USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=19 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 67 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 69 GLN : amide:sc= -1.22 X(o=-1.2,f=-1.4) USER MOD Set 2.1: A 26 TYR OH : rot 138:sc= 0.0586 USER MOD Set 2.2: A 38 THR OG1 : rot -6:sc= 1.39 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 -53:sc= 0.545 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00995) USER MOD Single : A 17 ASN : amide:sc= -2.91! C(o=-2.9!,f=-6.4!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 23 ASN : amide:sc= -0.263 X(o=-0.26,f=0) 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= -0.0366 X(o=-0.037,f=-0.0068) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.194 K(o=-0.19,f=-2.6!) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0961 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.71) USER MOD Single : A 37 SER OG : rot 180:sc= 0.0144 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= -0.896 K(o=-0.9,f=-0.092) USER MOD Single : A 49 ASN : amide:sc=-0.00915 K(o=-0.0092,f=-0.54) USER MOD Single : A 53 GLN : amide:sc= -0.0412 X(o=-0.041,f=-0.34) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.0202 K(o=-0.02,f=-1.3!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=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+ -154:sc= -0.039 (180deg=-0.424) USER MOD Single : A 81 GLN : amide:sc= -0.181 K(o=-0.18,f=-3!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.215 -3.914 -63.710 1.00 0.00 N ATOM 2 CA GLY A 1 9.590 -3.391 -62.409 1.00 0.00 C ATOM 3 C GLY A 1 9.191 -4.316 -61.276 1.00 0.00 C ATOM 4 O GLY A 1 8.032 -4.719 -61.174 1.00 0.00 O ATOM 0 H1 GLY A 1 9.509 -3.246 -64.451 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.683 -4.830 -63.864 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.184 -4.042 -63.749 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.668 -3.232 -62.382 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.120 -2.418 -62.263 1.00 0.00 H new ATOM 8 N SER A 2 10.153 -4.654 -60.424 1.00 0.00 N ATOM 9 CA SER A 2 9.897 -5.542 -59.296 1.00 0.00 C ATOM 10 C SER A 2 9.946 -4.774 -57.978 1.00 0.00 C ATOM 11 O SER A 2 11.022 -4.470 -57.464 1.00 0.00 O ATOM 12 CB SER A 2 10.919 -6.680 -59.274 1.00 0.00 C ATOM 13 OG SER A 2 10.884 -7.421 -60.482 1.00 0.00 O ATOM 0 H SER A 2 11.117 -4.327 -60.493 1.00 0.00 H new ATOM 0 HA SER A 2 8.898 -5.962 -59.415 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.919 -6.272 -59.123 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.714 -7.341 -58.432 1.00 0.00 H new ATOM 0 HG SER A 2 11.548 -8.141 -60.443 1.00 0.00 H new ATOM 19 N SER A 3 8.772 -4.464 -57.438 1.00 0.00 N ATOM 20 CA SER A 3 8.679 -3.729 -56.182 1.00 0.00 C ATOM 21 C SER A 3 7.546 -4.272 -55.317 1.00 0.00 C ATOM 22 O SER A 3 6.573 -4.828 -55.825 1.00 0.00 O ATOM 23 CB SER A 3 8.459 -2.239 -56.454 1.00 0.00 C ATOM 24 OG SER A 3 9.457 -1.726 -57.321 1.00 0.00 O ATOM 0 H SER A 3 7.872 -4.710 -57.850 1.00 0.00 H new ATOM 0 HA SER A 3 9.618 -3.859 -55.643 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.475 -2.089 -56.898 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.472 -1.689 -55.513 1.00 0.00 H new ATOM 0 HG SER A 3 9.293 -0.773 -57.480 1.00 0.00 H new ATOM 30 N GLY A 4 7.680 -4.106 -54.005 1.00 0.00 N ATOM 31 CA GLY A 4 6.661 -4.584 -53.088 1.00 0.00 C ATOM 32 C GLY A 4 7.250 -5.293 -51.885 1.00 0.00 C ATOM 33 O GLY A 4 8.220 -4.822 -51.291 1.00 0.00 O ATOM 0 H GLY A 4 8.476 -3.649 -53.560 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.057 -3.742 -52.750 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.992 -5.264 -53.615 1.00 0.00 H new ATOM 37 N SER A 5 6.662 -6.429 -51.524 1.00 0.00 N ATOM 38 CA SER A 5 7.132 -7.202 -50.380 1.00 0.00 C ATOM 39 C SER A 5 6.923 -6.431 -49.080 1.00 0.00 C ATOM 40 O SER A 5 7.796 -6.408 -48.212 1.00 0.00 O ATOM 41 CB SER A 5 8.612 -7.552 -50.546 1.00 0.00 C ATOM 42 OG SER A 5 9.050 -8.420 -49.515 1.00 0.00 O ATOM 0 H SER A 5 5.860 -6.834 -52.007 1.00 0.00 H new ATOM 0 HA SER A 5 6.551 -8.123 -50.333 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.771 -8.025 -51.515 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.208 -6.639 -50.535 1.00 0.00 H new ATOM 0 HG SER A 5 8.826 -8.032 -48.643 1.00 0.00 H new ATOM 48 N SER A 6 5.760 -5.800 -48.954 1.00 0.00 N ATOM 49 CA SER A 6 5.437 -5.023 -47.763 1.00 0.00 C ATOM 50 C SER A 6 4.085 -5.441 -47.192 1.00 0.00 C ATOM 51 O SER A 6 3.044 -5.229 -47.813 1.00 0.00 O ATOM 52 CB SER A 6 5.425 -3.529 -48.090 1.00 0.00 C ATOM 53 OG SER A 6 4.862 -2.778 -47.028 1.00 0.00 O ATOM 0 H SER A 6 5.026 -5.812 -49.662 1.00 0.00 H new ATOM 0 HA SER A 6 6.204 -5.217 -47.014 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.442 -3.187 -48.281 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.854 -3.358 -49.003 1.00 0.00 H new ATOM 0 HG SER A 6 4.868 -1.826 -47.262 1.00 0.00 H new ATOM 59 N GLY A 7 4.110 -6.037 -46.004 1.00 0.00 N ATOM 60 CA GLY A 7 2.882 -6.476 -45.368 1.00 0.00 C ATOM 61 C GLY A 7 2.789 -6.036 -43.921 1.00 0.00 C ATOM 62 O GLY A 7 3.802 -5.728 -43.291 1.00 0.00 O ATOM 0 H GLY A 7 4.959 -6.224 -45.471 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.029 -6.081 -45.920 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.819 -7.563 -45.419 1.00 0.00 H new ATOM 66 N LEU A 8 1.571 -6.005 -43.391 1.00 0.00 N ATOM 67 CA LEU A 8 1.349 -5.598 -42.008 1.00 0.00 C ATOM 68 C LEU A 8 0.112 -6.279 -41.431 1.00 0.00 C ATOM 69 O LEU A 8 -1.018 -5.947 -41.790 1.00 0.00 O ATOM 70 CB LEU A 8 1.195 -4.078 -41.921 1.00 0.00 C ATOM 71 CG LEU A 8 0.589 -3.538 -40.625 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.471 -3.887 -39.437 1.00 0.00 C ATOM 73 CD2 LEU A 8 0.387 -2.032 -40.718 1.00 0.00 C ATOM 0 H LEU A 8 0.722 -6.257 -43.898 1.00 0.00 H new ATOM 0 HA LEU A 8 2.216 -5.904 -41.422 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.177 -3.625 -42.056 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.575 -3.747 -42.754 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.384 -4.007 -40.478 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.024 -3.494 -38.524 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.564 -4.970 -39.359 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.459 -3.447 -39.575 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.045 -1.665 -39.787 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.348 -1.546 -40.889 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.286 -1.806 -41.545 1.00 0.00 H new ATOM 85 N LYS A 9 0.333 -7.234 -40.534 1.00 0.00 N ATOM 86 CA LYS A 9 -0.762 -7.961 -39.904 1.00 0.00 C ATOM 87 C LYS A 9 -0.402 -8.357 -38.475 1.00 0.00 C ATOM 88 O LYS A 9 0.516 -9.146 -38.252 1.00 0.00 O ATOM 89 CB LYS A 9 -1.107 -9.210 -40.718 1.00 0.00 C ATOM 90 CG LYS A 9 -1.515 -8.909 -42.150 1.00 0.00 C ATOM 91 CD LYS A 9 -2.860 -8.205 -42.211 1.00 0.00 C ATOM 92 CE LYS A 9 -2.999 -7.377 -43.478 1.00 0.00 C ATOM 93 NZ LYS A 9 -2.983 -8.227 -44.701 1.00 0.00 N ATOM 0 H LYS A 9 1.262 -7.523 -40.227 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.631 -7.303 -39.872 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.245 -9.877 -40.727 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.918 -9.744 -40.223 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.756 -8.286 -42.622 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.564 -9.838 -42.718 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.661 -8.944 -42.168 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.974 -7.560 -41.340 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.930 -6.811 -43.441 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.187 -6.652 -43.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.148 -7.633 -45.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.059 -8.696 -44.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.731 -8.946 -44.634 1.00 0.00 H new ATOM 107 N ARG A 10 -1.131 -7.804 -37.511 1.00 0.00 N ATOM 108 CA ARG A 10 -0.888 -8.099 -36.105 1.00 0.00 C ATOM 109 C ARG A 10 -1.994 -7.518 -35.228 1.00 0.00 C ATOM 110 O ARG A 10 -2.089 -6.303 -35.055 1.00 0.00 O ATOM 111 CB ARG A 10 0.468 -7.540 -35.671 1.00 0.00 C ATOM 112 CG ARG A 10 0.907 -8.008 -34.293 1.00 0.00 C ATOM 113 CD ARG A 10 0.426 -7.063 -33.204 1.00 0.00 C ATOM 114 NE ARG A 10 0.868 -7.485 -31.877 1.00 0.00 N ATOM 115 CZ ARG A 10 1.013 -6.654 -30.852 1.00 0.00 C ATOM 116 NH1 ARG A 10 0.752 -5.362 -30.999 1.00 0.00 N ATOM 117 NH2 ARG A 10 1.420 -7.114 -29.675 1.00 0.00 N ATOM 0 H ARG A 10 -1.895 -7.149 -37.679 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.882 -9.182 -35.983 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.222 -7.832 -36.402 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.422 -6.451 -35.678 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.517 -9.009 -34.106 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.994 -8.078 -34.261 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.796 -6.058 -33.407 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.663 -7.011 -33.224 1.00 0.00 H new ATOM 0 HE ARG A 10 1.077 -8.473 -31.730 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.439 -5.004 -31.901 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.864 -4.726 -30.210 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.622 -8.107 -29.558 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.531 -6.474 -28.888 1.00 0.00 H new ATOM 131 N ASP A 11 -2.828 -8.394 -34.679 1.00 0.00 N ATOM 132 CA ASP A 11 -3.927 -7.969 -33.820 1.00 0.00 C ATOM 133 C ASP A 11 -3.618 -8.264 -32.355 1.00 0.00 C ATOM 134 O ASP A 11 -2.651 -8.958 -32.042 1.00 0.00 O ATOM 135 CB ASP A 11 -5.224 -8.667 -34.231 1.00 0.00 C ATOM 136 CG ASP A 11 -5.103 -10.178 -34.196 1.00 0.00 C ATOM 137 OD1 ASP A 11 -4.297 -10.691 -33.392 1.00 0.00 O ATOM 138 OD2 ASP A 11 -5.814 -10.848 -34.975 1.00 0.00 O ATOM 0 H ASP A 11 -2.764 -9.403 -34.814 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.051 -6.892 -33.937 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.029 -8.354 -33.565 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.501 -8.351 -35.237 1.00 0.00 H new ATOM 143 N PHE A 12 -4.445 -7.730 -31.462 1.00 0.00 N ATOM 144 CA PHE A 12 -4.259 -7.935 -30.030 1.00 0.00 C ATOM 145 C PHE A 12 -5.580 -8.296 -29.356 1.00 0.00 C ATOM 146 O PHE A 12 -6.630 -8.318 -29.998 1.00 0.00 O ATOM 147 CB PHE A 12 -3.672 -6.677 -29.386 1.00 0.00 C ATOM 148 CG PHE A 12 -4.364 -5.411 -29.803 1.00 0.00 C ATOM 149 CD1 PHE A 12 -4.095 -4.832 -31.033 1.00 