SER A 2 -30.245 45.852 -11.116 1.00 0.00 O ATOM 12 CB SER A 2 -30.618 48.035 -9.043 1.00 0.00 C ATOM 13 OG SER A 2 -30.360 49.061 -8.101 1.00 0.00 O ATOM 0 H SER A 2 -29.852 49.280 -11.026 1.00 0.00 H new ATOM 0 HA SER A 2 -28.489 47.758 -9.140 1.00 0.00 H new ATOM 0 HB2 SER A 2 -31.381 48.367 -9.747 1.00 0.00 H new ATOM 0 HB3 SER A 2 -31.016 47.159 -8.531 1.00 0.00 H new ATOM 0 HG SER A 2 -31.189 49.288 -7.629 1.00 0.00 H new ATOM 19 N SER A 3 -28.584 45.354 -9.682 1.00 0.00 N ATOM 20 CA SER A 3 -28.559 43.938 -10.032 1.00 0.00 C ATOM 21 C SER A 3 -28.173 43.088 -8.825 1.00 0.00 C ATOM 22 O SER A 3 -27.567 43.579 -7.874 1.00 0.00 O ATOM 23 CB SER A 3 -27.577 43.692 -11.178 1.00 0.00 C ATOM 24 OG SER A 3 -26.242 43.928 -10.766 1.00 0.00 O ATOM 0 H SER A 3 -27.906 45.625 -8.970 1.00 0.00 H new ATOM 0 HA SER A 3 -29.560 43.650 -10.353 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.676 42.666 -11.531 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.822 44.343 -12.017 1.00 0.00 H new ATOM 0 HG SER A 3 -25.634 43.762 -11.516 1.00 0.00 H new ATOM 30 N GLY A 4 -28.531 41.808 -8.872 1.00 0.00 N ATOM 31 CA GLY A 4 -28.215 40.909 -7.778 1.00 0.00 C ATOM 32 C GLY A 4 -26.995 40.056 -8.062 1.00 0.00 C ATOM 33 O GLY A 4 -26.117 39.913 -7.212 1.00 0.00 O ATOM 0 H GLY A 4 -29.034 41.378 -9.648 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -28.045 41.490 -6.872 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -29.070 40.261 -7.585 1.00 0.00 H new ATOM 37 N SER A 5 -26.940 39.486 -9.262 1.00 0.00 N ATOM 38 CA SER A 5 -25.820 38.638 -9.655 1.00 0.00 C ATOM 39 C SER A 5 -25.606 37.518 -8.641 1.00 0.00 C ATOM 40 O SER A 5 -24.473 37.201 -8.279 1.00 0.00 O ATOM 41 CB SER A 5 -24.544 39.471 -9.789 1.00 0.00 C ATOM 42 OG SER A 5 -24.445 40.048 -11.079 1.00 0.00 O ATOM 0 H SER A 5 -27.658 39.596 -9.979 1.00 0.00 H new ATOM 0 HA SER A 5 -26.056 38.191 -10.621 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.538 40.257 -9.034 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.674 38.842 -9.601 1.00 0.00 H new ATOM 0 HG SER A 5 -23.622 40.577 -11.139 1.00 0.00 H new ATOM 48 N SER A 6 -26.704 36.921 -8.187 1.00 0.00 N ATOM 49 CA SER A 6 -26.638 35.838 -7.212 1.00 0.00 C ATOM 50 C SER A 6 -27.074 34.517 -7.838 1.00 0.00 C ATOM 51 O SER A 6 -28.235 34.347 -8.209 1.00 0.00 O ATOM 52 CB SER A 6 -27.518 36.159 -6.003 1.00 0.00 C ATOM 53 OG SER A 6 -27.731 35.005 -5.207 1.00 0.00 O ATOM 0 H SER A 6 -27.649 37.169 -8.479 1.00 0.00 H new ATOM 0 HA SER A 6 -25.604 35.739 -6.883 1.00 0.00 H new ATOM 0 HB2 SER A 6 -27.047 36.937 -5.402 1.00 0.00 H new ATOM 0 HB3 SER A 6 -28.476 36.554 -6.341 1.00 0.00 H new ATOM 0 HG SER A 6 -28.295 35.236 -4.440 1.00 0.00 H new ATOM 59 N GLY A 7 -26.134 33.583 -7.951 1.00 0.00 N ATOM 60 CA GLY A 7 -26.440 32.289 -8.531 1.00 0.00 C ATOM 61 C GLY A 7 -26.853 31.269 -7.489 1.00 0.00 C ATOM 62 O GLY A 7 -27.063 31.610 -6.324 1.00 0.00 O ATOM 0 H GLY A 7 -25.166 33.700 -7.651 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -27.241 32.402 -9.261 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -25.567 31.920 -9.070 1.00 0.00 H new ATOM 66 N LEU A 8 -26.972 30.014 -7.906 1.00 0.00 N ATOM 67 CA LEU A 8 -27.364 28.940 -7.000 1.00 0.00 C ATOM 68 C LEU A 8 -26.138 28.250 -6.410 1.00 0.00 C ATOM 69 O LEU A 8 -25.335 27.661 -7.134 1.00 0.00 O ATOM 70 CB LEU A 8 -28.234 27.918 -7.735 1.00 0.00 C ATOM 71 CG LEU A 8 -29.160 27.072 -6.861 1.00 0.00 C ATOM 72 CD1 LEU A 8 -28.352 26.233 -5.883 1.00 0.00 C ATOM 73 CD2 LEU A 8 -30.147 27.959 -6.115 1.00 0.00 C ATOM 0 H LEU A 8 -26.803 29.714 -8.866 1.00 0.00 H new ATOM 0 HA LEU A 8 -27.939 29.378 -6.184 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -28.843 28.449 -8.467 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -27.580 27.247 -8.291 1.00 0.00 H new ATOM 0 HG LEU A 8 -29.723 26.399 -7.508 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -29.028 25.638 -5.269 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -27.686 25.571 -6.436 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -27.762 26.888 -5.242 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -30.798 27.340 -5.498 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -29.601 28.657 -5.480 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -30.749 28.516 -6.832 1.00 0.00 H new ATOM 85 N LYS A 9 -26.001 28.326 -5.091 1.00 0.00 N ATOM 86 CA LYS A 9 -24.876 27.706 -4.401 1.00 0.00 C ATOM 87 C LYS A 9 -25.042 26.191 -4.340 1.00 0.00 C ATOM 88 O LYS A 9 -26.025 25.687 -3.798 1.00 0.00 O ATOM 89 CB LYS A 9 -24.744 28.273 -2.986 1.00 0.00 C ATOM 90 CG LYS A 9 -23.855 29.502 -2.903 1.00 0.00 C ATOM 91 CD LYS A 9 -24.517 30.713 -3.538 1.00 0.00 C ATOM 92 CE LYS A 9 -25.424 31.434 -2.553 1.00 0.00 C ATOM 93 NZ LYS A 9 -26.238 32.489 -3.217 1.00 0.00 N ATOM 0 H LYS A 9 -26.656 28.811 -4.478 1.00 0.00 H new ATOM 0 HA LYS A 9 -23.969 27.931 -4.962 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -25.736 28.526 -2.611 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -24.343 27.500 -2.330 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -23.626 29.717 -1.859 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -22.907 29.301 -3.402 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -23.751 31.400 -3.899 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -25.097 30.398 -4.405 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -26.086 30.713 -2.074 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -24.820 31.884 -1.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -27.103 32.659 -2.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -25.686 33.368 -3.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -26.495 32.178 -4.176 1.00 0.00 H new ATOM 107 N ARG A 10 -24.074 25.471 -4.898 1.00 0.00 N ATOM 108 CA ARG A 10 -24.113 24.014 -4.906 1.00 0.00 C ATOM 109 C ARG A 10 -22.705 23.432 -4.980 1.00 0.00 C ATOM 110 O ARG A 10 -21.912 23.807 -5.845 1.00 0.00 O ATOM 111 CB ARG A 10 -24.946 23.512 -6.087 1.00 0.00 C ATOM 112 CG ARG A 10 -24.262 23.686 -7.433 1.00 0.00 C ATOM 113 CD ARG A 10 -23.403 22.481 -7.782 1.00 0.00 C ATOM 114 NE ARG A 10 -24.165 21.451 -8.484 1.00 0.00 N ATOM 115 CZ ARG A 10 -24.695 21.623 -9.690 1.00 0.00 C ATOM 116 NH1 ARG A 10 -24.547 22.778 -10.324 1.00 0.00 N ATOM 117 NH2 ARG A 10 -25.374 20.639 -10.264 1.00 0.00 N ATOM 0 H ARG A 10 -23.253 25.873 -5.350 1.00 0.00 H new ATOM 0 HA ARG A 10 -24.576 23.683 -3.976 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -25.173 22.456 -5.938 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -25.898 24.043 -6.101 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -25.014 23.835 -8.208 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -23.642 24.583 -7.414 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -22.566 22.800 -8.404 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -22.980 22.061 -6.870 1.00 0.00 H new ATOM 0 HE ARG A 10 -24.297 20.551 -8.023 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -24.025 23.537 -9.886 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -24.955 22.907 -11.250 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -25.490 19.749 -9.779 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -25.780 20.772 -11.190 1.00 0.00 H new ATOM 131 N ASP A 11 -22.400 22.516 -4.067 1.00 0.00 N ATOM 132 CA ASP A 11 -21.087 21.882 -4.029 1.00 0.00 C ATOM 133 C ASP A 11 -21.051 20.652 -4.931 1.00 0.00 C ATOM 134 O ASP A 11 -22.048 19.943 -5.071 1.00 0.00 O ATOM 135 CB ASP A 11 -20.729 21.489 -2.595 1.00 0.00 C ATOM 136 CG ASP A 11 -20.205 22.660 -1.787 1.00 0.00 C ATOM 137 OD1 ASP A 11 -19.425 23.463 -2.343 1.00 0.00 O ATOM 138 OD2 ASP A 11 -20.575 22.775 -0.601 1.00 0.00 O ATOM 0 H ASP A 11 -23.044 22.196 -3.344 1.00 0.00 H new ATOM 0 HA ASP A 11 -20.353 22.600 -4.395 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -21.611 21.078 -2.103 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -19.978 20.700 -2.615 1.00 0.00 H new ATOM 143 N PHE A 12 -19.897 20.406 -5.540 1.00 0.00 N ATOM 144 CA PHE A 12 -19.731 19.263 -6.431 1.00 0.00 C ATOM 145 C PHE A 12 -20.445 18.033 -5.876 1.00 0.00 C ATOM 146 O PHE A 12 -20.028 17.464 -4.866 1.00 0.00 O ATOM 147 CB PHE A 12 -18.246 18.957 -6.632 1.00 0.00 C ATOM 148 CG PHE A 12 -17.478 18.842 -5.346 1.00 0.00 C ATOM 149 CD1 PHE A 12 -16.988 19.972 -4.712 1.00 0.00 C ATOM 150 CD2 PHE A 12 -17.246 17.602 -4.770 1.00 0.00 C ATOM 151 CE1 PHE A 12 -16.282 19.870 -3.529 1.00 0.00 C ATOM 152 CE2 PHE A 12 -16.541 17.494 -3.587 1.00 0.00 C ATOM 153 CZ PHE A 12 -16.057 18.629 -2.966 1.00 0.00 C ATOM 0 H PHE A 12 -19.062 20.982 -5.433 1.00 0.00 H new ATOM 0 HA PHE A 12 -20.176 19.517 -7.393 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -18.147 18.025 -7.189 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -17.801 19.742 -7.243 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -17.160 20.945 -5.148 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -17.621 16.711 -5.252 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -15.906 20.759 -3.045 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -16.368 16.523 -3.148 1.00 0.00 H new ATOM 0 HZ PHE A 12 -15.504 18.546 -2.042 1.00 0.00 H new ATOM 163 N ILE A 13 -21.522 17.631 -6.542 1.00 0.00 N ATOM 164 CA ILE A 13 -22.293 16.469 -6.116 1.00 0.00 C ATOM 165 C ILE A 13 -21.774 15.194 -6.773 1.00 0.00 C ATOM 166 O ILE A 13 -21.407 15.195 -7.948 1.00 0.00 O ATOM 167 CB ILE A 13 -23.788 16.633 -6.448 1.00 0.00 C ATOM 168 CG1 ILE A 13 -24.350 17.881 -5.765 1.00 0.00 C ATOM 169 CG2 ILE A 13 -24.563 15.395 -6.025 1.00 0.00 C ATOM 170 CD1 ILE A 13 -25.699 18.308 -6.301 1.00 0.00 C ATOM 0 H ILE A 13 -21.881 18.092 -7.378 1.00 0.00 H new ATOM 0 HA ILE A 13 -22.176 16.391 -5.035 1.00 0.00 H new ATOM 0 HB ILE A 13 -23.895 16.753 -7.526 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -24.437 17.692 -4.695 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -23.643 18.702 -5.887 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -25.618 15.526 -6.266 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -24.175 14.525 -6.554 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -24.452 15.246 -4.951 