USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=23 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 180:sc= 0 USER MOD Set 1.2: A 38 THR OG1 : rot 180:sc= 0.0263 USER MOD Set 2.1: A 27 GLN : amide:sc= -0.816 X(o=-0.9,f=-0.44) USER MOD Set 2.2: A 34 LYS NZ :NH3+ -138:sc= -0.0819 (180deg=-0.431) USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0448 (180deg=0) USER MOD Single : A 2 SER OG : rot 21:sc= 0.953 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+ 175:sc= 0 (180deg=-0.0265) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.0709 K(o=-0.071,f=-1.6!) USER MOD Single : A 23 ASN : amide:sc= -0.385 K(o=-0.38,f=-1.1) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0512 USER MOD Single : A 29 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0305) USER MOD Single : A 30 HIS : no HD1:sc= -0.417 X(o=-0.42,f=-0.36) USER MOD Single : A 33 SER OG : rot 180:sc= 0.186 USER MOD Single : A 36 GLN : amide:sc= -0.778 X(o=-0.78,f=-0.4) USER MOD Single : A 37 SER OG : rot 26:sc= 1.2 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= -4.99! C(o=-5!,f=-3.9!) USER MOD Single : A 49 ASN : amide:sc= -0.664 X(o=-0.66,f=-0.92) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -129:sc= 0 (180deg=-1.4!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.017) 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 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0.0555 X(o=0.056,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -168:sc= 0.00346 (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= -0.631 K(o=-0.63,f=-2.2!) USER MOD Single : A 83 SER OG : rot 180:sc= -0.426 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 -33.558 16.780 -61.612 1.00 0.00 N ATOM 2 CA GLY A 1 -33.389 16.147 -60.317 1.00 0.00 C ATOM 3 C GLY A 1 -31.945 15.785 -60.033 1.00 0.00 C ATOM 4 O GLY A 1 -31.027 16.372 -60.605 1.00 0.00 O ATOM 0 H1 GLY A 1 -34.082 17.671 -61.497 1.00 0.00 H new ATOM 0 H2 GLY A 1 -32.625 16.978 -62.026 1.00 0.00 H new ATOM 0 H3 GLY A 1 -34.089 16.145 -62.242 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -33.752 16.817 -59.538 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -34.001 15.246 -60.273 1.00 0.00 H new ATOM 8 N SER A 2 -31.743 14.817 -59.144 1.00 0.00 N ATOM 9 CA SER A 2 -30.399 14.382 -58.781 1.00 0.00 C ATOM 10 C SER A 2 -30.431 12.996 -58.143 1.00 0.00 C ATOM 11 O SER A 2 -31.499 12.466 -57.837 1.00 0.00 O ATOM 12 CB SER A 2 -29.759 15.384 -57.818 1.00 0.00 C ATOM 13 OG SER A 2 -29.276 16.521 -58.513 1.00 0.00 O ATOM 0 H SER A 2 -32.492 14.320 -58.662 1.00 0.00 H new ATOM 0 HA SER A 2 -29.802 14.331 -59.691 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.490 15.694 -57.071 1.00 0.00 H new ATOM 0 HB3 SER A 2 -28.939 14.906 -57.282 1.00 0.00 H new ATOM 0 HG SER A 2 -29.729 16.592 -59.379 1.00 0.00 H new ATOM 19 N SER A 3 -29.252 12.415 -57.947 1.00 0.00 N ATOM 20 CA SER A 3 -29.144 11.089 -57.350 1.00 0.00 C ATOM 21 C SER A 3 -27.999 11.039 -56.343 1.00 0.00 C ATOM 22 O SER A 3 -27.282 12.020 -56.151 1.00 0.00 O ATOM 23 CB SER A 3 -28.930 10.033 -58.436 1.00 0.00 C ATOM 24 OG SER A 3 -27.836 10.373 -59.269 1.00 0.00 O ATOM 0 H SER A 3 -28.359 12.841 -58.193 1.00 0.00 H new ATOM 0 HA SER A 3 -30.076 10.876 -56.826 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.751 9.062 -57.974 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.834 9.938 -59.038 1.00 0.00 H new ATOM 0 HG SER A 3 -27.719 9.682 -59.954 1.00 0.00 H new ATOM 30 N GLY A 4 -27.832 9.885 -55.702 1.00 0.00 N ATOM 31 CA GLY A 4 -26.773 9.727 -54.723 1.00 0.00 C ATOM 32 C GLY A 4 -27.298 9.693 -53.301 1.00 0.00 C ATOM 33 O GLY A 4 -28.333 10.288 -53.000 1.00 0.00 O ATOM 0 H GLY A 4 -28.411 9.058 -55.844 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.228 8.806 -54.928 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.063 10.547 -54.825 1.00 0.00 H new ATOM 37 N SER A 5 -26.584 8.995 -52.424 1.00 0.00 N ATOM 38 CA SER A 5 -26.987 8.882 -51.028 1.00 0.00 C ATOM 39 C SER A 5 -25.804 8.477 -50.152 1.00 0.00 C ATOM 40 O SER A 5 -24.798 7.968 -50.646 1.00 0.00 O ATOM 41 CB SER A 5 -28.117 7.861 -50.882 1.00 0.00 C ATOM 42 OG SER A 5 -27.669 6.555 -51.204 1.00 0.00 O ATOM 0 H SER A 5 -25.723 8.499 -52.656 1.00 0.00 H new ATOM 0 HA SER A 5 -27.344 9.858 -50.699 1.00 0.00 H new ATOM 0 HB2 SER A 5 -28.496 7.877 -49.860 1.00 0.00 H new ATOM 0 HB3 SER A 5 -28.946 8.136 -51.534 1.00 0.00 H new ATOM 0 HG SER A 5 -28.409 5.921 -51.101 1.00 0.00 H new ATOM 48 N SER A 6 -25.934 8.707 -48.850 1.00 0.00 N ATOM 49 CA SER A 6 -24.876 8.370 -47.905 1.00 0.00 C ATOM 50 C SER A 6 -25.453 7.711 -46.656 1.00 0.00 C ATOM 51 O SER A 6 -26.657 7.765 -46.411 1.00 0.00 O ATOM 52 CB SER A 6 -24.091 9.625 -47.517 1.00 0.00 C ATOM 53 OG SER A 6 -24.961 10.655 -47.080 1.00 0.00 O ATOM 0 H SER A 6 -26.762 9.125 -48.425 1.00 0.00 H new ATOM 0 HA SER A 6 -24.202 7.663 -48.389 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.381 9.384 -46.726 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.510 9.973 -48.371 1.00 0.00 H new ATOM 0 HG SER A 6 -24.436 11.445 -46.836 1.00 0.00 H new ATOM 59 N GLY A 7 -24.582 7.088 -45.867 1.00 0.00 N ATOM 60 CA GLY A 7 -25.022 6.426 -44.653 1.00 0.00 C ATOM 61 C GLY A 7 -23.924 5.604 -44.009 1.00 0.00 C ATOM 62 O GLY A 7 -22.860 5.406 -44.598 1.00 0.00 O ATOM 0 H GLY A 7 -23.580 7.030 -46.047 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -25.375 7.174 -43.943 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -25.869 5.779 -44.882 1.00 0.00 H new ATOM 66 N LEU A 8 -24.178 5.124 -42.797 1.00 0.00 N ATOM 67 CA LEU A 8 -23.201 4.320 -42.072 1.00 0.00 C ATOM 68 C LEU A 8 -23.808 3.749 -40.794 1.00 0.00 C ATOM 69 O LEU A 8 -24.254 4.491 -39.919 1.00 0.00 O ATOM 70 CB LEU A 8 -21.969 5.160 -41.733 1.00 0.00 C ATOM 71 CG LEU A 8 -20.642 4.405 -41.655 1.00 0.00 C ATOM 72 CD1 LEU A 8 -20.647 3.439 -40.480 1.00 0.00 C ATOM 73 CD2 LEU A 8 -20.372 3.664 -42.956 1.00 0.00 C ATOM 0 H LEU A 8 -25.053 5.278 -42.295 1.00 0.00 H new ATOM 0 HA LEU A 8 -22.902 3.491 -42.714 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -21.873 5.946 -42.482 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -22.141 5.651 -40.775 1.00 0.00 H new ATOM 0 HG LEU A 8 -19.842 5.129 -41.501 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -19.695 2.910 -40.440 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -20.793 3.994 -39.553 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -21.457 2.720 -40.604 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -19.423 3.132 -42.882 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -21.174 2.950 -43.141 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -20.325 4.378 -43.778 1.00 0.00 H new ATOM 85 N LYS A 9 -23.819 2.424 -40.691 1.00 0.00 N ATOM 86 CA LYS A 9 -24.367 1.751 -39.519 1.00 0.00 C ATOM 87 C LYS A 9 -23.684 2.237 -38.244 1.00 0.00 C ATOM 88 O LYS A 9 -22.483 2.508 -38.237 1.00 0.00 O ATOM 89 CB LYS A 9 -24.202 0.236 -39.652 1.00 0.00 C ATOM 90 CG LYS A 9 -22.760 -0.207 -39.830 1.00 0.00 C ATOM 91 CD LYS A 9 -22.104 -0.518 -38.495 1.00 0.00 C ATOM 92 CE LYS A 9 -20.675 -1.007 -38.677 1.00 0.00 C ATOM 93 NZ LYS A 9 -19.771 0.082 -39.138 1.00 0.00 N ATOM 0 H LYS A 9 -23.454 1.794 -41.406 1.00 0.00 H new ATOM 0 HA LYS A 9 -25.428 1.991 -39.456 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -24.614 -0.245 -38.765 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -24.787 -0.111 -40.503 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -22.726 -1.090 -40.468 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -22.198 0.576 -40.339 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -22.107 0.375 -37.870 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -22.685 -1.276 -37.971 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -20.306 -1.410 -37.734 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -20.659 -1.822 -39.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -18.792 -0.269 -39.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -20.058 0.392 -40.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -19.830 0.885 -38.479 1.00 0.00 H new ATOM 107 N ARG A 10 -24.457 2.344 -37.168 1.00 0.00 N ATOM 108 CA ARG A 10 -23.926 2.797 -35.888 1.00 0.00 C ATOM 109 C ARG A 10 -24.225 1.784 -34.787 1.00 0.00 C ATOM 110 O ARG A 10 -24.874 0.766 -35.026 1.00 0.00 O ATOM 111 CB ARG A 10 -24.519 4.158 -35.519 1.00 0.00 C ATOM 112 CG ARG A 10 -23.693 5.335 -36.011 1.00 0.00 C ATOM 113 CD ARG A 10 -23.803 5.501 -37.519 1.00 0.00 C ATOM 114 NE ARG A 10 -23.319 6.806 -37.962 1.00 0.00 N ATOM 115 CZ ARG A 10 -24.057 7.911 -37.937 1.00 0.00 C ATOM 116 NH1 ARG A 10 -25.305 7.868 -37.491 1.00 0.00 N ATOM 117 NH2 ARG A 10 -23.546 9.061 -38.358 1.00 0.00 N ATOM 0 H ARG A 10 -25.453 2.123 -37.157 1.00 0.00 H new ATOM 0 HA ARG A 10 -22.845 2.894 -35.985 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -25.524 4.232 -35.934 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -24.616 4.221 -34.435 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -24.028 6.248 -35.518 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -22.649 5.189 -35.735 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -23.231 4.715 -38.013 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -24.843 5.378 -37.823 1.00 0.00 H new ATOM 0 HE ARG A 10 -22.362 6.873 -38.310 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -25.700 6.986 -37.166 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -25.870 8.717 -37.473 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -22.586 9.097 -38.701 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -24.113 9.909 -38.338 1.00 0.00 H new ATOM 131 N ASP A 11 -23.747 2.071 -33.581 1.00 0.00 N ATOM 132 CA ASP A 11 -23.963 1.186 -32.443 1.00 0.00 C ATOM 133 C ASP A 11 -23.904 1.963 -31.131 1.00 0.00 C ATOM 134 O ASP A 11 -23.423 3.096 -31.090 1.00 0.00 O ATOM 135 CB ASP A 11 -22.920 0.067 -32.434 1.00 0.00 C ATOM 136 CG ASP A 11 -22.804 -0.627 -33.777 1.00 0.00 C ATOM 137 OD1 ASP A 11 -21.991 -0.174 -34.609 1.00 0.00 O ATOM 138 OD2 ASP A 11 -23.527 -1.621 -33.996 1.00 0.00 O ATOM 0 H ASP A 11 -23.207 2.910 -33.367 1.00 0.00 H new ATOM 0 HA ASP A 11 -24.956 0.746 -32.540 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -21.950 0.480 -32.157 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -23.184 -0.666 -31.671 1.00 0.00 H new ATOM 143 N PHE A 12 -24.398 1.348 -30.062 1.00 0.00 N ATOM 144 CA PHE A 12 -24.403 1.983 -28.749 1.00 0.00 C ATOM 145 C PHE A 12 -23.337 1.372 -27.845 1.00 0.00 C ATOM 146 O PHE A 12 -22.703 0.377 -28.199 1.00 0.00 O ATOM 147 CB PHE A 12 -25.781 1.844 -28.098 1.00 0.00 C ATOM 148 CG PHE A 12 -26.375 0.472 -28.239 1.00 0.00 C ATOM 149 CD1 PHE A 12 -26.965 0.077 -29.429 1.00 0.00 C ATOM 150 CD2 PHE A 12 -26.344 -0.423 -27.182 1.00 0.00 C ATOM 151 CE1 PHE A 12 -27.513 -1.185 -29.562 1.00 0.00 C ATOM 152 CE2 PHE A 12 -26.890 -1.686 -27.309 1.00 0.00 C ATOM 153 CZ PHE A 12 -27.476 -2.068 -28.501 1.00 0.00 C ATOM 0 H PHE A 12 -24.800 0.411 -30.079 1.00 0.00 H new ATOM 0 HA PHE A 12 -24.177 3.041 -28.883 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -25.700 2.089 -27.039 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -26.459 2.572 -28.543 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -26.997 0.763 -30.262 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -25.888 -0.130 -26.248 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -27.970 -1.480 -30.495 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -26.859 -2.374 -26.477 1.00 0.00 H new ATOM 0 HZ PHE A 12 -27.904 -3.054 -28.602 1.00 0.00 H new ATOM 163 N ILE A 13 -23.144 1.974 -26.676 1.00 0.00 N ATOM 164 CA ILE A 13 -22.155 1.490 -25.721 1.00 0.00 C ATOM 165 C ILE A 13 -22.636 1.682 -24.287 1.00 0.00 C ATOM 166 O ILE A 13 -23.445 2.567 -24.006 1.00 0.00 O ATOM 167 CB ILE A 13 -20.804 2.206 -25.898 1.00 0.00 C ATOM 168 CG1 ILE A 13 -20.910 3.662 -25.441 1.00 0.00 C ATOM 169 CG2 ILE A 13 -20.351 2.132 -27.349 1.00 0.00 C ATOM 170 CD1 ILE A 13 -21.578 4.566 -26.453 1.00 0.00 C ATOM 0 H ILE A 13 -23.660 2.798 -26.368 1.00 0.00 H new ATOM 0 HA ILE A 13 -22.021 0.426 -25.917 1.00 0.00 H new ATOM 0 HB ILE A 13 -20.060 1.704 -25.280 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -21.469 3.701 -24.506 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -19.910 4.042 -25.231 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -19.394 2.643 -27.458 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -20.241 1.088 -27.643 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -21.093 2.612 -27.987 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -21.619 5.583 -26.062 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -21.007 4.557 -27.382 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -22.590 4.211 -26.646 1.00 0.00 H new ATOM 182 N ILE A 14 -22.132 0.849 -23.383 1.00 0.00 N ATOM 183 CA ILE A 14 -22.507 0.929 -21.977 1.00 0.00 C ATOM 184 C ILE A 14 -21.288 1.178 -21.096 1.00 0.00 C ATOM 185 O ILE A 14 -20.202 0.660 -21.359 1.00 0.00 O ATOM 186 CB ILE A 14 -23.212 -0.357 -21.508 1.00 0.00 C ATOM 187 CG1 ILE A 14 -24.430 -0.647 -22.388 1.00 0.00 C ATOM 188 CG2 ILE A 14 -23.624 -0.234 -20.049 1.00 0.00 C ATOM 189 CD1 ILE A 14 -24.094 -1.399 -23.657 1.00 0.00 C ATOM 0 H ILE A 14 -21.463 0.111 -23.599 1.00 0.00 H new ATOM 0 HA ILE A 14 -23.198 1.767 -21.882 1.00 0.00 H new ATOM 0 HB ILE A 14 -22.514 -1.190 -21.599 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -25.154 -1.225 -21.814 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -24.911 0.295 -22.650 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -24.121 -1.151 -19.733 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -22.739 -0.070 -19.434 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -24.307 0.607 -19.934 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -25.005 -1.570 -24.231 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -23.394 -0.813 -24.253 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -23.641 -2.357 -23.403 1.00 0.00 H new ATOM 201 N LEU A 15 -21.475 1.972 -20.047 1.00 0.00 N ATOM 202 CA LEU A 15 -20.391 2.288 -19.124 1.00 0.00 C ATOM 203 C LEU A 15 -20.636 1.653 -17.759 1.00 0.00 C ATOM 204 O LEU A 15 -20.211 2.181 -16.732 1.00 0.00 O ATOM 205 CB LEU A 15 -20.246 3.803 -18.976 1.00 0.00 C ATOM 206 CG LEU A 15 -21.523 4.568 -18.622 1.00 0.00 C ATOM 207 CD1 LEU A 15 -21.720 4.609 -17.115 1.00 0.00 C ATOM 208 CD2 LEU A 15 -21.476 5.977 -19.195 1.00 0.00 C ATOM 0 H LEU A 15 -22.367 2.408 -19.815 1.00 0.00 H new ATOM 0 HA LEU A 15 -19.467 1.880 -19.534 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -19.501 4.003 -18.206 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -19.854 4.203 -19.911 1.00 0.00 H new ATOM 0 HG LEU A 15 -22.372 4.046 -19.064 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -22.633 5.157 -16.882 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -21.799 3.592 -16.731 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -20.869 5.107 -16.650 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -22.392 6.507 -18.934 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -20.619 6.509 -18.783 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -21.383 5.926 -20.280 1.00 0.00 H new ATOM 220 N GLY A 16 -21.322 0.514 -17.756 1.00 0.00 N ATOM 221 CA GLY A 16 -21.609 -0.176 -16.511 1.00 0.00 C ATOM 222 C GLY A 16 -20.477 -0.061 -15.510 1.00 0.00 C ATOM 223 O GLY A 16 -19.320 -0.318 -15.839 1.00 0.00 O ATOM 0 H GLY A 16 -21.684 0.057 -18.593 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -22.520 0.234 -16.074 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -21.801 -1.229 -16.719 1.00 0.00 H new ATOM 227 N ASN A 17 -20.811 0.328 -14.284 1.00 0.00 N ATOM 228 CA ASN A 17 -19.812 0.479 -13.231 1.00 0.00 C ATOM 229 C ASN A 17 -19.601 -0.837 -12.489 1.00 0.00 C ATOM 230 O ASN A 17 -18.489 -1.361 -12.437 1.00 0.00 O ATOM 231 CB ASN A 17 -20.240 1.569 -12.247 1.00 0.00 C ATOM 232 CG ASN A 17 -19.478 1.497 -10.937 1.00 0.00 C ATOM 233 OD1 ASN A 17 -20.051 1.201 -9.889 1.00 0.00 O ATOM 234 ND2 ASN A 17 -18.179 1.768 -10.993 1.00 0.00 N ATOM 0 H ASN A 17 -21.765 0.544 -13.995 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.870 0.768 -13.697 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -20.084 2.547 -12.702 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -21.308 1.477 -12.049 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -17.614 1.735 -10.144 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -17.746 2.009 -11.885 1.00 0.00 H new ATOM 241 N GLY A 18 -20.678 -1.368 -11.917 1.00 0.00 N ATOM 242 CA GLY A 18 -20.590 -2.618 -11.186 1.00 0.00 C ATOM 243 C GLY A 18 -19.728 -2.504 -9.944 1.00 0.00 C ATOM 244 O GLY A 18 -18.953 -1.561 -9.785 1.00 0.00 O ATOM 0 H GLY A 18 -21.610 -0.954 -11.947 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -21.592 -2.940 -10.901 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.181 -3.389 -11.839 1.00 0.00 H new ATOM 248 N PRO A 19 -19.860 -3.483 -9.036 1.00 0.00 N ATOM 249 CA PRO A 19 -19.096 -3.510 -7.785 1.00 0.00 C ATOM 250 C PRO A 19 -17.615 -3.791 -8.017 1.00 0.00 C ATOM 251 O PRO A 19 -17.255 -4.660 -8.811 1.00 0.00 O ATOM 252 CB PRO A 19 -19.741 -4.655 -7.001 1.00 0.00 C ATOM 253 CG PRO A 19 -20.330 -5.543 -8.042 1.00 0.00 C ATOM 254 CD PRO A 19 -20.765 -4.638 -9.161 1.00 0.00 C ATOM 0 HA PRO A 19 -19.126 -2.551 -7.268 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -19.004 -5.186 -6.398 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -20.505 -4.285 -6.317 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -19.599 -6.272 -8.392 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -21.175 -6.104 -7.643 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -20.666 -5.123 -10.132 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -21.809 -4.344 -9.057 1.00 0.00 H new ATOM 262 N ARG A 20 -16.761 -3.051 -7.318 1.00 0.00 N ATOM 263 CA ARG A 20 -15.319 -3.220 -7.448 1.00 0.00 C ATOM 264 C ARG A 20 -14.822 -4.355 -6.557 1.00 0.00 C ATOM 265 O ARG A 20 -14.258 -5.337 -7.041 1.00 0.00 O ATOM 266 CB ARG A 20 -14.597 -1.921 -7.088 1.00 0.00 C ATOM 267 CG ARG A 20 -14.892 -0.775 -8.042 1.00 0.00 C ATOM 268 CD ARG A 20 -14.447 0.560 -7.464 1.00 0.00 C ATOM 269 NE ARG A 20 -15.241 1.671 -7.980 1.00 0.00 N ATOM 270 CZ ARG A 20 -14.880 2.945 -7.871 1.00 0.00 C ATOM 271 NH1 ARG A 20 -13.744 3.266 -7.268 1.00 0.00 N ATOM 272 NH2 ARG A 20 -15.656 3.901 -8.366 1.00 0.00 N ATOM 0 H ARG A 20 -17.043 -2.328 -6.656 1.00 0.00 H new ATOM 0 HA ARG A 20 -15.100 -3.473 -8.485 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.882 -1.625 -6.079 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.523 -2.104 -7.075 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.384 -0.950 -8.990 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -15.961 -0.743 -8.254 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.529 0.530 -6.377 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -13.396 0.725 -7.700 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.121 1.458 -8.450 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.145 2.534 -6.886 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.469 4.245 -7.186 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -16.531 3.658 -8.831 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.378 4.879 -8.282 1.00 0.00 H new ATOM 286 N LEU A 21 -15.035 -4.213 -5.254 1.00 0.00 N ATOM 287 CA LEU A 21 -14.609 -5.226 -4.294 1.00 0.00 C ATOM 288 C LEU A 21 -15.793 -6.065 -3.826 1.00 0.00 C ATOM 289 O LEU A 21 -16.675 -5.572 -3.123 1.00 0.00 O ATOM 290 CB LEU A 21 -13.931 -4.565 -3.093 1.00 0.00 C ATOM 291 CG LEU A 21 -12.691 -3.724 -3.401 1.00 0.00 C ATOM 292 CD1 LEU A 21 -12.276 -2.918 -2.180 1.00 0.00 C ATOM 293 CD2 LEU A 21 -11.547 -4.612 -3.870 1.00 0.00 C ATOM 0 H LEU A 21 -15.500 -3.406 -4.837 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.895 -5.884 -4.790 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -14.662 -3.929 -2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.650 -5.345 -2.385 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.937 -3.029 -4.203 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.392 -2.326 -2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.090 -2.254 -1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.048 -3.595 -1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.673 -3.997 -4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.301 -5.332 -3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.846 -5.144 -4.773 1.00 0.00 H new ATOM 305 N GLN A 22 -15.805 -7.335 -4.218 1.00 0.00 N ATOM 306 CA GLN A 22 -16.880 -8.242 -3.837 1.00 0.00 C ATOM 307 C GLN A 22 -16.390 -9.271 -2.823 1.00 0.00 C ATOM 308 O GLN A 22 -17.182 -9.855 -2.085 1.00 0.00 O ATOM 309 CB GLN A 22 -17.440 -8.952 -5.071 1.00 0.00 C ATOM 310 CG GLN A 22 -16.380 -9.667 -5.894 