0.00 C ATOM 150 CD2 PHE A 12 -5.283 -4.800 -28.966 1.00 0.00 C ATOM 151 CE1 PHE A 12 -4.731 -3.667 -31.420 1.00 0.00 C ATOM 152 CE2 PHE A 12 -5.922 -3.635 -29.348 1.00 0.00 C ATOM 153 CZ PHE A 12 -5.644 -3.067 -30.576 1.00 0.00 C ATOM 0 H PHE A 12 -5.250 -7.152 -31.704 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.564 -8.763 -29.894 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.730 -6.773 -28.302 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.615 -6.606 -29.644 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.380 -5.296 -31.697 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.503 -5.239 -28.004 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.514 -3.227 -32.382 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.638 -3.169 -28.687 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.140 -2.155 -30.875 1.00 0.00 H new ATOM 163 N ILE A 13 -5.517 -8.578 -28.060 1.00 0.00 N ATOM 164 CA ILE A 13 -6.707 -8.938 -27.298 1.00 0.00 C ATOM 165 C ILE A 13 -7.462 -7.695 -26.840 1.00 0.00 C ATOM 166 O ILE A 13 -6.990 -6.951 -25.980 1.00 0.00 O ATOM 167 CB ILE A 13 -6.351 -9.792 -26.067 1.00 0.00 C ATOM 168 CG1 ILE A 13 -5.107 -9.233 -25.374 1.00 0.00 C ATOM 169 CG2 ILE A 13 -6.131 -11.241 -26.474 1.00 0.00 C ATOM 170 CD1 ILE A 13 -5.001 -9.623 -23.916 1.00 0.00 C ATOM 0 H ILE A 13 -4.655 -8.564 -27.515 1.00 0.00 H new ATOM 0 HA ILE A 13 -7.343 -9.523 -27.963 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.183 -9.755 -25.364 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.219 -9.583 -25.901 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.116 -8.146 -25.451 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.880 -11.832 -25.593 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -7.041 -11.634 -26.928 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.314 -11.297 -27.193 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.096 -9.192 -23.489 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.871 -9.250 -23.375 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.960 -10.709 -23.832 1.00 0.00 H new ATOM 182 N ILE A 14 -8.639 -7.478 -27.418 1.00 0.00 N ATOM 183 CA ILE A 14 -9.461 -6.327 -27.067 1.00 0.00 C ATOM 184 C ILE A 14 -10.567 -6.718 -26.092 1.00 0.00 C ATOM 185 O ILE A 14 -11.658 -7.116 -26.501 1.00 0.00 O ATOM 186 CB ILE A 14 -10.096 -5.686 -28.315 1.00 0.00 C ATOM 187 CG1 ILE A 14 -9.008 -5.199 -29.274 1.00 0.00 C ATOM 188 CG2 ILE A 14 -11.009 -4.537 -27.914 1.00 0.00 C ATOM 189 CD1 ILE A 14 -8.582 -6.241 -30.284 1.00 0.00 C ATOM 0 H ILE A 14 -9.044 -8.084 -28.131 1.00 0.00 H new ATOM 0 HA ILE A 14 -8.801 -5.601 -26.592 1.00 0.00 H new ATOM 0 HB ILE A 14 -10.695 -6.439 -28.827 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -9.370 -4.318 -29.804 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -8.138 -4.888 -28.696 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.450 -4.094 -28.807 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -11.801 -4.911 -27.265 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -10.431 -3.781 -27.382 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.809 -5.826 -30.930 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.189 -7.114 -29.763 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -9.441 -6.535 -30.888 1.00 0.00 H new ATOM 201 N LEU A 15 -10.278 -6.601 -24.801 1.00 0.00 N ATOM 202 CA LEU A 15 -11.248 -6.941 -23.766 1.00 0.00 C ATOM 203 C LEU A 15 -11.521 -5.744 -22.861 1.00 0.00 C ATOM 204 O LEU A 15 -12.670 -5.442 -22.542 1.00 0.00 O ATOM 205 CB LEU A 15 -10.744 -8.120 -22.933 1.00 0.00 C ATOM 206 CG LEU A 15 -11.768 -8.773 -22.004 1.00 0.00 C ATOM 207 CD1 LEU A 15 -11.328 -10.180 -21.629 1.00 0.00 C ATOM 208 CD2 LEU A 15 -11.973 -7.926 -20.757 1.00 0.00 C ATOM 0 H LEU A 15 -9.380 -6.273 -24.446 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.180 -7.223 -24.256 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.362 -8.882 -23.613 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.902 -7.779 -22.330 1.00 0.00 H new ATOM 0 HG LEU A 15 -12.719 -8.841 -22.533 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.069 -10.629 -20.968 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.234 -10.784 -22.531 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -10.366 -10.136 -21.119 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.705 -8.406 -20.107 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.027 -7.826 -20.226 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -12.335 -6.938 -21.043 1.00 0.00 H new ATOM 220 N GLY A 16 -10.455 -5.063 -22.451 1.00 0.00 N ATOM 221 CA GLY A 16 -10.600 -3.905 -21.588 1.00 0.00 C ATOM 222 C GLY A 16 -11.507 -4.175 -20.404 1.00 0.00 C ATOM 223 O GLY A 16 -12.647 -3.714 -20.370 1.00 0.00 O ATOM 0 H GLY A 16 -9.493 -5.293 -22.701 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.618 -3.599 -21.227 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.001 -3.072 -22.166 1.00 0.00 H new ATOM 227 N ASN A 17 -11.001 -4.925 -19.431 1.00 0.00 N ATOM 228 CA ASN A 17 -11.775 -5.258 -18.241 1.00 0.00 C ATOM 229 C ASN A 17 -12.537 -4.039 -17.729 1.00 0.00 C ATOM 230 O ASN A 17 -12.216 -2.903 -18.076 1.00 0.00 O ATOM 231 CB ASN A 17 -10.855 -5.796 -17.143 1.00 0.00 C ATOM 232 CG ASN A 17 -10.397 -7.215 -17.416 1.00 0.00 C ATOM 233 OD1 ASN A 17 -10.039 -7.558 -18.544 1.00 0.00 O ATOM 234 ND2 ASN A 17 -10.407 -8.050 -16.383 1.00 0.00 N ATOM 0 H ASN A 17 -10.058 -5.314 -19.443 1.00 0.00 H new ATOM 0 HA ASN A 17 -12.497 -6.029 -18.511 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.984 -5.147 -17.053 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.377 -5.763 -16.187 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.110 -9.018 -16.507 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.711 -7.723 -15.466 1.00 0.00 H new ATOM 241 N GLY A 18 -13.547 -4.284 -16.901 1.00 0.00 N ATOM 242 CA GLY A 18 -14.339 -3.198 -16.354 1.00 0.00 C ATOM 243 C GLY A 18 -14.484 -3.287 -14.848 1.00 0.00 C ATOM 244 O GLY A 18 -13.797 -4.061 -14.182 1.00 0.00 O ATOM 0 H GLY A 18 -13.831 -5.216 -16.599 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -13.875 -2.247 -16.616 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -15.328 -3.207 -16.812 1.00 0.00 H new ATOM 248 N PRO A 19 -15.397 -2.478 -14.289 1.00 0.00 N ATOM 249 CA PRO A 19 -15.651 -2.450 -12.846 1.00 0.00 C ATOM 250 C PRO A 19 -16.331 -3.722 -12.352 1.00 0.00 C ATOM 251 O PRO A 19 -17.559 -3.813 -12.334 1.00 0.00 O ATOM 252 CB PRO A 19 -16.579 -1.245 -12.672 1.00 0.00 C ATOM 253 CG PRO A 19 -17.255 -1.095 -13.991 1.00 0.00 C ATOM 254 CD PRO A 19 -16.251 -1.530 -15.023 1.00 0.00 C ATOM 0 HA PRO A 19 -14.727 -2.380 -12.271 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -17.302 -1.414 -11.874 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -16.018 -0.348 -12.410 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -18.155 -1.708 -14.040 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -17.563 -0.063 -14.157 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.733 -2.003 -15.879 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.677 -0.686 -15.406 1.00 0.00 H new ATOM 262 N ARG A 20 -15.527 -4.700 -11.951 1.00 0.00 N ATOM 263 CA ARG A 20 -16.053 -5.967 -11.457 1.00 0.00 C ATOM 264 C ARG A 20 -15.826 -6.101 -9.954 1.00 0.00 C ATOM 265 O ARG A 20 -14.846 -5.586 -9.414 1.00 0.00 O ATOM 266 CB ARG A 20 -15.393 -7.138 -12.189 1.00 0.00 C ATOM 267 CG ARG A 20 -16.089 -7.515 -13.486 1.00 0.00 C ATOM 268 CD ARG A 20 -15.999 -6.397 -14.513 1.00 0.00 C ATOM 269 NE ARG A 20 -16.320 -6.862 -15.859 1.00 0.00 N ATOM 270 CZ ARG A 20 -15.438 -7.440 -16.667 1.00 0.00 C ATOM 271 NH1 ARG A 20 -14.187 -7.622 -16.266 1.00 0.00 N ATOM 272 NH2 ARG A 20 -15.806 -7.837 -17.878 1.00 0.00 N ATOM 0 H ARG A 20 -14.509 -4.640 -11.958 1.00 0.00 H new ATOM 0 HA ARG A 20 -17.126 -5.985 -11.649 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.355 -6.883 -12.404 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -15.377 -8.006 -11.529 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.638 -8.420 -13.892 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -17.136 -7.743 -13.285 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -16.681 -5.594 -14.235 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.993 -5.978 -14.505 1.00 0.00 H new ATOM 0 HE ARG A 20 -17.274 -6.736 -16.198 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.900 -7.318 -15.336 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.512 -8.066 -16.888 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -16.767 -7.699 -18.190 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.128 -8.281 -18.497 1.00 0.00 H new ATOM 286 N LEU A 21 -16.739 -6.795 -9.283 1.00 0.00 N ATOM 287 CA LEU A 21 -16.640 -6.997 -7.842 1.00 0.00 C ATOM 288 C LEU A 21 -16.026 -8.357 -7.523 1.00 0.00 C ATOM 289 O LEU A 21 -16.240 -9.329 -8.246 1.00 0.00 O ATOM 290 CB LEU A 21 -18.021 -6.883 -7.195 1.00 0.00 C ATOM 291 CG LEU A 21 -18.761 -5.564 -7.420 1.00 0.00 C ATOM 292 CD1 LEU A 21 -19.444 -5.561 -8.778 1.00 0.00 C ATOM 293 CD2 LEU A 21 -19.775 -5.325 -6.310 1.00 0.00 C ATOM 0 H LEU A 21 -17.556 -7.227 -9.714 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.990 -6.222 -7.435 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -18.644 -7.695 -7.571 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -17.911 -7.036 -6.121 1.00 0.00 H new ATOM 0 HG LEU A 21 -18.033 -4.753 -7.400 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -19.966 -4.615 -8.921 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -18.696 -5.685 -9.562 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -20.160 -6.381 -8.827 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -20.292 -4.382 -6.487 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -20.499 -6.139 -6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -19.260 -5.282 -5.350 1.00 0.00 H new ATOM 305 N GLN A 22 -15.266 -8.416 -6.435 1.00 0.00 N ATOM 306 CA GLN A 22 -14.623 -9.658 -6.019 1.00 0.00 C ATOM 307 C GLN A 22 -14.643 -9.800 -4.501 1.00 0.00 C ATOM 308 O GLN A 22 -14.931 -8.844 -3.782 1.00 0.00 O ATOM 309 CB GLN A 22 -13.182 -9.706 -6.529 1.00 0.00 C ATOM 310 CG GLN A 22 -13.069 -9.618 -8.043 1.00 0.00 C ATOM 311 CD GLN A 22 -11.677 -9.231 -8.502 1.00 0.00 C ATOM 312 OE1 GLN A 22 -10.678 -9.712 -7.967 1.00 0.00 O ATOM 313 NE2 GLN A 22 -11.604 -8.357 -9.499 1.00 0.00 N ATOM 0 H GLN A 22 -15.080 -7.620 -5.825 1.00 0.00 H new ATOM 0 HA GLN A 22 -15.181 -10.489 -6.450 