USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=21 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 26 TYR OH : rot 138:sc= 0.278 USER MOD Set 1.2: A 37 SER OG : rot 24:sc= 0.285 USER MOD Set 1.3: A 38 THR OG1 : rot -7:sc= 1.56 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.115 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.0311 X(o=-0.031,f=-0.29) USER MOD Single : A 23 ASN : amide:sc= -0.115 K(o=-0.11,f=-1.1) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0209 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.96 F(o=-2.7,f=-0.96) USER MOD Single : A 29 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0204) USER MOD Single : A 30 HIS : no HD1:sc= -0.418 X(o=-0.42,f=-0.41) USER MOD Single : A 33 SER OG : rot -105:sc= 0.884 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -2.7 X(o=-2.7,f=-3.1!) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0549 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.6!) USER MOD Single : A 49 ASN : amide:sc= -0.0317 K(o=-0.032,f=-1.7) USER MOD Single : A 53 GLN : amide:sc= -4.79! C(o=-4.8!,f=-11!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -138:sc= -0.766 (180deg=-2.61!) USER MOD Single : A 59 GLN : amide:sc= -0.502 X(o=-0.5,f=-0.28) USER MOD Single : A 63 LYS NZ :NH3+ -169:sc=-0.000922 (180deg=-0.0821) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 67 SER OG : rot 180:sc= -0.344 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -5.09! C(o=-5.1!,f=-6.1!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= -0.0241 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.970 -48.810 -43.792 1.00 0.00 N ATOM 2 CA GLY A 1 15.966 -47.873 -43.322 1.00 0.00 C ATOM 3 C GLY A 1 15.741 -46.730 -44.292 1.00 0.00 C ATOM 4 O GLY A 1 14.669 -46.614 -44.887 1.00 0.00 O ATOM 0 H1 GLY A 1 17.087 -49.572 -43.094 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.668 -49.216 -44.701 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.875 -48.314 -43.918 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.026 -48.402 -43.164 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.272 -47.471 -42.356 1.00 0.00 H new ATOM 8 N SER A 2 16.752 -45.883 -44.450 1.00 0.00 N ATOM 9 CA SER A 2 16.658 -44.739 -45.350 1.00 0.00 C ATOM 10 C SER A 2 15.244 -44.165 -45.352 1.00 0.00 C ATOM 11 O SER A 2 14.709 -43.807 -46.401 1.00 0.00 O ATOM 12 CB SER A 2 17.056 -45.147 -46.770 1.00 0.00 C ATOM 13 OG SER A 2 16.340 -46.294 -47.191 1.00 0.00 O ATOM 0 H SER A 2 17.646 -45.967 -43.967 1.00 0.00 H new ATOM 0 HA SER A 2 17.344 -43.970 -44.994 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.863 -44.322 -47.456 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.126 -45.349 -46.807 1.00 0.00 H new ATOM 0 HG SER A 2 16.611 -46.533 -48.102 1.00 0.00 H new ATOM 19 N SER A 3 14.645 -44.080 -44.168 1.00 0.00 N ATOM 20 CA SER A 3 13.293 -43.552 -44.032 1.00 0.00 C ATOM 21 C SER A 3 13.269 -42.354 -43.089 1.00 0.00 C ATOM 22 O SER A 3 14.288 -41.992 -42.501 1.00 0.00 O ATOM 23 CB SER A 3 12.348 -44.640 -43.517 1.00 0.00 C ATOM 24 OG SER A 3 12.866 -45.254 -42.349 1.00 0.00 O ATOM 0 H SER A 3 15.075 -44.370 -43.290 1.00 0.00 H new ATOM 0 HA SER A 3 12.957 -43.224 -45.016 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.372 -44.206 -43.301 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.198 -45.392 -44.291 1.00 0.00 H new ATOM 0 HG SER A 3 12.243 -45.944 -42.039 1.00 0.00 H new ATOM 30 N GLY A 4 12.098 -41.741 -42.949 1.00 0.00 N ATOM 31 CA GLY A 4 11.962 -40.589 -42.076 1.00 0.00 C ATOM 32 C GLY A 4 10.526 -40.121 -41.953 1.00 0.00 C ATOM 33 O GLY A 4 9.622 -40.703 -42.553 1.00 0.00 O ATOM 0 H GLY A 4 11.240 -42.021 -43.425 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.345 -40.839 -41.087 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.575 -39.773 -42.458 1.00 0.00 H new ATOM 37 N SER A 5 10.313 -39.067 -41.171 1.00 0.00 N ATOM 38 CA SER A 5 8.975 -38.525 -40.966 1.00 0.00 C ATOM 39 C SER A 5 9.035 -37.206 -40.201 1.00 0.00 C ATOM 40 O SER A 5 10.076 -36.838 -39.657 1.00 0.00 O ATOM 41 CB SER A 5 8.105 -39.529 -40.208 1.00 0.00 C ATOM 42 OG SER A 5 8.583 -39.722 -38.888 1.00 0.00 O ATOM 0 H SER A 5 11.050 -38.572 -40.669 1.00 0.00 H new ATOM 0 HA SER A 5 8.532 -38.338 -41.944 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.075 -39.172 -40.177 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.097 -40.481 -40.738 1.00 0.00 H new ATOM 0 HG SER A 5 8.009 -40.367 -38.423 1.00 0.00 H new ATOM 48 N SER A 6 7.911 -36.499 -40.165 1.00 0.00 N ATOM 49 CA SER A 6 7.834 -35.219 -39.471 1.00 0.00 C ATOM 50 C SER A 6 6.651 -35.192 -38.508 1.00 0.00 C ATOM 51 O SER A 6 5.681 -35.929 -38.679 1.00 0.00 O ATOM 52 CB SER A 6 7.712 -34.074 -40.479 1.00 0.00 C ATOM 53 OG SER A 6 7.854 -32.816 -39.841 1.00 0.00 O ATOM 0 H SER A 6 7.040 -36.791 -40.609 1.00 0.00 H new ATOM 0 HA SER A 6 8.751 -35.091 -38.896 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.474 -34.182 -41.251 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.744 -34.125 -40.977 1.00 0.00 H new ATOM 0 HG SER A 6 7.774 -32.101 -40.506 1.00 0.00 H new ATOM 59 N GLY A 7 6.740 -34.336 -37.495 1.00 0.00 N ATOM 60 CA GLY A 7 5.671 -34.229 -36.519 1.00 0.00 C ATOM 61 C GLY A 7 5.008 -32.866 -36.533 1.00 0.00 C ATOM 62 O GLY A 7 5.560 -31.904 -37.070 1.00 0.00 O ATOM 0 H GLY A 7 7.533 -33.715 -37.333 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.923 -34.996 -36.719 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.071 -34.425 -35.524 1.00 0.00 H new ATOM 66 N LEU A 8 3.821 -32.781 -35.942 1.00 0.00 N ATOM 67 CA LEU A 8 3.081 -31.525 -35.890 1.00 0.00 C ATOM 68 C LEU A 8 2.747 -31.149 -34.450 1.00 0.00 C ATOM 69 O LEU A 8 3.037 -31.899 -33.517 1.00 0.00 O ATOM 70 CB LEU A 8 1.795 -31.633 -36.712 1.00 0.00 C ATOM 71 CG LEU A 8 1.931 -31.353 -38.209 1.00 0.00 C ATOM 72 CD1 LEU A 8 0.653 -31.735 -38.941 1.00 0.00 C ATOM 73 CD2 LEU A 8 2.268 -29.889 -38.450 1.00 0.00 C ATOM 0 H LEU A 8 3.351 -33.567 -35.492 1.00 0.00 H new ATOM 0 HA LEU A 8 3.711 -30.743 -36.314 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.390 -32.637 -36.586 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.063 -30.939 -36.298 1.00 0.00 H new ATOM 0 HG LEU A 8 2.746 -31.962 -38.600 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.768 -31.529 -40.005 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.454 -32.797 -38.796 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.180 -31.153 -38.547 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.361 -29.709 -39.521 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.475 -29.261 -38.044 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.210 -29.647 -37.958 1.00 0.00 H new ATOM 85 N LYS A 9 2.132 -29.984 -34.275 1.00 0.00 N ATOM 86 CA LYS A 9 1.754 -29.510 -32.949 1.00 0.00 C ATOM 87 C LYS A 9 0.507 -28.634 -33.019 1.00 0.00 C ATOM 88 O LYS A 9 0.032 -28.301 -34.105 1.00 0.00 O ATOM 89 CB LYS A 9 2.907 -28.724 -32.318 1.00 0.00 C ATOM 90 CG LYS A 9 3.092 -27.337 -32.908 1.00 0.00 C ATOM 91 CD LYS A 9 4.152 -27.331 -33.997 1.00 0.00 C ATOM 92 CE LYS A 9 3.543 -27.574 -35.369 1.00 0.00 C ATOM 93 NZ LYS A 9 4.298 -26.872 -36.443 1.00 0.00 N ATOM 0 H LYS A 9 1.885 -29.351 -35.035 1.00 0.00 H new ATOM 0 HA LYS A 9 1.532 -30.379 -32.330 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.730 -28.633 -31.246 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.831 -29.289 -32.442 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.145 -26.986 -33.319 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.375 -26.640 -32.119 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.673 -26.374 -33.994 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.896 -28.100 -33.787 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.528 -28.644 -35.575 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.507 -27.235 -35.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.851 -27.063 -37.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.291 -25.848 -36.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.280 -27.214 -36.457 1.00 0.00 H new ATOM 107 N ARG A 10 -0.017 -28.264 -31.856 1.00 0.00 N ATOM 108 CA ARG A 10 -1.209 -27.427 -31.786 1.00 0.00 C ATOM 109 C ARG A 10 -1.116 -26.444 -30.622 1.00 0.00 C ATOM 110 O ARG A 10 -0.478 -26.727 -29.608 1.00 0.00 O ATOM 111 CB ARG A 10 -2.459 -28.295 -31.637 1.00 0.00 C ATOM 112 CG ARG A 10 -2.685 -29.245 -32.801 1.00 0.00 C ATOM 113 CD ARG A 10 -3.475 -30.472 -32.375 1.00 0.00 C ATOM 114 NE ARG A 10 -2.608 -31.531 -31.864 1.00 0.00 N ATOM 115 CZ ARG A 10 -3.020 -32.772 -31.636 1.00 0.00 C ATOM 116 NH1 ARG A 10 -4.281 -33.109 -31.872 1.00 0.00 N ATOM 117 NH2 ARG A 10 -2.171 -33.680 -31.171 1.00 0.00 N ATOM 0 H ARG A 10 0.365 -28.530 -30.949 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.279 -26.859 -32.713 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.381 -28.874 -30.717 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.330 -27.648 -31.533 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.219 -28.726 -33.597 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.724 -29.554 -33.211 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.195 -30.191 -31.607 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.046 -30.849 -33.224 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.632 -31.304 -31.672 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.936 -32.414 -32.229 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.595 -34.063 -31.696 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.201 -33.425 -30.988 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.489 -34.633 -30.996 1.00 0.00 H new ATOM 131 N ASP A 11 -1.756 -25.291 -30.777 1.00 0.00 N ATOM 132 CA ASP A 11 -1.746 -24.266 -29.739 1.00 0.00 C ATOM 133 C ASP A 11 -2.886 -24.485 -28.749 1.00 0.00 C ATOM 134 O ASP A 11 -3.809 -25.257 -29.010 1.00 0.00 O ATOM 135 CB ASP A 11 -1.857 -22.875 -30.364 1.00 0.00 C ATOM 136 CG ASP A 11 -1.095 -22.765 -31.671 1.00 0.00 C ATOM 137 OD1 ASP A 11 0.058 -23.242 -31.727 1.00 0.00 O ATOM 138 OD2 ASP A 11 -1.652 -22.204 -32.637 1.00 0.00 O ATOM 0 H ASP A 11 -2.288 -25.042 -31.611 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.801 -24.339 -29.200 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.907 -22.641 -30.538 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.477 -22.133 -29.662 1.00 0.00 H new ATOM 143 N PHE A 12 -2.816 -23.800 -27.612 1.00 0.00 N ATOM 144 CA PHE A 12 -3.841 -23.921 -26.582 1.00 0.00 C ATOM 145 C PHE A 12 -4.457 -22.561 -26.267 1.00 0.00 C ATOM 146 O PHE A 12 -3.922 -21.521 -26.652 1.00 0.00 O ATOM 147 CB PHE A 12 -3.247 -24.532 -25.311 1.00 0.00 C ATOM 148 CG PHE A 12 -2.227 -23.654 -24.644 1.00 0.00 C ATOM 149 CD1 PHE A 12 -0.988 -23.443 -25.227 1.00 0.00 C ATOM 150 CD2 PHE A 12 -2.507 -23.040 -23.434 1.00 0.00 C ATOM 151 CE1 PHE A 12 -0.047 -22.636 -24.615 1.00 0.00 C ATOM 152 CE2 PHE A 12 -1.571 -22.231 -22.819 1.00 0.00 C ATOM 153 CZ PHE A 12 -0.339 -22.029 -23.409 1.00 0.00 C ATOM 0 H PHE A 12 -2.060 -23.155 -27.381 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.625 -24.577 -26.959 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.052 -24.739 -24.606 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.786 -25.488 -25.558 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.755 -23.914 -26.170 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.468 -23.196 -22.966 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.916 -22.480 -25.079 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.803 -21.757 -21.877 1.00 0.00 H new ATOM 0 HZ PHE A 12 0.394 -21.398 -22.929 1.00 0.00 H new ATOM 163 N ILE A 13 -5.585 -22.578 -25.564 1.00 0.00 N ATOM 164 CA ILE A 13 -6.274 -21.348 -25.197 1.00 0.00 C ATOM 165 C ILE A 13 -6.180 -21.092 -23.696 1.00 0.00 C ATOM 166 O ILE A 13 -6.303 -22.015 -22.890 1.00 0.00 O ATOM 167 CB ILE A 13 -7.758 -21.389 -25.607 1.00 0.00 C ATOM 168 CG1 ILE A 13 -8.426 -20.042 -25.323 1.00 0.00 C ATOM 169 CG2 ILE A 13 -8.479 -22.510 -24.872 1.00 0.00 C ATOM 170 CD1 ILE A 13 -9.726 -19.843 -26.071 1.00 0.00 C ATOM 0 H ILE A 13 -6.040 -23.430 -25.238 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.780 -20.538 -25.734 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.819 -21.584 -26.678 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.615 -19.958 -24.253 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.737 -19.240 -25.589 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.527 -22.527 -25.172 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -8.015 -23.465 -25.120 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.412 -22.342 -23.797 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -10.144 -18.867 -25.822 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -9.540 -19.895 -27.144 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -10.432 -20.623 -25.787 1.00 0.00 H new ATOM 182 N ILE A 14 -5.963 -19.834 -23.329 1.00 0.00 N ATOM 183 CA ILE A 14 -5.855 -19.457 -21.925 1.00 0.00 C ATOM 184 C ILE A 14 -7.137 -18.794 -21.434 1.00 0.00 C ATOM 185 O ILE A 14 -7.252 -17.567 -21.427 1.00 0.00 O ATOM 186 CB ILE A 14 -4.672 -18.499 -21.688 1.00 0.00 C ATOM 187 CG1 ILE A 14 -3.361 -19.154 -22.128 1.00 0.00 C ATOM 188 CG2 ILE A 14 -4.603 -18.094 -20.223 1.00 0.00 C ATOM 189 CD1 ILE A 14 -3.074 -19.000 -23.605 1.00 0.00 C ATOM 0 H ILE A 14 -5.859 -19.059 -23.984 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.686 -20.376 -21.364 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.826 -17.601 -22.286 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.539 -18.720 -21.559 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.394 -20.215 -21.881 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.762 -17.417 -20.072 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.528 -17.592 -19.940 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.469 -18.982 -19.606 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.130 -19.488 -23.845 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.877 -19.459 -24.182 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.008 -17.941 -23.854 1.00 0.00 H new ATOM 201 N LEU A 15 -8.100 -19.612 -21.022 1.00 0.00 N ATOM 202 CA LEU A 15 -9.375 -19.106 -20.527 1.00 0.00 C ATOM 203 C LEU A 15 -9.726 -19.735 -19.183 1.00 0.00 C ATOM 204 O LEU A 15 -9.108 -20.713 -18.764 1.00 0.00 O ATOM 205 CB LEU A 15 -10.486 -19.386 -21.540 1.00 0.00 C ATOM 206 CG LEU A 15 -10.900 -20.850 -21.694 1.00 0.00 C ATOM 207 CD1 LEU A 15 -11.916 -21.232 -20.629 1.00 0.00 C ATOM 208 CD2 LEU A 15 -11.462 -21.102 -23.085 1.00 0.00 C ATOM 0 H LEU A 15 -8.021 -20.629 -21.021 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.281 -18.029 -20.389 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -11.365 -18.809 -21.254 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.165 -19.016 -22.513 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.016 -21.473 -21.563 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.199 -22.277 -20.754 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.478 -21.091 -19.641 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -12.800 -20.602 -20.727 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.751 -22.149 -23.176 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -12.335 -20.469 -23.245 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.703 -20.869 -23.832 1.00 0.00 H new ATOM 220 N GLY A 16 -10.724 -19.169 -18.512 1.00 0.00 N ATOM 221 CA GLY A 16 -11.142 -19.689 -17.223 1.00 0.00 C ATOM 222 C GLY A 16 -12.374 -18.988 -16.686 1.00 0.00 C ATOM 223 O GLY A 16 -12.478 -17.764 -16.753 1.00 0.00 O ATOM 0 H GLY A 16 -11.251 -18.359 -18.838 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.346 -20.756 -17.314 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.326 -19.580 -16.509 1.00 0.00 H new ATOM 227 N ASN A 17 -13.311 -19.766 -16.154 1.00 0.00 N ATOM 228 CA ASN A 17 -14.543 -19.212 -15.605 1.00 0.00 C ATOM 229 C ASN A 17 -14.289 -17.852 -14.962 1.00 0.00 C ATOM 230 O ASN A 17 -14.950 -16.867 -15.287 1.00 0.00 O ATOM 231 CB ASN A 17 -15.144 -20.171 -14.576 1.00 0.00 C ATOM 232 CG ASN A 17 -16.000 -21.246 -15.217 1.00 0.00 C ATOM 233 OD1 ASN A 17 -17.152 -21.003 -15.580 1.00 0.00 O ATOM 234 ND2 ASN A 17 -15.441 -22.441 -15.361 1.00 0.00 N ATOM 0 H ASN A 17 -13.241 -20.782 -16.091 1.00 0.00 H new ATOM 0 HA ASN A 17 -15.249 -19.080 -16.425 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -14.340 -20.641 -14.009 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -15.747 -19.606 -13.866 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -15.969 -23.203 -15.787 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -14.484 -22.598 -15.046 1.00 0.00 H new ATOM 241 N GLY A 18 -13.326 -17.807 -14.047 1.00 0.00 N ATOM 242 CA GLY A 18 -13.001 -16.563 -13.373 1.00 0.00 C ATOM 243 C GLY A 18 -14.221 -15.696 -13.136 1.00 0.00 C ATOM 244 O GLY A 18 -14.365 -14.618 -13.713 1.00 0.00 O ATOM 0 H GLY A 18 -12.765 -18.609 -13.760 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.525 -16.785 -12.418 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.276 -16.009 -13.969 1.00 0.00 H new ATOM 248 N PRO A 19 -15.129 -16.169 -12.269 1.00 0.00 N ATOM 249 CA PRO A 19 -16.360 -15.445 -11.938 1.00 0.00 C ATOM 250 C PRO A 19 -16.090 -14.186 -11.121 1.00 0.00 C ATOM 251 O PRO A 19 -15.314 -14.209 -10.166 1.00 0.00 O ATOM 252 CB PRO A 19 -17.156 -16.459 -11.112 1.00 0.00 C ATOM 253 CG PRO A 19 -16.127 -17.362 -10.527 1.00 0.00 C ATOM 254 CD PRO A 19 -15.022 -17.446 -11.544 1.00 0.00 C ATOM 0 HA PRO A 19 -16.882 -15.098 -12.830 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -17.738 -15.966 -10.334 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -17.860 -17.012 -11.735 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.757 -16.969 -9.580 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.544 -18.348 -10.322 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.047 -17.559 -11.070 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.153 -18.299 -12.210 1.00 0.00 H new ATOM 262 N ARG A 20 -16.737 -13.089 -11.502 1.00 0.00 N ATOM 263 CA ARG A 20 -16.566 -11.821 -10.804 1.00 0.00 C ATOM 264 C ARG A 20 -17.587 -11.677 -9.680 1.00 0.00 C ATOM 265 O ARG A 20 -18.791 -11.588 -9.927 1.00 0.00 O ATOM 266 CB ARG A 20 -16.702 -10.653 -11.784 1.00 0.00 C ATOM 267 CG ARG A 20 -15.601 -10.605 -12.830 1.00 0.00 C ATOM 268 CD ARG A 20 -14.231 -10.440 -12.191 1.00 0.00 C ATOM 269 NE ARG A 20 -13.284 -9.783 -13.087 1.00 0.00 N ATOM 270 CZ ARG A 20 -11.966 -9.918 -12.991 1.00 0.00 C ATOM 271 NH1 ARG A 20 -11.442 -10.683 -12.043 1.00 0.00 N ATOM 272 NH2 ARG A 20 -11.169 -9.288 -13.844 1.00 0.00 N ATOM 0 H ARG A 20 -17.384 -13.053 -12.290 1.00 0.00 H new ATOM 0 HA ARG A 20 -15.567 -11.807 -10.368 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -17.667 -10.722 -12.287 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -16.701 -9.718 -11.224 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.620 -11.520 -13.422 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -15.785 -9.778 -13.516 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.326 -9.858 -11.275 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -13.843 -11.418 -11.908 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.655 -9.188 -13.827 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.051 -11.169 -11.385 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.430 -10.785 -11.971 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.568 -8.699 -14.575 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.157 -9.393 -13.769 1.00 0.00 H new ATOM 286 N LEU A 21 -17.100 -11.655 -8.444 1.00 0.00 N ATOM 287 CA LEU A 21 -17.970 -11.522 -7.281 1.00 0.00 C ATOM 288 C LEU A 21 -17.459 -10.436 -6.340 1.00 0.00 C ATOM 289 O LEU A 21 -16.288 -10.061 -6.388 1.00 0.00 O ATOM 290 CB LEU A 21 -18.065 -12.855 -6.536 1.00 0.00 C ATOM 291 CG LEU A 21 -19.030 -13.885 -7.124 1.00 0.00 C ATOM 292 CD1 LEU A 21 -20.442 -13.322 -7.179 1.00 0.00 C ATOM 293 CD2 LEU A 21 -18.572 -14.316 -8.509 1.00 0.00 C ATOM 0 H LEU A 21 -16.107 -11.728 -8.222 1.00 0.00 H new ATOM 0 HA LEU A 21 -18.962 -11.236 -7.631 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -17.070 -13.299 -6.498 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -18.363 -12.653 -5.507 1.00 0.00 H new ATOM 0 HG LEU A 21 -19.035 -14.762 -6.476 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -21.115 -14.069 -7.600 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -20.770 -13.064 -6.172 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -20.454 -12.429 -7.804 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -19.271 -15.049 -8.912 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -18.537 -13.448 -9.167 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -17.579 -14.760 -8.442 1.00 0.00 H new ATOM 305 N GLN A 22 -18.345 -9.936 -5.484 1.00 0.00 N ATOM 306 CA GLN A 22 -17.982 -8.894 -4.531 1.00 0.00 C ATOM 307 C GLN A 22 -17.253 -9.486 -3.329 1.00 0.00 C ATOM 308 O GLN A 22 -17.760 -10.390 -2.666 1.00 0.00 O ATOM 309 CB GLN A 22 -19.230 -8.143 -4.066 1.00 0.00 C ATOM 310 CG GLN A 22 -18.925 -6.817 -3.386 1.00 0.00 C ATOM 311 CD GLN A 22 -18.475 -5.750 -4.364 1.00 0.00 C ATOM 312 OE1 GLN A 22 -19.097 -5.546 -5.408 1.00 0.00 O ATOM 313 NE2 GLN A 22 -17.390 -5.061 -4.032 1.00 0.00 N ATOM 0 H GLN A 22 -19.319 -10.236 -5.431 1.00 0.00 H new ATOM 0 HA GLN A 22 -17.311 -8.196 -5.032 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -19.876 -7.961 -4.925 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -19.788 -8.776 -3.376 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -19.814 -6.470 -2.859 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -18.149 -6.968 -2.636 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -16.905 -5.263 -3.157 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -17.041 -4.330 -4.651 1.00 0.00 H new ATOM 322 N ASN A 23 -16.059 -8.969 -3.054 1.00 0.00 N ATOM 323 CA ASN A 23 -15.260 -9.447 -1.933 1.00 0.00 C ATOM 324 C ASN A 23 -14.576 -8.286 -1.218 1.00 0.00 C ATOM 325 O ASN A 23 -14.072 -7.361 -1.855 1.00 0.00 O ATOM 326 CB ASN A 23 -14.211 -10.450 -2.418 1.00 0.00 C ATOM 327 CG ASN A 23 -14.833 -11.736 -2.928 1.00 0.00 C ATOM 328 OD1 ASN A 23 -15.794 -12.245 -2.352 1.00 0.00 O ATOM 329 ND2 ASN A 23 -14.285 -12.267 -4.015 1.00 0.00 N ATOM 0 H ASN A 23 -15.625 -8.219 -3.592 1.00 0.00 H new ATOM 0 HA ASN A 23 -15.928 -9.942 -1.228 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -13.618 -9.996 -3.212 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.527 -10.680 -1.601 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -14.660 -13.132 -4.405 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.489 -11.810 -4.460 1.00 0.00 H new ATOM 336 N SER A 24 -14.563 -8.341 0.110 1.00 0.00 N ATOM 337 CA SER A 24 -13.944 -7.292 0.913 1.00 0.00 C ATOM 338 C SER A 24 -12.495 -7.641 1.239 1.00 0.00 C ATOM 339 O SER A 24 -12.200 -8.193 2.300 1.00 0.00 O ATOM 340 CB SER A 24 -14.732 -7.078 2.206 1.00 0.00 C ATOM 341 OG SER A 24 -13.974 -6.343 3.150 1.00 0.00 O ATOM 0 H SER A 24 -14.974 -9.101 0.653 1.00 0.00 H new ATOM 0 HA SER A 24 -13.956 -6.370 0.332 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.659 -6.548 1.987 1.00 0.00 H new ATOM 0 HB3 SER A 24 -15.010 -8.043 2.630 1.00 0.00 H new ATOM 0 HG SER A 24 -14.501 -6.219 3.967 1.00 0.00 H new ATOM 347 N THR A 25 -11.593 -7.315 0.318 1.00 0.00 N ATOM 348 CA THR A 25 -10.175 -7.595 0.506 1.00 0.00 C ATOM 349 C THR A 25 -9.485 -6.460 1.256 1.00 0.00 C ATOM 350 O THR A 25 -9.883 -5.300 1.148 1.00 0.00 O ATOM 351 CB THR A 25 -9.462 -7.811 -0.842 1.00 0.00 C ATOM 352 OG1 THR A 25 -10.378 -8.354 -1.799 1.00 0.00 O ATOM 353 CG2 THR A 25 -8.274 -8.748 -0.682 1.00 0.00 C ATOM 0 H THR A 25 -11.819 -6.857 -0.565 1.00 0.00 H new ATOM 0 HA THR A 25 -10.109 -8.510 1.095 1.00 0.00 H new ATOM 0 HB THR A 25 -9.098 -6.846 -1.194 1.00 0.00 H new ATOM 0 HG1 THR A 25 -9.918 -8.487 -2.654 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.786 -8.885 -1.647 1.00 0.00 H new ATOM 0 HG22 THR A 25 -7.564 -8.318 0.025 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.619 -9.712 -0.309 1.00 0.00 H new ATOM 361 N TYR A 26 -8.450 -6.803 2.015 1.00 0.00 N ATOM 362 CA TYR A 26 -7.706 -5.812 2.784 1.00 0.00 C ATOM 363 C TYR A 26 -6.532 -5.266 1.978 1.00 0.00 C ATOM 364 O TYR A 26 -5.747 -6.026 1.413 1.00 0.00 O ATOM 365 CB TYR A 26 -7.201 -6.426 4.091 1.00 0.00 C ATOM 366 CG TYR A 26 -8.285 -6.626 5.125 1.00 0.00 C ATOM 367 CD1 TYR A 26 -9.515 -7.168 4.775 1.00 0.00 C ATOM 368 CD2 TYR A 26 -8.080 -6.271 6.453 1.00 0.00 C ATOM 369 CE1 TYR A 26 -10.509 -7.352 5.717 1.00 0.00 C ATOM 370 CE2 TYR A 26 -9.067 -6.452 7.402 1.00 0.00 C ATOM 371 CZ TYR A 26 -10.280 -6.993 7.029 1.00 0.00 C ATOM 372 OH TYR A 26 -11.267 -7.174 7.971 1.00 0.00 O ATOM 0 H TYR A 26 -8.107 -7.759 2.114 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.380 -4.986 3.014 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.735 -7.387 3.875 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.426 -5.783 4.509 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.698 -7.451 3.749 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.132 -5.846 6.748 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.460 -7.775 5.428 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -8.890 -6.172 8.430 1.00 0.00 H new ATOM 0 HH TYR A 26 -10.871 -7.524 8.796 1.00 0.00 H new ATOM 382 N GLN A 27 -6.420 -3.942 1.931 1.00 0.00 N ATOM 383 CA GLN A 27 -5.342 -3.293 1.195 1.00 0.00 C ATOM 384 C GLN A 27 -4.257 -2.796 2.143 1.00 0.00 C ATOM 385 O GLN A 27 -4.383 -1.728 2.743 1.00 0.00 O ATOM 386 CB GLN A 27 -5.890 -2.126 0.371 1.00 0.00 C ATOM 387 CG GLN A 27 -4.890 -1.563 -0.626 1.00 0.00 C ATOM 388 CD GLN A 27 -4.459 -2.583 -1.661 1.00 0.00 C ATOM 389 OE1 GLN A 27 -3.153 -2.781 -1.790 1.00 0.00 O flip ATOM 390 NE2 GLN A 27 -5.292 -3.187 -2.338 1.00 0.00 N flip ATOM 0 H GLN A 27 -7.062 -3.299 2.394 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.901 -4.029 0.522 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.779 -2.457 -0.166 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.204 -1.331 1.047 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.331 -0.703 -1.131 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.012 -1.202 -0.090 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.287 -3.004 -2.206 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.987 -3.871 -3.031 1.00 0.00 H new ATOM 399 N CYS A 28 -3.190 -3.578 2.276 1.00 0.00 N ATOM 400 CA CYS A 28 -2.083 -3.218 3.153 1.00 0.00 C ATOM 401 C CYS A 28 -1.520 -1.848 2.785 1.00 0.00 C ATOM 402 O CYS A 28 -1.251 -1.568 1.617 1.00 0.00 O ATOM 403 CB CYS A 28 -0.978 -4.274 3.072 1.00 0.00 C ATOM 404 SG CYS A 28 0.178 -4.249 4.480 1.00 0.00 S ATOM 0 H CYS A 28 -3.069 -4.465 1.787 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.461 -3.173 4.174 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.437 -5.261 3.010 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.415 -4.126 2.151 1.00 0.00 H new ATOM 409 N LYS A 29 -1.346 -0.997 3.791 1.00 0.00 N ATOM 410 CA LYS A 29 -0.814 0.343 3.576 1.00 0.00 C ATOM 411 C LYS A 29 0.704 0.358 3.726 1.00 0.00 C ATOM 412 O LYS A 29 1.311 1.416 3.895 1.00 0.00 O ATOM 413 CB LYS A 29 -1.445 1.329 4.563 1.00 0.00 C ATOM 414 CG LYS A 29 -0.802 1.306 5.939 1.00 0.00 C ATOM 415 CD LYS A 29 -1.231 0.085 6.735 1.00 0.00 C ATOM 416 CE LYS A 29 -0.865 0.221 8.205 1.00 0.00 C ATOM 417 NZ LYS A 29 -1.787 1.143 8.923 1.00 0.00 N ATOM 0 H LYS A 29 -1.566 -1.212 4.763 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.063 0.646 2.559 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.372 2.337 4.154 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.506 1.101 4.663 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.283 1.311 5.835 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.074 2.210 6.484 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.308 -0.054 6.638 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.757 -0.805 6.322 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.892 -0.761 8.678 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.157 0.589 8.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.591 1.105 9.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.645 2.114 8.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.771 0.855 8.749 1.00 0.00 H new ATOM 431 N HIS A 30 1.311 -0.823 3.663 1.00 0.00 N ATOM 432 CA HIS A 30 2.759 -0.945 3.790 1.00 0.00 C ATOM 433 C HIS A 30 3.385 -1.383 2.469 1.00 0.00 C ATOM 434 O HIS A 30 4.341 -0.771 1.991 1.00 0.00 O ATOM 435 CB HIS A 30 3.113 -1.945 4.891 1.00 0.00 C ATOM 436 CG HIS A 30 3.267 -1.318 6.243 1.00 0.00 C ATOM 437 ND1 HIS A 30 2.308 -0.504 6.808 1.00 0.00 N ATOM 438 CD2 HIS A 30 4.275 -1.390 7.143 1.00 0.00 C ATOM 439 CE1 HIS A 30 2.721 -0.102 7.997 1.00 0.00 C ATOM 440 NE2 HIS A 30 3.912 -0.626 8.224 1.00 0.00 N ATOM 0 H HIS A 30 0.823 -1.708 3.525 1.00 0.00 H new ATOM 0 HA HIS A 30 3.159 0.033 4.055 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.337 -2.709 4.940 1.00 0.00 H new ATOM 0 HB3 HIS A 30 4.042 -2.451 4.626 1.00 0.00 H new ATOM 0 HD2 HIS A 30 5.194 -1.945 7.031 1.00 0.00 H new ATOM 0 HE1 HIS A 30 2.177 0.545 8.669 1.00 0.00 H new ATOM 0 HE2 HIS A 30 4.471 -0.486 9.066 1.00 0.00 H new ATOM 448 N CYS A 31 2.841 -2.445 1.885 1.00 0.00 N ATOM 449 CA CYS A 31 3.347 -2.965 0.621 1.00 0.00 C ATOM 450 C CYS A 31 2.276 -2.893 -0.464 1.00 0.00 C ATOM 451 O CYS A 31 2.518 -3.258 -1.615 1.00 0.00 O ATOM 452 CB CYS A 31 3.817 -4.411 0.792 1.00 0.00 C ATOM 453 SG CYS A 31 2.573 -5.515 1.534 1.00 0.00 S ATOM 0 H CYS A 31 2.049 -2.962 2.267 1.00 0.00 H new ATOM 0 HA CYS A 31 4.192 -2.348 0.315 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.103 -4.806 -0.183 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.712 -4.420 1.414 1.00 0.00 H new ATOM 458 N ASP A 32 1.093 -2.419 -0.089 1.00 0.00 N ATOM 459 CA ASP A 32 -0.015 -2.297 -1.030 1.00 0.00 C ATOM 460 C ASP A 32 -0.458 -3.669 -1.528 1.00 0.00 C ATOM 461 O ASP A 32 -0.747 -3.847 -2.712 1.00 0.00 O ATOM 462 CB ASP A 32 0.388 -1.416 -2.214 1.00 0.00 C ATOM 463 CG ASP A 32 0.059 0.046 -1.985 1.00 0.00 C ATOM 464 OD1 ASP A 32 0.292 0.538 -0.862 1.00 0.00 O ATOM 465 OD2 ASP A 32 -0.433 0.699 -2.930 1.00 0.00 O ATOM 0 H ASP A 32 0.876 -2.113 0.860 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.852 -1.832 -0.510 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.458 -1.521 -2.394 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.122 -1.764 -3.112 1.00 0.00 H new ATOM 470 N SER A 33 -0.509 -4.636 -0.618 1.00 0.00 N ATOM 471 CA SER A 33 -0.912 -5.993 -0.966 1.00 0.00 C ATOM 472 C SER A 33 -2.408 -6.190 -0.740 1.00 0.00 C ATOM 473 O SER A 33 -3.101 -5.288 -0.269 1.00 0.00 O ATOM 474 CB SER A 33 -0.121 -7.010 -0.141 1.00 0.00 C ATOM 475 OG SER A 33 -0.348 -6.828 1.246 1.00 0.00 O ATOM 0 H SER A 33 -0.276 -4.505 0.366 1.00 0.00 H new ATOM 0 HA SER A 33 -0.698 -6.149 -2.023 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.409 -8.021 -0.430 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.943 -6.908 -0.355 1.00 0.00 H new ATOM 0 HG SER A 33 0.439 -6.409 1.654 1.00 0.00 H new ATOM 481 N LYS A 34 -2.900 -7.377 -1.079 1.00 0.00 N ATOM 482 CA LYS A 34 -4.313 -7.696 -0.913 1.00 0.00 C ATOM 483 C LYS A 34 -4.489 -9.008 -0.155 1.00 0.00 C ATOM 484 O LYS A 34 -4.034 -10.062 -0.603 1.00 0.00 O ATOM 485 CB LYS A 34 -5.000 -7.787 -2.277 1.00 0.00 C ATOM 486 CG LYS A 34 -5.419 -6.439 -2.837 1.00 0.00 C ATOM 487 CD LYS A 34 -6.483 -6.588 -3.912 1.00 0.00 C ATOM 488 CE LYS A 34 -5.865 -6.869 -5.273 1.00 0.00 C ATOM 489 NZ LYS A 34 -6.901 -7.029 -6.331 1.00 0.00 N ATOM 0 H LYS A 34 -2.340 -8.134 -1.471 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.775 -6.897 -0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.325 -8.271 -2.983 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.880 -8.424 -2.190 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.800 -5.812 -2.031 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.549 -5.930 -3.253 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.161 -7.399 -3.645 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.080 -5.677 -3.963 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.194 -6.053 -5.542 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.260 -7.774 -5.