USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 917 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 LYS NZ :NH3+ 143:sc= 1.19 (180deg=0) USER MOD Set 1.2: A 37 GLN : amide:sc= -1.39 K(o=-0.21,f=-3.3) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 158:sc= -0.182 (180deg=-0.753) USER MOD Single : A 15 CYS SG : rot 43:sc= 0.286 USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -165:sc= 0.989 (180deg=0.798) USER MOD Single : A 22 ASN : amide:sc=-0.00417 X(o=-0.0042,f=-0.31) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -1.25! C(o=-1.2!,f=-5.2!) USER MOD Single : A 29 HIS : no HD1:sc= -2.13 X(o=-2.1,f=-2.3!) USER MOD Single : A 32 LYS NZ :NH3+ 168:sc= -0.0176 (180deg=-0.183) USER MOD Single : A 38 TYR OH : rot 30:sc= -0.146 USER MOD Single : A 46 SER OG : rot -95:sc= 1.31 USER MOD Single : A 50 LYS NZ :NH3+ -113:sc= 0.394 (180deg=-0.0702) USER MOD Single : A 63 ASN : amide:sc= 0.35 K(o=0.35,f=-4.9!) USER MOD Single : A 66 ASN : amide:sc= -0.615 K(o=-0.62,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 166:sc= -0.0302 (180deg=-0.221) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.449 USER MOD Single : A 72 HIS : no HD1:sc= -0.469 X(o=-0.47,f=-0.075) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.0041) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 69:sc= 1.25 USER MOD Single : A 98 GLN : amide:sc= -0.0503 K(o=-0.05,f=-1.3) USER MOD Single : A 100 GLN : amide:sc= 0.976 K(o=0.98,f=-1.1) USER MOD Single : A 101 LYS NZ :NH3+ -147:sc= 1.25 (180deg=-0.713) USER MOD Single : A 105 GLN : amide:sc= -0.913 K(o=-0.91,f=-0.062) USER MOD Single : A 114 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.53) USER MOD Single : A 119 GLN : amide:sc= -1.57 X(o=-1.6,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 4 -12.075 -26.121 -3.177 1.00 0.00 N ATOM 2 CA GLY A 4 -11.597 -25.871 -1.797 1.00 0.00 C ATOM 3 C GLY A 4 -11.582 -24.396 -1.463 1.00 0.00 C ATOM 4 O GLY A 4 -12.532 -23.672 -1.771 1.00 0.00 O ATOM 0 HA2 GLY A 4 -12.239 -26.397 -1.090 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.593 -26.280 -1.681 1.00 0.00 H new ATOM 10 N ILE A 5 -10.508 -23.947 -0.836 1.00 0.00 N ATOM 11 CA ILE A 5 -10.358 -22.544 -0.483 1.00 0.00 C ATOM 12 C ILE A 5 -9.077 -21.988 -1.093 1.00 0.00 C ATOM 13 O ILE A 5 -8.067 -22.689 -1.177 1.00 0.00 O ATOM 14 CB ILE A 5 -10.318 -22.338 1.050 1.00 0.00 C ATOM 15 CG1 ILE A 5 -11.567 -22.930 1.707 1.00 0.00 C ATOM 16 CG2 ILE A 5 -10.190 -20.857 1.396 1.00 0.00 C ATOM 17 CD1 ILE A 5 -11.601 -22.754 3.209 1.00 0.00 C ATOM 0 H ILE A 5 -9.723 -24.537 -0.559 1.00 0.00 H new ATOM 0 HA ILE A 5 -11.225 -22.014 -0.878 1.00 0.00 H new ATOM 0 HB ILE A 5 -9.442 -22.858 1.437 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -12.451 -22.462 1.274 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -11.622 -23.993 1.473 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -10.164 -20.737 2.479 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -9.271 -20.461 0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.044 -20.314 0.991 