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -12.620 -8.886 -6.083 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -12.717 -10.632 -6.191 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -13.337 -10.580 -8.480 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -13.787 -8.887 -8.415 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.458 -7.984 -9.913 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -10.694 -8.059 -9.850 1.00 0.00 H new ATOM 322 N ASN A 23 -14.336 -11.000 -4.020 1.00 0.00 N ATOM 323 CA ASN A 23 -14.319 -11.268 -2.586 1.00 0.00 C ATOM 324 C ASN A 23 -13.621 -10.141 -1.831 1.00 0.00 C ATOM 325 O ASN A 23 -12.585 -9.637 -2.266 1.00 0.00 O ATOM 326 CB ASN A 23 -13.619 -12.598 -2.303 1.00 0.00 C ATOM 327 CG ASN A 23 -14.574 -13.775 -2.348 1.00 0.00 C ATOM 328 OD1 ASN A 23 -14.697 -14.527 -1.381 1.00 0.00 O ATOM 329 ND2 ASN A 23 -15.257 -13.940 -3.475 1.00 0.00 N ATOM 0 H ASN A 23 -14.096 -11.803 -4.602 1.00 0.00 H new ATOM 0 HA ASN A 23 -15.351 -11.328 -2.240 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.825 -12.750 -3.034 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.146 -12.555 -1.322 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -15.915 -14.714 -3.564 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -15.124 -13.292 -4.252 1.00 0.00 H new ATOM 336 N SER A 24 -14.194 -9.752 -0.696 1.00 0.00 N ATOM 337 CA SER A 24 -13.628 -8.684 0.119 1.00 0.00 C ATOM 338 C SER A 24 -12.150 -8.937 0.397 1.00 0.00 C ATOM 339 O SER A 24 -11.747 -10.058 0.710 1.00 0.00 O ATOM 340 CB SER A 24 -14.393 -8.561 1.438 1.00 0.00 C ATOM 341 OG SER A 24 -14.292 -7.249 1.966 1.00 0.00 O ATOM 0 H SER A 24 -15.050 -10.161 -0.320 1.00 0.00 H new ATOM 0 HA SER A 24 -13.720 -7.750 -0.435 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.442 -8.813 1.279 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.999 -9.278 2.159 1.00 0.00 H new ATOM 0 HG SER A 24 -14.791 -7.196 2.808 1.00 0.00 H new ATOM 347 N THR A 25 -11.343 -7.886 0.279 1.00 0.00 N ATOM 348 CA THR A 25 -9.909 -7.993 0.516 1.00 0.00 C ATOM 349 C THR A 25 -9.410 -6.849 1.391 1.00 0.00 C ATOM 350 O THR A 25 -10.094 -5.840 1.560 1.00 0.00 O ATOM 351 CB THR A 25 -9.120 -7.995 -0.807 1.00 0.00 C ATOM 352 OG1 THR A 25 -9.550 -6.909 -1.635 1.00 0.00 O ATOM 353 CG2 THR A 25 -9.309 -9.310 -1.547 1.00 0.00 C ATOM 0 H THR A 25 -11.659 -6.951 0.021 1.00 0.00 H new ATOM 0 HA THR A 25 -9.743 -8.939 1.031 1.00 0.00 H new ATOM 0 HB THR A 25 -8.062 -7.876 -0.574 1.00 0.00 H new ATOM 0 HG1 THR A 25 -9.043 -6.916 -2.473 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.743 -9.288 -2.478 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.954 -10.132 -0.925 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.366 -9.454 -1.769 1.00 0.00 H new ATOM 361 N TYR A 26 -8.213 -7.012 1.944 1.00 0.00 N ATOM 362 CA TYR A 26 -7.623 -5.993 2.803 1.00 0.00 C ATOM 363 C TYR A 26 -6.414 -5.348 2.132 1.00 0.00 C ATOM 364 O TYR A 26 -5.468 -6.033 1.744 1.00 0.00 O ATOM 365 CB TYR A 26 -7.211 -6.603 4.144 1.00 0.00 C ATOM 366 CG TYR A 26 -8.377 -6.886 5.064 1.00 0.00 C ATOM 367 CD1 TYR A 26 -9.505 -7.554 4.602 1.00 0.00 C ATOM 368 CD2 TYR A 26 -8.351 -6.487 6.394 1.00 0.00 C ATOM 369 CE1 TYR A 26 -10.573 -7.815 5.438 1.00 0.00 C ATOM 370 CE2 TYR A 26 -9.414 -6.745 7.238 1.00 0.00 C ATOM 371 CZ TYR A 26 -10.523 -7.408 6.756 1.00 0.00 C ATOM 372 OH TYR A 26 -11.584 -7.666 7.593 1.00 0.00 O ATOM 0 H TYR A 26 -7.633 -7.840 1.812 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.373 -5.222 2.977 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.670 -7.531 3.960 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.520 -5.925 4.645 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.547 -7.874 3.572 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.485 -5.966 6.775 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.442 -8.335 5.063 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.377 -6.429 8.270 1.00 0.00 H new ATOM 0 HH TYR A 26 -11.248 -7.964 8.464 1.00 0.00 H new ATOM 382 N GLN A 27 -6.453 -4.026 2.000 1.00 0.00 N ATOM 383 CA GLN A 27 -5.361 -3.288 1.376 1.00 0.00 C ATOM 384 C GLN A 27 -4.338 -2.846 2.417 1.00 0.00 C ATOM 385 O GLN A 27 -4.583 -1.918 3.188 1.00 0.00 O ATOM 386 CB GLN A 27 -5.904 -2.070 0.628 1.00 0.00 C ATOM 387 CG GLN A 27 -6.242 -2.351 -0.827 1.00 0.00 C ATOM 388 CD GLN A 27 -5.100 -2.018 -1.767 1.00 0.00 C ATOM 389 OE1 GLN A 27 -5.262 -1.244 -2.710 1.00 0.00 O ATOM 390 NE2 GLN A 27 -3.935 -2.603 -1.513 1.00 0.00 N ATOM 0 H GLN A 27 -7.229 -3.444 2.317 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.866 -3.951 0.666 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.798 -1.710 1.137 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.167 -1.268 0.673 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.504 -3.403 -0.938 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.121 -1.772 -1.110 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.845 -3.238 -0.720 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.130 -2.417 -2.111 1.00 0.00 H new ATOM 399 N CYS A 28 -3.192 -3.518 2.435 1.00 0.00 N ATOM 400 CA CYS A 28 -2.131 -3.195 3.382 1.00 0.00 C ATOM 401 C CYS A 28 -1.600 -1.784 3.144 1.00 0.00 C ATOM 402 O CYS A 28 -1.073 -1.479 2.074 1.00 0.00 O ATOM 403 CB CYS A 28 -0.990 -4.208 3.265 1.00 0.00 C ATOM 404 SG CYS A 28 0.064 -4.314 4.747 1.00 0.00 S ATOM 0 H CYS A 28 -2.974 -4.290 1.805 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.548 -3.242 4.388 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.412 -5.192 3.061 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.369 -3.943 2.409 1.00 0.00 H new ATOM 409 N LYS A 29 -1.742 -0.928 4.150 1.00 0.00 N ATOM 410 CA LYS A 29 -1.277 0.450 4.054 1.00 0.00 C ATOM 411 C LYS A 29 0.235 0.529 4.244 1.00 0.00 C ATOM 412 O LYS A 29 0.795 1.614 4.401 1.00 0.00 O ATOM 413 CB LYS A 29 -1.978 1.322 5.098 1.00 0.00 C ATOM 414 CG LYS A 29 -1.279 1.338 6.446 1.00 0.00 C ATOM 415 CD LYS A 29 -1.434 0.011 7.171 1.00 0.00 C ATOM 416 CE LYS A 29 -2.851 -0.177 7.692 1.00 0.00 C ATOM 417 NZ LYS A 29 -3.224 -1.616 7.778 1.00 0.00 N ATOM 0 H LYS A 29 -2.176 -1.165 5.042 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.521 0.820 3.058 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.045 2.342 4.721 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.999 0.964 5.232 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.220 1.555 6.305 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.690 2.139 7.060 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.182 -0.806 6.495 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.730 -0.035 8.002 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.939 0.281 8.677 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.551 0.341 7.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.196 -1.702 8.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.164 -2.047 6.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.572 -2.106 8.424 1.00 0.00 H new ATOM 431 N HIS A 30 0.890 -0.628 4.227 1.00 0.00 N ATOM 432 CA HIS A 30 2.337 -0.690 4.395 1.00 0.00 C ATOM 433 C HIS A 30 3.028 -0.956 3.062 1.00 0.00 C ATOM 434 O HIS A 30 4.038 -0.330 2.738 1.00 0.00 O ATOM 435 CB HIS A 30 2.709 -1.779 5.402 1.00 0.00 C ATOM 436 CG HIS A 30 2.769 -1.291 6.817 1.00 0.00 C ATOM 437 ND1 HIS A 30 1.660 -0.858 7.512 1.00 0.00 N ATOM 438 CD2 HIS A 30 3.815 -1.170 7.668 1.00 0.00 C ATOM 439 CE1 HIS A 30 2.021 -0.490 8.729 1.00 0.00 C ATOM 440 NE2 HIS A 30 3.323 -0.671 8.849 1.00 0.00 N ATOM 0 H HIS A 30 0.441 -1.535 4.099 1.00 0.00 H new ATOM 0 HA HIS A 30 2.675 0.275 4.773 1.00 0.00 H new ATOM 0 HB2 HIS A 30 1.981 -2.588 5.336 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.677 -2.199 5.130 1.00 0.00 H new ATOM 0 HD2 HIS A 30 4.844 -1.419 7.457 1.00 0.00 H new ATOM 0 HE1 HIS A 30 1.363 -0.107 9.495 1.00 0.00 H new ATOM 0 HE2 HIS A 30 3.874 -0.472 9.684 1.00 0.00 H new ATOM 448 N CYS A 31 2.479 -1.890 2.292 1.00 0.00 N ATOM 449 CA CYS A 31 3.043 -2.241 0.994 1.00 0.00 C ATOM 450 C CYS A 31 1.987 -2.137 -0.103 1.00 0.00 C ATOM 451 O CYS A 31 2.305 -2.189 -1.291 1.00 0.00 O ATOM 452 CB CYS A 31 3.618 -3.659 1.031 1.00 0.00 C ATOM 453 SG CYS A 31 2.434 -4.927 1.585 1.00 0.00 S ATOM 0 H CYS A 31 1.644 -2.418 2.545 1.00 0.00 H new ATOM 0 HA CYS A 31 3.845 -1.537 0.771 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.975 -3.921 0.035 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.484 -3.671 1.693 1.00 0.00 H new ATOM 458 N ASP A 32 0.731 -1.991 0.304 1.00 0.00 N ATOM 459 CA ASP A 32 -0.371 -1.878 -0.644 1.00 0.00 C ATOM 460 C ASP A 32 -0.693 -3.232 -1.267 1.00 0.00 C ATOM 461 O ASP A 32 -0.885 -3.339 -2.478 1.00 0.00 O ATOM 462 CB ASP A 32 -0.029 -0.867 -1.739 1.00 0.00 C ATOM 463 CG ASP A 32 -1.263 -0.216 -2.333 1.00 0.00 C ATOM 464 OD1 ASP A 32 -2.294 -0.149 -1.631 1.00 0.00 O ATOM 465 OD2 ASP A 32 -1.198 0.225 -3.500 1.00 0.00 O ATOM 0 H ASP A 32 0.451 -1.948 1.284 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.250 -1.530 -0.101 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.622 -0.096 -1.327 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.530 -1.367 -2.530 1.00 0.00 H new ATOM 470 N SER A 33 -0.749 -4.264 -0.431 1.00 0.00 N ATOM 471 CA SER A 33 -1.042 -5.613 -0.901 1.00 0.00 C ATOM 472 C SER A 33 -2.527 -5.929 -0.754 1.00 0.00 C ATOM 473 O SER A 33 -3.324 -5.066 -0.384 1.00 0.00 O ATOM 474 CB SER A 33 -0.212 -6.638 -0.126 1.00 0.00 C ATOM 475 OG SER A 33 -0.074 -7.843 -0.859 1.00 0.00 O ATOM 0 H SER A 33 -0.595 -4.192 0.575 1.00 0.00 H new ATOM 0 HA SER A 33 -0.779 -5.668 -1.957 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.773 -6.225 0.089 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.687 -6.845 0.833 1.00 0.00 H new ATOM 0 HG SER A 33 0.462 -8.481 -0.343 1.00 0.00 H new ATOM 481 N LYS A 34 -2.893 -7.173 -1.046 1.00 0.00 N ATOM 482 CA LYS A 34 -4.282 -7.606 -0.946 1.00 0.00 C ATOM 483 C LYS A 34 -4.387 -8.926 -0.189 1.00 0.00 C ATOM 484 O LYS A 34 -3.743 -9.913 -0.549 1.00 0.00 O ATOM 485 CB LYS A 34 -4.893 -7.755 -2.341 1.00 0.00 C ATOM 486 CG LYS A 34 -5.450 -6.459 -2.903 1.00 0.00 C ATOM 487 CD LYS A 34 -6.376 -6.714 -4.080 1.00 0.00 C ATOM 488 CE LYS A 34 -5.593 -6.942 -5.365 1.00 0.00 C ATOM 489 NZ LYS A 34 -6.388 -6.579 -6.570 1.00 0.00 N ATOM 0 H LYS A 34 -2.246 -7.899 -1.354 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.835 -6.846 -0.394 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.134 -8.140 -3.022 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.691 -8.497 -2.302 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.992 -5.926 -2.122 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.629 -5.815 -3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.999 -7.584 -3.873 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.047 -5.865 -4.207 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.677 -6.351 -5.342 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.295 -7.989 -5.