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.439 -7.219 -7.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.526 -7.823 -6.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.462 -6.156 -6.402 1.00 0.00 H new ATOM 503 N LEU A 35 -5.152 -8.938 0.993 1.00 0.00 N ATOM 504 CA LEU A 35 -5.390 -10.122 1.813 1.00 0.00 C ATOM 505 C LEU A 35 -6.884 -10.391 1.960 1.00 0.00 C ATOM 506 O LEU A 35 -7.687 -9.461 2.035 1.00 0.00 O ATOM 507 CB LEU A 35 -4.754 -9.947 3.193 1.00 0.00 C ATOM 508 CG LEU A 35 -3.233 -10.097 3.255 1.00 0.00 C ATOM 509 CD1 LEU A 35 -2.570 -9.271 2.163 1.00 0.00 C ATOM 510 CD2 LEU A 35 -2.712 -9.690 4.625 1.00 0.00 C ATOM 0 H LEU A 35 -5.535 -8.075 1.378 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.933 -10.977 1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.017 -8.959 3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.199 -10.675 3.871 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.984 -11.145 3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.488 -9.390 2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.919 -9.610 1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.827 -8.220 2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.628 -9.803 4.650 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.973 -8.650 4.819 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.161 -10.325 5.389 1.00 0.00 H new ATOM 522 N GLN A 36 -7.249 -11.668 2.002 1.00 0.00 N ATOM 523 CA GLN A 36 -8.647 -12.059 2.142 1.00 0.00 C ATOM 524 C GLN A 36 -9.318 -11.285 3.272 1.00 0.00 C ATOM 525 O GLN A 36 -10.367 -10.671 3.080 1.00 0.00 O ATOM 526 CB GLN A 36 -8.754 -13.562 2.404 1.00 0.00 C ATOM 527 CG GLN A 36 -8.821 -14.397 1.135 1.00 0.00 C ATOM 528 CD GLN A 36 -7.452 -14.832 0.650 1.00 0.00 C ATOM 529 OE1 GLN A 36 -7.055 -15.984 0.827 1.00 0.00 O ATOM 530 NE2 GLN A 36 -6.722 -13.910 0.034 1.00 0.00 N ATOM 0 H GLN A 36 -6.596 -12.450 1.941 1.00 0.00 H new ATOM 0 HA GLN A 36 -9.160 -11.822 1.210 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.895 -13.882 2.995 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.643 -13.756 3.004 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.435 -15.279 1.317 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.314 -13.822 0.351 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.091 -12.967 -0.091 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.792 -14.144 -0.314 1.00 0.00 H new ATOM 539 N SER A 37 -8.705 -11.319 4.452 1.00 0.00 N ATOM 540 CA SER A 37 -9.246 -10.624 5.614 1.00 0.00 C ATOM 541 C SER A 37 -8.195 -10.506 6.714 1.00 0.00 C ATOM 542 O SER A 37 -7.076 -11.002 6.576 1.00 0.00 O ATOM 543 CB SER A 37 -10.478 -11.359 6.147 1.00 0.00 C ATOM 544 OG SER A 37 -11.294 -10.494 6.916 1.00 0.00 O ATOM 0 H SER A 37 -7.834 -11.820 4.628 1.00 0.00 H new ATOM 0 HA SER A 37 -9.537 -9.620 5.303 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.054 -11.762 5.314 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.164 -12.206 6.757 1.00 0.00 H new ATOM 0 HG SER A 37 -11.136 -9.566 6.643 1.00 0.00 H new ATOM 550 N THR A 38 -8.563 -9.846 7.807 1.00 0.00 N ATOM 551 CA THR A 38 -7.654 -9.661 8.931 1.00 0.00 C ATOM 552 C THR A 38 -6.864 -10.934 9.215 1.00 0.00 C ATOM 553 O THR A 38 -5.636 -10.909 9.293 1.00 0.00 O ATOM 554 CB THR A 38 -8.413 -9.247 10.206 1.00 0.00 C ATOM 555 OG1 THR A 38 -9.245 -8.113 9.934 1.00 0.00 O ATOM 556 CG2 THR A 38 -7.442 -8.912 11.329 1.00 0.00 C ATOM 0 H THR A 38 -9.485 -9.430 7.938 1.00 0.00 H new ATOM 0 HA THR A 38 -6.965 -8.864 8.652 1.00 0.00 H new ATOM 0 HB THR A 38 -9.034 -10.086 10.522 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.064 -7.784 9.029 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.001 -8.622 12.219 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.830 -9.785 11.553 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.799 -8.088 11.020 1.00 0.00 H new ATOM 564 N ALA A 39 -7.577 -12.045 9.367 1.00 0.00 N ATOM 565 CA ALA A 39 -6.942 -13.329 9.639 1.00 0.00 C ATOM 566 C ALA A 39 -5.615 -13.453 8.897 1.00 0.00 C ATOM 567 O ALA A 39 -4.646 -13.996 9.427 1.00 0.00 O ATOM 568 CB ALA A 39 -7.872 -14.470 9.257 1.00 0.00 C ATOM 0 H ALA A 39 -8.595 -12.082 9.306 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.737 -13.386 10.708 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.384 -15.422 9.466 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.792 -14.399 9.837 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.107 -14.408 8.194 1.00 0.00 H new ATOM 574 N GLU A 40 -5.581 -12.948 7.668 1.00 0.00 N ATOM 575 CA GLU A 40 -4.373 -13.005 6.853 1.00 0.00 C ATOM 576 C GLU A 40 -3.425 -11.863 7.204 1.00 0.00 C ATOM 577 O GLU A 40 -2.208 -12.046 7.263 1.00 0.00 O ATOM 578 CB GLU A 40 -4.731 -12.947 5.366 1.00 0.00 C ATOM 579 CG GLU A 40 -4.956 -14.313 4.740 1.00 0.00 C ATOM 580 CD GLU A 40 -5.046 -14.253 3.227 1.00 0.00 C ATOM 581 OE1 GLU A 40 -4.500 -13.297 2.638 1.00 0.00 O ATOM 582 OE2 GLU A 40 -5.662 -15.162 2.633 1.00 0.00 O ATOM 0 H GLU A 40 -6.375 -12.495 7.215 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.869 -13.949 7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.632 -12.347 5.241 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.932 -12.437 4.828 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.141 -14.978 5.026 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.874 -14.744 5.138 1.00 0.00 H new ATOM 589 N LEU A 41 -3.990 -10.683 7.437 1.00 0.00 N ATOM 590 CA LEU A 41 -3.196 -9.509 7.782 1.00 0.00 C ATOM 591 C LEU A 41 -2.403 -9.746 9.063 1.00 0.00 C ATOM 592 O LEU A 41 -1.195 -9.511 9.112 1.00 0.00 O ATOM 593 CB LEU A 41 -4.102 -8.287 7.948 1.00 0.00 C ATOM 594 CG LEU A 41 -3.454 -6.930 7.674 1.00 0.00 C ATOM 595 CD1 LEU A 41 -3.064 -6.811 6.209 1.00 0.00 C ATOM 596 CD2 LEU A 41 -4.394 -5.801 8.071 1.00 0.00 C ATOM 0 H LEU A 41 -4.995 -10.514 7.393 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.493 -9.325 6.970 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.957 -8.400 7.281 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.490 -8.283 8.967 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.549 -6.852 8.277 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.604 -5.839 6.033 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.355 -7.599 5.956 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.953 -6.910 5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.917 -4.842 7.869 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.316 -5.876 7.495 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.623 -5.875 9.134 1.00 0.00 H new ATOM 608 N THR A 42 -3.090 -10.215 10.101 1.00 0.00 N ATOM 609 CA THR A 42 -2.450 -10.485 11.382 1.00 0.00 C ATOM 610 C THR A 42 -1.142 -11.246 11.194 1.00 0.00 C ATOM 611 O THR A 42 -0.177 -11.031 11.927 1.00 0.00 O ATOM 612 CB THR A 42 -3.373 -11.296 12.311 1.00 0.00 C ATOM 613 OG1 THR A 42 -4.651 -10.658 12.410 1.00 0.00 O ATOM 614 CG2 THR A 42 -2.761 -11.433 13.697 1.00 0.00 C ATOM 0 H THR A 42 -4.090 -10.415 10.079 1.00 0.00 H new ATOM 0 HA THR A 42 -2.242 -9.519 11.841 1.00 0.00 H new ATOM 0 HB THR A 42 -3.496 -12.292 11.885 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.233 -11.181 13.001 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.431 -12.009 14.335 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.802 -11.945 13.622 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.612 -10.443 14.128 1.00 0.00 H new ATOM 622 N SER A 43 -1.117 -12.136 10.207 1.00 0.00 N ATOM 623 CA SER A 43 0.072 -12.931 9.925 1.00 0.00 C ATOM 624 C SER A 43 1.026 -12.174 9.005 1.00 0.00 C ATOM 625 O SER A 43 2.236 -12.148 9.233 1.00 0.00 O ATOM 626 CB SER A 43 -0.320 -14.264 9.285 1.00 0.00 C ATOM 627 OG SER A 43 -1.294 -14.937 10.065 1.00 0.00 O ATOM 0 H SER A 43 -1.907 -12.324 9.589 1.00 0.00 H new ATOM 0 HA SER A 43 0.582 -13.125 10.869 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.710 -14.089 8.282 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.563 -14.894 9.178 1.00 0.00 H new ATOM 0 HG SER A 43 -1.529 -15.785 9.634 1.00 0.00 H new ATOM 633 N HIS A 44 0.472 -11.560 7.965 1.00 0.00 N ATOM 634 CA HIS A 44 1.273 -10.801 7.010 1.00 0.00 C ATOM 635 C HIS A 44 2.000 -9.652 7.703 1.00 0.00 C ATOM 636 O HIS A 44 3.230 -9.590 7.698 1.00 0.00 O ATOM 637 CB HIS A 44 0.387 -10.258 5.888 1.00 0.00 C ATOM 638 CG HIS A 44 1.085 -9.277 4.997 1.00 0.00 C ATOM 639 ND1 HIS A 44 2.046 -9.646 4.080 1.00 0.00 N ATOM 640 CD2 HIS A 44 0.955 -7.935 4.884 1.00 0.00 C ATOM 641 CE1 HIS A 44 2.479 -8.572 3.442 1.00 0.00 C ATOM 642 NE2 HIS A 44 1.832 -7.521 3.912 1.00 0.00 N ATOM 0 H HIS A 44 -0.527 -11.573 7.762 1.00 0.00 H new ATOM 0 HA HIS A 44 2.017 -11.472 6.582 1.00 0.00 H new ATOM 0 HB2 HIS A 44 0.026 -11.091 5.285 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.489 -9.779 6.327 1.00 0.00 H new ATOM 0 HD1 HIS A 44 2.372 -10.599 3.919 1.00 0.00 H new ATOM 0 HD2 HIS A 44 0.286 -7.306 5.453 1.00 0.00 H new ATOM 0 HE1 HIS A 44 3.233 -8.557 2.669 1.00 0.00 H new ATOM 650 N LEU A 45 1.232 -8.745 8.297 1.00 0.00 N ATOM 651 CA LEU A 45 1.803 -7.598 8.993 1.00 0.00 C ATOM 652 C LEU A 45 3.008 -8.013 9.831 1.00 0.00 C ATOM 653 O LEU A 45 4.079 -7.416 9.734 1.00 0.00 O ATOM 654 CB LEU A 45 0.748 -6.942 9.886 1.00 0.00 C ATOM 655 CG LEU A 45 -0.153 -5.907 9.211 1.00 0.00 C ATOM 656 CD1 LEU A 45 -1.306 -5.526 10.126 1.00 0.00 C ATOM 657 CD2 LEU A 45 0.649 -4.675 8.819 1.00 0.00 C ATOM 0 H LEU A 45 0.213 -8.782 8.310 1.00 0.00 H new ATOM 0 HA LEU A 