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -26.036 19.199 -5.771 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -25.614 18.529 -7.365 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -26.420 17.504 -6.154 1.00 0.00 H new ATOM 182 N ILE A 14 -21.750 14.109 -6.007 1.00 0.00 N ATOM 183 CA ILE A 14 -21.279 12.826 -6.516 1.00 0.00 C ATOM 184 C ILE A 14 -22.391 12.086 -7.252 1.00 0.00 C ATOM 185 O ILE A 14 -23.287 11.512 -6.631 1.00 0.00 O ATOM 186 CB ILE A 14 -20.746 11.932 -5.381 1.00 0.00 C ATOM 187 CG1 ILE A 14 -19.589 12.624 -4.658 1.00 0.00 C ATOM 188 CG2 ILE A 14 -20.304 10.585 -5.932 1.00 0.00 C ATOM 189 CD1 ILE A 14 -19.247 11.996 -3.325 1.00 0.00 C ATOM 0 H ILE A 14 -22.051 14.092 -5.032 1.00 0.00 H new ATOM 0 HA ILE A 14 -20.467 13.040 -7.210 1.00 0.00 H new ATOM 0 HB ILE A 14 -21.549 11.763 -4.663 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -18.707 12.602 -5.298 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -19.844 13.672 -4.502 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -19.930 9.964 -5.118 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -21.152 10.090 -6.406 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -19.513 10.734 -6.667 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -18.418 12.538 -2.869 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -20.115 12.042 -2.668 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -18.961 10.955 -3.476 1.00 0.00 H new ATOM 201 N LEU A 15 -22.326 12.101 -8.578 1.00 0.00 N ATOM 202 CA LEU A 15 -23.326 11.429 -9.401 1.00 0.00 C ATOM 203 C LEU A 15 -22.672 10.718 -10.581 1.00 0.00 C ATOM 204 O LEU A 15 -21.803 11.276 -11.251 1.00 0.00 O ATOM 205 CB LEU A 15 -24.360 12.437 -9.907 1.00 0.00 C ATOM 206 CG LEU A 15 -23.918 13.323 -11.072 1.00 0.00 C ATOM 207 CD1 LEU A 15 -25.122 13.983 -11.726 1.00 0.00 C ATOM 208 CD2 LEU A 15 -22.925 14.373 -10.596 1.00 0.00 C ATOM 0 H LEU A 15 -21.591 12.571 -9.107 1.00 0.00 H new ATOM 0 HA LEU A 15 -23.827 10.683 -8.784 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -25.253 11.890 -10.211 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -24.648 13.081 -9.076 1.00 0.00 H new ATOM 0 HG LEU A 15 -23.425 12.696 -11.815 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -24.789 14.610 -12.553 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -25.798 13.215 -12.102 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -25.643 14.598 -10.992 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -22.621 14.995 -11.438 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -23.392 14.997 -9.834 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -22.049 13.880 -10.174 1.00 0.00 H new ATOM 220 N GLY A 16 -23.097 9.484 -10.832 1.00 0.00 N ATOM 221 CA GLY A 16 -22.544 8.718 -11.934 1.00 0.00 C ATOM 222 C GLY A 16 -21.589 7.637 -11.466 1.00 0.00 C ATOM 223 O GLY A 16 -20.419 7.626 -11.847 1.00 0.00 O ATOM 0 H GLY A 16 -23.815 9.001 -10.292 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -23.357 8.261 -12.499 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -22.022 9.391 -12.614 1.00 0.00 H new ATOM 227 N ASN A 17 -22.088 6.727 -10.637 1.00 0.00 N ATOM 228 CA ASN A 17 -21.270 5.638 -10.114 1.00 0.00 C ATOM 229 C ASN A 17 -21.962 4.293 -10.316 1.00 0.00 C ATOM 230 O ASN A 17 -23.113 4.110 -9.924 1.00 0.00 O ATOM 231 CB ASN A 17 -20.981 5.857 -8.628 1.00 0.00 C ATOM 232 CG ASN A 17 -19.781 5.062 -8.149 1.00 0.00 C ATOM 233 OD1 ASN A 17 -18.806 4.888 -8.880 1.00 0.00 O ATOM 234 ND2 ASN A 17 -19.849 4.575 -6.916 1.00 0.00 N ATOM 0 H ASN A 17 -23.055 6.721 -10.312 1.00 0.00 H new ATOM 0 HA ASN A 17 -20.328 5.629 -10.663 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -20.806 6.918 -8.447 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -21.857 5.574 -8.045 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -19.073 4.031 -6.539 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -20.678 4.744 -6.346 1.00 0.00 H new ATOM 241 N GLY A 18 -21.249 3.354 -10.930 1.00 0.00 N ATOM 242 CA GLY A 18 -21.810 2.037 -11.173 1.00 0.00 C ATOM 243 C GLY A 18 -21.720 1.136 -9.958 1.00 0.00 C ATOM 244 O GLY A 18 -20.637 0.863 -9.439 1.00 0.00 O ATOM 0 H GLY A 18 -20.293 3.481 -11.263 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -22.854 2.139 -11.469 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -21.286 1.570 -12.007 1.00 0.00 H new ATOM 248 N PRO A 19 -22.880 0.658 -9.484 1.00 0.00 N ATOM 249 CA PRO A 19 -22.955 -0.225 -8.316 1.00 0.00 C ATOM 250 C PRO A 19 -22.386 -1.611 -8.599 1.00 0.00 C ATOM 251 O PRO A 19 -21.823 -1.855 -9.666 1.00 0.00 O ATOM 252 CB PRO A 19 -24.456 -0.310 -8.031 1.00 0.00 C ATOM 253 CG PRO A 19 -25.107 -0.033 -9.342 1.00 0.00 C ATOM 254 CD PRO A 19 -24.209 0.941 -10.053 1.00 0.00 C ATOM 0 HA PRO A 19 -22.370 0.156 -7.479 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -24.732 -1.294 -7.652 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -24.758 0.418 -7.278 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -25.225 -0.949 -9.921 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -26.104 0.386 -9.202 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -24.225 0.788 -11.132 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -24.512 1.972 -9.873 1.00 0.00 H new ATOM 262 N ARG A 20 -22.538 -2.516 -7.637 1.00 0.00 N ATOM 263 CA ARG A 20 -22.039 -3.878 -7.784 1.00 0.00 C ATOM 264 C ARG A 20 -20.515 -3.907 -7.724 1.00 0.00 C ATOM 265 O ARG A 20 -19.857 -4.416 -8.633 1.00 0.00 O ATOM 266 CB ARG A 20 -22.520 -4.480 -9.105 1.00 0.00 C ATOM 267 CG ARG A 20 -22.860 -5.959 -9.012 1.00 0.00 C ATOM 268 CD ARG A 20 -21.661 -6.829 -9.357 1.00 0.00 C ATOM 269 NE ARG A 20 -21.759 -8.158 -8.759 1.00 0.00 N ATOM 270 CZ ARG A 20 -22.435 -9.162 -9.306 1.00 0.00 C ATOM 271 NH1 ARG A 20 -23.069 -8.988 -10.458 1.00 0.00 N ATOM 272 NH2 ARG A 20 -22.478 -10.342 -8.702 1.00 0.00 N ATOM 0 H ARG A 20 -23.002 -2.330 -6.748 1.00 0.00 H new ATOM 0 HA ARG A 20 -22.429 -4.473 -6.958 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -23.400 -3.934 -9.444 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -21.747 -4.340 -9.861 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -23.202 -6.192 -8.004 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -23.683 -6.187 -9.689 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -21.581 -6.924 -10.440 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -20.749 -6.342 -9.012 1.00 0.00 H new ATOM 0 HE ARG A 20 -21.282 -8.324 -7.873 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -23.038 -8.082 -10.925 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -23.588 -9.760 -10.876 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -21.992 -10.479 -7.816 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -22.998 -11.112 -9.123 1.00 0.00 H new ATOM 286 N LEU A 21 -19.959 -3.359 -6.650 1.00 0.00 N ATOM 287 CA LEU A 21 -18.512 -3.322 -6.471 1.00 0.00 C ATOM 288 C LEU A 21 -18.124 -3.777 -5.068 1.00 0.00 C ATOM 289 O LEU A 21 -17.804 -2.958 -4.207 1.00 0.00 O ATOM 290 CB LEU A 21 -17.982 -1.909 -6.726 1.00 0.00 C ATOM 291 CG LEU A 21 -18.740 -0.774 -6.035 1.00 0.00 C ATOM 292 CD1 LEU A 21 -17.847 0.448 -5.883 1.00 0.00 C ATOM 293 CD2 LEU A 21 -19.999 -0.423 -6.813 1.00 0.00 C ATOM 0 H LEU A 21 -20.489 -2.934 -5.889 1.00 0.00 H new ATOM 0 HA LEU A 21 -18.065 -4.007 -7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -16.940 -1.870 -6.408 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -17.994 -1.726 -7.800 1.00 0.00 H new ATOM 0 HG LEU A 21 -19.034 -1.111 -5.041 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -18.403 1.245 -5.390 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -16.975 0.189 -5.283 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -17.523 0.787 -6.867 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -20.526 0.386 -6.307 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -19.728 -0.106 -7.820 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -20.647 -1.298 -6.870 1.00 0.00 H new ATOM 305 N GLN A 22 -18.154 -5.087 -4.847 1.00 0.00 N ATOM 306 CA GLN A 22 -17.804 -5.650 -3.548 1.00 0.00 C ATOM 307 C GLN A 22 -16.291 -5.727 -3.378 1.00 0.00 C ATOM 308 O GLN A 22 -15.590 -6.292 -4.217 1.00 0.00 O ATOM 309 CB GLN A 22 -18.419 -7.042 -3.390 1.00 0.00 C ATOM 310 CG GLN A 22 -19.892 -7.018 -3.016 1.00 0.00 C ATOM 311 CD GLN A 22 -20.792 -6.753 -4.207 1.00 0.00 C ATOM 312 OE1 GLN A 22 -21.201 -7.679 -4.909 1.00 0.00 O ATOM 313 NE2 GLN A 22 -21.106 -5.485 -4.442 1.00 0.00 N ATOM 0 H GLN A 22 -18.417 -5.778 -5.550 1.00 0.00 H new ATOM 0 HA GLN A 22 -18.205 -4.994 -2.775 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -18.299 -7.591 -4.324 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -17.868 -7.589 -2.625 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -20.164 -7.972 -2.565 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -20.059 -6.250 -2.261 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -20.745 -4.749 -3.835 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -21.708 -5.246 -5.230 1.00 0.00 H new ATOM 322 N ASN A 23 -15.793 -5.156 -2.286 1.00 0.00 N ATOM 323 CA ASN A 23 -14.362 -5.159 -2.006 1.00 0.00 C ATOM 324 C ASN A 23 -14.093 -5.535 -0.552 1.00 0.00 C ATOM 325 O ASN A 23 -13.907 -4.666 0.300 1.00 0.00 O ATOM 326 CB ASN A 23 -13.758 -3.787 -2.310 1.00 0.00 C ATOM 327 CG ASN A 23 -12.260 -3.850 -2.533 1.00 0.00 C ATOM 328 OD1 ASN A 23 -11.789 -4.470 -3.487 1.00 0.00 O ATOM 329 ND2 ASN A 23 -11.502 -3.208 -1.651 1.00 0.00 N ATOM 0 H ASN A 23 -16.360 -4.685 -1.580 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.893 -5.905 -2.648 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -14.237 -3.371 -3.196 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.971 -3.108 -1.484 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.487 -3.216 -1.749 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.935 -2.707 -0.875 1.00 0.00 H new ATOM 336 N SER A 24 -14.072 -6.835 -0.277 1.00 0.00 N ATOM 337 CA SER A 24 -13.829 -7.327 1.074 1.00 0.00 C ATOM 338 C SER A 24 -12.332 -7.412 1.360 1.00 0.00 C ATOM 339 O SER A 24 -11.872 -7.039 2.440 1.00 0.00 O ATOM 340 CB SER A 24 -14.474 -8.700 1.264 1.00 0.00 C ATOM 341 OG SER A 24 -15.864 -8.653 0.991 1.00 0.00 O ATOM 0 H SER A 24 -14.220 -7.567 -0.972 1.00 0.00 H new ATOM 0 HA SER A 24 -14.277 -6.623 1.776 1.00 0.00 H new ATOM 0 HB2 SER A 24 -13.995 -9.424 0.605 1.00 0.00 H new ATOM 0 HB3 SER A 24 -14.312 -9.043 2.286 1.00 0.00 H new ATOM 0 HG SER A 24 -16.253 -9.544 1.118 1.00 0.00 H new ATOM 347 N THR A 25 -11.577 -7.905 0.384 1.00 0.00 N ATOM 348 CA THR A 25 -10.133 -8.041 0.529 1.00 0.00 C ATOM 349 C THR A 25 -9.545 -6.867 1.303 1.00 0.00 C ATOM 350 O THR A 25 -10.011 -5.734 1.179 1.00 0.00 O ATOM 351 CB THR A 25 -9.437 -8.138 -0.841 1.00 0.00 C ATOM 352 OG1 THR A 25 -9.935 -7.120 -1.717 1.00 0.00 O ATOM 353 CG2 THR A 25 -9.662 -9.507 -1.467 1.00 0.00 C ATOM 0 H THR A 25 -11.942 -8.217 -0.516 1.00 0.00 H new ATOM 0 HA THR A 25 -9.957 -8.963 1.083 1.00 0.00 H new ATOM 0 HB THR A 25 -8.367 -7.996 -0.691 1.00 0.00 H new ATOM 0 HG1 THR A 25 -9.486 -7.187 -2.586 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.161 -9.552 -2.434 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.256 -10.278 -0.812 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.731 -9.673 -1.604 1.00 0.00 H new ATOM 361 N TYR A 26 -8.520 -7.143 2.101 1.00 0.00 N ATOM 362 CA TYR A 26 -7.870 -6.109 2.897 1.00 0.00 C ATOM 363 C TYR A 26 -6.728 -5.462 2.120 1.00 0.00 C ATOM 364 O TYR A 26 -5.978 -6.140 1.418 1.00 0.00 O ATOM 365 CB TYR A 26 -7.341 -6.699 4.205 1.00 0.00 C ATOM 366 CG TYR A 26 -8.429 -7.048 5.195 1.00 0.00 C ATOM 367 CD1 TYR A 26 -9.521 -7.818 4.815 1.00 0.00 C ATOM 368 CD2 TYR A 26 -8.366 -6.606 6.511 1.00 0.00 C ATOM 369 CE1 TYR A 26 -10.518 -8.139 5.716 1.00 0.00 C ATOM 370 CE2 TYR A 26 -9.358 -6.923 7.419 1.00 0.00 C ATOM 371 CZ TYR A 26 -10.432 -7.689 7.017 1.00 0.00 C ATOM 372 OH TYR A 26 -11.422 -8.006 7.918 1.00 0.00 O ATOM 0 H TYR A 26 -8.121 -8.075 2.214 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.611 -5.343 3.126 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.763 -7.596 3.982 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.657 -5.986 4.665 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.592 -8.172 3.797 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.527 -6.005 6.829 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.360 -8.739 5.403 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.293 -6.573 8.439 1.00 0.00 H new ATOM 0 HH TYR A 26 -11.017 -8.257 8.774 1.00 0.00 H new ATOM 382 N GLN A 27 -6.602 -4.145 2.252 1.00 0.00 N ATOM 383 CA GLN A 27 -5.552 -3.405 1.562 1.00 0.00 C ATOM 384 C GLN A 27 -4.465 -2.967 2.538 1.00 0.00 C ATOM 385 O GLN A 27 -4.649 -2.021 3.305 1.00 0.00 O ATOM 386 CB GLN A 27 -6.140 -2.184 0.853 1.00 0.00 C ATOM 387 CG GLN A 27 -6.564 -2.459 -0.581 1.00 0.00 C ATOM 388 CD GLN A 27 -5.477 -2.126 -1.584 1.00 0.00 C ATOM 389 OE1 GLN A 27 -5.672 -1.300 -2.477 1.00 0.00 O ATOM 390 NE2 GLN A 27 -4.323 -2.767 -1.443 1.00 0.00 N ATOM 0 H GLN A 27 -7.214 -3.569 2.830 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.104 -4.066 0.820 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.003 -1.828 1.416 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.403 -1.381 0.858 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.836 -3.510 -0.681 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.456 -1.876 -0.810 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.204 -3.444 -0.689 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.555 -2.583 -2.089 1.00 0.00 H new ATOM 399 N CYS A 28 -3.332 -3.660 2.504 1.00 0.00 N ATOM 400 CA CYS A 28 -2.214 -3.343 3.385 1.00 0.00 C ATOM 401 C CYS A 28 -1.730 -1.914 3.158 1.00 0.00 C ATOM 402 O CYS A 28 -1.376 -1.536 2.041 1.00 0.00 O ATOM 403 CB CYS A 28 -1.064 -4.325 3.157 1.00 0.00 C ATOM 404 SG CYS A 28 0.242 -4.249 4.426 1.00 0.00 S ATOM 0 H CYS A 28 -3.164 -4.445 1.875 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.559 -3.431 4.415 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.466 -5.338 3.125 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.620 -4.127 2.181 1.00 0.00 H new ATOM 409 N LYS A 29 -1.718 -1.123 4.225 1.00 0.00 N ATOM 410 CA LYS A 29 -1.276 0.265 4.145 1.00 0.00 C ATOM 411 C LYS A 29 0.234 0.367 4.332 1.00 0.00 C ATOM 412 O LYS A 29 0.734 1.327 4.919 1.00 0.00 O ATOM 413 CB LYS A 29 -1.990 1.110 5.202 1.00 0.00 C ATOM 414 CG LYS A 29 -1.752 0.635 6.625 1.00 0.00 C ATOM 415 CD LYS A 29 -0.562 1.337 7.256 1.00 0.00 C ATOM 416 CE LYS A 29 -0.697 1.412 8.769 1.00 0.00 C ATOM 417 NZ LYS A 29 -0.686 0.060 9.394 1.00 0.00 N ATOM 0 H LYS A 29 -2.009 -1.419 5.157 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.528 0.644 3.154 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.658 2.144 5.113 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.061 1.101 4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.644 0.819 7.225 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.583 -0.442 6.627 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.354 0.806 6.997 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.473 2.344 6.847 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.119 2.008 9.177 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.625 1.924 9.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.763 0.154 10.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.490 -0.494 9.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.203 -0.425 9.156 1.00 0.00 H new ATOM 431 N HIS A 30 0.957 -0.629 3.829 1.00 0.00 N ATOM 432 CA HIS A 30 2.412 -0.650 3.939 1.00 0.00 C ATOM 433 C HIS A 30 3.053 -0.983 2.596 1.00 0.00 C ATOM 434 O HIS A 30 4.057 -0.383 2.210 1.00 0.00 O ATOM 435 CB HIS A 30 2.850 -1.667 4.993 1.00 0.00 C ATOM 436 CG HIS A 30 2.835 -1.126 6.390 1.00 0.00 C ATOM 437 ND1 HIS A 30 3.299 0.131 6.715 1.00 0.00 N ATOM 438 CD2 HIS A 30 2.406 -1.679 7.549 1.00 0.00 C ATOM 439 CE1 HIS A 30 3.159 0.327 8.014 1.00 0.00 C ATOM 440 NE2 HIS A 30 2.618 -0.756 8.543 1.00 0.00 N ATOM 0 H HIS A 30 0.559 -1.432 3.341 1.00 0.00 H new ATOM 0 HA HIS A 30 2.743 0.343 4.244 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.194 -2.536 4.942 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.856 -2.012 4.757 1.00 0.00 H new ATOM 0 HD2 HIS A 30 1.977 -2.663 7.669 1.00 0.00 H new ATOM 0 HE1 HIS A 30 3.439 1.221 8.552 1.00 0.00 H new ATOM 0 HE2 HIS A 30 2.394 -0.885 9.530 1.00 0.00 H new ATOM 448 N CYS A 31 2.468 -1.943 1.888 1.00 0.00 N ATOM 449 CA CYS A 31 2.983 -2.358 0.588 1.00 0.00 C ATOM 450 C CYS A 31 1.882 -2.326 -0.468 1.00 0.00 C ATOM 451 O CYS A 31 2.126 -2.608 -1.642 1.00 0.00 O ATOM 452 CB CYS A 31 3.580 -3.764 0.677 1.00 0.00 C ATOM 453 SG CYS A 31 2.392 -5.044 1.197 1.00 0.00 S ATOM 0 H CYS A 31 1.636 -2.449 2.193 1.00 0.00 H new ATOM 0 HA CYS A 31 3.765 -1.657 0.294 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.988 -4.036 -0.296 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.413 -3.750 1.380 1.00 0.00 H new ATOM 458 N ASP A 32 0.672 -1.982 -0.043 1.00 0.00 N ATOM 459 CA ASP A 32 -0.467 -1.913 -0.951 1.00 0.00 C ATOM 460 C ASP A 32 -0.798 -3.291 -1.514 1.00 0.00 C ATOM 461 O ASP A 32 -0.980 -3.453 -2.721 1.00 0.00 O ATOM 462 CB ASP A 32 -0.176 -0.938 -2.094 1.00 0.00 C ATOM 463 CG ASP A 32 -0.637 0.472 -1.783 1.00 0.00 C ATOM 464 OD1 ASP A 32 -0.772 0.802 -0.586 1.00 0.00 O ATOM 465 OD2 ASP A 32 -0.863 1.247 -2.736 1.00 0.00 O ATOM 0 H ASP A 32 0.454 -1.746 0.925 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.328 -1.555 -0.387 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.895 -0.931 -2.298 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.670 -1.287 -3.000 1.00 0.00 H new ATOM 470 N SER A 33 -0.873 -4.283 -0.632 1.00 0.00 N ATOM 471 CA SER A 33 -1.178 -5.649 -1.041 1.00 0.00 C ATOM 472 C SER A 33 -2.658 -5.959 -0.841 1.00 0.00 C ATOM 473 O SER A 33 -3.445 -5.084 -0.480 1.00 0.00 O ATOM 474 CB SER A 33 -0.325 -6.643 -0.250 1.00 0.00 C ATOM 475 OG SER A 33 -0.449 -7.953 -0.776 1.00 0.00 O ATOM 0 H SER A 33 -0.727 -4.166 0.371 1.00 0.00 H new ATOM 0 HA SER A 33 -0.945 -5.745 -2.102 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.720 -6.334 -0.279 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.631 -6.637 0.796 1.00 0.00 H new ATOM 0 HG SER A 33 0.107 -8.569 -0.254 1.00 0.00 H new ATOM 481 N LYS A 34 -3.030 -7.212 -1.078 1.00 0.00 N ATOM 482 CA LYS A 34 -4.415 -7.642 -0.923 1.00 0.00 C ATOM 483 C LYS A 34 -4.493 -8.969 -0.175 1.00 0.00 C ATOM 484 O LYS A 34 -3.841 -9.944 -0.551 1.00 0.00 O ATOM 485 CB LYS A 34 -5.086 -7.775 -2.292 1.00 0.00 C ATOM 486 CG LYS A 34 -5.659 -6.471 -2.818 1.00 0.00 C ATOM 487 CD LYS A 34 -6.651 -6.712 -3.944 1.00 0.00 C ATOM 488 CE LYS A 34 -7.583 -5.524 -4.130 1.00 0.00 C ATOM 489 NZ LYS A 34 -6.887 -4.366 -4.755 1.00 0.00 N ATOM 0 H LYS A 34 -2.391 -7.948 -1.378 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.941 -6.886 -0.340 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.359 -8.157 -3.008 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.886 -8.513 -2.225 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.151 -5.935 -2.006 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.849 -5.834 -3.175 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.111 -6.901 -4.872 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.237 -7.605 -3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.428 -5.819 -4.752 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.988 -5.225 -3.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.556 -3.577 -4.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.096 -4.068 -4.