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.820 -6.748 -7.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.249 -7.161 -6.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.651 -5.574 -6.523 1.00 0.00 H new ATOM 503 N LEU A 35 -5.201 -8.938 0.860 1.00 0.00 N ATOM 504 CA LEU A 35 -5.392 -10.139 1.667 1.00 0.00 C ATOM 505 C LEU A 35 -6.867 -10.520 1.735 1.00 0.00 C ATOM 506 O LEU A 35 -7.744 -9.658 1.681 1.00 0.00 O ATOM 507 CB LEU A 35 -4.844 -9.920 3.078 1.00 0.00 C ATOM 508 CG LEU A 35 -3.322 -9.958 3.221 1.00 0.00 C ATOM 509 CD1 LEU A 35 -2.674 -8.937 2.298 1.00 0.00 C ATOM 510 CD2 LEU A 35 -2.916 -9.707 4.666 1.00 0.00 C ATOM 0 H LEU A 35 -5.740 -8.130 1.172 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.847 -10.956 1.195 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.199 -8.954 3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.269 -10.680 3.733 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.973 -10.950 2.934 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.591 -8.978 2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.938 -9.162 1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.028 -7.939 2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.830 -9.738 4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.277 -8.728 4.980 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.351 -10.476 5.305 1.00 0.00 H new ATOM 522 N GLN A 36 -7.132 -11.817 1.856 1.00 0.00 N ATOM 523 CA GLN A 36 -8.502 -12.312 1.933 1.00 0.00 C ATOM 524 C GLN A 36 -9.255 -11.652 3.083 1.00 0.00 C ATOM 525 O GLN A 36 -10.311 -11.052 2.883 1.00 0.00 O ATOM 526 CB GLN A 36 -8.508 -13.832 2.110 1.00 0.00 C ATOM 527 CG GLN A 36 -9.748 -14.505 1.543 1.00 0.00 C ATOM 528 CD GLN A 36 -10.073 -14.041 0.137 1.00 0.00 C ATOM 529 OE1 GLN A 36 -9.596 -14.613 -0.843 1.00 0.00 O ATOM 530 NE2 GLN A 36 -10.889 -12.999 0.031 1.00 0.00 N ATOM 0 H GLN A 36 -6.417 -12.543 1.903 1.00 0.00 H new ATOM 0 HA GLN A 36 -9.006 -12.060 1.000 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.625 -14.249 1.626 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.431 -14.066 3.172 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.601 -15.585 1.540 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -10.598 -14.300 2.194 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.261 -12.555 0.871 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.144 -12.642 -0.890 1.00 0.00 H new ATOM 539 N SER A 37 -8.706 -11.768 4.288 1.00 0.00 N ATOM 540 CA SER A 37 -9.328 -11.185 5.471 1.00 0.00 C ATOM 541 C SER A 37 -8.291 -10.925 6.559 1.00 0.00 C ATOM 542 O SER A 37 -7.113 -11.249 6.401 1.00 0.00 O ATOM 543 CB SER A 37 -10.423 -12.111 6.006 1.00 0.00 C ATOM 544 OG SER A 37 -11.256 -11.435 6.931 1.00 0.00 O ATOM 0 H SER A 37 -7.832 -12.260 4.471 1.00 0.00 H new ATOM 0 HA SER A 37 -9.774 -10.233 5.184 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.024 -12.486 5.177 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.968 -12.977 6.487 1.00 0.00 H new ATOM 0 HG SER A 37 -11.948 -12.048 7.256 1.00 0.00 H new ATOM 550 N THR A 38 -8.736 -10.338 7.665 1.00 0.00 N ATOM 551 CA THR A 38 -7.848 -10.032 8.779 1.00 0.00 C ATOM 552 C THR A 38 -6.959 -11.224 9.116 1.00 0.00 C ATOM 553 O THR A 38 -5.743 -11.087 9.242 1.00 0.00 O ATOM 554 CB THR A 38 -8.642 -9.626 10.036 1.00 0.00 C ATOM 555 OG1 THR A 38 -9.457 -8.484 9.752 1.00 0.00 O ATOM 556 CG2 THR A 38 -7.703 -9.312 11.191 1.00 0.00 C ATOM 0 H THR A 38 -9.707 -10.065 7.813 1.00 0.00 H new ATOM 0 HA THR A 38 -7.225 -9.194 8.466 1.00 0.00 H new ATOM 0 HB THR A 38 -9.278 -10.463 10.324 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.256 -8.154 8.851 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.286 -9.028 12.067 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.105 -10.193 11.423 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.044 -8.490 10.911 1.00 0.00 H new ATOM 564 N ALA A 39 -7.574 -12.393 9.261 1.00 0.00 N ATOM 565 CA ALA A 39 -6.838 -13.609 9.581 1.00 0.00 C ATOM 566 C ALA A 39 -5.493 -13.642 8.863 1.00 0.00 C ATOM 567 O ALA A 39 -4.496 -14.109 9.413 1.00 0.00 O ATOM 568 CB ALA A 39 -7.661 -14.836 9.218 1.00 0.00 C ATOM 0 H ALA A 39 -8.581 -12.523 9.162 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.648 -13.616 10.654 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.098 -15.737 9.463 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.595 -14.827 9.780 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.880 -14.824 8.150 1.00 0.00 H new ATOM 574 N GLU A 40 -5.473 -13.143 7.631 1.00 0.00 N ATOM 575 CA GLU A 40 -4.249 -13.117 6.838 1.00 0.00 C ATOM 576 C GLU A 40 -3.388 -11.912 7.205 1.00 0.00 C ATOM 577 O GLU A 40 -2.162 -12.007 7.270 1.00 0.00 O ATOM 578 CB GLU A 40 -4.584 -13.082 5.345 1.00 0.00 C ATOM 579 CG GLU A 40 -4.864 -14.452 4.752 1.00 0.00 C ATOM 580 CD GLU A 40 -5.950 -15.201 5.500 1.00 0.00 C ATOM 581 OE1 GLU A 40 -7.116 -14.754 5.456 1.00 0.00 O ATOM 582 OE2 GLU A 40 -5.635 -16.232 6.130 1.00 0.00 O ATOM 0 H GLU A 40 -6.289 -12.752 7.161 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.686 -14.024 7.056 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.454 -12.444 5.191 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.754 -12.625 4.806 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.159 -14.339 3.709 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.948 -15.042 4.762 1.00 0.00 H new ATOM 589 N LEU A 41 -4.038 -10.778 7.445 1.00 0.00 N ATOM 590 CA LEU A 41 -3.333 -9.553 7.806 1.00 0.00 C ATOM 591 C LEU A 41 -2.569 -9.730 9.114 1.00 0.00 C ATOM 592 O LEU A 41 -1.421 -9.301 9.238 1.00 0.00 O ATOM 593 CB LEU A 41 -4.320 -8.392 7.932 1.00 0.00 C ATOM 594 CG LEU A 41 -3.727 -6.989 7.797 1.00 0.00 C ATOM 595 CD1 LEU A 41 -3.194 -6.768 6.390 1.00 0.00 C ATOM 596 CD2 LEU A 41 -4.766 -5.934 8.148 1.00 0.00 C ATOM 0 H LEU A 41 -5.052 -10.682 7.396 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.617 -9.329 7.016 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.092 -8.513 7.172 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.813 -8.464 8.901 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.896 -6.898 8.497 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.776 -5.764 6.313 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.417 -7.502 6.176 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.006 -6.879 5.672 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.326 -4.942 8.046 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.618 -6.024 7.474 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.099 -6.079 9.176 1.00 0.00 H new ATOM 608 N THR A 42 -3.211 -10.368 10.087 1.00 0.00 N ATOM 609 CA THR A 42 -2.592 -10.603 11.386 1.00 0.00 C ATOM 610 C THR A 42 -1.215 -11.238 11.231 1.00 0.00 C ATOM 611 O THR A 42 -0.324 -11.017 12.051 1.00 0.00 O ATOM 612 CB THR A 42 -3.468 -11.511 12.269 1.00 0.00 C ATOM 613 OG1 THR A 42 -4.760 -10.922 12.449 1.00 0.00 O ATOM 614 CG2 THR A 42 -2.815 -11.739 13.625 1.00 0.00 C ATOM 0 H THR A 42 -4.160 -10.732 10.000 1.00 0.00 H new ATOM 0 HA THR A 42 -2.488 -9.631 11.868 1.00 0.00 H new ATOM 0 HB THR A 42 -3.576 -12.473 11.768 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.311 -11.507 13.010 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.452 -12.383 14.232 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.844 -12.215 13.486 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.681 -10.782 14.130 1.00 0.00 H new ATOM 622 N SER A 43 -1.047 -12.027 10.174 1.00 0.00 N ATOM 623 CA SER A 43 0.221 -12.696 9.914 1.00 0.00 C ATOM 624 C SER A 43 1.084 -11.875 8.961 1.00 0.00 C ATOM 625 O SER A 43 2.296 -11.757 9.146 1.00 0.00 O ATOM 626 CB SER A 43 -0.023 -14.088 9.328 1.00 0.00 C ATOM 627 OG SER A 43 1.097 -14.931 9.532 1.00 0.00 O ATOM 0 H SER A 43 -1.774 -12.218 9.484 1.00 0.00 H new ATOM 0 HA SER A 43 0.751 -12.796 10.861 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.905 -14.531 9.791 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.230 -14.006 8.261 1.00 0.00 H new ATOM 0 HG SER A 43 0.915 -15.815 9.150 1.00 0.00 H new ATOM 633 N HIS A 44 0.450 -11.308 7.939 1.00 0.00 N ATOM 634 CA HIS A 44 1.158 -10.496 6.956 1.00 0.00 C ATOM 635 C HIS A 44 1.861 -9.320 7.627 1.00 0.00 C ATOM 636 O HIS A 44 3.047 -9.078 7.396 1.00 0.00 O ATOM 637 CB HIS A 44 0.187 -9.985 5.891 1.00 0.00 C ATOM 638 CG HIS A 44 0.799 -8.994 4.949 1.00 0.00 C ATOM 639 ND1 HIS A 44 1.406 -9.356 3.765 1.00 0.00 N ATOM 640 CD2 HIS A 44 0.893 -7.646 5.021 1.00 0.00 C ATOM 641 CE1 HIS A 44 1.849 -8.274 3.150 1.00 0.00 C ATOM 642 NE2 HIS A 44 1.550 -7.223 3.891 1.00 0.00 N ATOM 0 H HIS A 44 -0.552 -11.396 7.770 1.00 0.00 H new ATOM 0 HA HIS A 44 1.912 -11.122 6.479 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.191 -10.832 5.319 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.670 -9.525 6.383 1.00 0.00 H new ATOM 0 HD1 HIS A 44 1.499 -10.311 3.418 1.00 0.00 H new ATOM 0 HD2 HIS A 44 0.521 -7.019 5.818 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.367 -8.253 2.203 1.00 0.00 H new ATOM 650 N LEU A 45 1.124 -8.592 8.457 1.00 0.00 N ATOM 651 CA LEU A 45 1.676 -7.440 9.162 1.00 0.00 C ATOM 652 C LEU A 45 2.956 -7.817 9.902 1.00 0.00 C ATOM 653 O LEU A 45 3.944 -7.086 9.864 1.00 0.00 O ATOM 654 CB LEU A 45 0.649 -6.880 10.147 1.00 0.00 C ATOM 655 CG LEU A 45 -0.281 -5.795 9.603 1.00 0.00 C ATOM 656 CD1 LEU A 45 -1.254 -5.338 10.678 1.00 0.00 C ATOM 657 CD2 LEU A 45 0.524 -4.617 9.074 1.00 0.00 C ATOM 0 H LEU A 45 0.142 -8.779 8.659 1.00 0.00 H new ATOM 0 HA LEU A 45 1.917 -6.674 8.424 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.037 -7.705 10.512 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.183 -6.475 11.007 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.855 -6.216 8.778 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.908 -4.566 10.273 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.855 -6.185 11.009 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.698 -4.935 11.524 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.155 -3.855 8.691 