1.00 0.00 C ATOM 311 CD GLN A 22 -16.960 -10.766 -6.762 1.00 0.00 C ATOM 312 OE1 GLN A 22 -17.991 -11.354 -6.434 1.00 0.00 O ATOM 313 NE2 GLN A 22 -16.298 -11.051 -7.878 1.00 0.00 N ATOM 0 H GLN A 22 -15.082 -7.759 -4.799 1.00 0.00 H new ATOM 0 HA GLN A 22 -17.672 -7.652 -3.376 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -18.191 -9.675 -4.754 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -17.947 -8.222 -5.702 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.866 -8.943 -6.526 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -15.632 -10.094 -5.225 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -15.447 -10.539 -8.111 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -16.640 -11.782 -8.501 1.00 0.00 H new ATOM 322 N ASN A 23 -15.079 -9.488 -2.794 1.00 0.00 N ATOM 323 CA ASN A 23 -14.484 -10.448 -1.871 1.00 0.00 C ATOM 324 C ASN A 23 -14.004 -9.754 -0.600 1.00 0.00 C ATOM 325 O ASN A 23 -13.147 -10.272 0.116 1.00 0.00 O ATOM 326 CB ASN A 23 -13.316 -11.174 -2.541 1.00 0.00 C ATOM 327 CG ASN A 23 -13.714 -11.820 -3.854 1.00 0.00 C ATOM 328 OD1 ASN A 23 -13.577 -11.219 -4.920 1.00 0.00 O ATOM 329 ND2 ASN A 23 -14.209 -13.050 -3.783 1.00 0.00 N ATOM 0 H ASN A 23 -14.409 -9.013 -3.398 1.00 0.00 H new ATOM 0 HA ASN A 23 -15.248 -11.176 -1.600 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.506 -10.467 -2.718 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -12.931 -11.938 -1.865 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -14.494 -13.535 -4.634 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -14.305 -13.510 -2.878 1.00 0.00 H new ATOM 336 N SER A 24 -14.563 -8.580 -0.325 1.00 0.00 N ATOM 337 CA SER A 24 -14.190 -7.813 0.858 1.00 0.00 C ATOM 338 C SER A 24 -12.702 -7.968 1.158 1.00 0.00 C ATOM 339 O SER A 24 -12.299 -8.081 2.317 1.00 0.00 O ATOM 340 CB SER A 24 -15.016 -8.264 2.064 1.00 0.00 C ATOM 341 OG SER A 24 -14.716 -9.604 2.416 1.00 0.00 O ATOM 0 H SER A 24 -15.276 -8.139 -0.906 1.00 0.00 H new ATOM 0 HA SER A 24 -14.395 -6.761 0.660 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.816 -7.609 2.912 1.00 0.00 H new ATOM 0 HB3 SER A 24 -16.078 -8.174 1.836 1.00 0.00 H new ATOM 0 HG SER A 24 -15.256 -9.868 3.190 1.00 0.00 H new ATOM 347 N THR A 25 -11.890 -7.972 0.106 1.00 0.00 N ATOM 348 CA THR A 25 -10.447 -8.114 0.256 1.00 0.00 C ATOM 349 C THR A 25 -9.855 -6.936 1.020 1.00 0.00 C ATOM 350 O THR A 25 -10.280 -5.793 0.846 1.00 0.00 O ATOM 351 CB THR A 25 -9.749 -8.227 -1.113 1.00 0.00 C ATOM 352 OG1 THR A 25 -10.635 -8.822 -2.067 1.00 0.00 O ATOM 353 CG2 THR A 25 -8.479 -9.057 -1.006 1.00 0.00 C ATOM 0 H THR A 25 -12.207 -7.879 -0.859 1.00 0.00 H new ATOM 0 HA THR A 25 -10.276 -9.031 0.820 1.00 0.00 H new ATOM 0 HB THR A 25 -9.481 -7.223 -1.443 1.00 0.00 H new ATOM 0 HG1 THR A 25 -10.184 -8.889 -2.935 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.004 -9.123 -1.985 1.00 0.00 H new ATOM 0 HG22 THR A 25 -7.794 -8.585 -0.301 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.727 -10.059 -0.655 1.00 0.00 H new ATOM 361 N TYR A 26 -8.872 -7.220 1.867 1.00 0.00 N ATOM 362 CA TYR A 26 -8.222 -6.183 2.660 1.00 0.00 C ATOM 363 C TYR A 26 -7.128 -5.488 1.856 1.00 0.00 C ATOM 364 O TYR A 26 -6.588 -6.052 0.905 1.00 0.00 O ATOM 365 CB TYR A 26 -7.630 -6.783 3.936 1.00 0.00 C ATOM 366 CG TYR A 26 -8.666 -7.119 4.985 1.00 0.00 C ATOM 367 CD1 TYR A 26 -9.875 -7.705 4.631 1.00 0.00 C ATOM 368 CD2 TYR A 26 -8.436 -6.850 6.328 1.00 0.00 C ATOM 369 CE1 TYR A 26 -10.825 -8.013 5.586 1.00 0.00 C ATOM 370 CE2 TYR A 26 -9.380 -7.156 7.289 1.00 0.00 C ATOM 371 CZ TYR A 26 -10.573 -7.737 6.913 1.00 0.00 C ATOM 372 OH TYR A 26 -11.516 -8.043 7.868 1.00 0.00 O ATOM 0 H TYR A 26 -8.508 -8.160 2.022 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.975 -5.443 2.930 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.078 -7.687 3.680 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.912 -6.080 4.359 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.076 -7.923 3.592 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.503 -6.394 6.626 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.760 -8.468 5.294 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.185 -6.941 8.329 1.00 0.00 H new ATOM 0 HH TYR A 26 -11.181 -7.786 8.752 1.00 0.00 H new ATOM 382 N GLN A 27 -6.806 -4.259 2.246 1.00 0.00 N ATOM 383 CA GLN A 27 -5.776 -3.485 1.562 1.00 0.00 C ATOM 384 C GLN A 27 -4.687 -3.047 2.536 1.00 0.00 C ATOM 385 O GLN A 27 -4.875 -2.109 3.312 1.00 0.00 O ATOM 386 CB GLN A 27 -6.393 -2.261 0.884 1.00 0.00 C ATOM 387 CG GLN A 27 -5.368 -1.334 0.252 1.00 0.00 C ATOM 388 CD GLN A 27 -4.929 -1.800 -1.123 1.00 0.00 C ATOM 389 OE1 GLN A 27 -5.710 -1.785 -2.074 1.00 0.00 O ATOM 390 NE2 GLN A 27 -3.673 -2.217 -1.233 1.00 0.00 N ATOM 0 H GLN A 27 -7.243 -3.778 3.032 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.323 -4.122 0.802 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.091 -2.595 0.116 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.972 -1.702 1.619 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.789 -0.332 0.174 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.497 -1.264 0.903 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.061 -2.212 -0.417 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.321 -2.542 -2.133 1.00 0.00 H new ATOM 399 N CYS A 28 -3.549 -3.732 2.491 1.00 0.00 N ATOM 400 CA CYS A 28 -2.430 -3.414 3.370 1.00 0.00 C ATOM 401 C CYS A 28 -1.988 -1.965 3.186 1.00 0.00 C ATOM 402 O CYS A 28 -1.648 -1.544 2.080 1.00 0.00 O ATOM 403 CB CYS A 28 -1.256 -4.356 3.095 1.00 0.00 C ATOM 404 SG CYS A 28 -0.111 -4.546 4.499 1.00 0.00 S ATOM 0 H CYS A 28 -3.378 -4.511 1.855 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.760 -3.546 4.400 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.647 -5.337 2.823 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.700 -3.985 2.234 1.00 0.00 H new ATOM 409 N LYS A 29 -1.995 -1.208 4.277 1.00 0.00 N ATOM 410 CA LYS A 29 -1.594 0.194 4.239 1.00 0.00 C ATOM 411 C LYS A 29 -0.102 0.340 4.518 1.00 0.00 C ATOM 412 O LYS A 29 0.336 1.331 5.104 1.00 0.00 O ATOM 413 CB LYS A 29 -2.397 1.004 5.259 1.00 0.00 C ATOM 414 CG LYS A 29 -2.202 0.540 6.693 1.00 0.00 C ATOM 415 CD LYS A 29 -1.053 1.273 7.364 1.00 0.00 C ATOM 416 CE LYS A 29 -1.263 1.381 8.867 1.00 0.00 C ATOM 417 NZ LYS A 29 -2.282 2.411 9.212 1.00 0.00 N ATOM 0 H LYS A 29 -2.274 -1.542 5.200 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.798 0.578 3.239 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.111 2.053 5.183 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.456 0.943 5.007 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.120 0.705 7.258 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.008 -0.533 6.706 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.119 0.749 7.163 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.957 2.271 6.936 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.576 0.414 9.260 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.317 1.630 9.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.252 2.600 10.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.079 3.288 8.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.227 2.065 8.951 1.00 0.00 H new ATOM 431 N HIS A 30 0.675 -0.652 4.095 1.00 0.00 N ATOM 432 CA HIS A 30 2.119 -0.632 4.298 1.00 0.00 C ATOM 433 C HIS A 30 2.856 -0.896 2.989 1.00 0.00 C ATOM 434 O HIS A 30 3.876 -0.269 2.701 1.00 0.00 O ATOM 435 CB HIS A 30 2.523 -1.673 5.343 1.00 0.00 C ATOM 436 CG HIS A 30 2.458 -1.166 6.751 1.00 0.00 C ATOM 437 ND1 HIS A 30 2.772 0.131 7.099 1.00 0.00 N ATOM 438 CD2 HIS A 30 2.110 -1.789 7.901 1.00 0.00 C ATOM 439 CE1 HIS A 30 2.622 0.283 8.402 1.00 0.00 C ATOM 440 NE2 HIS A 30 2.220 -0.867 8.913 1.00 0.00 N ATOM 0 H HIS A 30 0.329 -1.480 3.610 1.00 0.00 H new ATOM 0 HA HIS A 30 2.396 0.359 4.657 1.00 0.00 H new ATOM 0 HB2 HIS A 30 1.872 -2.542 5.248 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.538 -2.011 5.134 1.00 0.00 H new ATOM 0 HD2 HIS A 30 1.803 -2.819 8.004 1.00 0.00 H new ATOM 0 HE1 HIS A 30 2.798 1.193 8.956 1.00 0.00 H new ATOM 0 HE2 HIS A 30 2.023 -1.042 9.898 1.00 0.00 H new ATOM 448 N CYS A 31 2.333 -1.828 2.199 1.00 0.00 N ATOM 449 CA CYS A 31 2.941 -2.176 0.920 1.00 0.00 C ATOM 450 C CYS A 31 1.929 -2.051 -0.215 1.00 0.00 C ATOM 451 O CYS A 31 2.287 -2.126 -1.391 1.00 0.00 O ATOM 452 CB CYS A 31 3.498 -3.600 0.968 1.00 0.00 C ATOM 453 SG CYS A 31 2.243 -4.879 1.295 1.00 0.00 S ATOM 0 H CYS A 31 1.489 -2.356 2.422 1.00 0.00 H new ATOM 0 HA CYS A 31 3.758 -1.480 0.732 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.986 -3.820 0.019 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.265 -3.653 1.741 1.00 0.00 H new ATOM 458 N ASP A 32 0.665 -1.861 0.145 1.00 0.00 N ATOM 459 CA ASP A 32 -0.400 -1.725 -0.842 1.00 0.00 C ATOM 460 C ASP A 32 -0.738 -3.075 -1.466 1.00 0.00 C ATOM 461 O ASP A 32 -0.870 -3.192 -2.685 1.00 0.00 O ATOM 462 CB ASP A 32 0.011 -0.734 -1.932 1.00 0.00 C ATOM 463 CG ASP A 32 -1.181 -0.047 -2.568 1.00 0.00 C ATOM 464 OD1 ASP A 32 -1.705 0.912 -1.964 1.00 0.00 O ATOM 465 OD2 ASP A 32 -1.591 -0.468 -3.671 1.00 0.00 O ATOM 0 H ASP A 32 0.352 -1.798 1.114 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.287 -1.348 -0.334 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.674 0.018 -1.504 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.578 -1.259 -2.701 1.00 0.00 H new ATOM 470 N SER A 33 -0.876 -4.093 -0.623 1.00 0.00 N ATOM 471 CA SER A 33 -1.194 -5.437 -1.092 1.00 0.00 C ATOM 472 C SER A 33 -2.662 -5.767 -0.841 1.00 0.00 C ATOM 473 O SER A 33 -3.435 -4.916 -0.400 1.00 0.00 O ATOM 474 CB SER A 33 -0.302 -6.467 -0.397 1.00 0.00 C ATOM 475 OG SER A 33 -0.411 -7.737 -1.017 1.00 0.00 O ATOM 0 H SER A 33 -0.773 -4.013 0.389 1.00 0.00 H new ATOM 0 HA SER A 33 -1.010 -5.473 -2.166 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.735 -6.133 -0.425 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.583 -6.546 0.653 1.00 0.00 H new ATOM 0 HG SER A 33 0.170 -8.377 -0.556 1.00 0.00 H new ATOM 481 N LYS A 34 -3.040 -7.008 -1.126 1.00 0.00 N ATOM 482 CA LYS A 34 -4.415 -7.454 -0.931 1.00 0.00 C ATOM 483 C LYS A 34 -4.454 -8.794 -0.203 1.00 0.00 C ATOM 484 O LYS A 34 -3.774 -9.744 -0.593 1.00 0.00 O ATOM 485 CB LYS A 34 -5.130 -7.572 -2.279 1.00 0.00 C ATOM 486 CG LYS A 34 -5.457 -6.232 -2.914 1.00 0.00 C ATOM 487 CD LYS A 34 -6.528 -6.368 -3.983 1.00 0.00 C ATOM 488 CE LYS A 34 -7.003 -5.008 -4.472 1.00 0.00 C ATOM 489 NZ LYS A 34 -7.642 -4.220 -3.382 1.00 0.00 N ATOM 0 H LYS A 34 -2.413 -7.724 -1.493 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.928 -6.713 -0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.505 -8.146 -2.963 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.053 -8.135 -2.143 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.795 -5.537 -2.145 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.555 -5.807 -3.354 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.135 -6.941 -4.823 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.374 -6.928 -3.583 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.157 -4.451 -4.875 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.714 -5.143 -5.