45 2.135 -6.879 8.244 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.117 -7.726 10.305 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.256 -6.462 10.722 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.566 -6.350 8.305 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.936 -4.789 9.629 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.897 -6.413 10.356 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.913 -5.103 11.050 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.009 -3.950 8.340 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.092 -4.230 9.710 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.440 -4.961 8.125 1.00 0.00 H new ATOM 669 N ASN A 46 2.825 -9.042 10.652 1.00 0.00 N ATOM 670 CA ASN A 46 3.897 -9.539 11.506 1.00 0.00 C ATOM 671 C ASN A 46 5.235 -9.506 10.773 1.00 0.00 C ATOM 672 O ASN A 46 6.262 -9.148 11.351 1.00 0.00 O ATOM 673 CB ASN A 46 3.591 -10.965 11.968 1.00 0.00 C ATOM 674 CG ASN A 46 2.696 -10.996 13.192 1.00 0.00 C ATOM 675 OD1 ASN A 46 2.774 -10.121 14.054 1.00 0.00 O ATOM 676 ND2 ASN A 46 1.841 -12.009 13.274 1.00 0.00 N ATOM 0 H ASN A 46 1.944 -9.548 10.744 1.00 0.00 H new ATOM 0 HA ASN A 46 3.964 -8.889 12.378 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.111 -11.512 11.156 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.525 -11.480 12.191 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.214 -12.084 14.075 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.811 -12.712 12.536 1.00 0.00 H new ATOM 683 N ILE A 47 5.215 -9.882 9.499 1.00 0.00 N ATOM 684 CA ILE A 47 6.425 -9.894 8.687 1.00 0.00 C ATOM 685 C ILE A 47 7.140 -8.548 8.745 1.00 0.00 C ATOM 686 O ILE A 47 8.348 -8.484 8.972 1.00 0.00 O ATOM 687 CB ILE A 47 6.114 -10.234 7.218 1.00 0.00 C ATOM 688 CG1 ILE A 47 5.439 -11.604 7.120 1.00 0.00 C ATOM 689 CG2 ILE A 47 7.388 -10.206 6.386 1.00 0.00 C ATOM 690 CD1 ILE A 47 4.722 -11.832 5.808 1.00 0.00 C ATOM 0 H ILE A 47 4.374 -10.182 9.007 1.00 0.00 H new ATOM 0 HA ILE A 47 7.074 -10.666 9.100 1.00 0.00 H new ATOM 0 HB ILE A 47 5.429 -9.483 6.825 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.192 -12.381 7.253 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.725 -11.708 7.937 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.151 -10.448 5.350 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.832 -9.212 6.434 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.094 -10.938 6.778 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.268 -12.823 5.809 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.946 -11.077 5.681 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.435 -11.761 4.987 1.00 0.00 H new ATOM 702 N HIS A 48 6.384 -7.474 8.541 1.00 0.00 N ATOM 703 CA HIS A 48 6.944 -6.128 8.573 1.00 0.00 C ATOM 704 C HIS A 48 7.684 -5.878 9.884 1.00 0.00 C ATOM 705 O HIS A 48 8.786 -5.332 9.891 1.00 0.00 O ATOM 706 CB HIS A 48 5.839 -5.088 8.391 1.00 0.00 C ATOM 707 CG HIS A 48 5.275 -5.049 7.004 1.00 0.00 C ATOM 708 ND1 HIS A 48 6.025 -5.316 5.879 1.00 0.00 N ATOM 709 CD2 HIS A 48 4.024 -4.775 6.564 1.00 0.00 C ATOM 710 CE1 HIS A 48 5.262 -5.205 4.806 1.00 0.00 C ATOM 711 NE2 HIS A 48 4.043 -4.878 5.195 1.00 0.00 N ATOM 0 H HIS A 48 5.382 -7.510 8.352 1.00 0.00 H new ATOM 0 HA HIS A 48 7.655 -6.038 7.752 1.00 0.00 H new ATOM 0 HB2 HIS A 48 5.034 -5.298 9.096 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.233 -4.103 8.642 1.00 0.00 H new ATOM 0 HD1 HIS A 48 7.015 -5.561 5.875 1.00 0.00 H new ATOM 0 HD2 HIS A 48 3.171 -4.523 7.176 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.581 -5.356 3.785 1.00 0.00 H new ATOM 719 N ASN A 49 7.068 -6.280 10.991 1.00 0.00 N ATOM 720 CA ASN A 49 7.667 -6.098 12.308 1.00 0.00 C ATOM 721 C ASN A 49 9.084 -6.663 12.344 1.00 0.00 C ATOM 722 O ASN A 49 10.038 -5.953 12.660 1.00 0.00 O ATOM 723 CB ASN A 49 6.809 -6.774 13.379 1.00 0.00 C ATOM 724 CG ASN A 49 5.443 -6.131 13.517 1.00 0.00 C ATOM 725 OD1 ASN A 49 5.103 -5.205 12.780 1.00 0.00 O ATOM 726 ND2 ASN A 49 4.652 -6.620 14.465 1.00 0.00 N ATOM 0 H ASN A 49 6.155 -6.734 11.002 1.00 0.00 H new ATOM 0 HA ASN A 49 7.716 -5.029 12.513 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.688 -7.828 13.131 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.327 -6.729 14.337 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.721 -6.227 14.605 1.00 0.00 H new ATOM 0 HD22 ASN A 49 4.975 -7.388 15.053 1.00 0.00 H new ATOM 733 N GLU A 50 9.213 -7.945 12.016 1.00 0.00 N ATOM 734 CA GLU A 50 10.513 -8.605 12.011 1.00 0.00 C ATOM 735 C GLU A 50 11.503 -7.850 11.128 1.00 0.00 C ATOM 736 O GLU A 50 12.708 -7.865 11.376 1.00 0.00 O ATOM 737 CB GLU A 50 10.375 -10.048 11.523 1.00 0.00 C ATOM 738 CG GLU A 50 9.446 -10.894 12.377 1.00 0.00 C ATOM 739 CD GLU A 50 10.010 -11.166 13.758 1.00 0.00 C ATOM 740 OE1 GLU A 50 11.073 -11.815 13.848 1.00 0.00 O ATOM 741 OE2 GLU A 50 9.388 -10.730 14.749 1.00 0.00 O ATOM 0 H GLU A 50 8.433 -8.547 11.750 1.00 0.00 H new ATOM 0 HA GLU A 50 10.894 -8.609 13.032 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.007 -10.042 10.497 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.361 -10.512 11.505 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.486 -10.387 12.474 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.257 -11.842 11.873 1.00 0.00 H new ATOM 748 N GLU A 51 10.983 -7.191 10.097 1.00 0.00 N ATOM 749 CA GLU A 51 11.822 -6.431 9.176 1.00 0.00 C ATOM 750 C GLU A 51 12.212 -5.086 9.780 1.00 0.00 C ATOM 751 O GLU A 51 13.310 -4.581 9.544 1.00 0.00 O ATOM 752 CB GLU A 51 11.093 -6.215 7.848 1.00 0.00 C ATOM 753 CG GLU A 51 10.824 -7.501 7.085 1.00 0.00 C ATOM 754 CD GLU A 51 12.059 -8.031 6.383 1.00 0.00 C ATOM 755 OE1 GLU A 51 12.329 -7.592 5.245 1.00 0.00 O ATOM 756 OE2 GLU A 51 12.755 -8.885 6.970 1.00 0.00 O ATOM 0 H GLU A 51 9.987 -7.168 9.878 1.00 0.00 H new ATOM 0 HA GLU A 51 12.731 -7.005 8.994 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.145 -5.712 8.041 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.686 -5.548 7.222 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.450 -8.257 7.775 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.039 -7.325 6.349 1.00 0.00 H new ATOM 763 N PHE A 52 11.305 -4.509 10.561 1.00 0.00 N ATOM 764 CA PHE A 52 11.552 -3.221 11.198 1.00 0.00 C ATOM 765 C PHE A 52 12.528 -3.368 12.362 1.00 0.00 C ATOM 766 O PHE A 52 13.467 -2.585 12.501 1.00 0.00 O ATOM 767 CB PHE A 52 10.239 -2.612 11.693 1.00 0.00 C ATOM 768 CG PHE A 52 10.424 -1.349 12.486 1.00 0.00 C ATOM 769 CD1 PHE A 52 10.806 -0.173 11.862 1.00 0.00 C ATOM 770 CD2 PHE A 52 10.217 -1.340 13.856 1.00 0.00 C ATOM 771 CE1 PHE A 52 10.977 0.990 12.588 1.00 0.00 C ATOM 772 CE2 PHE A 52 10.387 -0.179 14.588 1.00 0.00 C ATOM 773 CZ PHE A 52 10.768 0.987 13.953 1.00 0.00 C ATOM 0 H PHE A 52 10.392 -4.913 10.768 1.00 0.00 H new ATOM 0 HA PHE A 52 11.995 -2.557 10.456 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.599 -2.403 10.836 1.00 0.00 H new ATOM 0 HB3 PHE A 52 9.717 -3.345 12.309 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.972 -0.165 10.795 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.920 -2.249 14.357 1.00 0.00 H new ATOM 0 HE1 PHE A 52 11.274 1.900 12.089 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.222 -0.184 15.655 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.902 1.895 14.523 1.00 0.00 H new ATOM 783 N GLN A 53 12.297 -4.377 13.196 1.00 0.00 N ATOM 784 CA GLN A 53 13.154 -4.627 14.349 1.00 0.00 C ATOM 785 C GLN A 53 14.612 -4.765 13.923 1.00 0.00 C ATOM 786 O GLN A 53 15.518 -4.287 14.606 1.00 0.00 O ATOM 787 CB GLN A 53 12.703 -5.891 15.082 1.00 0.00 C ATOM 788 CG GLN A 53 12.502 -7.087 14.166 1.00 0.00 C ATOM 789 CD GLN A 53 13.758 -7.923 14.014 1.00 0.00 C ATOM 790 OE1 GLN A 53 14.870 -7.438 14.221 1.00 0.00 O ATOM 791 NE2 GLN A 53 13.586 -9.189 13.651 1.00 0.00 N ATOM 0 H GLN A 53 11.524 -5.034 13.095 1.00 0.00 H new ATOM 0 HA GLN A 53 13.070 -3.775 15.024 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.444 -6.145 15.840 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.770 -5.684 15.605 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.700 -7.711 14.560 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.181 -6.738 13.184 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.646 -9.550 13.490 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.394 -9.800 13.534 1.00 0.00 H new ATOM 800 N LYS A 54 14.833 -5.422 12.789 1.00 0.00 N ATOM 801 CA LYS A 54 16.181 -5.622 12.270 1.00 0.00 C ATOM 802 C LYS A 54 16.713 -4.344 11.631 1.00 0.00 C ATOM 803 O LYS A 54 17.874 -3.980 11.822 1.00 0.00 O ATOM 804 CB LYS A 54 16.191 -6.760 11.247 1.00 0.00 C ATOM 805 CG LYS A 54 17.514 -7.502 11.176 1.00 0.00 C ATOM 806 CD LYS A 54 17.465 -8.634 10.163 1.00 0.00 C ATOM 807 CE LYS A 54 17.003 -9.934 10.801 1.00 0.00 C ATOM 808 NZ LYS A 54 18.143 -10.714 11.359 1.00 0.00 N ATOM 0 H LYS A 54 14.095 -5.825 12.212 1.00 0.00 H new ATOM 0 HA LYS A 54 16.830 -5.886 13.105 1.00 0.00 H new ATOM 0 HB2 LYS A 54 15.400 -7.468 11.495 1.00 0.00 H new ATOM 0 HB3 LYS A 54 15.958 -6.354 10.262 1.00 0.00 H new ATOM 0 HG2 LYS A 54 18.309 -6.806 10.907 1.00 0.00 H new ATOM 0 HG3 LYS A 54 17.761 -7.903 12.159 1.00 0.00 H new ATOM 0 HD2 LYS A 54 16.790 -8.367 9.350 1.00 0.00 H new ATOM 0 HD3 LYS A 54 18.453 -8.774 9.724 1.00 0.00 H new ATOM 0 HE2 LYS A 54 16.289 -9.715 11.595 1.00 0.00 H new ATOM 0 HE3 LYS A 54 16.479 -10.537 10.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 17.787 -11.593 11.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 18.812 -10.945 10.