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.125 -4.196 9.880 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.179 -4.955 8.271 1.00 0.00 H new ATOM 669 N ASN A 46 2.929 -8.964 10.573 1.00 0.00 N ATOM 670 CA ASN A 46 4.087 -9.439 11.321 1.00 0.00 C ATOM 671 C ASN A 46 5.351 -9.368 10.469 1.00 0.00 C ATOM 672 O ASN A 46 6.429 -9.041 10.966 1.00 0.00 O ATOM 673 CB ASN A 46 3.859 -10.875 11.797 1.00 0.00 C ATOM 674 CG ASN A 46 3.151 -10.935 13.136 1.00 0.00 C ATOM 675 OD1 ASN A 46 3.635 -11.563 14.079 1.00 0.00 O ATOM 676 ND2 ASN A 46 2.000 -10.280 13.226 1.00 0.00 N ATOM 0 H ASN A 46 2.118 -9.581 10.614 1.00 0.00 H new ATOM 0 HA ASN A 46 4.218 -8.793 12.189 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.270 -11.412 11.053 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.819 -11.386 11.873 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.478 -10.284 14.103 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.637 -9.773 12.419 1.00 0.00 H new ATOM 683 N ILE A 47 5.210 -9.675 9.184 1.00 0.00 N ATOM 684 CA ILE A 47 6.339 -9.644 8.263 1.00 0.00 C ATOM 685 C ILE A 47 7.057 -8.300 8.319 1.00 0.00 C ATOM 686 O ILE A 47 8.267 -8.221 8.102 1.00 0.00 O ATOM 687 CB ILE A 47 5.892 -9.915 6.815 1.00 0.00 C ATOM 688 CG1 ILE A 47 5.236 -11.294 6.709 1.00 0.00 C ATOM 689 CG2 ILE A 47 7.077 -9.812 5.866 1.00 0.00 C ATOM 690 CD1 ILE A 47 4.464 -11.499 5.425 1.00 0.00 C ATOM 0 H ILE A 47 4.325 -9.948 8.757 1.00 0.00 H new ATOM 0 HA ILE A 47 7.024 -10.432 8.576 1.00 0.00 H new ATOM 0 HB ILE A 47 5.157 -9.161 6.531 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.007 -12.061 6.786 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.562 -11.433 7.555 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.744 -10.006 4.846 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.504 -8.811 5.924 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.833 -10.545 6.147 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.027 -12.497 5.419 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.671 -10.755 5.355 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.138 -11.393 4.575 1.00 0.00 H new ATOM 702 N HIS A 48 6.305 -7.245 8.613 1.00 0.00 N ATOM 703 CA HIS A 48 6.870 -5.903 8.700 1.00 0.00 C ATOM 704 C HIS A 48 7.534 -5.680 10.055 1.00 0.00 C ATOM 705 O HIS A 48 8.709 -5.324 10.130 1.00 0.00 O ATOM 706 CB HIS A 48 5.782 -4.853 8.472 1.00 0.00 C ATOM 707 CG HIS A 48 5.231 -4.853 7.080 1.00 0.00 C ATOM 708 ND1 HIS A 48 6.024 -4.968 5.957 1.00 0.00 N ATOM 709 CD2 HIS A 48 3.958 -4.752 6.631 1.00 0.00 C ATOM 710 CE1 HIS A 48 5.262 -4.937 4.878 1.00 0.00 C ATOM 711 NE2 HIS A 48 4.004 -4.807 5.260 1.00 0.00 N ATOM 0 H HIS A 48 5.303 -7.293 8.795 1.00 0.00 H new ATOM 0 HA HIS A 48 7.628 -5.803 7.923 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.968 -5.027 9.176 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.189 -3.866 8.693 1.00 0.00 H new ATOM 0 HD1 HIS A 48 7.040 -5.062 5.959 1.00 0.00 H new ATOM 0 HD2 HIS A 48 3.071 -4.648 7.238 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.609 -5.006 3.857 1.00 0.00 H new ATOM 719 N ASN A 49 6.772 -5.891 11.124 1.00 0.00 N ATOM 720 CA ASN A 49 7.286 -5.711 12.476 1.00 0.00 C ATOM 721 C ASN A 49 8.654 -6.368 12.630 1.00 0.00 C ATOM 722 O ASN A 49 9.619 -5.725 13.040 1.00 0.00 O ATOM 723 CB ASN A 49 6.309 -6.297 13.498 1.00 0.00 C ATOM 724 CG ASN A 49 4.980 -5.566 13.512 1.00 0.00 C ATOM 725 OD1 ASN A 49 4.931 -4.342 13.382 1.00 0.00 O ATOM 726 ND2 ASN A 49 3.895 -6.314 13.672 1.00 0.00 N ATOM 0 H ASN A 49 5.797 -6.187 11.079 1.00 0.00 H new ATOM 0 HA ASN A 49 7.393 -4.642 12.657 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.139 -7.350 13.272 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.756 -6.252 14.491 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.973 -5.878 13.691 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.983 -7.325 13.776 1.00 0.00 H new ATOM 733 N GLU A 50 8.728 -7.653 12.297 1.00 0.00 N ATOM 734 CA GLU A 50 9.978 -8.397 12.398 1.00 0.00 C ATOM 735 C GLU A 50 11.104 -7.673 11.665 1.00 0.00 C ATOM 736 O GLU A 50 12.244 -7.649 12.126 1.00 0.00 O ATOM 737 CB GLU A 50 9.807 -9.806 11.827 1.00 0.00 C ATOM 738 CG GLU A 50 9.810 -9.852 10.308 1.00 0.00 C ATOM 739 CD GLU A 50 11.211 -9.891 9.729 1.00 0.00 C ATOM 740 OE1 GLU A 50 12.137 -10.321 10.448 1.00 0.00 O ATOM 741 OE2 GLU A 50 11.381 -9.493 8.558 1.00 0.00 O ATOM 0 H GLU A 50 7.938 -8.200 11.955 1.00 0.00 H new ATOM 0 HA GLU A 50 10.242 -8.470 13.453 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.609 -10.441 12.203 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.870 -10.226 12.193 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.258 -10.730 9.974 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.285 -8.979 9.921 1.00 0.00 H new ATOM 748 N GLU A 51 10.773 -7.084 10.520 1.00 0.00 N ATOM 749 CA GLU A 51 11.756 -6.360 9.722 1.00 0.00 C ATOM 750 C GLU A 51 12.214 -5.094 10.440 1.00 0.00 C ATOM 751 O GLU A 51 13.402 -4.773 10.459 1.00 0.00 O ATOM 752 CB GLU A 51 11.171 -6.000 8.355 1.00 0.00 C ATOM 753 CG GLU A 51 11.264 -7.125 7.338 1.00 0.00 C ATOM 754 CD GLU A 51 11.227 -6.623 5.907 1.00 0.00 C ATOM 755 OE1 GLU A 51 10.402 -5.733 5.613 1.00 0.00 O ATOM 756 OE2 GLU A 51 12.023 -7.119 5.083 1.00 0.00 O ATOM 0 H GLU A 51 9.833 -7.094 10.125 1.00 0.00 H new ATOM 0 HA GLU A 51 12.620 -7.010 9.580 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.125 -5.719 8.479 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.692 -5.125 7.965 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.187 -7.681 7.500 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.441 -7.822 7.496 1.00 0.00 H new ATOM 763 N PHE A 52 11.262 -4.379 11.031 1.00 0.00 N ATOM 764 CA PHE A 52 11.567 -3.147 11.750 1.00 0.00 C ATOM 765 C PHE A 52 12.792 -3.326 12.642 1.00 0.00 C ATOM 766 O PHE A 52 13.723 -2.523 12.602 1.00 0.00 O ATOM 767 CB PHE A 52 10.366 -2.714 12.594 1.00 0.00 C ATOM 768 CG PHE A 52 10.373 -1.253 12.941 1.00 0.00 C ATOM 769 CD1 PHE A 52 11.200 -0.769 13.942 1.00 0.00 C ATOM 770 CD2 PHE A 52 9.552 -0.363 12.266 1.00 0.00 C ATOM 771 CE1 PHE A 52 11.207 0.575 14.263 1.00 0.00 C ATOM 772 CE2 PHE A 52 9.556 0.982 12.583 1.00 0.00 C ATOM 773 CZ PHE A 52 10.385 1.452 13.582 1.00 0.00 C ATOM 0 H PHE A 52 10.274 -4.631 11.026 1.00 0.00 H new ATOM 0 HA PHE A 52 11.785 -2.372 11.016 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.449 -2.946 12.053 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.349 -3.298 13.514 1.00 0.00 H new ATOM 0 HD1 PHE A 52 11.846 -1.449 14.477 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.902 -0.725 11.483 1.00 0.00 H new ATOM 0 HE1 PHE A 52 11.855 0.940 15.046 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.911 1.665 12.050 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.391 2.503 13.831 1.00 0.00 H new ATOM 783 N GLN A 53 12.782 -4.385 13.445 1.00 0.00 N ATOM 784 CA GLN A 53 13.891 -4.669 14.347 1.00 0.00 C ATOM 785 C GLN A 53 15.177 -4.920 13.567 1.00 0.00 C ATOM 786 O GLN A 53 16.233 -4.379 13.897 1.00 0.00 O ATOM 787 CB GLN A 53 13.567 -5.881 15.222 1.00 0.00 C ATOM 788 CG GLN A 53 12.380 -5.664 16.147 1.00 0.00 C ATOM 789 CD GLN A 53 12.662 -4.638 17.227 1.00 0.00 C ATOM 790 OE1 GLN A 53 13.728 -4.645 17.843 1.00 0.00 O ATOM 791 NE2 GLN A 53 11.705 -3.748 17.463 1.00 0.00 N ATOM 0 H GLN A 53 12.019 -5.060 13.489 1.00 0.00 H new ATOM 0 HA GLN A 53 14.039 -3.798 14.985 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.365 -6.738 14.580 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.443 -6.131 15.821 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.521 -5.341 15.559 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.109 -6.611 16.613 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.837 -3.779 16.929 1.00 0.00 H new ATOM 0 HE22 GLN A 53 11.838 -3.034 18.179 1.00 0.00 H new ATOM 800 N LYS A 54 15.083 -5.744 12.529 1.00 0.00 N ATOM 801 CA LYS A 54 16.238 -6.067 11.700 1.00 0.00 C ATOM 802 C LYS A 54 16.871 -4.801 11.132 1.00 0.00 C ATOM 803 O LYS A 54 18.001 -4.454 11.474 1.00 0.00 O ATOM 804 CB LYS A 54 15.827 -7.001 10.559 1.00 0.00 C ATOM 805 CG LYS A 54 16.917 -7.976 10.149 1.00 0.00 C ATOM 806 CD LYS A 54 17.838 -7.374 9.101 1.00 0.00 C ATOM 807 CE LYS A 54 19.051 -6.715 9.738 1.00 0.00 C ATOM 808 NZ LYS A 54 20.194 -7.661 9.866 1.00 0.00 N ATOM 0 H LYS A 54 14.218 -6.201 12.242 1.00 0.00 H new ATOM 0 HA LYS A 54 16.974 -6.570 12.326 1.00 0.00 H new ATOM 0 HB2 LYS A 54 14.943 -7.563 10.861 1.00 0.00 H new ATOM 0 HB3 LYS A 54 15.543 -6.401 9.694 1.00 0.00 H new ATOM 0 HG2 LYS A 54 17.499 -8.262 11.025 1.00 0.00 H new ATOM 0 HG3 LYS A 54 16.464 -8.886 9.757 1.00 0.00 H new ATOM 0 HD2 LYS A 54 18.165 -8.153 8.412 1.00 0.00 H new ATOM 0 HD3 LYS A 54 17.290 -6.638 8.513 1.00 0.00 H new ATOM 0 HE2 LYS A 54 19.355 -5.857 9.138 1.00 0.00 H new ATOM 0 HE3 LYS A 54 18.782 -6.335 10.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 21.001 -7.173 10.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 19.913 -8.467 10.