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -12.514 -23.197 3.607 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -10.735 -23.246 3.653 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -11.578 -21.692 3.451 1.00 0.00 H new ATOM 29 N ASP A 6 -9.129 -20.740 -1.529 1.00 0.00 N ATOM 30 CA ASP A 6 -7.952 -20.065 -2.055 1.00 0.00 C ATOM 31 C ASP A 6 -7.195 -19.418 -0.903 1.00 0.00 C ATOM 32 O ASP A 6 -7.735 -18.564 -0.198 1.00 0.00 O ATOM 33 CB ASP A 6 -8.365 -19.008 -3.076 1.00 0.00 C ATOM 34 CG ASP A 6 -7.214 -18.528 -3.938 1.00 0.00 C ATOM 35 OD1 ASP A 6 -6.233 -19.282 -4.108 1.00 0.00 O ATOM 36 OD2 ASP A 6 -7.303 -17.402 -4.473 1.00 0.00 O ATOM 0 H ASP A 6 -9.976 -20.172 -1.529 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.307 -20.789 -2.553 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.145 -19.418 -3.718 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.798 -18.156 -2.552 1.00 0.00 H new ATOM 41 N PRO A 7 -5.939 -19.836 -0.688 1.00 0.00 N ATOM 42 CA PRO A 7 -5.135 -19.392 0.451 1.00 0.00 C ATOM 43 C PRO A 7 -4.854 -17.898 0.411 1.00 0.00 C ATOM 44 O PRO A 7 -4.679 -17.264 1.447 1.00 0.00 O ATOM 45 CB PRO A 7 -3.834 -20.191 0.321 1.00 0.00 C ATOM 46 CG PRO A 7 -3.784 -20.635 -1.099 1.00 0.00 C ATOM 47 CD PRO A 7 -5.211 -20.771 -1.550 1.00 0.00 C ATOM 0 HA PRO A 7 -5.650 -19.560 1.397 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.969 -19.577 0.571 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -3.827 -21.044 1.000 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -3.249 -19.911 -1.714 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.255 -21.584 -1.191 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.324 -20.515 -2.603 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.573 -21.792 -1.429 1.00 0.00 H new ATOM 55 N PHE A 8 -4.826 -17.348 -0.795 1.00 0.00 N ATOM 56 CA PHE A 8 -4.635 -15.922 -0.996 1.00 0.00 C ATOM 57 C PHE A 8 -5.133 -15.538 -2.367 1.00 0.00 C ATOM 58 O PHE A 8 -4.886 -16.236 -3.348 1.00 0.00 O ATOM 59 CB PHE A 8 -3.175 -15.513 -0.831 1.00 0.00 C ATOM 60 CG PHE A 8 -2.950 -14.614 0.349 1.00 0.00 C ATOM 61 CD1 PHE A 8 -3.124 -13.247 0.234 1.00 0.00 C ATOM 62 CD2 PHE A 8 -2.581 -15.137 1.576 1.00 0.00 C ATOM 63 CE1 PHE A 8 -2.933 -12.417 1.320 1.00 0.00 C ATOM 64 CE2 PHE A 8 -2.387 -14.313 2.664 1.00 0.00 C ATOM 65 CZ PHE A 8 -2.563 -12.951 2.537 1.00 0.00 C ATOM 0 H PHE A 8 -4.935 -17.879 -1.659 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.206 -15.393 -0.233 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.562 -16.408 -0.721 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.840 -15.006 -1.736 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.413 -12.824 -0.717 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.443 -16.203 1.682 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.073 -11.351 1.217 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.097 -14.734 3.616 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.412 -12.304 3.388 1.00 0.00 H new ATOM 75 N THR A 9 -5.800 -14.413 -2.428 1.00 0.00 N ATOM 76 CA