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 18.628 -10.149 12.085 1.00 0.00 H new ATOM 822 N ARG A 55 15.858 -3.666 10.873 1.00 0.00 N ATOM 823 CA ARG A 55 16.243 -2.428 10.206 1.00 0.00 C ATOM 824 C ARG A 55 16.956 -1.488 11.174 1.00 0.00 C ATOM 825 O ARG A 55 17.967 -0.877 10.830 1.00 0.00 O ATOM 826 CB ARG A 55 15.012 -1.736 9.618 1.00 0.00 C ATOM 827 CG ARG A 55 15.287 -0.328 9.116 1.00 0.00 C ATOM 828 CD ARG A 55 15.105 0.703 10.219 1.00 0.00 C ATOM 829 NE ARG A 55 13.747 1.237 10.250 1.00 0.00 N ATOM 830 CZ ARG A 55 13.340 2.256 9.500 1.00 0.00 C ATOM 831 NH1 ARG A 55 14.184 2.846 8.664 1.00 0.00 N ATOM 832 NH2 ARG A 55 12.088 2.685 9.584 1.00 0.00 N ATOM 0 H ARG A 55 14.894 -3.953 10.705 1.00 0.00 H new ATOM 0 HA ARG A 55 16.930 -2.678 9.398 1.00 0.00 H new ATOM 0 HB2 ARG A 55 14.626 -2.337 8.795 1.00 0.00 H new ATOM 0 HB3 ARG A 55 14.231 -1.696 10.377 1.00 0.00 H new ATOM 0 HG2 ARG A 55 16.304 -0.271 8.728 1.00 0.00 H new ATOM 0 HG3 ARG A 55 14.616 -0.098 8.288 1.00 0.00 H new ATOM 0 HD2 ARG A 55 15.338 0.249 11.182 1.00 0.00 H new ATOM 0 HD3 ARG A 55 15.812 1.519 10.072 1.00 0.00 H new ATOM 0 HE ARG A 55 13.073 0.804 10.882 1.00 0.00 H new ATOM 0 HH11 ARG A 55 15.147 2.518 8.596 1.00 0.00 H new ATOM 0 HH12 ARG A 55 13.870 3.628 8.089 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.436 2.233 10.225 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.777 3.467 9.008 1.00 0.00 H new ATOM 846 N ALA A 56 16.420 -1.378 12.385 1.00 0.00 N ATOM 847 CA ALA A 56 17.005 -0.514 13.403 1.00 0.00 C ATOM 848 C ALA A 56 18.528 -0.546 13.342 1.00 0.00 C ATOM 849 O ALA A 56 19.185 0.492 13.424 1.00 0.00 O ATOM 850 CB ALA A 56 16.521 -0.925 14.786 1.00 0.00 C ATOM 0 H ALA A 56 15.582 -1.876 12.685 1.00 0.00 H new ATOM 0 HA ALA A 56 16.682 0.508 13.206 1.00 0.00 H new ATOM 0 HB1 ALA A 56 16.966 -0.271 15.536 1.00 0.00 H new ATOM 0 HB2 ALA A 56 15.435 -0.843 14.831 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.815 -1.956 14.983 1.00 0.00 H new ATOM 856 N LYS A 57 19.084 -1.744 13.198 1.00 0.00 N ATOM 857 CA LYS A 57 20.531 -1.913 13.125 1.00 0.00 C ATOM 858 C LYS A 57 21.043 -1.615 11.719 1.00 0.00 C ATOM 859 O LYS A 57 21.900 -2.328 11.197 1.00 0.00 O ATOM 860 CB LYS A 57 20.920 -3.336 13.530 1.00 0.00 C ATOM 861 CG LYS A 57 22.386 -3.484 13.901 1.00 0.00 C ATOM 862 CD LYS A 57 22.694 -2.818 15.232 1.00 0.00 C ATOM 863 CE LYS A 57 22.353 -3.727 16.402 1.00 0.00 C ATOM 864 NZ LYS A 57 20.902 -3.684 16.734 1.00 0.00 N ATOM 0 H LYS A 57 18.554 -2.613 13.129 1.00 0.00 H new ATOM 0 HA LYS A 57 20.990 -1.207 13.817 1.00 0.00 H new ATOM 0 HB2 LYS A 57 20.307 -3.644 14.377 1.00 0.00 H new ATOM 0 HB3 LYS A 57 20.692 -4.014 12.708 1.00 0.00 H new ATOM 0 HG2 LYS A 57 22.644 -4.542 13.954 1.00 0.00 H new ATOM 0 HG3 LYS A 57 23.006 -3.043 13.120 1.00 0.00 H new ATOM 0 HD2 LYS A 57 23.751 -2.553 15.272 1.00 0.00 H new ATOM 0 HD3 LYS A 57 22.129 -1.889 15.315 1.00 0.00 H new ATOM 0 HE2 LYS A 57 22.640 -4.751 16.162 1.00 0.00 H new ATOM 0 HE3 LYS A 57 22.934 -3.429 17.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 20.783 -3.657 17.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 20.475 -2.834 16.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 20.434 -4.531 16.354 1.00 0.00 H new ATOM 878 N ARG A 58 20.513 -0.558 11.112 1.00 0.00 N ATOM 879 CA ARG A 58 20.917 -0.167 9.767 1.00 0.00 C ATOM 880 C ARG A 58 21.165 -1.395 8.895 1.00 0.00 C ATOM 881 O ARG A 58 22.161 -1.465 8.176 1.00 0.00 O ATOM 882 CB ARG A 58 22.179 0.696 9.822 1.00 0.00 C ATOM 883 CG ARG A 58 21.902 2.163 10.104 1.00 0.00 C ATOM 884 CD ARG A 58 23.171 2.906 10.492 1.00 0.00 C ATOM 885 NE ARG A 58 24.081 3.063 9.360 1.00 0.00 N ATOM 886 CZ ARG A 58 24.995 4.023 9.280 1.00 0.00 C ATOM 887 NH1 ARG A 58 25.121 4.907 10.261 1.00 0.00 N ATOM 888 NH2 ARG A 58 25.786 4.100 8.218 1.00 0.00 N ATOM 0 H ARG A 58 19.803 0.043 11.530 1.00 0.00 H new ATOM 0 HA ARG A 58 20.107 0.413 9.325 1.00 0.00 H new ATOM 0 HB2 ARG A 58 22.843 0.306 10.594 1.00 0.00 H new ATOM 0 HB3 ARG A 58 22.709 0.611 8.873 1.00 0.00 H new ATOM 0 HG2 ARG A 58 21.463 2.628 9.221 1.00 0.00 H new ATOM 0 HG3 ARG A 58 21.170 2.248 10.907 1.00 0.00 H new ATOM 0 HD2 ARG A 58 22.910 3.888 10.886 1.00 0.00 H new ATOM 0 HD3 ARG A 58 23.677 2.366 11.292 1.00 0.00 H new ATOM 0 HE ARG A 58 24.010 2.399 8.589 1.00 0.00 H new ATOM 0 HH11 ARG A 58 24.515 4.850 11.079 1.00 0.00 H new ATOM 0 HH12 ARG A 58 25.824 5.643 10.197 1.00 0.00 H new ATOM 0 HH21 ARG A 58 25.692 3.422 7.462 1.00 0.00 H new ATOM 0 HH22 ARG A 58 26.488 4.838 8.157 1.00 0.00 H new ATOM 902 N GLN A 59 20.253 -2.359 8.967 1.00 0.00 N ATOM 903 CA GLN A 59 20.374 -3.584 8.185 1.00 0.00 C ATOM 904 C GLN A 59 19.590 -3.477 6.881 1.00 0.00 C ATOM 905 O GLN A 59 18.464 -3.964 6.781 1.00 0.00 O ATOM 906 CB GLN A 59 19.877 -4.782 8.995 1.00 0.00 C ATOM 907 CG GLN A 59 20.504 -6.102 8.575 1.00 0.00 C ATOM 908 CD GLN A 59 22.009 -6.118 8.757 1.00 0.00 C ATOM 909 OE1 GLN A 59 22.510 -6.366 9.854 1.00 0.00 O ATOM 910 NE2 GLN A 59 22.738 -5.853 7.680 1.00 0.00 N ATOM 0 H GLN A 59 19.423 -2.316 9.558 1.00 0.00 H new ATOM 0 HA GLN A 59 21.427 -3.729 7.944 1.00 0.00 H new ATOM 0 HB2 GLN A 59 20.087 -4.609 10.050 1.00 0.00 H new ATOM 0 HB3 GLN A 59 18.794 -4.855 8.893 1.00 0.00 H new ATOM 0 HG2 GLN A 59 20.063 -6.911 9.158 1.00 0.00 H new ATOM 0 HG3 GLN A 59 20.266 -6.296 7.529 1.00 0.00 H new ATOM 0 HE21 GLN A 59 22.280 -5.653 6.791 1.00 0.00 H new ATOM 0 HE22 GLN A 59 23.756 -5.849 7.742 1.00 0.00 H new ATOM 919 N GLU A 60 20.192 -2.835 5.885 1.00 0.00 N ATOM 920 CA GLU A 60 19.549 -2.664 4.587 1.00 0.00 C ATOM 921 C GLU A 60 20.520 -2.976 3.453 1.00 0.00 C ATOM 922 O GLU A 60 21.651 -2.490 3.438 1.00 0.00 O ATOM 923 CB GLU A 60 19.018 -1.236 4.441 1.00 0.00 C ATOM 924 CG GLU A 60 17.991 -0.858 5.494 1.00 0.00 C ATOM 925 CD GLU A 60 18.575 -0.824 6.893 1.00 0.00 C ATOM 926 OE1 GLU A 60 19.509 -0.028 7.127 1.00 0.00 O ATOM 927 OE2 GLU A 60 18.099 -1.593 7.754 1.00 0.00 O ATOM 0 H GLU A 60 21.124 -2.425 5.952 1.00 0.00 H new ATOM 0 HA GLU A 60 18.714 -3.362 4.529 1.00 0.00 H new ATOM 0 HB2 GLU A 60 19.854 -0.539 4.495 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.572 -1.123 3.453 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.574 0.120 5.255 1.00 0.00 H new ATOM 0 HG3 GLU A 60 17.167 -1.571 5.465 1.00 0.00 H new ATOM 934 N ARG A 61 20.070 -3.792 2.504 1.00 0.00 N ATOM 935 CA ARG A 61 20.899 -4.171 1.367 1.00 0.00 C ATOM 936 C ARG A 61 20.346 -3.585 0.071 1.00 0.00 C ATOM 937 O ARG A 61 21.045 -2.870 -0.647 1.00 0.00 O ATOM 938 CB ARG A 61 20.983 -5.695 1.255 1.00 0.00 C ATOM 939 CG ARG A 61 22.105 -6.178 0.350 1.00 0.00 C ATOM 940 CD ARG A 61 23.451 -6.123 1.055 1.00 0.00 C ATOM 941 NE ARG A 61 24.553 -6.459 0.157 1.00 0.00 N ATOM 942 CZ ARG A 61 25.066 -5.610 -0.726 1.00 0.00 C ATOM 943 NH1 ARG A 61 24.580 -4.381 -0.829 1.00 0.00 N ATOM 944 NH2 ARG A 61 26.068 -5.990 -1.508 1.00 0.00 N ATOM 0 H ARG A 61 19.136 -4.203 2.501 1.00 0.00 H new ATOM 0 HA ARG A 61 21.899 -3.770 1.529 1.00 0.00 H new ATOM 0 HB2 ARG A 61 21.123 -6.117 2.250 1.00 0.00 H new ATOM 0 HB3 ARG A 61 20.034 -6.076 0.878 1.00 0.00 H new ATOM 0 HG2 ARG A 61 21.902 -7.200 0.030 1.00 0.00 H new ATOM 0 HG3 ARG A 61 22.139 -5.563 -0.550 1.00 0.00 H new ATOM 0 HD2 ARG A 61 23.607 -5.124 1.462 1.00 0.00 H new ATOM 0 HD3 ARG A 61 23.447 -6.814 1.898 1.00 0.00 H new ATOM 0 HE ARG A 61 24.950 -7.397 0.211 1.00 0.00 H new ATOM 0 HH11 ARG A 61 23.810 -4.085 -0.229 1.00 0.00 H new ATOM 0 HH12 ARG A 61 24.976 -3.731 -1.508 1.00 0.00 H new ATOM 0 HH21 ARG A 61 26.445 -6.935 -1.431 1.00 0.00 H new ATOM 0 HH22 ARG A 61 26.462 -5.337 -2.186 1.00 0.00 H new ATOM 958 N ARG A 62 19.086 -3.893 -0.221 1.00 0.00 N ATOM 959 CA ARG A 62 18.440 -3.398 -1.430 1.00 0.00 C ATOM 960 C ARG A 62 18.234 -1.887 -1.358 1.00 0.00 C ATOM 961 O ARG A 62 18.267 -1.296 -0.278 1.00 0.00 O ATOM 962 CB ARG A 62 17.095 -4.097 -1.637 1.00 0.00 C ATOM 963 CG ARG A 62 16.689 -4.217 -3.097 1.00 0.00 C ATOM 964 CD ARG A 62 17.555 -5.226 -3.835 1.00 0.00 C ATOM 965 NE ARG A 62 17.270 -6.597 -3.422 1.00 0.00 N ATOM 966 CZ ARG A 62 18.087 -7.619 -3.653 1.00 0.00 C ATOM 967 NH1 ARG A 62 19.233 -7.425 -4.290 1.00 0.00 N ATOM 968 NH2 ARG A 62 17.757 -8.839 -3.246 1.00 0.00 N ATOM 0 H ARG A 62 18.493 -4.483 0.363 1.00 0.00 H new ATOM 0 HA ARG A 62 19.091 -3.618 -2.276 1.00 0.00 H new ATOM 0 HB2 ARG A 62 17.142 -5.094 -1.199 1.00 0.00 H new ATOM 0 HB3 ARG A 62 16.323 -3.548 -1.098 1.00 0.00 H new ATOM 0 HG2 ARG A 62 15.643 -4.517 -3.161 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.771 -3.243 -3.580 1.00 0.00 H new ATOM 0 HD2 ARG A 62 17.390 -5.129 -4.908 1.00 0.00 H new ATOM 0 HD3 ARG A 62 18.606 -5.004 -3.653 1.00 0.00 H new ATOM 0 HE ARG A 62 16.396 -6.780 -2.929 1.00 0.00 H new ATOM 0 HH11 ARG A 62 19.490 -6.489 -4.604 1.00 0.00 H new ATOM 0 HH12 ARG A 62 19.858 -8.211 -4.466 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.876 -8.992 -2.756 1.00 0.00 H new ATOM 0 HH22 ARG A 62 18.385 -9.623 -3.424 1.00 0.00 H new ATOM 982 N LYS A 63 18.023 -1.268 -2.514 1.00 0.00 N ATOM 983 CA LYS A 63 17.812 0.173 -2.584 1.00 0.00 C ATOM 984 C LYS A 63 16.386 0.493 -3.023 1.00 0.00 C ATOM 985 O LYS A 63 15.938 0.047 -4.079 1.00 0.00 O ATOM 986 CB LYS A 63 18.810 0.809 -3.553 1.00 0.00 C ATOM 987 CG LYS A 63 20.175 1.068 -2.938 1.00 0.00 C ATOM 988 CD LYS A 63 20.967 2.083 -3.745 1.00 0.00 C ATOM 989 CE LYS A 63 21.579 1.451 -4.986 1.00 0.00 C ATOM 990 NZ LYS A 63 22.738 0.579 -4.650 1.00 0.00 N ATOM 0 H LYS A 63 17.993 -1.742 -3.417 1.00 0.00 H new ATOM 0 HA LYS A 63 17.969 0.587 -1.588 1.00 0.00 H new ATOM 0 HB2 LYS A 63 18.929 0.157 -4.419 1.00 0.00 H new ATOM 0 HB3 LYS A 63 18.400 1.751 -3.917 1.00 0.00 H new ATOM 0 HG2 LYS A 63 20.052 1.430 -1.917 1.00 0.00 H new ATOM 0 HG3 LYS A 63 20.732 0.133 -2.880 1.00 0.00 H new ATOM 0 HD2 LYS A 63 20.315 2.906 -4.038 1.00 0.00 H new ATOM 0 HD3 LYS A 63 21.756 2.507 -3.124 1.00 0.00 H new ATOM 0 HE2 LYS A 63 20.822 0.864 -5.506 1.00 0.00 H new ATOM 0 HE3 LYS A 63 21.901 2.235 -5.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 23.240 0.317 -5.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 23.386 1.091 -4.