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 20.468 -8.004 8.923 1.00 0.00 H new ATOM 822 N ARG A 55 16.134 -4.114 10.265 1.00 0.00 N ATOM 823 CA ARG A 55 16.624 -2.887 9.650 1.00 0.00 C ATOM 824 C ARG A 55 17.203 -1.945 10.703 1.00 0.00 C ATOM 825 O ARG A 55 18.375 -1.576 10.642 1.00 0.00 O ATOM 826 CB ARG A 55 15.497 -2.187 8.889 1.00 0.00 C ATOM 827 CG ARG A 55 14.979 -2.981 7.702 1.00 0.00 C ATOM 828 CD ARG A 55 14.417 -2.068 6.623 1.00 0.00 C ATOM 829 NE ARG A 55 13.065 -1.616 6.938 1.00 0.00 N ATOM 830 CZ ARG A 55 12.191 -1.219 6.020 1.00 0.00 C ATOM 831 NH1 ARG A 55 12.525 -1.218 4.737 1.00 0.00 N ATOM 832 NH2 ARG A 55 10.978 -0.821 6.385 1.00 0.00 N ATOM 0 H ARG A 55 15.196 -4.387 9.973 1.00 0.00 H new ATOM 0 HA ARG A 55 17.416 -3.152 8.949 1.00 0.00 H new ATOM 0 HB2 ARG A 55 14.672 -1.995 9.575 1.00 0.00 H new ATOM 0 HB3 ARG A 55 15.853 -1.218 8.539 1.00 0.00 H new ATOM 0 HG2 ARG A 55 15.786 -3.584 7.286 1.00 0.00 H new ATOM 0 HG3 ARG A 55 14.205 -3.672 8.035 1.00 0.00 H new ATOM 0 HD2 ARG A 55 15.070 -1.203 6.504 1.00 0.00 H new ATOM 0 HD3 ARG A 55 14.410 -2.596 5.669 1.00 0.00 H new ATOM 0 HE ARG A 55 12.776 -1.604 7.916 1.00 0.00 H new ATOM 0 HH11 ARG A 55 13.456 -1.523 4.452 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.851 -0.912 4.035 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.717 -0.820 7.371 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.307 -0.516 5.679 1.00 0.00 H new ATOM 846 N ALA A 56 16.372 -1.561 11.666 1.00 0.00 N ATOM 847 CA ALA A 56 16.802 -0.665 12.732 1.00 0.00 C ATOM 848 C ALA A 56 17.553 0.537 12.170 1.00 0.00 C ATOM 849 O ALA A 56 18.560 0.971 12.730 1.00 0.00 O ATOM 850 CB ALA A 56 17.671 -1.412 13.733 1.00 0.00 C ATOM 0 H ALA A 56 15.398 -1.856 11.730 1.00 0.00 H new ATOM 0 HA ALA A 56 15.912 -0.298 13.244 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.984 -0.730 14.523 1.00 0.00 H new ATOM 0 HB2 ALA A 56 17.101 -2.233 14.168 1.00 0.00 H new ATOM 0 HB3 ALA A 56 18.551 -1.809 13.226 1.00 0.00 H new ATOM 856 N LYS A 57 17.059 1.071 11.058 1.00 0.00 N ATOM 857 CA LYS A 57 17.682 2.223 10.419 1.00 0.00 C ATOM 858 C LYS A 57 16.828 3.474 10.599 1.00 0.00 C ATOM 859 O LYS A 57 17.349 4.565 10.834 1.00 0.00 O ATOM 860 CB LYS A 57 17.899 1.951 8.929 1.00 0.00 C ATOM 861 CG LYS A 57 18.605 3.081 8.200 1.00 0.00 C ATOM 862 CD LYS A 57 20.033 3.253 8.688 1.00 0.00 C ATOM 863 CE LYS A 57 20.807 4.229 7.815 1.00 0.00 C ATOM 864 NZ LYS A 57 21.471 3.544 6.672 1.00 0.00 N ATOM 0 H LYS A 57 16.228 0.723 10.580 1.00 0.00 H new ATOM 0 HA LYS A 57 18.648 2.392 10.896 1.00 0.00 H new ATOM 0 HB2 LYS A 57 18.482 1.037 8.816 1.00 0.00 H new ATOM 0 HB3 LYS A 57 16.933 1.773 8.457 1.00 0.00 H new ATOM 0 HG2 LYS A 57 18.607 2.879 7.129 1.00 0.00 H new ATOM 0 HG3 LYS A 57 18.055 4.010 8.348 1.00 0.00 H new ATOM 0 HD2 LYS A 57 20.026 3.611 9.718 1.00 0.00 H new ATOM 0 HD3 LYS A 57 20.537 2.286 8.690 1.00 0.00 H new ATOM 0 HE2 LYS A 57 20.129 4.994 7.436 1.00 0.00 H new ATOM 0 HE3 LYS A 57 21.558 4.739 8.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 21.988 4.243 6.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 22.137 2.832 7.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 20.753 3.078 6.082 1.00 0.00 H new ATOM 878 N ARG A 58 15.514 3.308 10.489 1.00 0.00 N ATOM 879 CA ARG A 58 14.588 4.424 10.641 1.00 0.00 C ATOM 880 C ARG A 58 15.101 5.420 11.677 1.00 0.00 C ATOM 881 O ARG A 58 15.771 5.041 12.637 1.00 0.00 O ATOM 882 CB ARG A 58 13.204 3.915 11.049 1.00 0.00 C ATOM 883 CG ARG A 58 12.127 4.987 11.017 1.00 0.00 C ATOM 884 CD ARG A 58 10.737 4.377 10.925 1.00 0.00 C ATOM 885 NE ARG A 58 10.564 3.593 9.705 1.00 0.00 N ATOM 886 CZ ARG A 58 9.378 3.296 9.185 1.00 0.00 C ATOM 887 NH1 ARG A 58 8.267 3.715 9.775 1.00 0.00 N ATOM 888 NH2 ARG A 58 9.301 2.578 8.071 1.00 0.00 N ATOM 0 H ARG A 58 15.067 2.412 10.295 1.00 0.00 H new ATOM 0 HA ARG A 58 14.512 4.933 9.680 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.915 3.101 10.384 1.00 0.00 H new ATOM 0 HB3 ARG A 58 13.261 3.499 12.055 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.197 5.602 11.914 1.00 0.00 H new ATOM 0 HG3 ARG A 58 12.293 5.646 10.165 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.562 3.741 11.793 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.990 5.170 10.955 1.00 0.00 H new ATOM 0 HE ARG A 58 11.399 3.255 9.226 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.321 4.267 10.631 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.358 3.485 9.373 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.153 2.254 7.613 1.00 0.00 H new ATOM 0 HH22 ARG A 58 8.390 2.351 7.673 1.00 0.00 H new ATOM 902 N GLN A 59 14.782 6.694 11.474 1.00 0.00 N ATOM 903 CA GLN A 59 15.212 7.744 12.390 1.00 0.00 C ATOM 904 C GLN A 59 14.275 7.837 13.590 1.00 0.00 C ATOM 905 O GLN A 59 13.942 8.930 14.045 1.00 0.00 O ATOM 906 CB GLN A 59 15.268 9.090 11.666 1.00 0.00 C ATOM 907 CG GLN A 59 14.097 9.324 10.725 1.00 0.00 C ATOM 908 CD GLN A 59 14.039 10.748 10.207 1.00 0.00 C ATOM 909 OE1 GLN A 59 14.594 11.664 10.815 1.00 0.00 O ATOM 910 NE2 GLN A 59 13.365 10.941 9.080 1.00 0.00 N ATOM 0 H GLN A 59 14.228 7.024 10.684 1.00 0.00 H new ATOM 0 HA GLN A 59 16.209 7.491 12.750 1.00 0.00 H new ATOM 0 HB2 GLN A 59 15.294 9.890 12.406 1.00 0.00 H new ATOM 0 HB3 GLN A 59 16.197 9.150 11.099 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.171 8.638 9.882 1.00 0.00 H new ATOM 0 HG3 GLN A 59 13.167 9.092 11.244 1.00 0.00 H new ATOM 0 HE21 GLN A 59 12.921 10.152 8.610 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.291 11.878 8.684 1.00 0.00 H new ATOM 919 N GLU A 60 13.854 6.682 14.096 1.00 0.00 N ATOM 920 CA GLU A 60 12.955 6.634 15.243 1.00 0.00 C ATOM 921 C GLU A 60 11.978 7.806 15.217 1.00 0.00 C ATOM 922 O GLU A 60 11.853 8.546 16.193 1.00 0.00 O ATOM 923 CB GLU A 60 13.754 6.651 16.548 1.00 0.00 C ATOM 924 CG GLU A 60 14.465 5.341 16.843 1.00 0.00 C ATOM 925 CD GLU A 60 15.718 5.532 17.675 1.00 0.00 C ATOM 926 OE1 GLU A 60 15.729 6.443 18.530 1.00 0.00 O ATOM 927 OE2 GLU A 60 16.687 4.771 17.472 1.00 0.00 O ATOM 0 H GLU A 60 14.121 5.768 13.730 1.00 0.00 H new ATOM 0 HA GLU A 60 12.386 5.706 15.187 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.491 7.453 16.502 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.081 6.883 17.373 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.783 4.672 17.368 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.728 4.855 15.903 1.00 0.00 H new ATOM 934 N ARG A 61 11.287 7.969 14.093 1.00 0.00 N ATOM 935 CA ARG A 61 10.323 9.051 13.939 1.00 0.00 C ATOM 936 C ARG A 61 8.919 8.499 13.706 1.00 0.00 C ATOM 937 O ARG A 61 8.699 7.696 12.800 1.00 0.00 O ATOM 938 CB ARG A 61 10.725 9.958 12.774 1.00 0.00 C ATOM 939 CG ARG A 61 9.982 11.284 12.751 1.00 0.00 C ATOM 940 CD ARG A 61 10.677 12.296 11.853 1.00 0.00 C ATOM 941 NE ARG A 61 10.491 11.989 10.437 1.00 0.00 N ATOM 942 CZ ARG A 61 10.572 12.897 9.471 1.00 0.00 C ATOM 943 NH1 ARG A 61 10.834 14.163 9.767 1.00 0.00 N ATOM 944 NH2 ARG A 61 10.391 12.540 8.206 1.00 0.00 N ATOM 0 H ARG A 61 11.377 7.365 13.276 1.00 0.00 H new ATOM 0 HA ARG A 61 10.318 9.634 14.860 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.796 10.152 12.828 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.543 9.433 11.836 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.962 11.125 12.401 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.913 11.681 13.764 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.289 13.293 12.062 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.742 12.314 12.083 1.00 0.00 H new ATOM 0 HE ARG A 61 10.288 11.024 10.176 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.974 14.441 10.738 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.896 14.858 9.023 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.189 11.567 7.974 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.453 13.238 7.465 1.00 0.00 H new ATOM 958 N ARG A 62 7.974 8.935 14.532 1.00 0.00 N ATOM 959 CA ARG A 62 6.592 8.484 14.418 1.00 0.00 C ATOM 960 C ARG A 62 5.805 9.379 13.465 1.00 0.00 C ATOM 961 O ARG A 62 5.380 10.474 13.832 1.00 0.00 O ATOM 962 CB ARG A 62 5.922 8.472 15.793 1.00 0.00 C ATOM 963 CG ARG A 62 6.534 7.471 16.760 1.00 0.00 C ATOM 964 CD ARG A 62 5.929 6.087 16.586 1.00 0.00 C ATOM 965 NE ARG A 62 6.673 5.068 17.321 1.00 0.00 N ATOM 966 CZ ARG A 62 6.593 4.905 18.637 1.00 0.00 C ATOM 967 NH1 ARG A 62 5.804 5.689 19.358 1.00 0.00 N ATOM 968 NH2 ARG A 62 7.302 3.955 19.233 1.00 0.00 N ATOM 0 H ARG A 62 8.140 9.600 15.287 1.00 0.00 H new ATOM 0 HA ARG A 62 6.599 7.471 14.016 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.986 9.470 16.227 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.863 8.245 15.670 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.611 7.421 16.600 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.379 7.811 17.784 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.894 6.098 16.929 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.911 5.830 15.527 1.00 0.00 H new ATOM 0 HE ARG A 62 7.288 4.447 16.795 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.257 6.419 18.903 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.744 5.562 20.368 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.909 3.349 18.681 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.240 3.830 20.243 1.00 0.00 H new ATOM 982 N LYS A 63 5.614 8.904 12.238 1.00 0.00 N ATOM 983 CA LYS A 63 4.878 9.659 11.231 1.00 0.00 C ATOM 984 C LYS A 63 3.390 9.703 11.564 1.00 0.00 C ATOM 985 O LYS A 63 2.759 10.757 11.487 1.00 0.00 O ATOM 986 CB LYS A 63 5.084 9.038 9.848 1.00 0.00 C ATOM 987 CG LYS A 63 4.581 9.910 8.709 1.00 0.00 C ATOM 988 CD LYS A 63 5.580 10.998 8.357 1.00 0.00 C ATOM 989 CE LYS A 63 5.141 11.782 7.130 1.00 0.00 C ATOM 990 NZ LYS A 63 6.289 12.456 6.462 1.00 0.00 N ATOM 0 H LYS A 63 5.959 7.999 11.918 1.00 0.00 H new ATOM 0 HA LYS A 63 5.261 10.679 11.225 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.146 8.841 9.702 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.573 8.076 9.811 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.392 9.291 7.832 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.631 10.364 8.990 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.693 11.677 9.202 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.557 10.551 8.174 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.654 11.109 6.424 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.401 12.528 7.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.948 12.980 5.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.738 13.117 7.