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.493 -3.748 -3.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.907 -4.856 -2.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.973 -3.505 -3.033 1.00 0.00 H new ATOM 503 N LEU A 35 -5.255 -8.864 0.854 1.00 0.00 N ATOM 504 CA LEU A 35 -5.385 -10.089 1.636 1.00 0.00 C ATOM 505 C LEU A 35 -6.847 -10.509 1.752 1.00 0.00 C ATOM 506 O LEU A 35 -7.752 -9.705 1.530 1.00 0.00 O ATOM 507 CB LEU A 35 -4.786 -9.893 3.030 1.00 0.00 C ATOM 508 CG LEU A 35 -3.265 -10.007 3.129 1.00 0.00 C ATOM 509 CD1 LEU A 35 -2.593 -9.072 2.135 1.00 0.00 C ATOM 510 CD2 LEU A 35 -2.799 -9.706 4.546 1.00 0.00 C ATOM 0 H LEU A 35 -5.824 -8.087 1.190 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.840 -10.880 1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.081 -8.909 3.395 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.230 -10.628 3.701 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.980 -11.030 2.883 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.511 -9.167 2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.902 -9.334 1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.885 -8.044 2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.714 -9.792 4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.096 -8.694 4.820 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.253 -10.417 5.237 1.00 0.00 H new ATOM 522 N GLN A 36 -7.068 -11.771 2.104 1.00 0.00 N ATOM 523 CA GLN A 36 -8.420 -12.296 2.251 1.00 0.00 C ATOM 524 C GLN A 36 -9.146 -11.616 3.407 1.00 0.00 C ATOM 525 O GLN A 36 -10.291 -11.187 3.267 1.00 0.00 O ATOM 526 CB GLN A 36 -8.381 -13.809 2.477 1.00 0.00 C ATOM 527 CG GLN A 36 -7.876 -14.591 1.276 1.00 0.00 C ATOM 528 CD GLN A 36 -8.366 -14.020 -0.040 1.00 0.00 C ATOM 529 OE1 GLN A 36 -9.402 -14.433 -0.562 1.00 0.00 O ATOM 530 NE2 GLN A 36 -7.622 -13.064 -0.585 1.00 0.00 N ATOM 0 H GLN A 36 -6.329 -12.448 2.293 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.965 -12.087 1.331 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.743 -14.023 3.334 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.383 -14.156 2.731 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.786 -14.596 1.282 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.200 -15.628 1.361 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.771 -12.752 -0.118 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.902 -12.642 -1.470 1.00 0.00 H new ATOM 539 N SER A 37 -8.472 -11.521 4.548 1.00 0.00 N ATOM 540 CA SER A 37 -9.054 -10.896 5.730 1.00 0.00 C ATOM 541 C SER A 37 -8.021 -10.779 6.847 1.00 0.00 C ATOM 542 O SER A 37 -6.858 -11.147 6.676 1.00 0.00 O ATOM 543 CB SER A 37 -10.259 -11.702 6.218 1.00 0.00 C ATOM 544 OG SER A 37 -11.456 -11.250 5.607 1.00 0.00 O ATOM 0 H SER A 37 -7.522 -11.869 4.679 1.00 0.00 H new ATOM 0 HA SER A 37 -9.383 -9.894 5.456 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.109 -12.758 5.994 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.344 -11.615 7.301 1.00 0.00 H new ATOM 0 HG SER A 37 -11.247 -10.843 4.740 1.00 0.00 H new ATOM 550 N THR A 38 -8.454 -10.263 7.993 1.00 0.00 N ATOM 551 CA THR A 38 -7.569 -10.095 9.139 1.00 0.00 C ATOM 552 C THR A 38 -6.648 -11.300 9.304 1.00 0.00 C ATOM 553 O THR A 38 -5.427 -11.174 9.227 1.00 0.00 O ATOM 554 CB THR A 38 -8.367 -9.892 10.441 1.00 0.00 C ATOM 555 OG1 THR A 38 -9.700 -10.390 10.281 1.00 0.00 O ATOM 556 CG2 THR A 38 -8.412 -8.420 10.823 1.00 0.00 C ATOM 0 H THR A 38 -9.413 -9.954 8.152 1.00 0.00 H new ATOM 0 HA THR A 38 -6.969 -9.205 8.947 1.00 0.00 H new ATOM 0 HB THR A 38 -7.867 -10.443 11.238 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.200 -10.259 11.113 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.981 -8.301 11.745 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.397 -8.052 10.972 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.891 -7.852 10.026 1.00 0.00 H new ATOM 564 N ALA A 39 -7.243 -12.466 9.530 1.00 0.00 N ATOM 565 CA ALA A 39 -6.476 -13.694 9.702 1.00 0.00 C ATOM 566 C ALA A 39 -5.194 -13.661 8.877 1.00 0.00 C ATOM 567 O ALA A 39 -4.154 -14.156 9.310 1.00 0.00 O ATOM 568 CB ALA A 39 -7.320 -14.901 9.322 1.00 0.00 C ATOM 0 H ALA A 39 -8.254 -12.587 9.598 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.198 -13.775 10.753 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.735 -15.811 9.455 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.204 -14.942 9.958 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.627 -14.817 8.280 1.00 0.00 H new ATOM 574 N GLU A 40 -5.277 -13.074 7.687 1.00 0.00 N ATOM 575 CA GLU A 40 -4.122 -12.979 6.801 1.00 0.00 C ATOM 576 C GLU A 40 -3.292 -11.739 7.121 1.00 0.00 C ATOM 577 O GLU A 40 -2.062 -11.795 7.159 1.00 0.00 O ATOM 578 CB GLU A 40 -4.575 -12.940 5.340 1.00 0.00 C ATOM 579 CG GLU A 40 -4.846 -14.314 4.750 1.00 0.00 C ATOM 580 CD GLU A 40 -3.573 -15.056 4.391 1.00 0.00 C ATOM 581 OE1 GLU A 40 -2.548 -14.390 4.141 1.00 0.00 O ATOM 582 OE2 GLU A 40 -3.604 -16.305 4.362 1.00 0.00 O ATOM 0 H GLU A 40 -6.130 -12.658 7.315 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.501 -13.861 6.958 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.480 -12.337 5.265 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.810 -12.442 4.744 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.418 -14.906 5.465 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.464 -14.207 3.858 1.00 0.00 H new ATOM 589 N LEU A 41 -3.973 -10.622 7.350 1.00 0.00 N ATOM 590 CA LEU A 41 -3.299 -9.367 7.666 1.00 0.00 C ATOM 591 C LEU A 41 -2.474 -9.499 8.942 1.00 0.00 C ATOM 592 O LEU A 41 -1.291 -9.157 8.968 1.00 0.00 O ATOM 593 CB LEU A 41 -4.323 -8.241 7.822 1.00 0.00 C ATOM 594 CG LEU A 41 -3.814 -6.827 7.538 1.00 0.00 C ATOM 595 CD1 LEU A 41 -3.493 -6.661 6.061 1.00 0.00 C ATOM 596 CD2 LEU A 41 -4.837 -5.793 7.983 1.00 0.00 C ATOM 0 H LEU A 41 -4.991 -10.559 7.323 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.626 -9.127 6.843 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.161 -8.444 7.156 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.711 -8.268 8.840 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.898 -6.671 8.107 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.132 -5.649 5.879 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.724 -7.378 5.773 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.392 -6.838 5.471 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.458 -4.793 7.773 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.770 -5.948 7.442 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.017 -5.896 9.053 1.00 0.00 H new ATOM 608 N THR A 42 -3.105 -9.998 10.001 1.00 0.00 N ATOM 609 CA THR A 42 -2.430 -10.177 11.280 1.00 0.00 C ATOM 610 C THR A 42 -1.066 -10.831 11.095 1.00 0.00 C ATOM 611 O THR A 42 -0.102 -10.483 11.776 1.00 0.00 O ATOM 612 CB THR A 42 -3.271 -11.033 12.245 1.00 0.00 C ATOM 613 OG1 THR A 42 -4.524 -10.391 12.504 1.00 0.00 O ATOM 614 CG2 THR A 42 -2.530 -11.258 13.554 1.00 0.00 C ATOM 0 H THR A 42 -4.084 -10.285 9.997 1.00 0.00 H new ATOM 0 HA THR A 42 -2.298 -9.184 11.709 1.00 0.00 H new ATOM 0 HB THR A 42 -3.450 -12.001 11.776 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.054 -10.942 13.117 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.144 -11.865 14.220 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.590 -11.773 13.356 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.325 -10.297 14.026 1.00 0.00 H new ATOM 622 N SER A 43 -0.991 -11.781 10.167 1.00 0.00 N ATOM 623 CA SER A 43 0.256 -12.487 9.895 1.00 0.00 C ATOM 624 C SER A 43 1.143 -11.678 8.953 1.00 0.00 C ATOM 625 O SER A 43 2.310 -11.422 9.249 1.00 0.00 O ATOM 626 CB SER A 43 -0.034 -13.860 9.287 1.00 0.00 C ATOM 627 OG SER A 43 1.011 -14.775 9.572 1.00 0.00 O ATOM 0 H SER A 43 -1.779 -12.079 9.592 1.00 0.00 H new ATOM 0 HA SER A 43 0.784 -12.620 10.839 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.975 -14.244 9.680 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.155 -13.765 8.208 1.00 0.00 H new ATOM 0 HG SER A 43 0.801 -15.646 9.174 1.00 0.00 H new ATOM 633 N HIS A 44 0.580 -11.279 7.817 1.00 0.00 N ATOM 634 CA HIS A 44 1.319 -10.499 6.831 1.00 0.00 C ATOM 635 C HIS A 44 2.022 -9.316 7.490 1.00 0.00 C ATOM 636 O HIS A 44 3.130 -8.944 7.102 1.00 0.00 O ATOM 637 CB HIS A 44 0.377 -10.001 5.734 1.00 0.00 C ATOM 638 CG HIS A 44 1.046 -9.117 4.726 1.00 0.00 C ATOM 639 ND1 HIS A 44 2.036 -9.561 3.875 1.00 0.00 N ATOM 640 CD2 HIS A 44 0.861 -7.809 4.434 1.00 0.00 C ATOM 641 CE1 HIS A 44 2.432 -8.564 3.105 1.00 0.00 C ATOM 642 NE2 HIS A 44 1.734 -7.489 3.424 1.00 0.00 N ATOM 0 H HIS A 44 -0.385 -11.483 7.557 1.00 0.00 H new ATOM 0 HA HIS A 44 2.075 -11.145 6.385 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.056 -10.860 5.221 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.447 -9.455 6.194 1.00 0.00 H new ATOM 0 HD1 HIS A 44 2.405 -10.511 3.845 1.00 0.00 H new ATOM 0 HD2 HIS A 44 0.157 -7.141 4.908 1.00 0.00 H new ATOM 0 HE1 HIS A 44 3.196 -8.618 2.344 1.00 0.00 H new ATOM 650 N LEU A 45 1.371 -8.728 8.487 1.00 0.00 N ATOM 651 CA LEU A 45 1.933 -7.586 9.200 1.00 0.00 C ATOM 652 C LEU A 45 3.209 -7.979 9.938 1.00 0.00 C ATOM 653 O LEU A 45 4.206 -7.260 9.899 1.00 0.00 O ATOM 654 CB LEU A 45 0.910 -7.024 10.189 1.00 0.00 C ATOM 655 CG LEU A 45 -0.114 -6.046 9.613 1.00 0.00 C ATOM 656 CD1 LEU A 45 -1.076 -5.580 10.695 1.00 0.00 C ATOM 657 CD2 LEU A 45 0.586 -4.856 8.972 1.00 0.00 C ATOM 0 H LEU A 45 0.453 -9.023 8.820 1.00 0.00 H new ATOM 0 HA LEU A 45 2.181 -6.818 8.468 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.372 -7.859 10.638 