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.522 -4.643 -5.689 1.00 0.00 H new ATOM 503 N LEU A 35 -5.294 -9.000 0.884 1.00 0.00 N ATOM 504 CA LEU A 35 -5.458 -10.209 1.684 1.00 0.00 C ATOM 505 C LEU A 35 -6.927 -10.613 1.764 1.00 0.00 C ATOM 506 O LEU A 35 -7.818 -9.771 1.659 1.00 0.00 O ATOM 507 CB LEU A 35 -4.899 -9.993 3.091 1.00 0.00 C ATOM 508 CG LEU A 35 -3.377 -10.059 3.226 1.00 0.00 C ATOM 509 CD1 LEU A 35 -2.714 -9.081 2.268 1.00 0.00 C ATOM 510 CD2 LEU A 35 -2.956 -9.772 4.660 1.00 0.00 C ATOM 0 H LEU A 35 -5.840 -8.202 1.209 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.905 -11.014 1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.233 -9.019 3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.335 -10.741 3.752 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.051 -11.067 2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.631 -9.142 2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.989 -9.332 1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.046 -8.068 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.870 -9.823 4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.294 -8.776 4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.402 -10.511 5.325 1.00 0.00 H new ATOM 522 N GLN A 36 -7.170 -11.906 1.954 1.00 0.00 N ATOM 523 CA GLN A 36 -8.531 -12.421 2.050 1.00 0.00 C ATOM 524 C GLN A 36 -9.273 -11.782 3.220 1.00 0.00 C ATOM 525 O GLN A 36 -10.330 -11.178 3.041 1.00 0.00 O ATOM 526 CB GLN A 36 -8.513 -13.942 2.212 1.00 0.00 C ATOM 527 CG GLN A 36 -9.789 -14.619 1.738 1.00 0.00 C ATOM 528 CD GLN A 36 -10.122 -14.293 0.295 1.00 0.00 C ATOM 529 OE1 GLN A 36 -10.657 -13.225 -0.005 1.00 0.00 O ATOM 530 NE2 GLN A 36 -9.805 -15.213 -0.608 1.00 0.00 N ATOM 0 H GLN A 36 -6.443 -12.616 2.044 1.00 0.00 H new ATOM 0 HA GLN A 36 -9.055 -12.167 1.128 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.668 -14.348 1.656 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.351 -14.185 3.262 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.685 -15.698 1.848 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -10.617 -14.312 2.376 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.363 -16.084 -0.315 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.004 -15.049 -1.595 1.00 0.00 H new ATOM 539 N SER A 37 -8.712 -11.921 4.417 1.00 0.00 N ATOM 540 CA SER A 37 -9.323 -11.362 5.617 1.00 0.00 C ATOM 541 C SER A 37 -8.263 -11.043 6.668 1.00 0.00 C ATOM 542 O SER A 37 -7.085 -11.355 6.493 1.00 0.00 O ATOM 543 CB SER A 37 -10.352 -12.336 6.193 1.00 0.00 C ATOM 544 OG SER A 37 -11.441 -12.512 5.303 1.00 0.00 O ATOM 0 H SER A 37 -7.835 -12.416 4.581 1.00 0.00 H new ATOM 0 HA SER A 37 -9.826 -10.436 5.341 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.878 -13.298 6.387 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.717 -11.961 7.149 1.00 0.00 H new ATOM 0 HG SER A 37 -12.084 -13.140 5.693 1.00 0.00 H new ATOM 550 N THR A 38 -8.692 -10.420 7.761 1.00 0.00 N ATOM 551 CA THR A 38 -7.782 -10.058 8.841 1.00 0.00 C ATOM 552 C THR A 38 -6.851 -11.214 9.186 1.00 0.00 C ATOM 553 O THR A 38 -5.635 -11.042 9.267 1.00 0.00 O ATOM 554 CB THR A 38 -8.552 -9.637 10.107 1.00 0.00 C ATOM 555 OG1 THR A 38 -9.397 -8.518 9.817 1.00 0.00 O ATOM 556 CG2 THR A 38 -7.591 -9.276 11.229 1.00 0.00 C ATOM 0 H THR A 38 -9.664 -10.156 7.922 1.00 0.00 H new ATOM 0 HA THR A 38 -7.191 -9.213 8.487 1.00 0.00 H new ATOM 0 HB THR A 38 -9.164 -10.479 10.431 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.130 -8.119 8.963 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.157 -8.982 12.113 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.969 -10.139 11.467 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.957 -8.448 10.912 1.00 0.00 H new ATOM 564 N ALA A 39 -7.429 -12.393 9.389 1.00 0.00 N ATOM 565 CA ALA A 39 -6.650 -13.579 9.724 1.00 0.00 C ATOM 566 C ALA A 39 -5.326 -13.597 8.968 1.00 0.00 C ATOM 567 O ALA A 39 -4.300 -14.009 9.507 1.00 0.00 O ATOM 568 CB ALA A 39 -7.450 -14.838 9.421 1.00 0.00 C ATOM 0 H ALA A 39 -8.435 -12.553 9.327 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.429 -13.550 10.791 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.857 -15.716 9.676 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.367 -14.837 10.010 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.700 -14.864 8.360 1.00 0.00 H new ATOM 574 N GLU A 40 -5.357 -13.147 7.717 1.00 0.00 N ATOM 575 CA GLU A 40 -4.158 -13.114 6.888 1.00 0.00 C ATOM 576 C GLU A 40 -3.315 -11.881 7.201 1.00 0.00 C ATOM 577 O GLU A 40 -2.085 -11.936 7.185 1.00 0.00 O ATOM 578 CB GLU A 40 -4.536 -13.125 5.406 1.00 0.00 C ATOM 579 CG GLU A 40 -4.814 -14.515 4.859 1.00 0.00 C ATOM 580 CD GLU A 40 -5.972 -15.197 5.561 1.00 0.00 C ATOM 581 OE1 GLU A 40 -5.741 -15.821 6.618 1.00 0.00 O ATOM 582 OE2 GLU A 40 -7.109 -15.107 5.053 1.00 0.00 O ATOM 0 H GLU A 40 -6.199 -12.801 7.256 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.567 -14.003 7.111 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.419 -12.503 5.260 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.729 -12.672 4.830 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.030 -14.445 3.793 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.919 -15.128 4.963 1.00 0.00 H new ATOM 589 N LEU A 41 -3.986 -10.769 7.483 1.00 0.00 N ATOM 590 CA LEU A 41 -3.299 -9.521 7.798 1.00 0.00 C ATOM 591 C LEU A 41 -2.516 -9.645 9.101 1.00 0.00 C ATOM 592 O LEU A 41 -1.402 -9.133 9.220 1.00 0.00 O ATOM 593 CB LEU A 41 -4.307 -8.375 7.903 1.00 0.00 C ATOM 594 CG LEU A 41 -3.739 -6.965 7.736 1.00 0.00 C ATOM 595 CD1 LEU A 41 -3.246 -6.752 6.313 1.00 0.00 C ATOM 596 CD2 LEU A 41 -4.785 -5.922 8.102 1.00 0.00 C ATOM 0 H LEU A 41 -5.004 -10.706 7.500 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.597 -9.307 6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.079 -8.526 7.148 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.796 -8.435 8.875 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.891 -6.854 8.412 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.846 -5.743 6.214 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.464 -7.477 6.087 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.075 -6.883 5.617 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.363 -4.925 7.977 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.653 -6.033 7.452 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.089 -6.060 9.140 1.00 0.00 H new ATOM 608 N THR A 42 -3.105 -10.329 10.077 1.00 0.00 N ATOM 609 CA THR A 42 -2.462 -10.522 11.371 1.00 0.00 C ATOM 610 C THR A 42 -1.080 -11.144 11.211 1.00 0.00 C ATOM 611 O THR A 42 -0.172 -10.874 11.998 1.00 0.00 O ATOM 612 CB THR A 42 -3.312 -11.416 12.293 1.00 0.00 C ATOM 613 OG1 THR A 42 -4.660 -10.935 12.336 1.00 0.00 O ATOM 614 CG2 THR A 42 -2.734 -11.447 13.700 1.00 0.00 C ATOM 0 H THR A 42 -4.027 -10.759 9.996 1.00 0.00 H new ATOM 0 HA THR A 42 -2.363 -9.536 11.825 1.00 0.00 H new ATOM 0 HB THR A 42 -3.301 -12.429 11.890 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.194 -11.510 12.923 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.351 -12.085 14.333 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.719 -11.842 13.668 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.718 -10.437 14.109 1.00 0.00 H new ATOM 622 N SER A 43 -0.926 -11.978 10.187 1.00 0.00 N ATOM 623 CA SER A 43 0.346 -12.641 9.926 1.00 0.00 C ATOM 624 C SER A 43 1.174 -11.851 8.917 1.00 0.00 C ATOM 625 O SER A 43 2.389 -11.716 9.063 1.00 0.00 O ATOM 626 CB SER A 43 0.108 -14.061 9.408 1.00 0.00 C ATOM 627 OG SER A 43 -0.407 -14.897 10.430 1.00 0.00 O ATOM 0 H SER A 43 -1.666 -12.210 9.525 1.00 0.00 H new ATOM 0 HA SER A 43 0.900 -12.692 10.863 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.589 -14.034 8.570 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.043 -14.476 9.031 1.00 0.00 H new ATOM 0 HG SER A 43 -0.552 -15.798 10.073 1.00 0.00 H new ATOM 633 N HIS A 44 0.506 -11.331 7.892 1.00 0.00 N ATOM 634 CA HIS A 44 1.179 -10.553 6.857 1.00 0.00 C ATOM 635 C HIS A 44 1.873 -9.335 7.458 1.00 0.00 C ATOM 636 O HIS A 44 3.027 -9.044 7.140 1.00 0.00 O ATOM 637 CB HIS A 44 0.177 -10.109 5.791 1.00 0.00 C ATOM 638 CG HIS A 44 0.765 -9.196 4.760 1.00 0.00 C ATOM 639 ND1 HIS A 44 1.462 -9.651 3.661 1.00 0.00 N ATOM 640 CD2 HIS A 44 0.756 -7.846 4.665 1.00 0.00 C ATOM 641 CE1 HIS A 44 1.857 -8.621 2.935 1.00 0.00 C ATOM 642 NE2 HIS A 44 1.441 -7.513 3.522 1.00 0.00 N ATOM 0 H HIS A 44 -0.500 -11.434 7.756 1.00 0.00 H new ATOM 0 HA HIS A 44 1.934 -11.188 6.393 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.228 -10.991 5.295 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.658 -9.605 6.277 1.00 0.00 H new ATOM 0 HD1 HIS A 44 1.644 -10.631 3.443 1.00 0.00 H new ATOM 0 HD2 HIS A 44 0.296 -7.158 5.359 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.424 -8.675 2.017 1.00 0.00 H new ATOM 650 N LEU A 45 1.163 -8.625 8.328 1.00 0.00 N ATOM 651 CA LEU A 45 1.711 -7.437 8.974 1.00 0.00 C ATOM 652 C LEU A 45 3.014 -7.761 9.697 1.00 0.00 C ATOM 653 O LEU A 45 3.994 -7.025 9.592 1.00 0.00 O ATOM 654 CB LEU A 45 0.698 -6.856 9.962 1.00 0.00 C ATOM 655 CG LEU A 45 -0.267 -5.812 9.399 1.00 0.00 C ATOM 656 CD1 LEU A 45 -1.263 -5.377 10.462 1.00 0.00 C ATOM 657 CD2 LEU A 45 0.500 -4.613 8.861 1.00 0.00 C ATOM 0 H LEU A 45 0.207 -8.851 8.602 1.00 0.00 H new ATOM 0 HA LEU A 45 1.920 -6.698 8.200 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.112 -7.677 10.376 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.246 -6.406 10.790 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.821 -6.263 8.576 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.941 -4.634 10.043 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.835 -6.241 10.800 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.728 -4.944 11.307 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.202 -3.880 8.464 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.080 -4.161 9.666 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.173 -4.938 8.067 1.00 0.00 H new ATOM 669 N ASN A 46 3.019 -8.871 10.428 1.00 0.00 N ATOM 670 CA ASN A 46 4.203 -9.295 11.167 1.00 0.00 C ATOM 671 C ASN A 46 5.454 -9.180 10.302 1.00 0.00 C ATOM 672 O ASN A 46 6.516 -8.781 10.778 1.00 0.00 O ATOM 673 CB ASN A 46 4.037 -10.735 11.655 1.00 0.00 C ATOM 674 CG ASN A 46 3.363 -10.812 13.012 1.00 0.00 C ATOM 675 OD1 ASN A 46 3.993 -10.582 14.044 1.00 0.00 O ATOM 676 ND2 ASN A 46 2.076 -11.136 13.016 1.00 0.00 N ATOM 0 H ASN A 46 2.217 -9.493 10.525 1.00 0.00 H new ATOM 0 HA ASN A 46 4.317 -8.638 12.029 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.450 -11.297 10.928 1.00 0.00 H new ATOM 0 HB3 ASN A 46 5.016 -11.212 11.711 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.570 -11.203 13.899 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.593 -11.318 12.136 1.00 0.00 H new ATOM 683 N ILE A 