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.983 11.742 6.161 1.00 0.00 H new ATOM 1004 N GLN A 64 2.837 8.553 11.936 1.00 0.00 N ATOM 1005 CA GLN A 64 1.423 8.462 12.281 1.00 0.00 C ATOM 1006 C GLN A 64 1.187 8.891 13.726 1.00 0.00 C ATOM 1007 O GLN A 64 2.056 8.726 14.583 1.00 0.00 O ATOM 1008 CB GLN A 64 0.916 7.034 12.071 1.00 0.00 C ATOM 1009 CG GLN A 64 -0.559 6.959 11.714 1.00 0.00 C ATOM 1010 CD GLN A 64 -1.130 5.564 11.880 1.00 0.00 C ATOM 1011 OE1 GLN A 64 -1.098 4.754 10.954 1.00 0.00 O ATOM 1012 NE2 GLN A 64 -1.655 5.276 13.066 1.00 0.00 N ATOM 0 H GLN A 64 3.346 7.672 12.006 1.00 0.00 H new ATOM 0 HA GLN A 64 0.871 9.136 11.626 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.498 6.564 11.278 1.00 0.00 H new ATOM 0 HB3 GLN A 64 1.091 6.458 12.979 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.117 7.653 12.343 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.696 7.283 10.682 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.660 5.978 13.806 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.053 4.352 13.237 1.00 0.00 H new ATOM 1021 N LEU A 65 0.007 9.442 13.988 1.00 0.00 N ATOM 1022 CA LEU A 65 -0.343 9.895 15.330 1.00 0.00 C ATOM 1023 C LEU A 65 -1.384 8.976 15.961 1.00 0.00 C ATOM 1024 O LEU A 65 -2.207 8.381 15.263 1.00 0.00 O ATOM 1025 CB LEU A 65 -0.875 11.329 15.282 1.00 0.00 C ATOM 1026 CG LEU A 65 -2.361 11.484 14.957 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -2.902 12.781 15.538 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -2.586 11.436 13.453 1.00 0.00 C ATOM 0 H LEU A 65 -0.723 9.586 13.290 1.00 0.00 H new ATOM 0 HA LEU A 65 0.558 9.868 15.943 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.684 11.798 16.247 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.302 11.883 14.539 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.901 10.653 15.411 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.961 12.874 15.297 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.776 12.775 16.621 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.358 13.625 15.114 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.649 11.548 13.240 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.033 12.246 12.976 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.237 10.480 13.063 1.00 0.00 H new ATOM 1040 N LEU A 66 -1.344 8.865 17.284 1.00 0.00 N ATOM 1041 CA LEU A 66 -2.285 8.020 18.010 1.00 0.00 C ATOM 1042 C LEU A 66 -2.730 8.689 19.306 1.00 0.00 C ATOM 1043 O LEU A 66 -1.924 8.911 20.210 1.00 0.00 O ATOM 1044 CB LEU A 66 -1.650 6.662 18.315 1.00 0.00 C ATOM 1045 CG LEU A 66 -1.781 5.599 17.224 1.00 0.00 C ATOM 1046 CD1 LEU A 66 -0.787 4.471 17.455 1.00 0.00 C ATOM 1047 CD2 LEU A 66 -3.203 5.058 17.174 1.00 0.00 C ATOM 0 H LEU A 66 -0.670 9.350 17.876 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.162 7.871 17.381 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.590 6.816 18.518 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.096 6.272 19.230 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.556 6.062 16.263 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.895 3.724 16.669 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.227 4.871 17.439 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.980 4.009 18.423 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.278 4.303 16.392 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.456 4.611 18.135 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.895 5.872 16.959 1.00 0.00 H new ATOM 1059 N SER A 67 -4.018 9.006 19.391 1.00 0.00 N ATOM 1060 CA SER A 67 -4.570 9.651 20.576 1.00 0.00 C ATOM 1061 C SER A 67 -5.707 8.822 21.166 1.00 0.00 C ATOM 1062 O SER A 67 -6.592 8.359 20.446 1.00 0.00 O ATOM 1063 CB SER A 67 -5.072 11.055 20.232 1.00 0.00 C ATOM 1064 OG SER A 67 -5.835 11.599 21.295 1.00 0.00 O ATOM 0 H SER A 67 -4.699 8.826 18.653 1.00 0.00 H new ATOM 0 HA SER A 67 -3.777 9.729 21.320 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.224 11.706 20.019 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.679 11.016 19.327 1.00 0.00 H new ATOM 0 HG SER A 67 -6.142 12.497 21.051 1.00 0.00 H new ATOM 1070 N LYS A 68 -5.676 8.639 22.481 1.00 0.00 N ATOM 1071 CA LYS A 68 -6.704 7.867 23.171 1.00 0.00 C ATOM 1072 C LYS A 68 -6.570 8.014 24.684 1.00 0.00 C ATOM 1073 O LYS A 68 -5.470 7.933 25.229 1.00 0.00 O ATOM 1074 CB LYS A 68 -6.609 6.390 22.781 1.00 0.00 C ATOM 1075 CG LYS A 68 -5.421 5.673 23.398 1.00 0.00 C ATOM 1076 CD LYS A 68 -5.438 4.188 23.075 1.00 0.00 C ATOM 1077 CE LYS A 68 -4.735 3.896 21.758 1.00 0.00 C ATOM 1078 NZ LYS A 68 -4.221 2.499 21.702 1.00 0.00 N ATOM 0 H LYS A 68 -4.950 9.015 23.091 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.678 8.254 22.870 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.525 5.883 23.083 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.546 6.313 21.696 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.496 6.116 23.030 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.432 5.812 24.479 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.952 3.634 23.878 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.469 3.837 23.024 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.427 4.062 20.932 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.908 4.593 21.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.749 2.339 20.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.541 2.348 22.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.014 1.833 21.803 1.00 0.00 H new ATOM 1092 N GLN A 69 -7.698 8.228 25.354 1.00 0.00 N ATOM 1093 CA GLN A 69 -7.706 8.384 26.804 1.00 0.00 C ATOM 1094 C GLN A 69 -9.132 8.489 27.333 1.00 0.00 C ATOM 1095 O GLN A 69 -9.956 9.224 26.787 1.00 0.00 O ATOM 1096 CB GLN A 69 -6.907 9.625 27.208 1.00 0.00 C ATOM 1097 CG GLN A 69 -7.517 10.928 26.718 1.00 0.00 C ATOM 1098 CD GLN A 69 -7.382 11.108 25.219 1.00 0.00 C ATOM 1099 OE1 GLN A 69 -6.275 11.111 24.680 1.00 0.00 O ATOM 1100 NE2 GLN A 69 -8.511 11.258 24.536 1.00 0.00 N ATOM 0 H GLN A 69 -8.617 8.297 24.917 1.00 0.00 H new ATOM 0 HA GLN A 69 -7.240 7.501 27.242 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -6.827 9.657 28.295 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -5.894 9.538 26.816 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.572 10.956 26.990 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.035 11.764 27.225 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -9.407 11.249 25.023 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -8.482 11.382 23.524 1.00 0.00 H new ATOM 1109 N LYS A 70 -9.419 7.749 28.398 1.00 0.00 N ATOM 1110 CA LYS A 70 -10.746 7.758 29.002 1.00 0.00 C ATOM 1111 C LYS A 70 -10.768 6.925 30.280 1.00 0.00 C ATOM 1112 O LYS A 70 -10.322 5.777 30.292 1.00 0.00 O ATOM 1113 CB LYS A 70 -11.783 7.221 28.013 1.00 0.00 C ATOM 1114 CG LYS A 70 -13.189 7.153 28.583 1.00 0.00 C ATOM 1115 CD LYS A 70 -13.814 8.534 28.692 1.00 0.00 C ATOM 1116 CE LYS A 70 -15.230 8.463 29.242 1.00 0.00 C ATOM 1117 NZ LYS A 70 -15.691 9.781 29.760 1.00 0.00 N ATOM 0 H LYS A 70 -8.750 7.135 28.861 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.995 8.788 29.256 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.790 7.855 27.126 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.482 6.224 27.690 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.810 6.521 27.948 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.161 6.686 29.568 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.202 9.161 29.340 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.827 9.007 27.710 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.907 8.124 28.458 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.272 7.724 30.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.660 9.690 30.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.060 10.093 30.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.675 10.481 28.991 1.00 0.00 H new ATOM 1131 N TYR A 71 -11.291 7.508 31.352 1.00 0.00 N ATOM 1132 CA TYR A 71 -11.370 6.820 32.635 1.00 0.00 C ATOM 1133 C TYR A 71 -12.479 7.409 33.502 1.00 0.00 C ATOM 1134 O TYR A 71 -12.505 8.611 33.763 1.00 0.00 O ATOM 1135 CB TYR A 71 -10.031 6.909 33.369 1.00 0.00 C ATOM 1136 CG TYR A 71 -9.636 8.321 33.738 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -9.270 9.239 32.761 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -9.628 8.737 35.064 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -8.908 10.530 33.093 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -9.269 10.027 35.405 1.00 0.00 C ATOM 1141 CZ TYR A 71 -8.909 10.919 34.416 1.00 0.00 C ATOM 1142 OH TYR A 71 -8.549 12.204 34.753 1.00 0.00 O ATOM 0 H TYR A 71 -11.667 8.456 31.358 1.00 0.00 H new ATOM 0 HA TYR A 71 -11.602 5.772 32.443 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -10.082 6.306 34.276 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -9.253 6.475 32.741 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -9.269 8.938 31.724 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -9.907 8.040 35.841 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -8.626 11.231 32.321 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -9.270 10.335 36.440 1.00 0.00 H new ATOM 0 HH TYR A 71 -8.604 12.315 35.725 1.00 0.00 H new ATOM 1152 N ALA A 72 -13.393 6.552 33.945 1.00 0.00 N ATOM 1153 CA ALA A 72 -14.503 6.985 34.785 1.00 0.00 C ATOM 1154 C ALA A 72 -15.320 5.794 35.273 1.00 0.00 C ATOM 1155 O ALA A 72 -15.241 4.702 34.709 1.00 0.00 O ATOM 1156 CB ALA A 72 -15.390 7.960 34.025 1.00 0.00 C ATOM 0 H ALA A 72 -13.387 5.554 33.736 1.00 0.00 H new ATOM 0 HA ALA A 72 -14.090 7.490 35.658 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.215 8.275 34.664 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -14.805 8.831 33.731 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -15.787 7.473 33.134 1.00 0.00 H new ATOM 1162 N ASP A 73 -16.103 6.010 36.324 1.00 0.00 N ATOM 1163 CA ASP A 73 -16.935 4.954 36.888 1.00 0.00 C ATOM 1164 C ASP A 73 -17.933 5.525 37.890 1.00 0.00 C ATOM 1165 O ASP A 73 -17.636 6.484 38.600 1.00 0.00 O ATOM 1166 CB ASP A 73 -16.063 3.895 37.565 1.00 0.00 C ATOM 1167 CG ASP A 73 -16.864 2.974 38.464 1.00 0.00 C ATOM 1168 OD1 ASP A 73 -17.139 3.363 39.619 1.00 0.00 O ATOM 1169 OD2 ASP A 73 -17.217 1.865 38.013 1.00 0.00 O ATOM 0 H ASP A 73 -16.179 6.907 36.803 1.00 0.00 H new ATOM 0 HA ASP A 73 -17.491 4.489 36.074 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -15.557 3.303 36.802 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -15.288 4.388 38.152 1.00 0.00 H new ATOM 1174 N GLY A 74 -19.120 4.928 37.941 1.00 0.00 N ATOM 1175 CA GLY A 74 -20.145 5.392 38.858 1.00 0.00 C ATOM 1176 C GLY A 74 -21.477 4.702 38.636 1.00 0.00 C ATOM 1177 O GLY A 74 -22.229 5.065 37.732 1.00 0.00 O ATOM 0 H GLY A 74 -19.390 4.132 37.364 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -19.816 5.220 39.883 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -20.273 6.468 38.741 1.00 0.00 H new ATOM 1181 N ALA A 75 -21.768 3.703 39.463 1.00 0.00 N ATOM 1182 CA ALA A 75 -23.018 2.961 39.353 1.00 0.00 C ATOM 1183 C ALA A 75 -23.885 3.159 40.592 1.00 0.00 C ATOM 1184 O ALA A 75 -24.989 3.697 40.510 1.00 0.00 O ATOM 1185 CB ALA A 75 -22.736 1.482 39.135 1.00 0.00 C ATOM 0 H ALA A 75 -21.156 3.389 40.216 1.00 0.00 H new ATOM 0 HA ALA A 75 -23.566 3.346 38.493 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -23.678 0.940 39.055 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -22.163 1.352 38.217 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -22.164 1.093 39.977 1.00 0.00 H new ATOM 1191 N PHE A 76 -23.377 2.722 41.740 1.00 0.00 N ATOM 1192 CA PHE A 76 -24.106 2.850 42.996 1.00 0.00 C ATOM 1193 C PHE A 76 -23.155 2.774 44.187 1.00 0.00 C ATOM 1194 O PHE A 76 -22.152 2.062 44.150 1.00 0.00 O ATOM 1195 CB PHE A 76 -25.169 