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.449 -6.523 10.993 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.687 -6.563 8.844 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.797 -4.885 10.266 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.603 -6.440 11.108 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.518 -5.081 11.487 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.159 -4.171 8.567 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.185 -4.339 9.722 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.233 -5.205 8.167 1.00 0.00 H new ATOM 669 N ASN A 46 3.169 -9.126 10.608 1.00 0.00 N ATOM 670 CA ASN A 46 4.323 -9.616 11.353 1.00 0.00 C ATOM 671 C ASN A 46 5.596 -9.503 10.521 1.00 0.00 C ATOM 672 O ASN A 46 6.667 -9.194 11.045 1.00 0.00 O ATOM 673 CB ASN A 46 4.103 -11.070 11.776 1.00 0.00 C ATOM 674 CG ASN A 46 2.733 -11.295 12.385 1.00 0.00 C ATOM 675 OD1 ASN A 46 2.248 -12.424 12.451 1.00 0.00 O ATOM 676 ND2 ASN A 46 2.101 -10.216 12.834 1.00 0.00 N ATOM 0 H ASN A 46 2.351 -9.733 10.650 1.00 0.00 H new ATOM 0 HA ASN A 46 4.438 -8.999 12.244 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.223 -11.720 10.909 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.869 -11.356 12.497 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.176 -10.305 13.254 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.541 -9.299 12.759 1.00 0.00 H new ATOM 683 N ILE A 47 5.472 -9.756 9.222 1.00 0.00 N ATOM 684 CA ILE A 47 6.612 -9.681 8.317 1.00 0.00 C ATOM 685 C ILE A 47 7.208 -8.278 8.299 1.00 0.00 C ATOM 686 O ILE A 47 8.425 -8.110 8.203 1.00 0.00 O ATOM 687 CB ILE A 47 6.219 -10.079 6.882 1.00 0.00 C ATOM 688 CG1 ILE A 47 5.673 -11.508 6.857 1.00 0.00 C ATOM 689 CG2 ILE A 47 7.414 -9.946 5.950 1.00 0.00 C ATOM 690 CD1 ILE A 47 4.823 -11.808 5.642 1.00 0.00 C ATOM 0 H ILE A 47 4.593 -10.015 8.773 1.00 0.00 H new ATOM 0 HA ILE A 47 7.357 -10.385 8.689 1.00 0.00 H new ATOM 0 HB ILE A 47 5.436 -9.405 6.535 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.508 -12.208 6.888 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.081 -11.678 7.756 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.121 -10.231 4.940 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.762 -8.913 5.949 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.217 -10.599 6.292 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.470 -12.838 5.690 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.968 -11.132 5.620 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.418 -11.670 4.739 1.00 0.00 H new ATOM 702 N HIS A 48 6.344 -7.273 8.394 1.00 0.00 N ATOM 703 CA HIS A 48 6.785 -5.882 8.391 1.00 0.00 C ATOM 704 C HIS A 48 7.489 -5.533 9.699 1.00 0.00 C ATOM 705 O HIS A 48 8.602 -5.009 9.695 1.00 0.00 O ATOM 706 CB HIS A 48 5.595 -4.948 8.172 1.00 0.00 C ATOM 707 CG HIS A 48 5.054 -4.983 6.776 1.00 0.00 C ATOM 708 ND1 HIS A 48 5.835 -5.254 5.673 1.00 0.00 N ATOM 709 CD2 HIS A 48 3.800 -4.783 6.308 1.00 0.00 C ATOM 710 CE1 HIS A 48 5.086 -5.216 4.585 1.00 0.00 C ATOM 711 NE2 HIS A 48 3.846 -4.933 4.943 1.00 0.00 N ATOM 0 H HIS A 48 5.335 -7.395 8.474 1.00 0.00 H new ATOM 0 HA HIS A 48 7.493 -5.752 7.572 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.800 -5.217 8.868 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.896 -3.928 8.411 1.00 0.00 H new ATOM 0 HD1 HIS A 48 6.835 -5.453 5.693 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.926 -4.549 6.898 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.429 -5.387 3.575 1.00 0.00 H new ATOM 719 N ASN A 49 6.830 -5.825 10.815 1.00 0.00 N ATOM 720 CA ASN A 49 7.392 -5.540 12.131 1.00 0.00 C ATOM 721 C ASN A 49 8.759 -6.198 12.293 1.00 0.00 C ATOM 722 O ASN A 49 9.739 -5.538 12.635 1.00 0.00 O ATOM 723 CB ASN A 49 6.445 -6.029 13.229 1.00 0.00 C ATOM 724 CG ASN A 49 4.987 -5.797 12.881 1.00 0.00 C ATOM 725 OD1 ASN A 49 4.641 -4.807 12.237 1.00 0.00 O ATOM 726 ND2 ASN A 49 4.125 -6.713 13.307 1.00 0.00 N ATOM 0 H ASN A 49 5.907 -6.258 10.835 1.00 0.00 H new ATOM 0 HA ASN A 49 7.515 -4.461 12.220 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.610 -7.093 13.400 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.679 -5.516 14.162 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.131 -6.612 13.103 1.00 0.00 H new ATOM 0 HD22 ASN A 49 4.457 -7.518 13.838 1.00 0.00 H new ATOM 733 N GLU A 50 8.815 -7.503 12.043 1.00 0.00 N ATOM 734 CA GLU A 50 10.062 -8.249 12.162 1.00 0.00 C ATOM 735 C GLU A 50 11.186 -7.555 11.398 1.00 0.00 C ATOM 736 O GLU A 50 12.346 -7.600 11.806 1.00 0.00 O ATOM 737 CB GLU A 50 9.880 -9.676 11.638 1.00 0.00 C ATOM 738 CG GLU A 50 9.707 -9.753 10.131 1.00 0.00 C ATOM 739 CD GLU A 50 10.012 -11.132 9.578 1.00 0.00 C ATOM 740 OE1 GLU A 50 10.955 -11.777 10.081 1.00 0.00 O ATOM 741 OE2 GLU A 50 9.308 -11.565 8.642 1.00 0.00 O ATOM 0 H GLU A 50 8.013 -8.064 11.757 1.00 0.00 H new ATOM 0 HA GLU A 50 10.333 -8.288 13.217 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.745 -10.273 11.927 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.009 -10.122 12.119 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.684 -9.480 9.872 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.362 -9.022 9.656 1.00 0.00 H new ATOM 748 N GLU A 51 10.833 -6.915 10.289 1.00 0.00 N ATOM 749 CA GLU A 51 11.812 -6.212 9.468 1.00 0.00 C ATOM 750 C GLU A 51 12.292 -4.941 10.162 1.00 0.00 C ATOM 751 O GLU A 51 13.494 -4.697 10.273 1.00 0.00 O ATOM 752 CB GLU A 51 11.213 -5.866 8.103 1.00 0.00 C ATOM 753 CG GLU A 51 11.063 -7.065 7.182 1.00 0.00 C ATOM 754 CD GLU A 51 10.173 -6.778 5.989 1.00 0.00 C ATOM 755 OE1 GLU A 51 10.140 -5.613 5.539 1.00 0.00 O ATOM 756 OE2 GLU A 51 9.508 -7.718 5.505 1.00 0.00 O ATOM 0 H GLU A 51 9.877 -6.868 9.938 1.00 0.00 H new ATOM 0 HA GLU A 51 12.667 -6.872 9.324 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.235 -5.407 8.251 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.844 -5.122 7.617 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.048 -7.373 6.830 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.650 -7.902 7.746 1.00 0.00 H new ATOM 763 N PHE A 52 11.345 -4.134 10.626 1.00 0.00 N ATOM 764 CA PHE A 52 11.670 -2.886 11.308 1.00 0.00 C ATOM 765 C PHE A 52 12.592 -3.140 12.496 1.00 0.00 C ATOM 766 O PHE A 52 13.559 -2.410 12.711 1.00 0.00 O ATOM 767 CB PHE A 52 10.391 -2.190 11.780 1.00 0.00 C ATOM 768 CG PHE A 52 10.562 -0.716 12.013 1.00 0.00 C ATOM 769 CD1 PHE A 52 11.466 -0.251 12.954 1.00 0.00 C ATOM 770 CD2 PHE A 52 9.820 0.203 11.291 1.00 0.00 C ATOM 771 CE1 PHE A 52 11.625 1.105 13.171 1.00 0.00 C ATOM 772 CE2 PHE A 52 9.974 1.560 11.503 1.00 0.00 C ATOM 773 CZ PHE A 52 10.879 2.012 12.444 1.00 0.00 C ATOM 0 H PHE A 52 10.346 -4.321 10.543 1.00 0.00 H new ATOM 0 HA PHE A 52 12.188 -2.238 10.601 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.608 -2.344 11.038 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.051 -2.659 12.704 1.00 0.00 H new ATOM 0 HD1 PHE A 52 12.053 -0.956 13.524 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.112 -0.145 10.553 1.00 0.00 H new ATOM 0 HE1 PHE A 52 12.332 1.455 13.909 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.388 2.266 10.934 1.00 0.00 H new ATOM 0 HZ PHE A 52 11.003 3.072 12.611 1.00 0.00 H new ATOM 783 N GLN A 53 12.285 -4.181 13.264 1.00 0.00 N ATOM 784 CA GLN A 53 13.086 -4.531 14.432 1.00 0.00 C ATOM 785 C GLN A 53 14.489 -4.965 14.019 1.00 0.00 C ATOM 786 O GLN A 53 15.485 -4.439 14.516 1.00 0.00 O ATOM 787 CB GLN A 53 12.406 -5.647 15.227 1.00 0.00 C ATOM 788 CG GLN A 53 13.279 -6.229 16.327 1.00 0.00 C ATOM 789 CD GLN A 53 12.470 -6.776 17.486 1.00 0.00 C ATOM 790 OE1 GLN A 53 11.891 -6.019 18.265 1.00 0.00 O ATOM 791 NE2 GLN A 53 12.426 -8.098 17.606 1.00 0.00 N ATOM 0 H GLN A 53 11.488 -4.796 13.099 1.00 0.00 H new ATOM 0 HA GLN A 53 13.171 -3.646 15.063 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.488 -5.259 15.670 1.00 0.00 H new ATOM 0 HB3 GLN A 53 12.117 -6.445 14.543 1.00 0.00 H new ATOM 0 HG2 GLN A 53 13.897 -7.026 15.912 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.957 -5.458 16.694 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.921 -8.688 16.937 1.00 0.00 H new ATOM 0 HE22 GLN A 53 11.897 -8.524 18.367 1.00 0.00 H new ATOM 800 N LYS A 54 14.560 -5.929 13.108 1.00 0.00 N ATOM 801 CA LYS A 54 15.840 -6.435 12.627 1.00 0.00 C ATOM 802 C LYS A 54 16.640 -5.330 11.944 1.00 0.00 C ATOM 803 O LYS A 54 17.726 -4.967 12.395 1.00 0.00 O ATOM 804 CB LYS A 54 15.621 -7.596 11.654 1.00 0.00 C ATOM 805 CG LYS A 54 15.417 -8.935 12.342 1.00 0.00 C ATOM 806 CD LYS A 54 16.742 -9.621 12.630 1.00 0.00 C ATOM 807 CE LYS A 54 16.593 -10.697 13.695 1.00 0.00 C ATOM 808 NZ LYS A 54 15.814 -11.865 13.198 1.00 0.00 N ATOM 0 H LYS A 54 13.745 -6.376 12.687 1.00 0.00 H new ATOM 0 HA LYS A 54 16.407 -6.792 13.487 1.00 0.00 H new ATOM 0 HB2 LYS A 54 14.752 -7.380 11.033 1.00 0.00 H new ATOM 0 HB3 LYS A 54 16.480 -7.667 10.987 1.00 0.00 H new ATOM 0 HG2 LYS A 54 14.873 -8.787 13.275 1.00 0.00 H new ATOM 0 HG3 LYS A 54 14.802 -9.579 11.713 1.00 0.00 H new ATOM 0 HD2 LYS A 54 17.129 -10.066 11.713 1.00 0.00 H new ATOM 0 HD3 LYS A 54 17.472 -8.881 12.958 1.00 0.00 H new ATOM 0 HE2 LYS A 54 17.580 -11.029 14.016 1.00 0.00 H new ATOM 0 HE3 LYS A 54 16.098 -10.276 14.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.735 -12.576 13.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.863 -11.553 12.