47 5.320 -9.533 9.028 1.00 0.00 N ATOM 684 CA ILE A 47 6.438 -9.469 8.095 1.00 0.00 C ATOM 685 C ILE A 47 7.097 -8.094 8.122 1.00 0.00 C ATOM 686 O ILE A 47 8.316 -7.975 7.992 1.00 0.00 O ATOM 687 CB ILE A 47 5.990 -9.784 6.656 1.00 0.00 C ATOM 688 CG1 ILE A 47 5.423 -11.203 6.574 1.00 0.00 C ATOM 689 CG2 ILE A 47 7.154 -9.616 5.690 1.00 0.00 C ATOM 690 CD1 ILE A 47 4.624 -11.462 5.316 1.00 0.00 C ATOM 0 H ILE A 47 4.448 -9.867 8.618 1.00 0.00 H new ATOM 0 HA ILE A 47 7.159 -10.222 8.414 1.00 0.00 H new ATOM 0 HB ILE A 47 5.205 -9.082 6.374 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.244 -11.918 6.627 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.788 -11.383 7.442 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.822 -9.842 4.677 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.516 -8.589 5.732 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.959 -10.296 5.968 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.253 -12.487 5.325 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.782 -10.771 5.271 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.261 -11.315 4.444 1.00 0.00 H new ATOM 702 N HIS A 48 6.283 -7.057 8.292 1.00 0.00 N ATOM 703 CA HIS A 48 6.787 -5.689 8.338 1.00 0.00 C ATOM 704 C HIS A 48 7.462 -5.403 9.676 1.00 0.00 C ATOM 705 O HIS A 48 8.593 -4.923 9.722 1.00 0.00 O ATOM 706 CB HIS A 48 5.648 -4.695 8.105 1.00 0.00 C ATOM 707 CG HIS A 48 5.104 -4.724 6.710 1.00 0.00 C ATOM 708 ND1 HIS A 48 5.901 -4.876 5.595 1.00 0.00 N ATOM 709 CD2 HIS A 48 3.835 -4.620 6.253 1.00 0.00 C ATOM 710 CE1 HIS A 48 5.145 -4.863 4.512 1.00 0.00 C ATOM 711 NE2 HIS A 48 3.887 -4.709 4.883 1.00 0.00 N ATOM 0 H HIS A 48 5.272 -7.138 8.400 1.00 0.00 H new ATOM 0 HA HIS A 48 7.527 -5.574 7.546 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.841 -4.909 8.805 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.004 -3.689 8.327 1.00 0.00 H new ATOM 0 HD1 HIS A 48 6.915 -4.982 5.605 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.947 -4.491 6.853 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.496 -4.962 3.495 1.00 0.00 H new ATOM 719 N ASN A 49 6.758 -5.701 10.764 1.00 0.00 N ATOM 720 CA ASN A 49 7.289 -5.475 12.103 1.00 0.00 C ATOM 721 C ASN A 49 8.635 -6.171 12.280 1.00 0.00 C ATOM 722 O ASN A 49 9.629 -5.539 12.636 1.00 0.00 O ATOM 723 CB ASN A 49 6.300 -5.978 13.158 1.00 0.00 C ATOM 724 CG ASN A 49 4.963 -5.267 13.082 1.00 0.00 C ATOM 725 OD1 ASN A 49 4.900 -4.037 13.074 1.00 0.00 O ATOM 726 ND2 ASN A 49 3.885 -6.040 13.026 1.00 0.00 N ATOM 0 H ASN A 49 5.819 -6.099 10.744 1.00 0.00 H new ATOM 0 HA ASN A 49 7.435 -4.403 12.232 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.147 -7.049 13.027 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.728 -5.836 14.150 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.958 -5.619 12.974 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.984 -7.055 13.035 1.00 0.00 H new ATOM 733 N GLU A 50 8.659 -7.476 12.027 1.00 0.00 N ATOM 734 CA GLU A 50 9.883 -8.257 12.158 1.00 0.00 C ATOM 735 C GLU A 50 11.056 -7.545 11.490 1.00 0.00 C ATOM 736 O GLU A 50 12.177 -7.564 11.999 1.00 0.00 O ATOM 737 CB GLU A 50 9.697 -9.645 11.543 1.00 0.00 C ATOM 738 CG GLU A 50 9.532 -9.625 10.032 1.00 0.00 C ATOM 739 CD GLU A 50 9.628 -11.007 9.416 1.00 0.00 C ATOM 740 OE1 GLU A 50 8.601 -11.717 9.391 1.00 0.00 O ATOM 741 OE2 GLU A 50 10.729 -11.378 8.958 1.00 0.00 O ATOM 0 H GLU A 50 7.845 -8.014 11.730 1.00 0.00 H new ATOM 0 HA GLU A 50 10.103 -8.365 13.220 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.557 -10.264 11.798 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.821 -10.116 11.989 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.566 -9.186 9.782 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.297 -8.983 9.595 1.00 0.00 H new ATOM 748 N GLU A 51 10.789 -6.920 10.348 1.00 0.00 N ATOM 749 CA GLU A 51 11.823 -6.204 9.610 1.00 0.00 C ATOM 750 C GLU A 51 12.288 -4.973 10.381 1.00 0.00 C ATOM 751 O GLU A 51 13.483 -4.684 10.450 1.00 0.00 O ATOM 752 CB GLU A 51 11.303 -5.790 8.231 1.00 0.00 C ATOM 753 CG GLU A 51 11.282 -6.926 7.222 1.00 0.00 C ATOM 754 CD GLU A 51 11.488 -6.445 5.799 1.00 0.00 C ATOM 755 OE1 GLU A 51 11.381 -5.223 5.565 1.00 0.00 O ATOM 756 OE2 GLU A 51 11.757 -7.290 4.920 1.00 0.00 O ATOM 0 H GLU A 51 9.866 -6.895 9.914 1.00 0.00 H new ATOM 0 HA GLU A 51 12.673 -6.874 9.483 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.294 -5.391 8.337 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.926 -4.983 7.844 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.060 -7.646 7.475 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.329 -7.450 7.290 1.00 0.00 H new ATOM 763 N PHE A 52 11.335 -4.249 10.960 1.00 0.00 N ATOM 764 CA PHE A 52 11.646 -3.048 11.725 1.00 0.00 C ATOM 765 C PHE A 52 12.755 -3.319 12.737 1.00 0.00 C ATOM 766 O PHE A 52 13.752 -2.599 12.787 1.00 0.00 O ATOM 767 CB PHE A 52 10.396 -2.539 12.446 1.00 0.00 C ATOM 768 CG PHE A 52 10.548 -1.153 13.005 1.00 0.00 C ATOM 769 CD1 PHE A 52 10.934 -0.102 12.189 1.00 0.00 C ATOM 770 CD2 PHE A 52 10.305 -0.902 14.345 1.00 0.00 C ATOM 771 CE1 PHE A 52 11.075 1.175 12.700 1.00 0.00 C ATOM 772 CE2 PHE A 52 10.443 0.373 14.862 1.00 0.00 C ATOM 773 CZ PHE A 52 10.830 1.412 14.038 1.00 0.00 C ATOM 0 H PHE A 52 10.341 -4.474 10.914 1.00 0.00 H new ATOM 0 HA PHE A 52 11.992 -2.284 11.029 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.556 -2.552 11.752 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.150 -3.224 13.257 1.00 0.00 H new ATOM 0 HD1 PHE A 52 11.127 -0.282 11.142 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.004 -1.711 14.994 1.00 0.00 H new ATOM 0 HE1 PHE A 52 11.376 1.986 12.053 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.249 0.556 15.908 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.941 2.408 14.440 1.00 0.00 H new ATOM 783 N GLN A 53 12.573 -4.362 13.541 1.00 0.00 N ATOM 784 CA GLN A 53 13.558 -4.727 14.552 1.00 0.00 C ATOM 785 C GLN A 53 14.879 -5.129 13.905 1.00 0.00 C ATOM 786 O GLN A 53 15.949 -4.698 14.334 1.00 0.00 O ATOM 787 CB GLN A 53 13.030 -5.873 15.417 1.00 0.00 C ATOM 788 CG GLN A 53 11.830 -5.491 16.269 1.00 0.00 C ATOM 789 CD GLN A 53 11.207 -6.682 16.968 1.00 0.00 C ATOM 790 OE1 GLN A 53 10.968 -7.722 16.353 1.00 0.00 O ATOM 791 NE2 GLN A 53 10.940 -6.537 18.260 1.00 0.00 N ATOM 0 H GLN A 53 11.753 -4.968 13.512 1.00 0.00 H new ATOM 0 HA GLN A 53 13.734 -3.856 15.183 1.00 0.00 H new ATOM 0 HB2 GLN A 53 12.756 -6.707 14.772 1.00 0.00 H new ATOM 0 HB3 GLN A 53 13.830 -6.224 16.068 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.137 -4.757 17.014 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.081 -5.011 15.640 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.155 -5.657 18.730 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.520 -7.305 18.783 1.00 0.00 H new ATOM 800 N LYS A 54 14.797 -5.959 12.870 1.00 0.00 N ATOM 801 CA LYS A 54 15.986 -6.419 12.162 1.00 0.00 C ATOM 802 C LYS A 54 16.800 -5.240 11.641 1.00 0.00 C ATOM 803 O LYS A 54 17.944 -5.036 12.046 1.00 0.00 O ATOM 804 CB LYS A 54 15.590 -7.333 11.000 1.00 0.00 C ATOM 805 CG LYS A 54 16.769 -8.038 10.352 1.00 0.00 C ATOM 806 CD LYS A 54 17.216 -9.240 11.167 1.00 0.00 C ATOM 807 CE LYS A 54 18.696 -9.530 10.967 1.00 0.00 C ATOM 808 NZ LYS A 54 18.935 -10.407 9.788 1.00 0.00 N ATOM 0 H LYS A 54 13.919 -6.327 12.503 1.00 0.00 H new ATOM 0 HA LYS A 54 16.602 -6.980 12.864 1.00 0.00 H new ATOM 0 HB2 LYS A 54 14.884 -8.081 11.361 1.00 0.00 H new ATOM 0 HB3 LYS A 54 15.071 -6.743 10.245 1.00 0.00 H new ATOM 0 HG2 LYS A 54 16.494 -8.360 9.348 1.00 0.00 H new ATOM 0 HG3 LYS A 54 17.599 -7.339 10.247 1.00 0.00 H new ATOM 0 HD2 LYS A 54 17.019 -9.058 12.224 1.00 0.00 H new ATOM 0 HD3 LYS A 54 16.631 -10.114 10.880 1.00 0.00 H new ATOM 0 HE2 LYS A 54 19.236 -8.592 10.837 1.00 0.00 H new ATOM 0 HE3 LYS A 54 19.097 -10.007 11.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 19.406 -11.282 10.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 18.026 -10.642 9.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 19.540 -9.911 9.103 1.00 0.00 H new ATOM 822 N ARG A 55 16.201 -4.465 10.743 1.00 0.00 N ATOM 823 CA ARG A 55 16.872 -3.305 10.167 1.00 0.00 C ATOM 824 C ARG A 55 17.790 -2.644 11.190 1.00 0.00 C ATOM 825 O ARG A 55 18.974 -2.430 10.931 1.00 0.00 O ATOM 826 CB ARG A 55 15.842 -2.293 9.661 1.00 0.00 C ATOM 827 CG ARG A 55 16.452 -0.974 9.215 1.00 0.00 C ATOM 828 CD ARG A 55 15.429 -0.098 8.508 1.00 0.00 C ATOM 829 NE ARG A 55 14.888 -0.744 7.315 1.00 0.00 N ATOM 830 CZ ARG A 55 15.473 -0.695 6.123 1.00 0.00 C ATOM 831 NH1 ARG A 55 16.612 -0.035 5.967 1.00 0.00 N ATOM 832 NH2 ARG A 55 14.918 -1.308 5.085 1.00 0.00 N ATOM 0 H ARG A 55 15.253 -4.619 10.399 1.00 0.00 H new ATOM 0 HA ARG A 55 17.478 -3.647 9.328 1.00 0.00 H new ATOM 0 HB2 ARG A 55 15.295 -2.731 8.826 1.00 0.00 H new ATOM 0 HB3 ARG A 55 15.117 -2.099 10.451 1.00 0.00 H new ATOM 0 HG2 ARG A 55 16.850 -0.445 10.081 1.00 0.00 H new ATOM 0 HG3 ARG A 55 17.291 -1.167 8.547 1.00 0.00 H new ATOM 0 HD2 ARG A 55 14.615 0.136 9.195 1.00 0.00 H new ATOM 0 HD3 ARG A 55 15.893 0.848 8.229 1.00 0.00 H new ATOM 0 HE ARG A 55 14.013 -1.261 7.402 1.00 0.00 H new ATOM 0 HH11 ARG A 55 17.041 0.437 6.763 1.00 0.00 H new ATOM 0 HH12 ARG A 55 17.059 0.001 5.051 1.00 0.00 H new ATOM 0 HH21 ARG A 55 14.042 -1.817 5.202 1.00 0.00 H new ATOM 0 HH22 ARG A 55 15.368 -1.270 4.170 1.00 0.00 H new ATOM 846 N ALA A 56 17.235 -2.321 12.354 1.00 0.00 N ATOM 847 CA ALA A 56 18.003 -1.685 13.417 1.00 0.00 C ATOM 848 C ALA A 56 18.882 -2.700 14.141 1.00 0.00 C ATOM 849 O ALA A 56 18.551 -3.153 15.237 1.00 0.00 O ATOM 850 CB ALA A 56 17.072 -0.994 14.401 1.00 0.00 C ATOM 0 H ALA A 56 16.256 -2.490 12.584 1.00 0.00 H new ATOM 0 HA ALA A 56 18.653 -0.937 12.964 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.660 -0.524 15.189 1.00 0.00 H new ATOM 0 HB2 ALA A 56 16.490 -0.234 13.879 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.397 -1.729 14.841 1.00 0.00 H new ATOM 856 N LYS A 57 20.003 -3.054 13.521 1.00 0.00 N ATOM 857 CA LYS A 57 20.930 -4.015 14.106 1.00 0.00 C ATOM 858 C LYS A 57 22.336 -3.825 13.545 1.00 0.00 C ATOM 859 O LYS A 57 22.507 -3.509 12.368 1.00 0.00 O ATOM 860 CB LYS A 57 20.452 -5.444 13.839 1.00 0.00 C ATOM 861 CG LYS A 57 20.560 -5.859 12.382 1.00 0.00 C ATOM 862 CD LYS A 57 21.902 -6.507 12.085 1.00 0.00 C ATOM 863 CE LYS A 57 21.976 -7.919 12.646 1.00 0.00 C ATOM 864 NZ LYS A 57 23.081 -8.704 12.029 1.00 0.00 N ATOM 0 H LYS A 57 20.291 -2.689 12.613 1.00 0.00 H new ATOM 0 HA LYS A 57 20.960 -3.844 15.182 1.00 0.00 H new ATOM 0 HB2 LYS A 57 21.036 -6.133 14.449 1.00 0.00 H new ATOM 0 HB3 LYS A 57 19.414 -5.537 14.159 1.00 0.00 H new ATOM 0 HG2 LYS A 57 19.757 -6.556 12.141 1.00 0.00 H new ATOM 0 HG3 LYS A 57 20.427 -4.986 11.743 1.00 0.00 H new ATOM 0 HD2 LYS A 57 22.064 -6.534 11.007 1.00 0.00 H new ATOM 0 HD3 LYS A 57 22.702 -5.902 12.512 1.00 0.00 H new ATOM 0 HE2 LYS A 57 22.121 -7.874 13.725 1.00 0.00 H new ATOM 0 HE3 LYS A 57 21.028 -8.429 12.