1.754 43.108 1.00 0.00 C ATOM 1196 CG PHE A 76 -26.362 1.985 42.225 1.00 0.00 C ATOM 1197 CD1 PHE A 76 -27.395 2.812 42.637 1.00 0.00 C ATOM 1198 CD2 PHE A 76 -26.451 1.375 40.984 1.00 0.00 C ATOM 1199 CE1 PHE A 76 -28.495 3.025 41.827 1.00 0.00 C ATOM 1200 CE2 PHE A 76 -27.548 1.585 40.170 1.00 0.00 C ATOM 1201 CZ PHE A 76 -28.571 2.412 40.592 1.00 0.00 C ATOM 0 H PHE A 76 -22.464 2.276 41.826 1.00 0.00 H new ATOM 0 HA PHE A 76 -24.595 3.824 43.005 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -24.719 0.795 42.853 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -25.501 1.685 44.144 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -27.340 3.295 43.601 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -25.654 0.728 40.649 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -29.294 3.670 42.160 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -27.605 1.103 39.205 1.00 0.00 H new ATOM 0 HZ PHE A 76 -29.429 2.579 39.957 1.00 0.00 H new ATOM 1211 N ALA A 77 -23.478 3.515 45.242 1.00 0.00 N ATOM 1212 CA ALA A 77 -22.654 3.532 46.445 1.00 0.00 C ATOM 1213 C ALA A 77 -23.498 3.292 47.692 1.00 0.00 C ATOM 1214 O ALA A 77 -23.249 2.355 48.450 1.00 0.00 O ATOM 1215 CB ALA A 77 -21.909 4.854 46.556 1.00 0.00 C ATOM 0 H ALA A 77 -24.304 4.111 45.288 1.00 0.00 H new ATOM 0 HA ALA A 77 -21.927 2.723 46.369 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -21.298 4.853 47.459 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -21.268 4.985 45.684 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -22.627 5.673 46.605 1.00 0.00 H new ATOM 1221 N ASP A 78 -24.496 4.144 47.898 1.00 0.00 N ATOM 1222 CA ASP A 78 -25.377 4.024 49.053 1.00 0.00 C ATOM 1223 C ASP A 78 -26.507 5.047 48.984 1.00 0.00 C ATOM 1224 O ASP A 78 -26.504 5.933 48.130 1.00 0.00 O ATOM 1225 CB ASP A 78 -24.584 4.208 50.348 1.00 0.00 C ATOM 1226 CG ASP A 78 -24.007 2.904 50.863 1.00 0.00 C ATOM 1227 OD1 ASP A 78 -24.744 1.897 50.888 1.00 0.00 O ATOM 1228 OD2 ASP A 78 -22.817 2.891 51.242 1.00 0.00 O ATOM 0 H ASP A 78 -24.715 4.925 47.280 1.00 0.00 H new ATOM 0 HA ASP A 78 -25.814 3.026 49.043 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -23.775 4.918 50.177 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -25.233 4.641 51.110 1.00 0.00 H new ATOM 1233 N PHE A 79 -27.471 4.918 49.889 1.00 0.00 N ATOM 1234 CA PHE A 79 -28.608 5.831 49.930 1.00 0.00 C ATOM 1235 C PHE A 79 -29.298 5.780 51.290 1.00 0.00 C ATOM 1236 O PHE A 79 -29.332 4.737 51.943 1.00 0.00 O ATOM 1237 CB PHE A 79 -29.608 5.483 48.825 1.00 0.00 C ATOM 1238 CG PHE A 79 -29.879 4.010 48.703 1.00 0.00 C ATOM 1239 CD1 PHE A 79 -29.004 3.187 48.012 1.00 0.00 C ATOM 1240 CD2 PHE A 79 -31.007 3.450 49.279 1.00 0.00 C ATOM 1241 CE1 PHE A 79 -29.251 1.832 47.898 1.00 0.00 C ATOM 1242 CE2 PHE A 79 -31.259 2.095 49.169 1.00 0.00 C ATOM 1243 CZ PHE A 79 -30.379 1.285 48.478 1.00 0.00 C ATOM 0 H PHE A 79 -27.488 4.191 50.604 1.00 0.00 H new ATOM 0 HA PHE A 79 -28.236 6.843 49.769 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -30.547 6.002 49.019 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -29.229 5.855 47.873 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -28.120 3.609 47.558 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -31.698 4.079 49.820 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -28.562 1.201 47.356 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -32.142 1.671 49.623 1.00 0.00 H new ATOM 0 HZ PHE A 79 -30.573 0.226 48.391 1.00 0.00 H new ATOM 1253 N LYS A 80 -29.847 6.914 51.711 1.00 0.00 N ATOM 1254 CA LYS A 80 -30.537 7.001 52.992 1.00 0.00 C ATOM 1255 C LYS A 80 -31.996 7.402 52.798 1.00 0.00 C ATOM 1256 O LYS A 80 -32.337 8.090 51.836 1.00 0.00 O ATOM 1257 CB LYS A 80 -29.837 8.011 53.904 1.00 0.00 C ATOM 1258 CG LYS A 80 -30.289 7.938 55.352 1.00 0.00 C ATOM 1259 CD LYS A 80 -29.383 7.038 56.175 1.00 0.00 C ATOM 1260 CE LYS A 80 -29.914 5.614 56.233 1.00 0.00 C ATOM 1261 NZ LYS A 80 -31.192 5.529 56.993 1.00 0.00 N ATOM 0 H LYS A 80 -29.827 7.786 51.183 1.00 0.00 H new ATOM 0 HA LYS A 80 -30.508 6.017 53.460 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -28.761 7.844 53.859 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -30.019 9.017 53.526 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -30.297 8.939 55.782 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -31.312 7.564 55.396 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -28.382 7.037 55.744 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -29.295 7.436 57.186 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -30.069 5.243 55.220 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -29.170 4.968 56.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -31.298 4.573 57.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -31.183 6.225 57.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -31.989 5.730 56.356 1.00 0.00 H new ATOM 1275 N GLN A 81 -32.852 6.969 53.718 1.00 0.00 N ATOM 1276 CA GLN A 81 -34.274 7.285 53.647 1.00 0.00 C ATOM 1277 C GLN A 81 -34.829 7.608 55.031 1.00 0.00 C ATOM 1278 O GLN A 81 -34.121 7.510 56.032 1.00 0.00 O ATOM 1279 CB GLN A 81 -35.047 6.116 53.035 1.00 0.00 C ATOM 1280 CG GLN A 81 -35.127 6.168 51.518 1.00 0.00 C ATOM 1281 CD GLN A 81 -33.935 5.515 50.847 1.00 0.00 C ATOM 1282 OE1 GLN A 81 -33.394 4.527 51.342 1.00 0.00 O ATOM 1283 NE2 GLN A 81 -33.518 6.067 49.713 1.00 0.00 N ATOM 0 H GLN A 81 -32.586 6.399 54.521 1.00 0.00 H new ATOM 0 HA GLN A 81 -34.395 8.163 53.013 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -34.573 5.181 53.334 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -36.057 6.106 53.444 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -36.040 5.672 51.189 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -35.195 7.207 51.197 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -33.997 6.886 49.338 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -32.719 5.672 49.217 1.00 0.00 H new ATOM 1292 N GLU A 82 -36.100 7.993 55.077 1.00 0.00 N ATOM 1293 CA GLU A 82 -36.750 8.332 56.338 1.00 0.00 C ATOM 1294 C GLU A 82 -37.492 7.127 56.909 1.00 0.00 C ATOM 1295 O GLU A 82 -37.846 6.200 56.180 1.00 0.00 O ATOM 1296 CB GLU A 82 -37.722 9.497 56.140 1.00 0.00 C ATOM 1297 CG GLU A 82 -37.036 10.847 56.012 1.00 0.00 C ATOM 1298 CD GLU A 82 -36.374 11.039 54.662 1.00 0.00 C ATOM 1299 OE1 GLU A 82 -37.095 11.328 53.684 1.00 0.00 O ATOM 1300 OE2 GLU A 82 -35.136 10.900 54.582 1.00 0.00 O ATOM 0 H GLU A 82 -36.700 8.078 54.257 1.00 0.00 H new ATOM 0 HA GLU A 82 -35.977 8.630 57.047 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -38.317 9.315 55.245 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -38.414 9.529 56.982 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -37.768 11.639 56.169 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -36.287 10.945 56.797 1.00 0.00 H new ATOM 1307 N SER A 83 -37.723 7.147 58.218 1.00 0.00 N ATOM 1308 CA SER A 83 -38.419 6.055 58.888 1.00 0.00 C ATOM 1309 C SER A 83 -39.806 6.495 59.347 1.00 0.00 C ATOM 1310 O SER A 83 -40.079 7.687 59.478 1.00 0.00 O ATOM 1311 CB SER A 83 -37.605 5.563 60.087 1.00 0.00 C ATOM 1312 OG SER A 83 -37.577 6.535 61.118 1.00 0.00 O ATOM 0 H SER A 83 -37.438 7.907 58.835 1.00 0.00 H new ATOM 0 HA SER A 83 -38.533 5.238 58.175 1.00 0.00 H new ATOM 0 HB2 SER A 83 -38.036 4.637 60.468 1.00 0.00 H new ATOM 0 HB3 SER A 83 -36.587 5.335 59.771 1.00 0.00 H new ATOM 0 HG SER A 83 -37.052 6.196 61.873 1.00 0.00 H new ATOM 1318 N GLY A 84 -40.679 5.521 59.589 1.00 0.00 N ATOM 1319 CA GLY A 84 -42.027 5.827 60.030 1.00 0.00 C ATOM 1320 C GLY A 84 -42.590 4.764 60.953 1.00 0.00 C ATOM 1321 O GLY A 84 -42.174 3.606 60.927 1.00 0.00 O ATOM 0 H GLY A 84 -40.476 4.526 59.487 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -42.028 6.788 60.544 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -42.676 5.930 59.160 1.00 0.00 H new ATOM 1325 N PRO A 85 -43.558 5.158 61.794 1.00 0.00 N ATOM 1326 CA PRO A 85 -44.198 4.246 62.747 1.00 0.00 C ATOM 1327 C PRO A 85 -45.083 3.214 62.055 1.00 0.00 C ATOM 1328 O PRO A 85 -46.114 3.555 61.476 1.00 0.00 O ATOM 1329 CB PRO A 85 -45.044 5.178 63.617 1.00 0.00 C ATOM 1330 CG PRO A 85 -45.316 6.361 62.752 1.00 0.00 C ATOM 1331 CD PRO A 85 -44.102 6.524 61.880 1.00 0.00 C ATOM 0 HA PRO A 85 -43.467 3.664 63.308 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -45.970 4.695 63.930 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -44.512 5.465 64.524 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -46.211 6.206 62.150 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -45.487 7.254 63.354 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -44.363 6.915 60.897 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -43.383 7.216 62.318 1.00 0.00 H new ATOM 1339 N SER A 86 -44.674 1.951 62.121 1.00 0.00 N ATOM 1340 CA SER A 86 -45.428 0.870 61.498 1.00 0.00 C ATOM 1341 C SER A 86 -45.832 -0.176 62.533 1.00 0.00 C ATOM 1342 O SER A 86 -45.144 -1.179 62.720 1.00 0.00 O ATOM 1343 CB SER A 86 -44.601 0.214 60.390 1.00 0.00 C ATOM 1344 OG SER A 86 -44.692 0.950 59.183 1.00 0.00 O ATOM 0 H SER A 86 -43.825 1.651 62.600 1.00 0.00 H new ATOM 0 HA SER A 86 -46.332 1.295 61.063 1.00 0.00 H new ATOM 0 HB2 SER A 86 -43.558 0.147 60.701 1.00 0.00 H new ATOM 0 HB3 SER A 86 -44.951 -0.805 60.226 1.00 0.00 H new ATOM 0 HG SER A 86 -44.154 0.512 58.491 1.00 0.00 H new ATOM 1350 N SER A 87 -46.955 0.066 63.202 1.00 0.00 N ATOM 1351 CA SER A 87 -47.451 -0.852 64.221 1.00 0.00 C ATOM 1352 C SER A 87 -48.960 -0.710 64.392 1.00 0.00 C ATOM 1353 O SER A 87 -49.557 0.272 63.952 1.00 0.00 O ATOM 1354 CB SER A 87 -46.749 -0.594 65.555 1.00 0.00 C ATOM 1355 OG SER A 87 -46.657 -1.782 66.322 1.00 0.00 O ATOM 0 H SER A 87 -47.538 0.890 63.057 1.00 0.00 H new ATOM 0 HA SER A 87 -47.234 -1.869 63.895 1.00 0.00 H new ATOM 0 HB2 SER A 87 -45.750 -0.197 65.373 1.00 0.00 H new ATOM 0 HB3 SER A 87 -47.296 0.164 66.117 1.00 0.00 H new ATOM 0 HG SER A 87 -46.203 -1.590 67.169 1.00 0.00 H new ATOM 1361 N GLY A 88 -49.572 -1.700 65.035 1.00 0.00 N ATOM 1362 CA GLY A 88 -51.007 -1.668 65.253 1.00 0.00 C ATOM 1363 C GLY A 88 -51.636 -3.045 65.175 1.00 0.00 C ATOM 1364 O GLY A 88 -52.845 -3.140 64.968 1.00 0.00 O ATOM 0 H GLY A 88 -49.100 -2.523 65.409 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -51.213 -1.233 66.231 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -51.470 -1.018 64.511 1.00 0.00 H new TER 1368 GLY A 88 HETATM 1369 ZN ZN A 201 2.130 -4.965 3.893 1.00 0.00 ZN