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 16.299 -12.283 12.379 1.00 0.00 H new ATOM 822 N ARG A 55 16.095 -4.798 10.855 1.00 0.00 N ATOM 823 CA ARG A 55 16.758 -3.735 10.110 1.00 0.00 C ATOM 824 C ARG A 55 17.440 -2.752 11.057 1.00 0.00 C ATOM 825 O ARG A 55 18.477 -2.177 10.728 1.00 0.00 O ATOM 826 CB ARG A 55 15.749 -2.994 9.230 1.00 0.00 C ATOM 827 CG ARG A 55 16.379 -2.301 8.033 1.00 0.00 C ATOM 828 CD ARG A 55 15.517 -1.149 7.539 1.00 0.00 C ATOM 829 NE ARG A 55 14.164 -1.583 7.200 1.00 0.00 N ATOM 830 CZ ARG A 55 13.379 -0.940 6.344 1.00 0.00 C ATOM 831 NH1 ARG A 55 13.809 0.161 5.744 1.00 0.00 N ATOM 832 NH2 ARG A 55 12.160 -1.397 6.087 1.00 0.00 N ATOM 0 H ARG A 55 15.196 -5.086 10.469 1.00 0.00 H new ATOM 0 HA ARG A 55 17.519 -4.190 9.475 1.00 0.00 H new ATOM 0 HB2 ARG A 55 14.999 -3.702 8.876 1.00 0.00 H new ATOM 0 HB3 ARG A 55 15.227 -2.253 9.835 1.00 0.00 H new ATOM 0 HG2 ARG A 55 17.366 -1.928 8.305 1.00 0.00 H new ATOM 0 HG3 ARG A 55 16.522 -3.021 7.228 1.00 0.00 H new ATOM 0 HD2 ARG A 55 15.468 -0.377 8.307 1.00 0.00 H new ATOM 0 HD3 ARG A 55 15.983 -0.697 6.663 1.00 0.00 H new ATOM 0 HE ARG A 55 13.803 -2.426 7.645 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.745 0.516 5.940 1.00 0.00 H new ATOM 0 HH12 ARG A 55 13.204 0.653 5.087 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.825 -2.243 6.547 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.558 -0.902 5.429 1.00 0.00 H new ATOM 846 N ALA A 56 16.851 -2.565 12.233 1.00 0.00 N ATOM 847 CA ALA A 56 17.403 -1.654 13.228 1.00 0.00 C ATOM 848 C ALA A 56 18.480 -2.339 14.062 1.00 0.00 C ATOM 849 O ALA A 56 18.508 -2.209 15.286 1.00 0.00 O ATOM 850 CB ALA A 56 16.297 -1.120 14.126 1.00 0.00 C ATOM 0 H ALA A 56 15.991 -3.032 12.520 1.00 0.00 H new ATOM 0 HA ALA A 56 17.865 -0.818 12.703 1.00 0.00 H new ATOM 0 HB1 ALA A 56 16.724 -0.441 14.864 1.00 0.00 H new ATOM 0 HB2 ALA A 56 15.564 -0.585 13.522 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.810 -1.951 14.636 1.00 0.00 H new ATOM 856 N LYS A 57 19.365 -3.069 13.392 1.00 0.00 N ATOM 857 CA LYS A 57 20.445 -3.775 14.071 1.00 0.00 C ATOM 858 C LYS A 57 21.791 -3.115 13.784 1.00 0.00 C ATOM 859 O LYS A 57 22.481 -2.667 14.700 1.00 0.00 O ATOM 860 CB LYS A 57 20.480 -5.240 13.632 1.00 0.00 C ATOM 861 CG LYS A 57 21.311 -6.129 14.541 1.00 0.00 C ATOM 862 CD LYS A 57 22.768 -6.157 14.113 1.00 0.00 C ATOM 863 CE LYS A 57 23.016 -7.217 13.050 1.00 0.00 C ATOM 864 NZ LYS A 57 24.308 -7.001 12.341 1.00 0.00 N ATOM 0 H LYS A 57 19.356 -3.187 12.379 1.00 0.00 H new ATOM 0 HA LYS A 57 20.258 -3.728 15.144 1.00 0.00 H new ATOM 0 HB2 LYS A 57 19.460 -5.624 13.596 1.00 0.00 H new ATOM 0 HB3 LYS A 57 20.878 -5.297 12.619 1.00 0.00 H new ATOM 0 HG2 LYS A 57 21.239 -5.770 15.568 1.00 0.00 H new ATOM 0 HG3 LYS A 57 20.908 -7.142 14.529 1.00 0.00 H new ATOM 0 HD2 LYS A 57 23.054 -5.179 13.727 1.00 0.00 H new ATOM 0 HD3 LYS A 57 23.399 -6.354 14.979 1.00 0.00 H new ATOM 0 HE2 LYS A 57 23.017 -8.203 13.514 1.00 0.00 H new ATOM 0 HE3 LYS A 57 22.199 -7.205 12.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 24.147 -7.016 11.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 24.705 -6.080 12.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 24.975 -7.756 12.598 1.00 0.00 H new ATOM 878 N ARG A 58 22.156 -3.058 12.508 1.00 0.00 N ATOM 879 CA ARG A 58 23.419 -2.453 12.101 1.00 0.00 C ATOM 880 C ARG A 58 23.185 -1.094 11.449 1.00 0.00 C ATOM 881 O ARG A 58 22.097 -0.816 10.945 1.00 0.00 O ATOM 882 CB ARG A 58 24.161 -3.375 11.131 1.00 0.00 C ATOM 883 CG ARG A 58 25.650 -3.083 11.034 1.00 0.00 C ATOM 884 CD ARG A 58 26.289 -3.832 9.875 1.00 0.00 C ATOM 885 NE ARG A 58 26.008 -3.196 8.590 1.00 0.00 N ATOM 886 CZ ARG A 58 26.769 -3.348 7.512 1.00 0.00 C ATOM 887 NH1 ARG A 58 27.852 -4.111 7.564 1.00 0.00 N ATOM 888 NH2 ARG A 58 26.447 -2.736 6.380 1.00 0.00 N ATOM 0 H ARG A 58 21.596 -3.423 11.738 1.00 0.00 H new ATOM 0 HA ARG A 58 24.029 -2.309 12.993 1.00 0.00 H new ATOM 0 HB2 ARG A 58 24.022 -4.409 11.447 1.00 0.00 H new ATOM 0 HB3 ARG A 58 23.715 -3.281 10.141 1.00 0.00 H new ATOM 0 HG2 ARG A 58 25.804 -2.012 10.906 1.00 0.00 H new ATOM 0 HG3 ARG A 58 26.139 -3.366 11.966 1.00 0.00 H new ATOM 0 HD2 ARG A 58 27.367 -3.882 10.026 1.00 0.00 H new ATOM 0 HD3 ARG A 58 25.921 -4.858 9.860 1.00 0.00 H new ATOM 0 HE ARG A 58 25.182 -2.602 8.517 1.00 0.00 H new ATOM 0 HH11 ARG A 58 28.102 -4.583 8.433 1.00 0.00 H new ATOM 0 HH12 ARG A 58 28.435 -4.226 6.735 1.00 0.00 H new ATOM 0 HH21 ARG A 58 25.615 -2.148 6.337 1.00 0.00 H new ATOM 0 HH22 ARG A 58 27.032 -2.853 5.553 1.00 0.00 H new ATOM 902 N GLN A 59 24.213 -0.251 11.464 1.00 0.00 N ATOM 903 CA GLN A 59 24.118 1.080 10.876 1.00 0.00 C ATOM 904 C GLN A 59 23.587 1.007 9.448 1.00 0.00 C ATOM 905 O GLN A 59 24.166 0.335 8.595 1.00 0.00 O ATOM 906 CB GLN A 59 25.485 1.765 10.890 1.00 0.00 C ATOM 907 CG GLN A 59 25.414 3.270 10.687 1.00 0.00 C ATOM 908 CD GLN A 59 26.743 3.956 10.931 1.00 0.00 C ATOM 909 OE1 GLN A 59 27.785 3.504 10.454 1.00 0.00 O ATOM 910 NE2 GLN A 59 26.715 5.054 11.678 1.00 0.00 N ATOM 0 H GLN A 59 25.121 -0.466 11.877 1.00 0.00 H new ATOM 0 HA GLN A 59 23.420 1.666 11.474 1.00 0.00 H new ATOM 0 HB2 GLN A 59 25.976 1.558 11.841 1.00 0.00 H new ATOM 0 HB3 GLN A 59 26.108 1.330 10.108 1.00 0.00 H new ATOM 0 HG2 GLN A 59 25.083 3.480 9.670 1.00 0.00 H new ATOM 0 HG3 GLN A 59 24.665 3.688 11.359 1.00 0.00 H new ATOM 0 HE21 GLN A 59 25.829 5.393 12.053 1.00 0.00 H new ATOM 0 HE22 GLN A 59 27.579 5.558 11.877 1.00 0.00 H new ATOM 919 N GLU A 60 22.482 1.702 9.196 1.00 0.00 N ATOM 920 CA GLU A 60 21.873 1.715 7.871 1.00 0.00 C ATOM 921 C GLU A 60 22.116 3.050 7.173 1.00 0.00 C ATOM 922 O GLU A 60 22.317 4.075 7.824 1.00 0.00 O ATOM 923 CB GLU A 60 20.371 1.446 7.974 1.00 0.00 C ATOM 924 CG GLU A 60 19.793 0.743 6.757 1.00 0.00 C ATOM 925 CD GLU A 60 18.293 0.924 6.636 1.00 0.00 C ATOM 926 OE1 GLU A 60 17.631 1.115 7.678 1.00 0.00 O ATOM 927 OE2 GLU A 60 17.780 0.875 5.498 1.00 0.00 O ATOM 0 H GLU A 60 21.991 2.263 9.892 1.00 0.00 H new ATOM 0 HA GLU A 60 22.336 0.926 7.278 1.00 0.00 H new ATOM 0 HB2 GLU A 60 20.179 0.839 8.859 1.00 0.00 H new ATOM 0 HB3 GLU A 60 19.850 2.393 8.118 1.00 0.00 H new ATOM 0 HG2 GLU A 60 20.275 1.126 5.858 1.00 0.00 H new ATOM 0 HG3 GLU A 60 20.023 -0.321 6.813 1.00 0.00 H new ATOM 934 N ARG A 61 22.098 3.028 5.845 1.00 0.00 N ATOM 935 CA ARG A 61 22.318 4.235 5.058 1.00 0.00 C ATOM 936 C ARG A 61 21.128 5.184 5.173 1.00 0.00 C ATOM 937 O ARG A 61 20.081 4.820 5.709 1.00 0.00 O ATOM 938 CB ARG A 61 22.557 3.876 3.590 1.00 0.00 C ATOM 939 CG ARG A 61 23.740 2.946 3.376 1.00 0.00 C ATOM 940 CD ARG A 61 25.054 3.712 3.350 1.00 0.00 C ATOM 941 NE ARG A 61 26.196 2.849 3.638 1.00 0.00 N ATOM 942 CZ ARG A 61 27.455 3.273 3.641 1.00 0.00 C ATOM 943 NH1 ARG A 61 27.731 4.542 3.374 1.00 0.00 N ATOM 944 NH2 ARG A 61 28.440 2.427 3.913 1.00 0.00 N ATOM 0 H ARG A 61 21.933 2.187 5.291 1.00 0.00 H new ATOM 0 HA ARG A 61 23.202 4.738 5.451 1.00 0.00 H new ATOM 0 HB2 ARG A 61 21.659 3.406 3.189 1.00 0.00 H new ATOM 0 HB3 ARG A 61 22.718 4.792 3.022 1.00 0.00 H new ATOM 0 HG2 ARG A 61 23.767 2.201 4.172 1.00 0.00 H new ATOM 0 HG3 ARG A 61 23.614 2.405 2.438 1.00 0.00 H new ATOM 0 HD2 ARG A 61 25.186 4.173 2.371 1.00 0.00 H new ATOM 0 HD3 ARG A 61 25.017 4.520 4.080 1.00 0.00 H new ATOM 0 HE ARG A 61 26.017 1.867 3.848 1.00 0.00 H new ATOM 0 HH11 ARG A 61 26.976 5.195 3.166 1.00 0.00 H new ATOM 0 HH12 ARG A 61 28.698 4.865 3.377 1.00 0.00 H new ATOM 0 HH21 ARG A 61 28.231 1.450 4.120 1.00 0.00 H new ATOM 0 HH22 ARG A 61 29.406 2.753 3.915 1.00 0.00 H new ATOM 958 N ARG A 62 21.296 6.401 4.666 1.00 0.00 N ATOM 959 CA ARG A 62 20.237 7.402 4.714 1.00 0.00 C ATOM 960 C ARG A 62 19.097 7.031 3.770 1.00 0.00 C ATOM 961 O ARG A 62 19.099 5.959 3.166 1.00 0.00 O ATOM 962 CB ARG A 62 20.791 8.779 4.346 1.00 0.00 C ATOM 963 CG ARG A 62 21.449 8.825 2.976 1.00 0.00 C ATOM 964 CD ARG A 62 20.467 9.259 1.900 1.00 0.00 C ATOM 965 NE ARG A 62 20.361 10.713 1.809 1.00 0.00 N ATOM 966 CZ ARG A 62 19.944 11.353 0.723 1.00 0.00 C ATOM 967 NH1 ARG A 62 19.593 10.671 -0.359 1.00 0.00 N ATOM 968 NH2 ARG A 62 19.875 12.678 0.718 1.00 0.00 N ATOM 0 H ARG A 62 22.156 6.718 4.217 1.00 0.00 H new ATOM 0 HA ARG A 62 19.848 7.435 5.731 1.00 0.00 H new ATOM 0 HB2 ARG A 62 19.980 9.507 4.375 1.00 0.00 H new ATOM 0 HB3 ARG A 62 21.518 9.082 5.099 1.00 0.00 H new ATOM 0 HG2 ARG A 62 22.293 9.515 3.000 1.00 0.00 H new ATOM 0 HG3 ARG A 62 21.848 7.841 2.730 1.00 0.00 H new ATOM 0 HD2 ARG A 62 20.784 8.858 0.937 1.00 0.00 H new ATOM 0 HD3 ARG A 62 19.485 8.837 2.114 1.00 0.00 H new ATOM 0 HE ARG A 62 20.622 11.267 2.625 1.00 0.00 H new ATOM 0 HH11 ARG A 62 19.643 9.652 -0.358 1.00 0.00 H new ATOM 0 HH12 ARG A 62 19.273 11.165 -1.192 1.00 0.00 H new ATOM 0 HH21 ARG A 62 20.142 13.206 1.549 1.00 0.00 H new ATOM 0 HH22 ARG A 62 19.555 13.169 -0.117 1.00 0.00 H new ATOM 982 N LYS A 63 18.122 7.926 3.649 1.00 0.00 N ATOM 983 CA LYS A 63 16.975 7.696 2.779 1.00 0.00 C ATOM 984 C LYS A 63 17.426 7.284 1.381 1.00 0.00 C ATOM 985 O LYS A 63 18.619 7.114 1.130 1.00 0.00 O ATOM 986 CB LYS A 63 16.110 8.956 2.696 1.00 0.00 C ATOM 987 CG LYS A 63 15.036 9.028 3.768 1.00 0.00 C ATOM 988 CD LYS A 63 13.745 8.370 3.309 1.00 0.00 C ATOM 989 CE LYS A 63 12.707 8.346 4.420 1.00 0.00 C ATOM 990 NZ LYS A 63 12.914 7.199 5.348 1.00 0.00 N ATOM 0 H LYS A 63 18.104 8.818 4.143 1.00 0.00 H new ATOM 0 HA LYS A 63 16.385 6.885 3.206 1.00 0.00 H new ATOM 0 HB2 LYS A 63 16.752 9.833 2.777 1.00 0.00 H new ATOM 0 HB3 LYS A 63 15.636 8.997 1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 63 15.392 8.539 4.675 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.844 10.070 4.022 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.347 8.908 2.449 1.00 0.00 H new ATOM 0 HD3 LYS A 63 13.951 7.351 2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.753 9.280 4.981 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.710 8.285 3.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.187 7.218 6.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.845 6.307 4.