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 23.087 -9.665 12.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 22.938 -8.755 11.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 23.990 -8.241 12.230 1.00 0.00 H new ATOM 878 N ARG A 58 23.339 -4.020 14.395 1.00 0.00 N ATOM 879 CA ARG A 58 24.729 -3.871 13.983 1.00 0.00 C ATOM 880 C ARG A 58 25.653 -4.689 14.881 1.00 0.00 C ATOM 881 O ARG A 58 25.252 -5.138 15.954 1.00 0.00 O ATOM 882 CB ARG A 58 25.139 -2.397 14.020 1.00 0.00 C ATOM 883 CG ARG A 58 26.129 -2.013 12.933 1.00 0.00 C ATOM 884 CD ARG A 58 25.426 -1.728 11.615 1.00 0.00 C ATOM 885 NE ARG A 58 25.101 -2.955 10.891 1.00 0.00 N ATOM 886 CZ ARG A 58 24.326 -2.988 9.813 1.00 0.00 C ATOM 887 NH1 ARG A 58 23.799 -1.869 9.336 1.00 0.00 N ATOM 888 NH2 ARG A 58 24.076 -4.144 9.210 1.00 0.00 N ATOM 0 H ARG A 58 23.215 -4.281 15.373 1.00 0.00 H new ATOM 0 HA ARG A 58 24.821 -4.242 12.962 1.00 0.00 H new ATOM 0 HB2 ARG A 58 24.247 -1.778 13.923 1.00 0.00 H new ATOM 0 HB3 ARG A 58 25.577 -2.175 14.993 1.00 0.00 H new ATOM 0 HG2 ARG A 58 26.690 -1.132 13.245 1.00 0.00 H new ATOM 0 HG3 ARG A 58 26.850 -2.818 12.795 1.00 0.00 H new ATOM 0 HD2 ARG A 58 24.511 -1.167 11.806 1.00 0.00 H new ATOM 0 HD3 ARG A 58 26.062 -1.098 10.993 1.00 0.00 H new ATOM 0 HE ARG A 58 25.491 -3.834 11.232 1.00 0.00 H new ATOM 0 HH11 ARG A 58 23.988 -0.979 9.797 1.00 0.00 H new ATOM 0 HH12 ARG A 58 23.204 -1.898 8.508 1.00 0.00 H new ATOM 0 HH21 ARG A 58 24.479 -5.007 9.575 1.00 0.00 H new ATOM 0 HH22 ARG A 58 23.481 -4.169 8.382 1.00 0.00 H new ATOM 902 N GLN A 59 26.890 -4.878 14.433 1.00 0.00 N ATOM 903 CA GLN A 59 27.870 -5.643 15.196 1.00 0.00 C ATOM 904 C GLN A 59 27.479 -7.115 15.262 1.00 0.00 C ATOM 905 O GLN A 59 27.506 -7.727 16.329 1.00 0.00 O ATOM 906 CB GLN A 59 28.003 -5.074 16.609 1.00 0.00 C ATOM 907 CG GLN A 59 28.259 -3.576 16.641 1.00 0.00 C ATOM 908 CD GLN A 59 29.612 -3.202 16.069 1.00 0.00 C ATOM 909 OE1 GLN A 59 29.722 -2.822 14.903 1.00 0.00 O ATOM 910 NE2 GLN A 59 30.651 -3.308 16.888 1.00 0.00 N ATOM 0 H GLN A 59 27.237 -4.512 13.546 1.00 0.00 H new ATOM 0 HA GLN A 59 28.831 -5.564 14.688 1.00 0.00 H new ATOM 0 HB2 GLN A 59 27.091 -5.290 17.166 1.00 0.00 H new ATOM 0 HB3 GLN A 59 28.818 -5.584 17.122 1.00 0.00 H new ATOM 0 HG2 GLN A 59 27.477 -3.066 16.078 1.00 0.00 H new ATOM 0 HG3 GLN A 59 28.194 -3.222 17.670 1.00 0.00 H new ATOM 0 HE21 GLN A 59 30.514 -3.627 17.847 1.00 0.00 H new ATOM 0 HE22 GLN A 59 31.587 -3.070 16.558 1.00 0.00 H new ATOM 919 N GLU A 60 27.114 -7.678 14.114 1.00 0.00 N ATOM 920 CA GLU A 60 26.716 -9.079 14.043 1.00 0.00 C ATOM 921 C GLU A 60 26.582 -9.534 12.592 1.00 0.00 C ATOM 922 O GLU A 60 25.616 -9.191 11.910 1.00 0.00 O ATOM 923 CB GLU A 60 25.394 -9.295 14.781 1.00 0.00 C ATOM 924 CG GLU A 60 25.113 -10.750 15.114 1.00 0.00 C ATOM 925 CD GLU A 60 23.801 -10.937 15.852 1.00 0.00 C ATOM 926 OE1 GLU A 60 22.737 -10.748 15.227 1.00 0.00 O ATOM 927 OE2 GLU A 60 23.839 -11.272 17.055 1.00 0.00 O ATOM 0 H GLU A 60 27.086 -7.186 13.221 1.00 0.00 H new ATOM 0 HA GLU A 60 27.492 -9.675 14.522 1.00 0.00 H new ATOM 0 HB2 GLU A 60 25.404 -8.715 15.704 1.00 0.00 H new ATOM 0 HB3 GLU A 60 24.579 -8.907 14.170 1.00 0.00 H new ATOM 0 HG2 GLU A 60 25.094 -11.332 14.193 1.00 0.00 H new ATOM 0 HG3 GLU A 60 25.927 -11.143 15.723 1.00 0.00 H new ATOM 934 N ARG A 61 27.558 -10.307 12.128 1.00 0.00 N ATOM 935 CA ARG A 61 27.550 -10.808 10.759 1.00 0.00 C ATOM 936 C ARG A 61 27.866 -12.300 10.724 1.00 0.00 C ATOM 937 O ARG A 61 29.007 -12.698 10.487 1.00 0.00 O ATOM 938 CB ARG A 61 28.564 -10.041 9.907 1.00 0.00 C ATOM 939 CG ARG A 61 29.953 -9.979 10.522 1.00 0.00 C ATOM 940 CD ARG A 61 31.029 -9.855 9.455 1.00 0.00 C ATOM 941 NE ARG A 61 31.329 -8.461 9.139 1.00 0.00 N ATOM 942 CZ ARG A 61 32.027 -7.660 9.937 1.00 0.00 C ATOM 943 NH1 ARG A 61 32.495 -8.114 11.092 1.00 0.00 N ATOM 944 NH2 ARG A 61 32.258 -6.404 9.581 1.00 0.00 N ATOM 0 H ARG A 61 28.364 -10.600 12.680 1.00 0.00 H new ATOM 0 HA ARG A 61 26.552 -10.656 10.349 1.00 0.00 H new ATOM 0 HB2 ARG A 61 28.631 -10.511 8.926 1.00 0.00 H new ATOM 0 HB3 ARG A 61 28.200 -9.026 9.750 1.00 0.00 H new ATOM 0 HG2 ARG A 61 30.014 -9.129 11.202 1.00 0.00 H new ATOM 0 HG3 ARG A 61 30.130 -10.876 11.116 1.00 0.00 H new ATOM 0 HD2 ARG A 61 31.937 -10.353 9.796 1.00 0.00 H new ATOM 0 HD3 ARG A 61 30.704 -10.370 8.551 1.00 0.00 H new ATOM 0 HE ARG A 61 30.984 -8.082 8.257 1.00 0.00 H new ATOM 0 HH11 ARG A 61 32.319 -9.080 11.369 1.00 0.00 H new ATOM 0 HH12 ARG A 61 33.031 -7.497 11.703 1.00 0.00 H new ATOM 0 HH21 ARG A 61 31.900 -6.051 8.693 1.00 0.00 H new ATOM 0 HH22 ARG A 61 32.794 -5.790 10.195 1.00 0.00 H new ATOM 958 N ARG A 62 26.848 -13.121 10.961 1.00 0.00 N ATOM 959 CA ARG A 62 27.018 -14.569 10.959 1.00 0.00 C ATOM 960 C ARG A 62 25.792 -15.259 10.366 1.00 0.00 C ATOM 961 O ARG A 62 24.722 -15.280 10.975 1.00 0.00 O ATOM 962 CB ARG A 62 27.265 -15.078 12.380 1.00 0.00 C ATOM 963 CG ARG A 62 28.503 -14.485 13.032 1.00 0.00 C ATOM 964 CD ARG A 62 28.756 -15.093 14.402 1.00 0.00 C ATOM 965 NE ARG A 62 28.956 -16.538 14.331 1.00 0.00 N ATOM 966 CZ ARG A 62 29.681 -17.225 15.207 1.00 0.00 C ATOM 967 NH1 ARG A 62 30.271 -16.601 16.217 1.00 0.00 N ATOM 968 NH2 ARG A 62 29.816 -18.538 15.075 1.00 0.00 N ATOM 0 H ARG A 62 25.897 -12.808 11.157 1.00 0.00 H new ATOM 0 HA ARG A 62 27.883 -14.807 10.340 1.00 0.00 H new ATOM 0 HB2 ARG A 62 26.395 -14.849 12.995 1.00 0.00 H new ATOM 0 HB3 ARG A 62 27.361 -16.163 12.357 1.00 0.00 H new ATOM 0 HG2 ARG A 62 29.369 -14.654 12.392 1.00 0.00 H new ATOM 0 HG3 ARG A 62 28.384 -13.406 13.128 1.00 0.00 H new ATOM 0 HD2 ARG A 62 29.634 -14.627 14.849 1.00 0.00 H new ATOM 0 HD3 ARG A 62 27.912 -14.876 15.057 1.00 0.00 H new ATOM 0 HE ARG A 62 28.514 -17.048 13.566 1.00 0.00 H new ATOM 0 HH11 ARG A 62 30.169 -15.592 16.323 1.00 0.00 H new ATOM 0 HH12 ARG A 62 30.827 -17.130 16.889 1.00 0.00 H new ATOM 0 HH21 ARG A 62 29.363 -19.022 14.300 1.00 0.00 H new ATOM 0 HH22 ARG A 62 30.373 -19.064 15.749 1.00 0.00 H new ATOM 982 N LYS A 63 25.955 -15.822 9.174 1.00 0.00 N ATOM 983 CA LYS A 63 24.864 -16.513 8.498 1.00 0.00 C ATOM 984 C LYS A 63 25.394 -17.649 7.629 1.00 0.00 C ATOM 985 O LYS A 63 26.559 -17.645 7.230 1.00 0.00 O ATOM 986 CB LYS A 63 24.065 -15.530 7.638 1.00 0.00 C ATOM 987 CG LYS A 63 22.907 -14.880 8.375 1.00 0.00 C ATOM 988 CD LYS A 63 22.399 -13.650 7.641 1.00 0.00 C ATOM 989 CE LYS A 63 21.660 -12.707 8.578 1.00 0.00 C ATOM 990 NZ LYS A 63 21.720 -11.296 8.105 1.00 0.00 N ATOM 0 H LYS A 63 26.833 -15.813 8.656 1.00 0.00 H new ATOM 0 HA LYS A 63 24.209 -16.937 9.260 1.00 0.00 H new ATOM 0 HB2 LYS A 63 24.735 -14.752 7.273 1.00 0.00 H new ATOM 0 HB3 LYS A 63 23.680 -16.055 6.764 1.00 0.00 H new ATOM 0 HG2 LYS A 63 22.096 -15.599 8.486 1.00 0.00 H new ATOM 0 HG3 LYS A 63 23.225 -14.600 9.379 1.00 0.00 H new ATOM 0 HD2 LYS A 63 23.238 -13.126 7.183 1.00 0.00 H new ATOM 0 HD3 LYS A 63 21.735 -13.956 6.833 1.00 0.00 H new ATOM 0 HE2 LYS A 63 20.619 -13.019 8.660 1.00 0.00 H new ATOM 0 HE3 LYS A 63 22.092 -12.774 9.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 21.372 -10.664 8.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 22.703 -11.049 7.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 21.127 -11.188 7.258 1.00 0.00 H new ATOM 1004 N GLN A 64 24.533 -18.619 7.340 1.00 0.00 N ATOM 1005 CA GLN A 64 24.916 -19.761 6.518 1.00 0.00 C ATOM 1006 C GLN A 64 24.274 -19.678 5.138 1.00 0.00 C ATOM 1007 O GLN A 64 23.469 -18.784 4.868 1.00 0.00 O ATOM 1008 CB GLN A 64 24.513 -21.068 7.204 1.00 0.00 C ATOM 1009 CG GLN A 64 23.018 -21.190 7.450 1.00 0.00 C ATOM 1010 CD GLN A 64 22.585 -20.539 8.749 1.00 0.00 C ATOM 1011 OE1 GLN A 64 22.144 -19.389 8.764 1.00 0.00 O ATOM 1012 NE2 GLN A 64 22.710 -21.272 9.849 1.00 0.00 N ATOM 0 H GLN A 64 23.566 -18.637 7.663 1.00 0.00 H new ATOM 0 HA GLN A 64 25.999 -19.742 6.396 1.00 0.00 H new ATOM 0 HB2 GLN A 64 24.841 -21.907 6.591 1.00 0.00 H new ATOM 0 HB3 GLN A 64 25.037 -21.145 8.157 1.00 0.00 H new ATOM 0 HG2 GLN A 64 22.479 -20.732 6.621 1.00 0.00 H new ATOM 0 HG3 GLN A 64 22.741 -22.244 7.466 1.00 0.00 H new ATOM 0 HE21 GLN A 64 23.080 -22.221 9.790 1.00 0.00 H new ATOM 0 HE22 GLN A 64 22.436 -20.886 10.753 1.00 0.00 H new ATOM 1021 N LEU A 65 24.633 -20.614 4.266 1.00 0.00 N ATOM 1022 CA LEU A 65 24.092 -20.647 2.912 1.00 0.00 C ATOM 1023 C LEU A 65 22.732 -21.338 2.886 1.00 0.00 C ATOM 1024 O LEU A 65 22.263 -21.848 3.904 1.00 0.00 O ATOM 1025 CB LEU A 65 25.061 -21.366 1.972 1.00 0.00 C ATOM 1026 CG LEU A 65 26.366 -20.631 1.663 1.00 0.00 C ATOM 1027 CD1 LEU A 65 27.443 -21.615 1.234 1.00 0.00 C ATOM 1028 CD2 LEU A 65 26.143 -19.578 0.587 1.00 0.00 C ATOM 0 H LEU A 65 25.297 -21.360 4.473 1.00 0.00 H new ATOM 0 HA LEU A 65 23.963 -19.619 2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 65 25.307 -22.334 2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 65 24.546 -21.561 1.031 1.00 0.00 H new ATOM 0 HG LEU A 65 26.702 -20.129 2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 65 28.365 -21.074 1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 65 27.622 -22.331 2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 65 27.116 -22.146 0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 65 27.082 -19.065 0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 