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 22.399 -0.282 -4.175 1.00 0.00 H new ATOM 1004 N GLN A 64 15.681 1.268 -2.206 1.00 0.00 N ATOM 1005 CA GLN A 64 14.306 1.648 -2.512 1.00 0.00 C ATOM 1006 C GLN A 64 14.199 2.212 -3.925 1.00 0.00 C ATOM 1007 O GLN A 64 15.204 2.575 -4.538 1.00 0.00 O ATOM 1008 CB GLN A 64 13.802 2.678 -1.500 1.00 0.00 C ATOM 1009 CG GLN A 64 14.489 4.030 -1.614 1.00 0.00 C ATOM 1010 CD GLN A 64 14.048 5.001 -0.537 1.00 0.00 C ATOM 1011 OE1 GLN A 64 14.098 4.691 0.653 1.00 0.00 O ATOM 1012 NE2 GLN A 64 13.611 6.185 -0.951 1.00 0.00 N ATOM 0 H GLN A 64 16.038 1.645 -1.328 1.00 0.00 H new ATOM 0 HA GLN A 64 13.686 0.754 -2.449 1.00 0.00 H new ATOM 0 HB2 GLN A 64 12.729 2.813 -1.635 1.00 0.00 H new ATOM 0 HB3 GLN A 64 13.950 2.288 -0.493 1.00 0.00 H new ATOM 0 HG2 GLN A 64 15.568 3.891 -1.553 1.00 0.00 H new ATOM 0 HG3 GLN A 64 14.278 4.459 -2.593 1.00 0.00 H new ATOM 0 HE21 GLN A 64 13.587 6.400 -1.948 1.00 0.00 H new ATOM 0 HE22 GLN A 64 13.300 6.880 -0.272 1.00 0.00 H new ATOM 1021 N LEU A 65 12.975 2.281 -4.438 1.00 0.00 N ATOM 1022 CA LEU A 65 12.736 2.800 -5.780 1.00 0.00 C ATOM 1023 C LEU A 65 11.434 3.593 -5.833 1.00 0.00 C ATOM 1024 O LEU A 65 10.661 3.602 -4.874 1.00 0.00 O ATOM 1025 CB LEU A 65 12.689 1.653 -6.791 1.00 0.00 C ATOM 1026 CG LEU A 65 14.041 1.163 -7.312 1.00 0.00 C ATOM 1027 CD1 LEU A 65 13.914 -0.240 -7.887 1.00 0.00 C ATOM 1028 CD2 LEU A 65 14.589 2.122 -8.358 1.00 0.00 C ATOM 0 H LEU A 65 12.133 1.984 -3.945 1.00 0.00 H new ATOM 0 HA LEU A 65 13.558 3.468 -6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 65 12.172 0.811 -6.331 1.00 0.00 H new ATOM 0 HB3 LEU A 65 12.087 1.970 -7.643 1.00 0.00 H new ATOM 0 HG LEU A 65 14.741 1.130 -6.477 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.885 -0.573 -8.253 1.00 0.00 H new ATOM 0 HD12 LEU A 65 13.566 -0.921 -7.111 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.199 -0.233 -8.710 1.00 0.00 H new ATOM 0 HD21 LEU A 65 15.551 1.757 -8.717 1.00 0.00 H new ATOM 0 HD22 LEU A 65 13.891 2.188 -9.193 1.00 0.00 H new ATOM 0 HD23 LEU A 65 14.718 3.109 -7.914 1.00 0.00 H new ATOM 1040 N LEU A 66 11.197 4.257 -6.959 1.00 0.00 N ATOM 1041 CA LEU A 66 9.987 5.051 -7.139 1.00 0.00 C ATOM 1042 C LEU A 66 8.779 4.155 -7.391 1.00 0.00 C ATOM 1043 O LEU A 66 8.906 2.933 -7.470 1.00 0.00 O ATOM 1044 CB LEU A 66 10.163 6.028 -8.303 1.00 0.00 C ATOM 1045 CG LEU A 66 11.088 7.219 -8.046 1.00 0.00 C ATOM 1046 CD1 LEU A 66 12.537 6.763 -7.972 1.00 0.00 C ATOM 1047 CD2 LEU A 66 10.913 8.273 -9.129 1.00 0.00 C ATOM 0 H LEU A 66 11.827 4.261 -7.761 1.00 0.00 H new ATOM 0 HA LEU A 66 9.813 5.614 -6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.546 5.475 -9.161 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.181 6.410 -8.582 1.00 0.00 H new ATOM 0 HG LEU A 66 10.819 7.664 -7.088 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.180 7.624 -7.789 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.651 6.045 -7.160 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.819 6.293 -8.914 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.579 9.113 -8.930 1.00 0.00 H new ATOM 0 HD22 LEU A 66 11.154 7.841 -10.100 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.880 8.622 -9.134 1.00 0.00 H new ATOM 1059 N SER A 67 7.608 4.770 -7.518 1.00 0.00 N ATOM 1060 CA SER A 67 6.377 4.028 -7.760 1.00 0.00 C ATOM 1061 C SER A 67 5.327 4.917 -8.419 1.00 0.00 C ATOM 1062 O SER A 67 5.576 6.090 -8.699 1.00 0.00 O ATOM 1063 CB SER A 67 5.831 3.462 -6.448 1.00 0.00 C ATOM 1064 OG SER A 67 6.817 2.701 -5.771 1.00 0.00 O ATOM 0 H SER A 67 7.486 5.781 -7.457 1.00 0.00 H new ATOM 0 HA SER A 67 6.606 3.204 -8.436 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.494 4.278 -5.808 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.961 2.837 -6.652 1.00 0.00 H new ATOM 0 HG SER A 67 6.444 2.352 -4.935 1.00 0.00 H new ATOM 1070 N LYS A 68 4.150 4.350 -8.664 1.00 0.00 N ATOM 1071 CA LYS A 68 3.060 5.090 -9.289 1.00 0.00 C ATOM 1072 C LYS A 68 1.951 5.379 -8.282 1.00 0.00 C ATOM 1073 O LYS A 68 1.887 4.758 -7.221 1.00 0.00 O ATOM 1074 CB LYS A 68 2.494 4.301 -10.473 1.00 0.00 C ATOM 1075 CG LYS A 68 1.940 5.181 -11.580 1.00 0.00 C ATOM 1076 CD LYS A 68 1.276 4.355 -12.669 1.00 0.00 C ATOM 1077 CE LYS A 68 2.268 3.959 -13.751 1.00 0.00 C ATOM 1078 NZ LYS A 68 1.593 3.693 -15.052 1.00 0.00 N ATOM 0 H LYS A 68 3.927 3.380 -8.439 1.00 0.00 H new ATOM 0 HA LYS A 68 3.458 6.039 -9.648 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.278 3.665 -10.884 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.704 3.641 -10.115 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.217 5.882 -11.162 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.746 5.774 -12.012 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.837 3.459 -12.231 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.460 4.925 -13.113 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.003 4.754 -13.879 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.813 3.069 -13.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.303 3.426 -15.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.910 2.917 -14.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.094 4.550 -15.366 1.00 0.00 H new ATOM 1092 N GLN A 69 1.082 6.325 -8.621 1.00 0.00 N ATOM 1093 CA GLN A 69 -0.024 6.695 -7.746 1.00 0.00 C ATOM 1094 C GLN A 69 -1.359 6.572 -8.473 1.00 0.00 C ATOM 1095 O GLN A 69 -1.423 6.672 -9.698 1.00 0.00 O ATOM 1096 CB GLN A 69 0.161 8.125 -7.233 1.00 0.00 C ATOM 1097 CG GLN A 69 -0.407 8.349 -5.840 1.00 0.00 C ATOM 1098 CD GLN A 69 -0.644 9.816 -5.537 1.00 0.00 C ATOM 1099 OE1 GLN A 69 -1.786 10.260 -5.421 1.00 0.00 O ATOM 1100 NE2 GLN A 69 0.437 10.576 -5.405 1.00 0.00 N ATOM 0 H GLN A 69 1.122 6.849 -9.495 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.029 6.009 -6.899 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.224 8.365 -7.226 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.317 8.816 -7.927 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.347 7.805 -5.743 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.279 7.935 -5.101 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.365 10.165 -5.509 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.339 11.570 -5.199 1.00 0.00 H new ATOM 1109 N LYS A 70 -2.424 6.352 -7.709 1.00 0.00 N ATOM 1110 CA LYS A 70 -3.759 6.215 -8.280 1.00 0.00 C ATOM 1111 C LYS A 70 -4.736 7.181 -7.616 1.00 0.00 C ATOM 1112 O LYS A 70 -4.362 7.942 -6.724 1.00 0.00 O ATOM 1113 CB LYS A 70 -4.259 4.778 -8.120 1.00 0.00 C ATOM 1114 CG LYS A 70 -3.813 3.851 -9.238 1.00 0.00 C ATOM 1115 CD LYS A 70 -4.522 2.509 -9.166 1.00 0.00 C ATOM 1116 CE LYS A 70 -3.760 1.522 -8.295 1.00 0.00 C ATOM 1117 NZ LYS A 70 -4.197 0.119 -8.534 1.00 0.00 N ATOM 0 H LYS A 70 -2.389 6.265 -6.693 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.700 6.457 -9.341 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.904 4.383 -7.168 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.348 4.784 -8.077 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.014 4.319 -10.202 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.736 3.698 -9.177 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.527 2.648 -8.767 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.632 2.100 -10.170 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.692 1.609 -8.496 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.908 1.775 -7.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.654 -0.523 -7.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.210 0.029 -8.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.032 -0.131 -9.530 1.00 0.00 H new ATOM 1131 N TYR A 71 -5.989 7.143 -8.056 1.00 0.00 N ATOM 1132 CA TYR A 71 -7.019 8.016 -7.505 1.00 0.00 C ATOM 1133 C TYR A 71 -8.335 7.263 -7.332 1.00 0.00 C ATOM 1134 O TYR A 71 -8.470 6.119 -7.763 1.00 0.00 O ATOM 1135 CB TYR A 71 -7.228 9.229 -8.412 1.00 0.00 C ATOM 1136 CG TYR A 71 -8.192 8.977 -9.549 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -7.759 8.406 -10.740 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -9.536 9.310 -9.433 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -8.636 8.174 -11.781 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -10.420 9.080 -10.469 1.00 0.00 C ATOM 1141 CZ TYR A 71 -9.966 8.512 -11.641 1.00 0.00 C ATOM 1142 OH TYR A 71 -10.843 8.283 -12.676 1.00 0.00 O ATOM 0 H TYR A 71 -6.316 6.517 -8.792 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.685 8.357 -6.525 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.597 10.061 -7.812 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.266 9.534 -8.824 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.719 8.139 -10.853 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -9.895 9.756 -8.517 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -8.282 7.730 -12.700 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.462 9.344 -10.362 1.00 0.00 H new ATOM 0 HH TYR A 71 -11.741 8.577 -12.415 1.00 0.00 H new ATOM 1152 N ALA A 72 -9.303 7.917 -6.698 1.00 0.00 N ATOM 1153 CA ALA A 72 -10.610 7.312 -6.471 1.00 0.00 C ATOM 1154 C ALA A 72 -11.572 8.308 -5.832 1.00 0.00 C ATOM 1155 O ALA A 72 -11.172 9.402 -5.431 1.00 0.00 O ATOM 1156 CB ALA A 72 -10.473 6.073 -5.598 1.00 0.00 C ATOM 0 H ALA A 72 -9.207 8.865 -6.333 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.021 7.019 -7.437 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -11.456 5.631 -5.436 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.827 5.349 -6.093 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -10.038 6.351 -4.638 1.00 0.00 H new ATOM 1162 N ASP A 73 -12.840 7.924 -5.741 1.00 0.00 N ATOM 1163 CA ASP A 73 -13.859 8.783 -5.150 1.00 0.00 C ATOM 1164 C ASP A 73 -15.175 8.030 -4.981 1.00 0.00 C ATOM 1165 O ASP A 73 -15.286 6.863 -5.356 1.00 0.00 O ATOM 1166 CB ASP A 73 -14.076 10.024 -6.018 1.00 0.00 C ATOM 1167 CG ASP A 73 -14.627 9.682 -7.389 1.00 0.00 C ATOM 1168 OD1 ASP A 73 -14.124 8.721 -8.008 1.00 0.00 O ATOM 1169 OD2 ASP A 73 -15.562 10.375 -7.841 1.00 0.00 O ATOM 0 H ASP A 73 -13.187 7.023 -6.069 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.510 9.093 -4.165 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.763 10.702 -5.512 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.131 10.554 -6.131 1.00 0.00 H new ATOM 1174 N GLY A 74 -16.169 8.705 -4.412 1.00 0.00 N ATOM 1175 CA GLY A 74 -17.463 8.082 -4.201 1.00 0.00 C ATOM 1176 C GLY A 74 -17.986 8.294 -2.794 1.00 0.00 C ATOM 1177 O GLY A 74 -17.664 9.290 -2.149 1.00 0.00 O ATOM 0 H GLY A 74 -16.102 9.672 -4.093 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -18.179 8.487 -4.916 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -17.385 7.013 -4.399 1.00 0.00 H new ATOM 1181 N ALA A 75 -18.796 7.354 -2.319 1.00 0.00 N ATOM 1182 CA ALA A 75 -19.365 7.441 -0.979 1.00 0.00 C ATOM 1183 C ALA A 75 -20.483 8.477 -0.924 1.00 0.00 C ATOM 1184 O ALA A 75 -20.450 9.398 -0.108 1.00 0.00 O ATOM 1185 CB ALA A 75 -18.280 7.778 0.033 1.00 0.00 C ATOM 0 H ALA A 75 -19.073 6.523 -2.842 1.00 0.00 H new ATOM 0 HA ALA A 75 -19.792 6.470 -0.728 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -18.718 7.840 1.029 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -17.516 7.000 0.020 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -17.827 8.735 -0.224 1.00 0.00 H new ATOM 1191 N PHE A 76 -21.471 8.321 -1.798 1.00 0.00 N ATOM 1192 CA PHE A 76 -22.599 9.244 -1.850 1.00 0.00 C ATOM 1193 C PHE A 76 -23.829 8.638 -1.180 1.00 0.00 C ATOM 1194 O PHE A 76 -24.116 7.452 -1.340 1.00 0.00 O ATOM 1195 CB PHE A 76 -22.922 9.607 -3.301 1.00 0.00 C ATOM 