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.856 7.270 5.784 1.00 0.00 H new ATOM 1004 N GLN A 64 16.465 7.127 0.476 1.00 0.00 N ATOM 1005 CA GLN A 64 16.765 6.736 -0.896 1.00 0.00 C ATOM 1006 C GLN A 64 16.352 7.828 -1.876 1.00 0.00 C ATOM 1007 O GLN A 64 15.499 8.662 -1.569 1.00 0.00 O ATOM 1008 CB GLN A 64 16.054 5.427 -1.243 1.00 0.00 C ATOM 1009 CG GLN A 64 16.384 4.285 -0.295 1.00 0.00 C ATOM 1010 CD GLN A 64 15.650 3.006 -0.645 1.00 0.00 C ATOM 1011 OE1 GLN A 64 14.462 2.860 -0.357 1.00 0.00 O ATOM 1012 NE2 GLN A 64 16.356 2.070 -1.269 1.00 0.00 N ATOM 0 H GLN A 64 15.473 7.265 0.668 1.00 0.00 H new ATOM 0 HA GLN A 64 17.842 6.589 -0.978 1.00 0.00 H new ATOM 0 HB2 GLN A 64 14.977 5.595 -1.235 1.00 0.00 H new ATOM 0 HB3 GLN A 64 16.323 5.135 -2.258 1.00 0.00 H new ATOM 0 HG2 GLN A 64 17.458 4.100 -0.315 1.00 0.00 H new ATOM 0 HG3 GLN A 64 16.130 4.578 0.724 1.00 0.00 H new ATOM 0 HE21 GLN A 64 17.339 2.234 -1.488 1.00 0.00 H new ATOM 0 HE22 GLN A 64 15.916 1.188 -1.529 1.00 0.00 H new ATOM 1021 N LEU A 65 16.962 7.819 -3.057 1.00 0.00 N ATOM 1022 CA LEU A 65 16.657 8.810 -4.083 1.00 0.00 C ATOM 1023 C LEU A 65 15.351 8.473 -4.795 1.00 0.00 C ATOM 1024 O LEU A 65 14.905 7.325 -4.786 1.00 0.00 O ATOM 1025 CB LEU A 65 17.799 8.889 -5.098 1.00 0.00 C ATOM 1026 CG LEU A 65 19.074 9.584 -4.621 1.00 0.00 C ATOM 1027 CD1 LEU A 65 20.234 9.269 -5.553 1.00 0.00 C ATOM 1028 CD2 LEU A 65 18.858 11.087 -4.525 1.00 0.00 C ATOM 0 H LEU A 65 17.670 7.137 -3.327 1.00 0.00 H new ATOM 0 HA LEU A 65 16.544 9.778 -3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 65 18.055 7.875 -5.406 1.00 0.00 H new ATOM 0 HB3 LEU A 65 17.435 9.409 -5.984 1.00 0.00 H new ATOM 0 HG LEU A 65 19.320 9.208 -3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 65 21.133 9.772 -5.198 1.00 0.00 H new ATOM 0 HD12 LEU A 65 20.404 8.192 -5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 65 19.997 9.616 -6.559 1.00 0.00 H new ATOM 0 HD21 LEU A 65 19.776 11.565 -4.184 1.00 0.00 H new ATOM 0 HD22 LEU A 65 18.587 11.479 -5.505 1.00 0.00 H new ATOM 0 HD23 LEU A 65 18.056 11.295 -3.817 1.00 0.00 H new ATOM 1040 N LEU A 66 14.742 9.480 -5.411 1.00 0.00 N ATOM 1041 CA LEU A 66 13.487 9.291 -6.131 1.00 0.00 C ATOM 1042 C LEU A 66 13.675 9.531 -7.625 1.00 0.00 C ATOM 1043 O LEU A 66 14.706 10.048 -8.057 1.00 0.00 O ATOM 1044 CB LEU A 66 12.415 10.233 -5.582 1.00 0.00 C ATOM 1045 CG LEU A 66 11.563 9.685 -4.436 1.00 0.00 C ATOM 1046 CD1 LEU A 66 10.898 8.379 -4.842 1.00 0.00 C ATOM 1047 CD2 LEU A 66 12.411 9.488 -3.188 1.00 0.00 C ATOM 0 H LEU A 66 15.097 10.436 -5.427 1.00 0.00 H new ATOM 0 HA LEU A 66 13.165 8.260 -5.986 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.902 11.146 -5.241 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.751 10.512 -6.400 1.00 0.00 H new ATOM 0 HG LEU A 66 10.782 10.411 -4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.296 8.004 -4.014 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.258 8.550 -5.707 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.663 7.645 -5.096 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.788 9.098 -2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.213 8.782 -3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 66 12.839 10.443 -2.885 1.00 0.00 H new ATOM 1059 N SER A 67 12.671 9.155 -8.411 1.00 0.00 N ATOM 1060 CA SER A 67 12.725 9.328 -9.857 1.00 0.00 C ATOM 1061 C SER A 67 11.333 9.578 -10.428 1.00 0.00 C ATOM 1062 O SER A 67 10.325 9.210 -9.822 1.00 0.00 O ATOM 1063 CB SER A 67 13.345 8.094 -10.517 1.00 0.00 C ATOM 1064 OG SER A 67 13.704 8.361 -11.862 1.00 0.00 O ATOM 0 H SER A 67 11.810 8.728 -8.070 1.00 0.00 H new ATOM 0 HA SER A 67 13.347 10.197 -10.070 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.227 7.783 -9.957 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.637 7.266 -10.484 1.00 0.00 H new ATOM 0 HG SER A 67 14.099 7.558 -12.261 1.00 0.00 H new ATOM 1070 N LYS A 68 11.283 10.206 -11.597 1.00 0.00 N ATOM 1071 CA LYS A 68 10.015 10.506 -12.253 1.00 0.00 C ATOM 1072 C LYS A 68 9.774 9.563 -13.427 1.00 0.00 C ATOM 1073 O LYS A 68 10.613 8.719 -13.739 1.00 0.00 O ATOM 1074 CB LYS A 68 9.999 11.957 -12.739 1.00 0.00 C ATOM 1075 CG LYS A 68 10.866 12.198 -13.962 1.00 0.00 C ATOM 1076 CD LYS A 68 10.685 13.606 -14.505 1.00 0.00 C ATOM 1077 CE LYS A 68 11.463 13.810 -15.796 1.00 0.00 C ATOM 1078 NZ LYS A 68 10.952 14.972 -16.574 1.00 0.00 N ATOM 0 H LYS A 68 12.107 10.518 -12.111 1.00 0.00 H new ATOM 0 HA LYS A 68 9.216 10.364 -11.526 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.973 12.243 -12.969 1.00 0.00 H new ATOM 0 HB3 LYS A 68 10.337 12.606 -11.931 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.913 12.038 -13.704 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.614 11.473 -14.736 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.626 13.795 -14.683 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.017 14.330 -13.761 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.517 13.963 -15.564 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.398 12.908 -16.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.508 15.077 -17.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.953 14.815 -16.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.037 15.837 -16.003 1.00 0.00 H new ATOM 1092 N GLN A 69 8.623 9.713 -14.074 1.00 0.00 N ATOM 1093 CA GLN A 69 8.272 8.875 -15.214 1.00 0.00 C ATOM 1094 C GLN A 69 7.460 9.660 -16.238 1.00 0.00 C ATOM 1095 O GLN A 69 6.773 10.623 -15.896 1.00 0.00 O ATOM 1096 CB GLN A 69 7.482 7.650 -14.750 1.00 0.00 C ATOM 1097 CG GLN A 69 7.217 6.642 -15.856 1.00 0.00 C ATOM 1098 CD GLN A 69 6.150 5.632 -15.482 1.00 0.00 C ATOM 1099 OE1 GLN A 69 6.280 4.913 -14.490 1.00 0.00 O ATOM 1100 NE2 GLN A 69 5.087 5.572 -16.274 1.00 0.00 N ATOM 0 H GLN A 69 7.917 10.407 -13.828 1.00 0.00 H new ATOM 0 HA GLN A 69 9.197 8.544 -15.687 1.00 0.00 H new ATOM 0 HB2 GLN A 69 8.029 7.159 -13.946 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.530 7.979 -14.334 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.911 7.171 -16.759 1.00 0.00 H new ATOM 0 HG3 GLN A 69 8.142 6.117 -16.093 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.020 6.186 -17.085 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.337 4.912 -16.071 1.00 0.00 H new ATOM 1109 N LYS A 70 7.543 9.244 -17.497 1.00 0.00 N ATOM 1110 CA LYS A 70 6.815 9.907 -18.573 1.00 0.00 C ATOM 1111 C LYS A 70 6.757 9.024 -19.815 1.00 0.00 C ATOM 1112 O LYS A 70 7.705 8.300 -20.119 1.00 0.00 O ATOM 1113 CB LYS A 70 7.477 11.244 -18.915 1.00 0.00 C ATOM 1114 CG LYS A 70 6.551 12.217 -19.625 1.00 0.00 C ATOM 1115 CD LYS A 70 6.624 12.054 -21.134 1.00 0.00 C ATOM 1116 CE LYS A 70 6.018 13.250 -21.853 1.00 0.00 C ATOM 1117 NZ LYS A 70 4.544 13.326 -21.658 1.00 0.00 N ATOM 0 H LYS A 70 8.108 8.450 -17.798 1.00 0.00 H new ATOM 0 HA LYS A 70 5.796 10.089 -18.231 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.840 11.705 -17.997 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.347 11.059 -19.544 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.526 12.056 -19.290 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.818 13.239 -19.355 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.664 11.934 -21.438 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.098 11.146 -21.429 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.480 14.166 -21.487 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.240 13.184 -22.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.142 14.022 -22.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.121 12.393 -21.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.338 13.616 -20.681 1.00 0.00 H new ATOM 1131 N TYR A 71 5.640 9.091 -20.531 1.00 0.00 N ATOM 1132 CA TYR A 71 5.458 8.297 -21.740 1.00 0.00 C ATOM 1133 C TYR A 71 4.582 9.034 -22.749 1.00 0.00 C ATOM 1134 O TYR A 71 4.053 10.107 -22.461 1.00 0.00 O ATOM 1135 CB TYR A 71 4.833 6.944 -21.397 1.00 0.00 C ATOM 1136 CG TYR A 71 3.642 7.044 -20.471 1.00 0.00 C ATOM 1137 CD1 TYR A 71 3.810 7.314 -19.118 1.00 0.00 C ATOM 1138 CD2 TYR A 71 2.349 6.868 -20.948 1.00 0.00 C ATOM 1139 CE1 TYR A 71 2.725 7.406 -18.268 1.00 0.00 C ATOM 1140 CE2 TYR A 71 1.258 6.960 -20.106 1.00 0.00 C ATOM 1141 CZ TYR A 71 1.451 7.228 -18.767 1.00 0.00 C ATOM 1142 OH TYR A 71 0.367 7.319 -17.924 1.00 0.00 O ATOM 0 H TYR A 71 4.847 9.687 -20.295 1.00 0.00 H new ATOM 0 HA TYR A 71 6.438 8.134 -22.188 1.00 0.00 H new ATOM 0 HB2 TYR A 71 4.525 6.451 -22.319 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.590 6.310 -20.935 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.806 7.454 -18.724 1.00 0.00 H new ATOM 0 HD2 TYR A 71 2.194 6.656 -21.996 1.00 0.00 H new ATOM 0 HE1 TYR A 71 2.873 7.616 -17.219 1.00 0.00 H new ATOM 0 HE2 TYR A 71 0.259 6.823 -20.494 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.457 7.169 -18.433 1.00 0.00 H new ATOM 1152 N ALA A 72 4.433 8.447 -23.932 1.00 0.00 N ATOM 1153 CA ALA A 72 3.619 9.045 -24.984 1.00 0.00 C ATOM 1154 C ALA A 72 2.829 7.981 -25.738 1.00 0.00 C ATOM 1155 O ALA A 72 2.974 6.787 -25.479 1.00 0.00 O ATOM 1156 CB ALA A 72 4.496 9.835 -25.944 1.00 0.00 C ATOM 0 H ALA A 72 4.865 7.559 -24.186 1.00 0.00 H new ATOM 0 HA ALA A 72 2.907 9.725 -24.517 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.876 10.276 -26.724 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.011 10.626 -25.399 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.231 9.169 -26.397 1.00 0.00 H new ATOM 1162 N ASP A 73 1.993 8.423 -26.671 1.00 0.00 N ATOM 1163 CA ASP A 73 1.180 7.508 -27.464 1.00 0.00 C ATOM 1164 C ASP A 73 1.559 7.584 -28.940 1.00 0.00 C ATOM 1165 O ASP A 73 2.087 6.627 -29.505 1.00 0.00 O ATOM 1166 CB ASP A 73 -0.305 7.830 -27.289 1.00 0.00 C ATOM 1167 CG ASP A 73 -1.201 6.826 -27.986 1.00 0.00 C ATOM 1168 OD1 ASP A 73 -1.135 5.629 -27.636 1.00 0.00 O ATOM 1169 OD2 ASP A 73 -1.968 7.236 -28.883 1.00 0.00 O ATOM 0 H ASP A 73 1.860 9.409 -26.897 1.00 0.00 H new ATOM 0 HA ASP A 73 1.368 6.494 -27.111 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.546 7.852 -26.226 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.506 8.827 -27.682 1.00 0.00 H new ATOM 1174 N GLY A 74 1.284 8.728 -29.559 1.00 0.00 N ATOM 1175 CA GLY A 74 1.601 8.907 -30.963 1.00 0.00 C ATOM 1176 C GLY A 74 0.431 9.454 -31.757 1.00 0.00 C ATOM 1177 O GLY A 74 -0.462 10.090 -31.199 1.00 0.00 O ATOM 0 H GLY A 74 0.847 9.534 -29.112 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.449 9.586 -31.057 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.909 7.951 -31.387 1.00 0.00 H new ATOM 1181 N ALA A 75 0.438 9.208 -33.063 1.00 0.00 N ATOM 1182 CA ALA A 75 -0.631 9.681 -33.935 1.00 0.00 C ATOM 1183 C ALA A 75 -0.460 9.145 -35.352 1.00 0.00 C ATOM 1184 O ALA A 75 0.540 8.501 -35.667 1.00 0.00 O ATOM 1185 CB ALA A 75 -0.670 11.202 -33.944 1.00 0.00 C ATOM 0 H ALA A 75 1.171 8.684 -33.541 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.578 9.307 -33.545 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.472 11.542 -34.599 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.848 11.567 -32.933 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.282 11.588 -34.307 1.00 0.00 H new ATOM 1191 N PHE A 76 -1.444 9.415 -36.204 1.00 0.00 N ATOM 1192 CA PHE A 76 -1.404 8.958 -37.588 1.00 0.00 C ATOM 1193 C PHE A 76 -2.394 9.738 -38.447 1.00 0.00 C ATOM 1194 O PHE A 76 -3.191 10.525 -37.936 1.00 0.00 O ATOM 1195 CB PHE A 76 -1.714 7.462 -37.663 1.00 0.00 C ATOM 1196 CG PHE A 76 -0.515 6.589 -37.429 1.00 0.00 C ATOM 1197 CD1 PHE A 76 0.610 6.704 -38.230 1.00 0.00 C ATOM 1198 CD2 PHE A 76 -0.512 5.652 -36.407 1.00 0.00 C ATOM 1199 CE1 PHE A 76 1.714 5.901 -38.017 1.00 0.00 C ATOM 1200 CE2 PHE A 76 0.590 4.847 -36.189 1.00 0.00 C ATOM 