65 25.783 -20.058 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 65 25.403 -18.856 0.933 1.00 0.00 H new ATOM 1040 N LEU A 66 22.105 -21.353 1.715 1.00 0.00 N ATOM 1041 CA LEU A 66 20.800 -21.984 1.555 1.00 0.00 C ATOM 1042 C LEU A 66 20.915 -23.280 0.758 1.00 0.00 C ATOM 1043 O LEU A 66 21.829 -23.443 -0.051 1.00 0.00 O ATOM 1044 CB LEU A 66 19.831 -21.028 0.857 1.00 0.00 C ATOM 1045 CG LEU A 66 19.497 -19.742 1.613 1.00 0.00 C ATOM 1046 CD1 LEU A 66 18.998 -18.672 0.654 1.00 0.00 C ATOM 1047 CD2 LEU A 66 18.463 -20.013 2.696 1.00 0.00 C ATOM 0 H LEU A 66 22.479 -20.936 0.863 1.00 0.00 H new ATOM 0 HA LEU A 66 20.416 -22.222 2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 66 20.253 -20.758 -0.111 1.00 0.00 H new ATOM 0 HB3 LEU A 66 18.902 -21.563 0.662 1.00 0.00 H new ATOM 0 HG LEU A 66 20.407 -19.378 2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 66 18.765 -17.764 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 66 19.770 -18.457 -0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.100 -19.027 0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.237 -19.086 3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 66 17.552 -20.402 2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.857 -20.745 3.401 1.00 0.00 H new ATOM 1059 N SER A 67 19.981 -24.197 0.990 1.00 0.00 N ATOM 1060 CA SER A 67 19.979 -25.479 0.295 1.00 0.00 C ATOM 1061 C SER A 67 18.983 -25.468 -0.861 1.00 0.00 C ATOM 1062 O SER A 67 18.203 -24.529 -1.015 1.00 0.00 O ATOM 1063 CB SER A 67 19.638 -26.610 1.267 1.00 0.00 C ATOM 1064 OG SER A 67 18.301 -26.503 1.724 1.00 0.00 O ATOM 0 H SER A 67 19.216 -24.076 1.654 1.00 0.00 H new ATOM 0 HA SER A 67 20.977 -25.647 -0.110 1.00 0.00 H new ATOM 0 HB2 SER A 67 19.782 -27.572 0.775 1.00 0.00 H new ATOM 0 HB3 SER A 67 20.320 -26.581 2.117 1.00 0.00 H new ATOM 0 HG SER A 67 18.107 -27.238 2.342 1.00 0.00 H new ATOM 1070 N LYS A 68 19.016 -26.521 -1.671 1.00 0.00 N ATOM 1071 CA LYS A 68 18.117 -26.636 -2.813 1.00 0.00 C ATOM 1072 C LYS A 68 17.222 -27.864 -2.679 1.00 0.00 C ATOM 1073 O LYS A 68 17.380 -28.660 -1.754 1.00 0.00 O ATOM 1074 CB LYS A 68 18.918 -26.716 -4.114 1.00 0.00 C ATOM 1075 CG LYS A 68 19.884 -27.888 -4.163 1.00 0.00 C ATOM 1076 CD LYS A 68 21.256 -27.502 -3.637 1.00 0.00 C ATOM 1077 CE LYS A 68 22.303 -28.547 -3.992 1.00 0.00 C ATOM 1078 NZ LYS A 68 23.517 -28.428 -3.139 1.00 0.00 N ATOM 0 H LYS A 68 19.656 -27.307 -1.557 1.00 0.00 H new ATOM 0 HA LYS A 68 17.486 -25.748 -2.837 1.00 0.00 H new ATOM 0 HB2 LYS A 68 18.226 -26.791 -4.953 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.477 -25.789 -4.244 1.00 0.00 H new ATOM 0 HG2 LYS A 68 19.486 -28.714 -3.573 1.00 0.00 H new ATOM 0 HG3 LYS A 68 19.974 -28.244 -5.189 1.00 0.00 H new ATOM 0 HD2 LYS A 68 21.548 -26.537 -4.052 1.00 0.00 H new ATOM 0 HD3 LYS A 68 21.212 -27.383 -2.554 1.00 0.00 H new ATOM 0 HE2 LYS A 68 21.875 -29.543 -3.878 1.00 0.00 H new ATOM 0 HE3 LYS A 68 22.583 -28.439 -5.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 24.206 -29.157 -3.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 23.940 -27.487 -3.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 23.254 -28.557 -2.141 1.00 0.00 H new ATOM 1092 N GLN A 69 16.283 -28.012 -3.609 1.00 0.00 N ATOM 1093 CA GLN A 69 15.364 -29.144 -3.593 1.00 0.00 C ATOM 1094 C GLN A 69 15.210 -29.738 -4.989 1.00 0.00 C ATOM 1095 O GLN A 69 15.661 -29.158 -5.976 1.00 0.00 O ATOM 1096 CB GLN A 69 13.999 -28.712 -3.055 1.00 0.00 C ATOM 1097 CG GLN A 69 13.149 -29.868 -2.554 1.00 0.00 C ATOM 1098 CD GLN A 69 12.186 -29.453 -1.460 1.00 0.00 C ATOM 1099 OE1 GLN A 69 10.968 -29.540 -1.623 1.00 0.00 O ATOM 1100 NE2 GLN A 69 12.726 -28.999 -0.335 1.00 0.00 N ATOM 0 H GLN A 69 16.139 -27.363 -4.382 1.00 0.00 H new ATOM 0 HA GLN A 69 15.779 -29.909 -2.936 1.00 0.00 H new ATOM 0 HB2 GLN A 69 14.147 -28.001 -2.242 1.00 0.00 H new ATOM 0 HB3 GLN A 69 13.457 -28.188 -3.842 1.00 0.00 H new ATOM 0 HG2 GLN A 69 12.586 -30.288 -3.388 1.00 0.00 H new ATOM 0 HG3 GLN A 69 13.801 -30.657 -2.179 1.00 0.00 H new ATOM 0 HE21 GLN A 69 13.740 -28.944 -0.242 1.00 0.00 H new ATOM 0 HE22 GLN A 69 12.127 -28.706 0.436 1.00 0.00 H new ATOM 1109 N LYS A 70 14.569 -30.900 -5.064 1.00 0.00 N ATOM 1110 CA LYS A 70 14.353 -31.574 -6.339 1.00 0.00 C ATOM 1111 C LYS A 70 12.864 -31.693 -6.646 1.00 0.00 C ATOM 1112 O LYS A 70 12.025 -31.595 -5.750 1.00 0.00 O ATOM 1113 CB LYS A 70 14.993 -32.964 -6.319 1.00 0.00 C ATOM 1114 CG LYS A 70 15.255 -33.533 -7.702 1.00 0.00 C ATOM 1115 CD LYS A 70 15.877 -34.917 -7.627 1.00 0.00 C ATOM 1116 CE LYS A 70 14.814 -36.004 -7.578 1.00 0.00 C ATOM 1117 NZ LYS A 70 14.467 -36.376 -6.178 1.00 0.00 N ATOM 0 H LYS A 70 14.190 -31.395 -4.256 1.00 0.00 H new ATOM 0 HA LYS A 70 14.821 -30.976 -7.121 1.00 0.00 H new ATOM 0 HB2 LYS A 70 15.934 -32.913 -5.772 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.343 -33.646 -5.772 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.319 -33.583 -8.259 1.00 0.00 H new ATOM 0 HG3 LYS A 70 15.918 -32.865 -8.252 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.521 -35.075 -8.492 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.510 -34.985 -6.742 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.918 -35.660 -8.095 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.171 -36.886 -8.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.824 -37.331 -5.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.901 -35.697 -5.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.434 -36.360 -6.060 1.00 0.00 H new ATOM 1131 N TYR A 71 12.542 -31.905 -7.917 1.00 0.00 N ATOM 1132 CA TYR A 71 11.153 -32.036 -8.342 1.00 0.00 C ATOM 1133 C TYR A 71 11.048 -32.888 -9.604 1.00 0.00 C ATOM 1134 O TYR A 71 12.057 -33.250 -10.208 1.00 0.00 O ATOM 1135 CB TYR A 71 10.542 -30.656 -8.593 1.00 0.00 C ATOM 1136 CG TYR A 71 11.195 -29.902 -9.729 1.00 0.00 C ATOM 1137 CD1 TYR A 71 12.519 -29.489 -9.644 1.00 0.00 C ATOM 1138 CD2 TYR A 71 10.488 -29.601 -10.886 1.00 0.00 C ATOM 1139 CE1 TYR A 71 13.120 -28.799 -10.679 1.00 0.00 C ATOM 1140 CE2 TYR A 71 11.081 -28.913 -11.927 1.00 0.00 C ATOM 1141 CZ TYR A 71 12.397 -28.514 -11.819 1.00 0.00 C ATOM 1142 OH TYR A 71 12.990 -27.827 -12.853 1.00 0.00 O ATOM 0 H TYR A 71 13.224 -31.990 -8.671 1.00 0.00 H new ATOM 0 HA TYR A 71 10.600 -32.531 -7.544 1.00 0.00 H new ATOM 0 HB2 TYR A 71 9.480 -30.772 -8.808 1.00 0.00 H new ATOM 0 HB3 TYR A 71 10.620 -30.062 -7.682 1.00 0.00 H new ATOM 0 HD1 TYR A 71 13.088 -29.711 -8.753 1.00 0.00 H new ATOM 0 HD2 TYR A 71 9.457 -29.910 -10.973 1.00 0.00 H new ATOM 0 HE1 TYR A 71 14.150 -28.484 -10.596 1.00 0.00 H new ATOM 0 HE2 TYR A 71 10.517 -28.689 -12.820 1.00 0.00 H new ATOM 0 HH TYR A 71 12.344 -27.710 -13.581 1.00 0.00 H new ATOM 1152 N ALA A 72 9.818 -33.203 -9.996 1.00 0.00 N ATOM 1153 CA ALA A 72 9.579 -34.010 -11.186 1.00 0.00 C ATOM 1154 C ALA A 72 8.531 -33.363 -12.086 1.00 0.00 C ATOM 1155 O ALA A 72 7.881 -32.392 -11.699 1.00 0.00 O ATOM 1156 CB ALA A 72 9.146 -35.415 -10.794 1.00 0.00 C ATOM 0 H ALA A 72 8.972 -32.912 -9.507 1.00 0.00 H new ATOM 0 HA ALA A 72 10.512 -34.073 -11.745 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.971 -36.006 -11.693 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.929 -35.884 -10.198 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.227 -35.363 -10.210 1.00 0.00 H new ATOM 1162 N ASP A 73 8.373 -33.907 -13.287 1.00 0.00 N ATOM 1163 CA ASP A 73 7.404 -33.383 -14.243 1.00 0.00 C ATOM 1164 C ASP A 73 6.486 -34.491 -14.749 1.00 0.00 C ATOM 1165 O ASP A 73 6.682 -35.665 -14.436 1.00 0.00 O ATOM 1166 CB ASP A 73 8.122 -32.721 -15.420 1.00 0.00 C ATOM 1167 CG ASP A 73 9.342 -33.502 -15.866 1.00 0.00 C ATOM 1168 OD1 ASP A 73 9.196 -34.381 -16.742 1.00 0.00 O ATOM 1169 OD2 ASP A 73 10.443 -33.236 -15.340 1.00 0.00 O ATOM 0 H ASP A 73 8.903 -34.711 -13.622 1.00 0.00 H new ATOM 0 HA ASP A 73 6.796 -32.636 -13.733 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.430 -32.625 -16.257 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.423 -31.712 -15.138 1.00 0.00 H new ATOM 1174 N GLY A 74 5.481 -34.110 -15.532 1.00 0.00 N ATOM 1175 CA GLY A 74 4.547 -35.083 -16.068 1.00 0.00 C ATOM 1176 C GLY A 74 4.044 -34.705 -17.447 1.00 0.00 C ATOM 1177 O GLY A 74 4.334 -33.617 -17.944 1.00 0.00 O ATOM 0 H GLY A 74 5.297 -33.144 -15.805 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.031 -36.059 -16.116 1.00 0.00 H new ATOM 0 HA3 GLY A 74 3.699 -35.181 -15.390 1.00 0.00 H new ATOM 1181 N ALA A 75 3.289 -35.606 -18.066 1.00 0.00 N ATOM 1182 CA ALA A 75 2.744 -35.361 -19.396 1.00 0.00 C ATOM 1183 C ALA A 75 1.244 -35.633 -19.433 1.00 0.00 C ATOM 1184 O ALA A 75 0.654 -36.053 -18.437 1.00 0.00 O ATOM 1185 CB ALA A 75 3.463 -36.219 -20.427 1.00 0.00 C ATOM 0 H ALA A 75 3.041 -36.512 -17.668 1.00 0.00 H new ATOM 0 HA ALA A 75 2.903 -34.310 -19.639 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.046 -36.026 -21.415 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.525 -35.974 -20.427 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.333 -37.272 -20.178 1.00 0.00 H new ATOM 1191 N PHE A 76 0.631 -35.389 -20.587 1.00 0.00 N ATOM 1192 CA PHE A 76 -0.801 -35.605 -20.753 1.00 0.00 C ATOM 1193 C PHE A 76 -1.136 -35.946 -22.202 1.00 0.00 C ATOM 1194 O PHE A 76 -0.276 -35.882 -23.080 1.00 0.00 O ATOM 1195 CB PHE A 76 -1.580 -34.362 -20.317 1.00 0.00 C ATOM 1196 CG PHE A 76 -0.955 -33.074 -20.770 1.00 0.00 C ATOM 1197 CD1 PHE A 76 -1.154 -32.607 -22.059 1.00 0.00 C ATOM 1198 CD2 PHE A 76 -0.167 -32.330 -19.906 1.00 0.00 C ATOM 1199 CE1 PHE A 76 -0.580 -31.422 -22.479 1.00 0.00 C ATOM 1200 CE2 PHE A 76 0.408 -31.143 -20.320 1.00 0.00 C ATOM 1201 CZ PHE A 76 0.203 -30.689 -21.608 1.00 0.00 C ATOM 0 H PHE A 76 1.104 -35.041 -21.421 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.091 -36.447 -20.124 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -2.595 -34.422 -20.710 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.659 -34.355 -19.230 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.765 -33.176 -22.744 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.000 -32.681 -18.898 