1196 CG PHE A 76 -23.662 10.906 -3.443 1.00 0.00 C ATOM 1197 CD1 PHE A 76 -22.973 12.104 -3.543 1.00 0.00 C ATOM 1198 CD2 PHE A 76 -25.047 10.930 -3.476 1.00 0.00 C ATOM 1199 CE1 PHE A 76 -23.651 13.301 -3.675 1.00 0.00 C ATOM 1200 CE2 PHE A 76 -25.730 12.124 -3.607 1.00 0.00 C ATOM 1201 CZ PHE A 76 -25.031 13.311 -3.706 1.00 0.00 C ATOM 0 H PHE A 76 -21.514 7.564 -2.480 1.00 0.00 H new ATOM 0 HA PHE A 76 -22.321 10.149 -1.309 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -21.993 9.663 -3.869 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -23.518 8.808 -3.743 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -21.893 12.102 -3.517 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -25.599 10.005 -3.398 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -23.102 14.228 -3.754 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -26.810 12.129 -3.632 1.00 0.00 H new ATOM 0 HZ PHE A 76 -25.563 14.245 -3.807 1.00 0.00 H new ATOM 1211 N ALA A 77 -24.551 9.462 -0.427 1.00 0.00 N ATOM 1212 CA ALA A 77 -25.751 9.009 0.266 1.00 0.00 C ATOM 1213 C ALA A 77 -26.455 10.170 0.959 1.00 0.00 C ATOM 1214 O ALA A 77 -25.832 11.178 1.291 1.00 0.00 O ATOM 1215 CB ALA A 77 -25.399 7.925 1.275 1.00 0.00 C ATOM 0 H ALA A 77 -24.326 10.446 -0.282 1.00 0.00 H new ATOM 0 HA ALA A 77 -26.434 8.594 -0.475 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -26.304 7.595 1.786 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -24.946 7.079 0.757 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -24.695 8.323 2.006 1.00 0.00 H new ATOM 1221 N ASP A 78 -27.758 10.022 1.174 1.00 0.00 N ATOM 1222 CA ASP A 78 -28.548 11.058 1.828 1.00 0.00 C ATOM 1223 C ASP A 78 -29.979 10.584 2.063 1.00 0.00 C ATOM 1224 O ASP A 78 -30.586 9.956 1.195 1.00 0.00 O ATOM 1225 CB ASP A 78 -28.552 12.334 0.985 1.00 0.00 C ATOM 1226 CG ASP A 78 -28.928 13.561 1.793 1.00 0.00 C ATOM 1227 OD1 ASP A 78 -30.135 13.874 1.870 1.00 0.00 O ATOM 1228 OD2 ASP A 78 -28.016 14.207 2.349 1.00 0.00 O ATOM 0 H ASP A 78 -28.289 9.194 0.905 1.00 0.00 H new ATOM 0 HA ASP A 78 -28.092 11.272 2.795 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -27.565 12.480 0.547 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -29.253 12.218 0.159 1.00 0.00 H new ATOM 1233 N PHE A 79 -30.512 10.888 3.242 1.00 0.00 N ATOM 1234 CA PHE A 79 -31.871 10.492 3.592 1.00 0.00 C ATOM 1235 C PHE A 79 -32.754 11.716 3.814 1.00 0.00 C ATOM 1236 O PHE A 79 -33.674 11.981 3.041 1.00 0.00 O ATOM 1237 CB PHE A 79 -31.862 9.619 4.848 1.00 0.00 C ATOM 1238 CG PHE A 79 -31.103 8.334 4.681 1.00 0.00 C ATOM 1239 CD1 PHE A 79 -31.702 7.232 4.091 1.00 0.00 C ATOM 1240 CD2 PHE A 79 -29.791 8.228 5.112 1.00 0.00 C ATOM 1241 CE1 PHE A 79 -31.006 6.048 3.937 1.00 0.00 C ATOM 1242 CE2 PHE A 79 -29.090 7.046 4.960 1.00 0.00 C ATOM 1243 CZ PHE A 79 -29.698 5.955 4.370 1.00 0.00 C ATOM 0 H PHE A 79 -30.023 11.407 3.971 1.00 0.00 H new ATOM 0 HA PHE A 79 -32.281 9.917 2.762 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -31.425 10.185 5.671 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -32.890 9.390 5.129 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -32.724 7.299 3.748 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -29.310 9.078 5.572 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -31.485 5.196 3.478 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -28.068 6.976 5.302 1.00 0.00 H new ATOM 0 HZ PHE A 79 -29.152 5.031 4.248 1.00 0.00 H new ATOM 1253 N LYS A 80 -32.468 12.458 4.879 1.00 0.00 N ATOM 1254 CA LYS A 80 -33.234 13.655 5.205 1.00 0.00 C ATOM 1255 C LYS A 80 -34.594 13.287 5.790 1.00 0.00 C ATOM 1256 O LYS A 80 -35.627 13.783 5.341 1.00 0.00 O ATOM 1257 CB LYS A 80 -33.421 14.522 3.958 1.00 0.00 C ATOM 1258 CG LYS A 80 -33.450 16.012 4.252 1.00 0.00 C ATOM 1259 CD LYS A 80 -34.777 16.436 4.858 1.00 0.00 C ATOM 1260 CE LYS A 80 -35.918 16.283 3.863 1.00 0.00 C ATOM 1261 NZ LYS A 80 -37.001 17.277 4.104 1.00 0.00 N ATOM 0 H LYS A 80 -31.711 12.251 5.531 1.00 0.00 H new ATOM 0 HA LYS A 80 -32.677 14.220 5.952 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -32.613 14.314 3.257 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -34.351 14.239 3.465 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -32.640 16.264 4.936 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -33.275 16.569 3.331 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -34.982 15.835 5.744 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -34.714 17.474 5.184 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -35.535 16.402 2.850 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -36.328 15.275 3.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -37.760 17.140 3.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -37.385 17.147 5.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -36.616 18.239 4.013 1.00 0.00 H new ATOM 1275 N GLN A 81 -34.586 12.417 6.795 1.00 0.00 N ATOM 1276 CA GLN A 81 -35.819 11.984 7.441 1.00 0.00 C ATOM 1277 C GLN A 81 -35.526 11.297 8.770 1.00 0.00 C ATOM 1278 O GLN A 81 -34.508 10.621 8.918 1.00 0.00 O ATOM 1279 CB GLN A 81 -36.595 11.037 6.524 1.00 0.00 C ATOM 1280 CG GLN A 81 -37.671 11.730 5.703 1.00 0.00 C ATOM 1281 CD GLN A 81 -37.198 12.091 4.309 1.00 0.00 C ATOM 1282 OE1 GLN A 81 -37.395 13.215 3.845 1.00 0.00 O ATOM 1283 NE2 GLN A 81 -36.571 11.137 3.630 1.00 0.00 N ATOM 0 H GLN A 81 -33.739 11.998 7.179 1.00 0.00 H new ATOM 0 HA GLN A 81 -36.426 12.868 7.636 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -35.895 10.544 5.849 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -37.057 10.257 7.129 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -38.543 11.079 5.630 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -37.991 12.635 6.220 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -36.429 10.220 4.053 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -36.232 11.322 2.686 1.00 0.00 H new ATOM 1292 N GLU A 82 -36.423 11.476 9.735 1.00 0.00 N ATOM 1293 CA GLU A 82 -36.258 10.873 11.052 1.00 0.00 C ATOM 1294 C GLU A 82 -37.483 11.130 11.925 1.00 0.00 C ATOM 1295 O GLU A 82 -37.869 12.277 12.150 1.00 0.00 O ATOM 1296 CB GLU A 82 -35.006 11.425 11.737 1.00 0.00 C ATOM 1297 CG GLU A 82 -34.430 10.496 12.792 1.00 0.00 C ATOM 1298 CD GLU A 82 -35.075 10.686 14.151 1.00 0.00 C ATOM 1299 OE1 GLU A 82 -35.386 11.842 14.505 1.00 0.00 O ATOM 1300 OE2 GLU A 82 -35.268 9.677 14.861 1.00 0.00 O ATOM 0 H GLU A 82 -37.271 12.033 9.629 1.00 0.00 H new ATOM 0 HA GLU A 82 -36.146 9.797 10.919 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -34.245 11.620 10.982 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -35.247 12.382 12.200 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -34.563 9.462 12.472 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -33.357 10.668 12.876 1.00 0.00 H new ATOM 1307 N SER A 83 -38.091 10.053 12.413 1.00 0.00 N ATOM 1308 CA SER A 83 -39.275 10.160 13.258 1.00 0.00 C ATOM 1309 C SER A 83 -38.886 10.246 14.730 1.00 0.00 C ATOM 1310 O SER A 83 -39.159 11.241 15.400 1.00 0.00 O ATOM 1311 CB SER A 83 -40.199 8.962 13.031 1.00 0.00 C ATOM 1312 OG SER A 83 -41.219 8.912 14.014 1.00 0.00 O ATOM 0 H SER A 83 -37.783 9.096 12.238 1.00 0.00 H new ATOM 0 HA SER A 83 -39.804 11.074 12.987 1.00 0.00 H new ATOM 0 HB2 SER A 83 -40.648 9.027 12.040 1.00 0.00 H new ATOM 0 HB3 SER A 83 -39.618 8.040 13.058 1.00 0.00 H new ATOM 0 HG SER A 83 -41.797 8.139 13.846 1.00 0.00 H new ATOM 1318 N GLY A 84 -38.245 9.193 15.229 1.00 0.00 N ATOM 1319 CA GLY A 84 -37.828 9.168 16.619 1.00 0.00 C ATOM 1320 C GLY A 84 -38.681 8.241 17.463 1.00 0.00 C ATOM 1321 O GLY A 84 -39.909 8.252 17.386 1.00 0.00 O ATOM 0 H GLY A 84 -38.007 8.357 14.695 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -36.786 8.852 16.677 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -37.878 10.177 17.029 1.00 0.00 H new ATOM 1325 N PRO A 85 -38.023 7.416 18.291 1.00 0.00 N ATOM 1326 CA PRO A 85 -38.709 6.463 19.168 1.00 0.00 C ATOM 1327 C PRO A 85 -39.463 7.154 20.299 1.00 0.00 C ATOM 1328 O PRO A 85 -39.582 8.379 20.320 1.00 0.00 O ATOM 1329 CB PRO A 85 -37.568 5.611 19.728 1.00 0.00 C ATOM 1330 CG PRO A 85 -36.367 6.490 19.653 1.00 0.00 C ATOM 1331 CD PRO A 85 -36.559 7.349 18.434 1.00 0.00 C ATOM 0 HA PRO A 85 -39.465 5.888 18.633 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -37.770 5.304 20.754 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -37.430 4.701 19.144 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -36.274 7.101 20.551 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -35.455 5.899 19.574 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -36.123 8.339 18.567 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -36.089 6.909 17.554 1.00 0.00 H new ATOM 1339 N SER A 86 -39.970 6.362 21.238 1.00 0.00 N ATOM 1340 CA SER A 86 -40.715 6.898 22.370 1.00 0.00 C ATOM 1341 C SER A 86 -40.523 6.028 23.608 1.00 0.00 C ATOM 1342 O SER A 86 -39.947 4.942 23.534 1.00 0.00 O ATOM 1343 CB SER A 86 -42.203 6.997 22.029 1.00 0.00 C ATOM 1344 OG SER A 86 -42.887 7.817 22.960 1.00 0.00 O ATOM 0 H SER A 86 -39.878 5.346 21.237 1.00 0.00 H new ATOM 0 HA SER A 86 -40.332 7.896 22.585 1.00 0.00 H new ATOM 0 HB2 SER A 86 -42.323 7.404 21.025 1.00 0.00 H new ATOM 0 HB3 SER A 86 -42.645 6.001 22.024 1.00 0.00 H new ATOM 0 HG SER A 86 -43.836 7.865 22.718 1.00 0.00 H new ATOM 1350 N SER A 87 -41.010 6.512 24.746 1.00 0.00 N ATOM 1351 CA SER A 87 -40.889 5.781 26.002 1.00 0.00 C ATOM 1352 C SER A 87 -42.265 5.488 26.594 1.00 0.00 C ATOM 1353 O SER A 87 -43.287 5.918 26.062 1.00 0.00 O ATOM 1354 CB SER A 87 -40.051 6.579 27.003 1.00 0.00 C ATOM 1355 OG SER A 87 -40.821 7.598 27.615 1.00 0.00 O ATOM 0 H SER A 87 -41.492 7.407 24.824 1.00 0.00 H new ATOM 0 HA SER A 87 -40.391 4.834 25.796 1.00 0.00 H new ATOM 0 HB2 SER A 87 -39.656 5.909 27.767 1.00 0.00 H new ATOM 0 HB3 SER A 87 -39.195 7.022 26.494 1.00 0.00 H new ATOM 0 HG SER A 87 -40.263 8.092 28.251 1.00 0.00 H new ATOM 1361 N GLY A 88 -42.281 4.751 27.701 1.00 0.00 N ATOM 1362 CA GLY A 88 -43.535 4.412 28.348 1.00 0.00 C ATOM 1363 C GLY A 88 -43.529 4.736 29.829 1.00 0.00 C ATOM 1364 O GLY A 88 -42.975 5.764 30.215 1.00 0.00 O ATOM 0 H GLY A 88 -41.448 4.383 28.161 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -44.348 4.953 27.864 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -43.735 3.349 28.212 1.00 0.00 H new TER 1368 GLY A 88 HETATM 1369 ZN ZN A 201 2.199 -5.190 3.810 1.00 0.00 ZN