1201 CZ PHE A 76 1.705 4.972 -36.995 1.00 0.00 C ATOM 0 H PHE A 76 -2.279 9.948 -35.960 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.399 9.133 -37.973 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -2.479 7.220 -36.925 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.133 7.235 -38.643 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.624 7.430 -39.030 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.381 5.550 -35.774 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.584 6.000 -38.650 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.580 4.121 -35.389 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.568 4.345 -36.826 1.00 0.00 H new ATOM 1211 N ALA A 77 -2.338 9.515 -39.756 1.00 0.00 N ATOM 1212 CA ALA A 77 -3.230 10.195 -40.687 1.00 0.00 C ATOM 1213 C ALA A 77 -3.134 9.587 -42.082 1.00 0.00 C ATOM 1214 O ALA A 77 -2.277 8.743 -42.345 1.00 0.00 O ATOM 1215 CB ALA A 77 -2.911 11.681 -40.733 1.00 0.00 C ATOM 0 H ALA A 77 -1.684 8.868 -40.196 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.253 10.065 -40.333 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.585 12.176 -41.432 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.038 12.111 -39.740 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.881 11.822 -41.060 1.00 0.00 H new ATOM 1221 N ASP A 78 -4.018 10.021 -42.973 1.00 0.00 N ATOM 1222 CA ASP A 78 -4.033 9.520 -44.343 1.00 0.00 C ATOM 1223 C ASP A 78 -4.673 10.534 -45.286 1.00 0.00 C ATOM 1224 O ASP A 78 -5.269 11.518 -44.845 1.00 0.00 O ATOM 1225 CB ASP A 78 -4.787 8.192 -44.415 1.00 0.00 C ATOM 1226 CG ASP A 78 -4.619 7.503 -45.754 1.00 0.00 C ATOM 1227 OD1 ASP A 78 -3.575 6.850 -45.959 1.00 0.00 O ATOM 1228 OD2 ASP A 78 -5.532 7.617 -46.599 1.00 0.00 O ATOM 0 H ASP A 78 -4.734 10.719 -42.772 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.001 9.361 -44.656 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.432 7.532 -43.623 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.847 8.369 -44.231 1.00 0.00 H new ATOM 1233 N PHE A 79 -4.546 10.289 -46.585 1.00 0.00 N ATOM 1234 CA PHE A 79 -5.111 11.182 -47.591 1.00 0.00 C ATOM 1235 C PHE A 79 -5.669 10.389 -48.769 1.00 0.00 C ATOM 1236 O PHE A 79 -5.523 9.169 -48.837 1.00 0.00 O ATOM 1237 CB PHE A 79 -4.049 12.167 -48.082 1.00 0.00 C ATOM 1238 CG PHE A 79 -3.764 13.276 -47.110 1.00 0.00 C ATOM 1239 CD1 PHE A 79 -2.867 13.090 -46.070 1.00 0.00 C ATOM 1240 CD2 PHE A 79 -4.394 14.504 -47.235 1.00 0.00 C ATOM 1241 CE1 PHE A 79 -2.603 14.109 -45.173 1.00 0.00 C ATOM 1242 CE2 PHE A 79 -4.133 15.526 -46.342 1.00 0.00 C ATOM 1243 CZ PHE A 79 -3.238 15.328 -45.309 1.00 0.00 C ATOM 0 H PHE A 79 -4.057 9.479 -46.967 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.928 11.738 -47.131 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -3.126 11.623 -48.282 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.375 12.599 -49.028 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.368 12.138 -45.959 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.097 14.664 -48.039 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -1.901 13.952 -44.367 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.629 16.479 -46.452 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.035 16.125 -44.609 1.00 0.00 H new ATOM 1253 N LYS A 80 -6.311 11.093 -49.696 1.00 0.00 N ATOM 1254 CA LYS A 80 -6.892 10.458 -50.873 1.00 0.00 C ATOM 1255 C LYS A 80 -6.671 11.312 -52.117 1.00 0.00 C ATOM 1256 O LYS A 80 -6.531 12.531 -52.026 1.00 0.00 O ATOM 1257 CB LYS A 80 -8.390 10.221 -50.663 1.00 0.00 C ATOM 1258 CG LYS A 80 -8.945 9.072 -51.487 1.00 0.00 C ATOM 1259 CD LYS A 80 -10.400 9.305 -51.860 1.00 0.00 C ATOM 1260 CE LYS A 80 -10.532 10.343 -52.964 1.00 0.00 C ATOM 1261 NZ LYS A 80 -11.956 10.685 -53.235 1.00 0.00 N ATOM 0 H LYS A 80 -6.442 12.104 -49.655 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.396 9.499 -51.020 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.573 10.022 -49.607 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -8.932 11.133 -50.914 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.351 8.953 -52.393 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.857 8.143 -50.923 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.848 8.366 -52.186 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.954 9.634 -50.981 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -9.989 11.245 -52.681 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -10.069 9.965 -53.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -12.004 11.395 -53.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.469 9.829 -53.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.391 11.070 -52.372 1.00 0.00 H new ATOM 1275 N GLN A 81 -6.644 10.664 -53.277 1.00 0.00 N ATOM 1276 CA GLN A 81 -6.441 11.366 -54.539 1.00 0.00 C ATOM 1277 C GLN A 81 -7.308 10.766 -55.641 1.00 0.00 C ATOM 1278 O GLN A 81 -7.643 9.583 -55.604 1.00 0.00 O ATOM 1279 CB GLN A 81 -4.967 11.312 -54.946 1.00 0.00 C ATOM 1280 CG GLN A 81 -4.589 12.337 -56.002 1.00 0.00 C ATOM 1281 CD GLN A 81 -4.628 13.758 -55.476 1.00 0.00 C ATOM 1282 OE1 GLN A 81 -5.699 14.305 -55.211 1.00 0.00 O ATOM 1283 NE2 GLN A 81 -3.457 14.365 -55.322 1.00 0.00 N ATOM 0 H GLN A 81 -6.760 9.655 -53.369 1.00 0.00 H new ATOM 0 HA GLN A 81 -6.733 12.407 -54.398 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -4.349 11.469 -54.062 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.739 10.315 -55.322 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.588 12.118 -56.373 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.269 12.248 -56.849 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.594 13.874 -55.554 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.421 15.322 -54.972 1.00 0.00 H new ATOM 1292 N GLU A 82 -7.666 11.591 -56.620 1.00 0.00 N ATOM 1293 CA GLU A 82 -8.495 11.141 -57.732 1.00 0.00 C ATOM 1294 C GLU A 82 -7.841 11.476 -59.069 1.00 0.00 C ATOM 1295 O GLU A 82 -6.822 12.166 -59.118 1.00 0.00 O ATOM 1296 CB GLU A 82 -9.882 11.783 -57.656 1.00 0.00 C ATOM 1297 CG GLU A 82 -9.855 13.300 -57.720 1.00 0.00 C ATOM 1298 CD GLU A 82 -11.237 13.902 -57.885 1.00 0.00 C ATOM 1299 OE1 GLU A 82 -12.132 13.201 -58.401 1.00 0.00 O ATOM 1300 OE2 GLU A 82 -11.423 15.075 -57.498 1.00 0.00 O ATOM 0 H GLU A 82 -7.395 12.573 -56.666 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.599 10.058 -57.659 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.494 11.404 -58.475 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.365 11.476 -56.729 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.399 13.690 -56.810 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.225 13.614 -58.552 1.00 0.00 H new ATOM 1307 N SER A 83 -8.433 10.982 -60.152 1.00 0.00 N ATOM 1308 CA SER A 83 -7.906 11.224 -61.489 1.00 0.00 C ATOM 1309 C SER A 83 -8.859 10.689 -62.554 1.00 0.00 C ATOM 1310 O SER A 83 -9.560 9.702 -62.336 1.00 0.00 O ATOM 1311 CB SER A 83 -6.531 10.572 -61.645 1.00 0.00 C ATOM 1312 OG SER A 83 -5.997 10.808 -62.936 1.00 0.00 O ATOM 0 H SER A 83 -9.278 10.412 -60.129 1.00 0.00 H new ATOM 0 HA SER A 83 -7.806 12.301 -61.623 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.851 10.965 -60.889 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.613 9.499 -61.473 1.00 0.00 H new ATOM 0 HG SER A 83 -5.117 10.382 -63.009 1.00 0.00 H new ATOM 1318 N GLY A 84 -8.878 11.348 -63.708 1.00 0.00 N ATOM 1319 CA GLY A 84 -9.747 10.925 -64.790 1.00 0.00 C ATOM 1320 C GLY A 84 -9.286 11.439 -66.140 1.00 0.00 C ATOM 1321 O GLY A 84 -9.922 12.297 -66.752 1.00 0.00 O ATOM 0 H GLY A 84 -8.307 12.168 -63.913 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.788 9.836 -64.814 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.760 11.278 -64.597 1.00 0.00 H new ATOM 1325 N PRO A 85 -8.152 10.909 -66.623 1.00 0.00 N ATOM 1326 CA PRO A 85 -7.580 11.306 -67.913 1.00 0.00 C ATOM 1327 C PRO A 85 -8.421 10.828 -69.092 1.00 0.00 C ATOM 1328 O PRO A 85 -9.394 10.094 -68.915 1.00 0.00 O ATOM 1329 CB PRO A 85 -6.212 10.621 -67.920 1.00 0.00 C ATOM 1330 CG PRO A 85 -6.369 9.452 -67.010 1.00 0.00 C ATOM 1331 CD PRO A 85 -7.342 9.882 -65.947 1.00 0.00 C ATOM 0 HA PRO A 85 -7.530 12.390 -68.020 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -5.932 10.305 -68.925 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.430 11.294 -67.568 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -6.742 8.583 -67.552 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -5.412 9.168 -66.571 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -7.955 9.049 -65.602 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -6.830 10.285 -65.073 1.00 0.00 H new ATOM 1339 N SER A 86 -8.041 11.248 -70.294 1.00 0.00 N ATOM 1340 CA SER A 86 -8.763 10.866 -71.502 1.00 0.00 C ATOM 1341 C SER A 86 -7.794 10.465 -72.610 1.00 0.00 C ATOM 1342 O SER A 86 -6.828 11.175 -72.892 1.00 0.00 O ATOM 1343 CB SER A 86 -9.651 12.017 -71.977 1.00 0.00 C ATOM 1344 OG SER A 86 -10.602 11.569 -72.927 1.00 0.00 O ATOM 0 H SER A 86 -7.237 11.853 -70.458 1.00 0.00 H new ATOM 0 HA SER A 86 -9.391 10.007 -71.264 1.00 0.00 H new ATOM 0 HB2 SER A 86 -10.165 12.460 -71.124 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.033 12.799 -72.418 1.00 0.00 H new ATOM 0 HG SER A 86 -11.158 12.323 -73.214 1.00 0.00 H new ATOM 1350 N SER A 87 -8.058 9.322 -73.234 1.00 0.00 N ATOM 1351 CA SER A 87 -7.208 8.824 -74.309 1.00 0.00 C ATOM 1352 C SER A 87 -7.718 9.295 -75.668 1.00 0.00 C ATOM 1353 O SER A 87 -7.044 10.049 -76.369 1.00 0.00 O ATOM 1354 CB SER A 87 -7.151 7.295 -74.276 1.00 0.00 C ATOM 1355 OG SER A 87 -6.201 6.841 -73.328 1.00 0.00 O ATOM 0 H SER A 87 -8.854 8.723 -73.014 1.00 0.00 H new ATOM 0 HA SER A 87 -6.204 9.222 -74.159 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.135 6.896 -74.029 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.893 6.916 -75.265 1.00 0.00 H new ATOM 0 HG SER A 87 -6.185 5.861 -73.325 1.00 0.00 H new ATOM 1361 N GLY A 88 -8.914 8.845 -76.033 1.00 0.00 N ATOM 1362 CA GLY A 88 -9.495 9.230 -77.306 1.00 0.00 C ATOM 1363 C GLY A 88 -8.664 8.767 -78.486 1.00 0.00 C ATOM 1364 O GLY A 88 -9.017 7.768 -79.112 1.00 0.00 O ATOM 0 H GLY A 88 -9.491 8.221 -75.470 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -10.498 8.811 -77.385 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.598 10.314 -77.342 1.00 0.00 H new TER 1368 GLY A 88 HETATM 1369 ZN ZN A 201 1.956 -5.170 3.600 1.00 0.00 ZN