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.743 -31.069 -23.487 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.017 -30.571 -19.636 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.654 -29.763 -21.934 1.00 0.00 H new ATOM 1211 N ALA A 77 -2.391 -36.311 -22.443 1.00 0.00 N ATOM 1212 CA ALA A 77 -2.840 -36.661 -23.785 1.00 0.00 C ATOM 1213 C ALA A 77 -4.360 -36.597 -23.889 1.00 0.00 C ATOM 1214 O ALA A 77 -5.054 -36.433 -22.886 1.00 0.00 O ATOM 1215 CB ALA A 77 -2.341 -38.048 -24.163 1.00 0.00 C ATOM 0 H ALA A 77 -3.115 -36.372 -21.727 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.423 -35.934 -24.482 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.684 -38.297 -25.167 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.251 -38.062 -24.137 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.730 -38.780 -23.455 1.00 0.00 H new ATOM 1221 N ASP A 78 -4.870 -36.726 -25.109 1.00 0.00 N ATOM 1222 CA ASP A 78 -6.309 -36.683 -25.344 1.00 0.00 C ATOM 1223 C ASP A 78 -6.710 -37.666 -26.440 1.00 0.00 C ATOM 1224 O ASP A 78 -5.862 -38.340 -27.025 1.00 0.00 O ATOM 1225 CB ASP A 78 -6.742 -35.268 -25.727 1.00 0.00 C ATOM 1226 CG ASP A 78 -6.171 -34.828 -27.061 1.00 0.00 C ATOM 1227 OD1 ASP A 78 -5.027 -34.327 -27.080 1.00 0.00 O ATOM 1228 OD2 ASP A 78 -6.866 -34.986 -28.085 1.00 0.00 O ATOM 0 H ASP A 78 -4.309 -36.861 -25.950 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.812 -36.971 -24.421 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.830 -35.223 -25.769 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.424 -34.571 -24.951 1.00 0.00 H new ATOM 1233 N PHE A 79 -8.008 -37.743 -26.712 1.00 0.00 N ATOM 1234 CA PHE A 79 -8.522 -38.644 -27.737 1.00 0.00 C ATOM 1235 C PHE A 79 -9.822 -38.109 -28.330 1.00 0.00 C ATOM 1236 O PHE A 79 -10.445 -37.203 -27.775 1.00 0.00 O ATOM 1237 CB PHE A 79 -8.753 -40.039 -27.150 1.00 0.00 C ATOM 1238 CG PHE A 79 -7.482 -40.773 -26.832 1.00 0.00 C ATOM 1239 CD1 PHE A 79 -6.850 -41.542 -27.796 1.00 0.00 C ATOM 1240 CD2 PHE A 79 -6.918 -40.693 -25.569 1.00 0.00 C ATOM 1241 CE1 PHE A 79 -5.681 -42.219 -27.506 1.00 0.00 C ATOM 1242 CE2 PHE A 79 -5.748 -41.368 -25.272 1.00 0.00 C ATOM 1243 CZ PHE A 79 -5.129 -42.131 -26.243 1.00 0.00 C ATOM 0 H PHE A 79 -8.723 -37.192 -26.237 1.00 0.00 H new ATOM 0 HA PHE A 79 -7.780 -38.709 -28.533 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -9.348 -39.948 -26.241 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -9.337 -40.629 -27.856 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -7.276 -41.613 -28.786 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -7.398 -40.096 -24.807 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.199 -42.816 -28.266 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.319 -41.299 -24.283 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.214 -42.658 -26.015 1.00 0.00 H new ATOM 1253 N LYS A 80 -10.226 -38.675 -29.462 1.00 0.00 N ATOM 1254 CA LYS A 80 -11.451 -38.257 -30.133 1.00 0.00 C ATOM 1255 C LYS A 80 -12.681 -38.735 -29.367 1.00 0.00 C ATOM 1256 O LYS A 80 -12.573 -39.545 -28.447 1.00 0.00 O ATOM 1257 CB LYS A 80 -11.485 -38.800 -31.563 1.00 0.00 C ATOM 1258 CG LYS A 80 -12.373 -37.996 -32.498 1.00 0.00 C ATOM 1259 CD LYS A 80 -12.109 -38.343 -33.953 1.00 0.00 C ATOM 1260 CE LYS A 80 -12.956 -39.521 -34.409 1.00 0.00 C ATOM 1261 NZ LYS A 80 -12.264 -40.820 -34.187 1.00 0.00 N ATOM 0 H LYS A 80 -9.722 -39.425 -29.935 1.00 0.00 H new ATOM 0 HA LYS A 80 -11.465 -37.168 -30.165 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.471 -38.814 -31.962 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.834 -39.832 -31.543 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -13.420 -38.188 -32.261 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.200 -36.932 -32.340 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.322 -37.477 -34.579 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.053 -38.580 -34.086 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.903 -39.517 -33.870 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.191 -39.411 -35.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -12.668 -41.541 -34.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -11.250 -40.712 -34.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.390 -41.116 -33.198 1.00 0.00 H new ATOM 1275 N GLN A 81 -13.847 -38.230 -29.755 1.00 0.00 N ATOM 1276 CA GLN A 81 -15.097 -38.607 -29.105 1.00 0.00 C ATOM 1277 C GLN A 81 -15.615 -39.935 -29.649 1.00 0.00 C ATOM 1278 O GLN A 81 -15.818 -40.887 -28.897 1.00 0.00 O ATOM 1279 CB GLN A 81 -16.150 -37.516 -29.303 1.00 0.00 C ATOM 1280 CG GLN A 81 -15.993 -36.340 -28.353 1.00 0.00 C ATOM 1281 CD GLN A 81 -16.879 -35.167 -28.724 1.00 0.00 C ATOM 1282 OE1 GLN A 81 -16.885 -34.718 -29.871 1.00 0.00 O ATOM 1283 NE2 GLN A 81 -17.634 -34.664 -27.754 1.00 0.00 N ATOM 0 H GLN A 81 -13.953 -37.559 -30.516 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.901 -38.723 -28.039 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -16.097 -37.153 -30.329 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -17.141 -37.950 -29.170 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -16.230 -36.663 -27.339 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.952 -36.017 -28.350 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -17.597 -35.067 -26.818 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -18.251 -33.874 -27.945 1.00 0.00 H new ATOM 1292 N GLU A 82 -15.826 -39.989 -30.961 1.00 0.00 N ATOM 1293 CA GLU A 82 -16.321 -41.200 -31.604 1.00 0.00 C ATOM 1294 C GLU A 82 -17.700 -41.576 -31.069 1.00 0.00 C ATOM 1295 O GLU A 82 -17.985 -42.749 -30.827 1.00 0.00 O ATOM 1296 CB GLU A 82 -15.344 -42.357 -31.386 1.00 0.00 C ATOM 1297 CG GLU A 82 -15.377 -43.399 -32.491 1.00 0.00 C ATOM 1298 CD GLU A 82 -16.756 -44.000 -32.684 1.00 0.00 C ATOM 1299 OE1 GLU A 82 -17.621 -43.321 -33.275 1.00 0.00 O ATOM 1300 OE2 GLU A 82 -16.969 -45.150 -32.245 1.00 0.00 O ATOM 0 H GLU A 82 -15.662 -39.209 -31.598 1.00 0.00 H new ATOM 0 HA GLU A 82 -16.406 -41.003 -32.673 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -14.333 -41.957 -31.305 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -15.572 -42.840 -30.436 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -15.049 -42.943 -33.425 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -14.668 -44.193 -32.258 1.00 0.00 H new ATOM 1307 N SER A 83 -18.551 -40.571 -30.885 1.00 0.00 N ATOM 1308 CA SER A 83 -19.898 -40.795 -30.373 1.00 0.00 C ATOM 1309 C SER A 83 -20.689 -41.706 -31.307 1.00 0.00 C ATOM 1310 O SER A 83 -20.407 -41.785 -32.502 1.00 0.00 O ATOM 1311 CB SER A 83 -20.629 -39.462 -30.202 1.00 0.00 C ATOM 1312 OG SER A 83 -21.564 -39.526 -29.139 1.00 0.00 O ATOM 0 H SER A 83 -18.332 -39.595 -31.083 1.00 0.00 H new ATOM 0 HA SER A 83 -19.815 -41.283 -29.402 1.00 0.00 H new ATOM 0 HB2 SER A 83 -19.906 -38.670 -30.008 1.00 0.00 H new ATOM 0 HB3 SER A 83 -21.143 -39.204 -31.128 1.00 0.00 H new ATOM 0 HG SER A 83 -22.017 -38.661 -29.049 1.00 0.00 H new ATOM 1318 N GLY A 84 -21.684 -42.392 -30.752 1.00 0.00 N ATOM 1319 CA GLY A 84 -22.501 -43.289 -31.548 1.00 0.00 C ATOM 1320 C GLY A 84 -23.520 -44.039 -30.713 1.00 0.00 C ATOM 1321 O GLY A 84 -23.341 -45.211 -30.382 1.00 0.00 O ATOM 0 H GLY A 84 -21.939 -42.342 -29.766 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -23.018 -42.717 -32.319 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -21.857 -44.005 -32.059 1.00 0.00 H new ATOM 1325 N PRO A 85 -24.618 -43.356 -30.358 1.00 0.00 N ATOM 1326 CA PRO A 85 -25.691 -43.945 -29.552 1.00 0.00 C ATOM 1327 C PRO A 85 -26.478 -45.003 -30.317 1.00 0.00 C ATOM 1328 O PRO A 85 -26.433 -45.055 -31.546 1.00 0.00 O ATOM 1329 CB PRO A 85 -26.586 -42.748 -29.222 1.00 0.00 C ATOM 1330 CG PRO A 85 -26.337 -41.775 -30.323 1.00 0.00 C ATOM 1331 CD PRO A 85 -24.898 -41.955 -30.718 1.00 0.00 C ATOM 0 HA PRO A 85 -25.303 -44.460 -28.673 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -27.636 -43.038 -29.180 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -26.334 -42.321 -28.251 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -27.000 -41.964 -31.168 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -26.526 -40.754 -29.991 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -24.748 -41.776 -31.783 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -24.245 -41.265 -30.184 1.00 0.00 H new ATOM 1339 N SER A 86 -27.198 -45.845 -29.583 1.00 0.00 N ATOM 1340 CA SER A 86 -27.993 -46.904 -30.194 1.00 0.00 C ATOM 1341 C SER A 86 -29.027 -47.444 -29.210 1.00 0.00 C ATOM 1342 O SER A 86 -28.723 -47.678 -28.040 1.00 0.00 O ATOM 1343 CB SER A 86 -27.086 -48.040 -30.672 1.00 0.00 C ATOM 1344 OG SER A 86 -26.589 -47.781 -31.974 1.00 0.00 O ATOM 0 H SER A 86 -27.247 -45.815 -28.565 1.00 0.00 H new ATOM 0 HA SER A 86 -28.518 -46.482 -31.051 1.00 0.00 H new ATOM 0 HB2 SER A 86 -26.254 -48.161 -29.979 1.00 0.00 H new ATOM 0 HB3 SER A 86 -27.641 -48.978 -30.671 1.00 0.00 H new ATOM 0 HG SER A 86 -26.458 -46.817 -32.088 1.00 0.00 H new ATOM 1350 N SER A 87 -30.249 -47.639 -29.693 1.00 0.00 N ATOM 1351 CA SER A 87 -31.330 -48.147 -28.857 1.00 0.00 C ATOM 1352 C SER A 87 -32.259 -49.052 -29.660 1.00 0.00 C ATOM 1353 O SER A 87 -32.581 -48.764 -30.812 1.00 0.00 O ATOM 1354 CB SER A 87 -32.125 -46.988 -28.253 1.00 0.00 C ATOM 1355 OG SER A 87 -31.368 -46.311 -27.264 1.00 0.00 O ATOM 0 H SER A 87 -30.516 -47.453 -30.660 1.00 0.00 H new ATOM 0 HA SER A 87 -30.888 -48.733 -28.051 1.00 0.00 H new ATOM 0 HB2 SER A 87 -32.409 -46.289 -29.040 1.00 0.00 H new ATOM 0 HB3 SER A 87 -33.048 -47.366 -27.813 1.00 0.00 H new ATOM 0 HG SER A 87 -31.897 -45.574 -26.895 1.00 0.00 H new ATOM 1361 N GLY A 88 -32.687 -50.149 -29.042 1.00 0.00 N ATOM 1362 CA GLY A 88 -33.575 -51.080 -29.714 1.00 0.00 C ATOM 1363 C GLY A 88 -34.804 -51.406 -28.889 1.00 0.00 C ATOM 1364 O GLY A 88 -35.580 -50.501 -28.585 1.00 0.00 O ATOM 0 H GLY A 88 -32.435 -50.409 -28.089 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -33.884 -50.657 -30.670 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -33.033 -52.000 -29.933 1.00 0.00 H new TER 1368 GLY A 88 HETATM 1369 ZN ZN A 201 2.109 -5.277 3.489 1.00 0.00 ZN