THR A 9 -6.559 -14.038 -3.595 1.00 0.00 C ATOM 77 C THR A 9 -6.339 -12.569 -3.924 1.00 0.00 C ATOM 78 O THR A 9 -6.695 -11.693 -3.142 1.00 0.00 O ATOM 79 CB THR A 9 -8.060 -14.334 -3.363 1.00 0.00 C ATOM 80 OG1 THR A 9 -8.862 -13.765 -4.407 1.00 0.00 O ATOM 81 CG2 THR A 9 -8.517 -13.822 -2.000 1.00 0.00 C ATOM 0 H THR A 9 -5.832 -13.731 -1.670 1.00 0.00 H new ATOM 0 HA THR A 9 -6.217 -14.627 -4.446 1.00 0.00 H new ATOM 0 HB THR A 9 -8.190 -15.416 -3.381 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.807 -13.966 -4.240 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.576 -14.044 -1.864 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.940 -14.312 -1.215 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.362 -12.744 -1.945 1.00 0.00 H new ATOM 89 N MET A 10 -5.701 -12.321 -5.066 1.00 0.00 N ATOM 90 CA MET A 10 -5.419 -10.964 -5.529 1.00 0.00 C ATOM 91 C MET A 10 -4.675 -10.198 -4.446 1.00 0.00 C ATOM 92 O MET A 10 -5.118 -9.147 -3.979 1.00 0.00 O ATOM 93 CB MET A 10 -6.709 -10.244 -5.934 1.00 0.00 C ATOM 94 CG MET A 10 -7.486 -10.974 -7.019 1.00 0.00 C ATOM 95 SD MET A 10 -8.920 -10.050 -7.603 1.00 0.00 S ATOM 96 CE MET A 10 -8.119 -8.625 -8.335 1.00 0.00 C ATOM 0 H MET A 10 -5.366 -13.052 -5.694 1.00 0.00 H new ATOM 0 HA MET A 10 -4.786 -11.016 -6.415 1.00 0.00 H new ATOM 0 HB2 MET A 10 -7.344 -10.129 -5.056 1.00 0.00 H new ATOM 0 HB3 MET A 10 -6.464 -9.241 -6.284 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.823 -11.174 -7.860 1.00 0.00 H new ATOM 0 HG3 MET A 10 -7.815 -11.940 -6.635 1.00 0.00 H new ATOM 0 HE1 MET A 10 -8.788 -8.165 -9.062 1.00 0.00 H new ATOM 0 HE2 MET A 10 -7.878 -7.902 -7.555 1.00 0.00 H new ATOM 0 HE3 MET A 10 -7.202 -8.939 -8.834 1.00 0.00 H new ATOM 106 N LEU A 11 -3.543 -10.767 -4.052 1.00 0.00 N ATOM 107 CA LEU A 11 -2.750 -10.273 -2.934 1.00 0.00 C ATOM 108 C LEU A 11 -2.187 -8.876 -3.192 1.00 0.00 C ATOM 109 O LEU A 11 -2.109 -8.423 -4.336 1.00 0.00 O ATOM 110 CB LEU A 11 -1.607 -11.250 -2.631 1.00 0.00 C ATOM 111 CG LEU A 11 -0.689 -11.566 -3.801 1.00 0.00 C ATOM 112 CD1 LEU A 11 0.716 -11.844 -3.301 1.00 0.00 C ATOM 113 CD2 LEU A 11 -1.220 -12.761 -4.578 1.00 0.00 C ATOM 0 H LEU A 11 -3.146 -11.591 -4.503 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.414 -10.201 -2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.005 -10.838 -1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.037 -12.183 -2.267 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.659 -10.704 -4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.365 -12.069 -4.147 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.095 -10.968 -2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.698 -12.695 -2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.554 -12.977 -5.413 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.271 -13.629 -3.921 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.216 -12.534 -4.958 1.00 0.00 H new ATOM 125 N PRO A 12 -1.778 -8.183 -2.111 1.00 0.00 N ATOM 126 CA PRO A 12 -1.170 -6.848 -2.185 1.00 0.00 C ATOM 127 C PRO A 12 0.107 -6.836 -3.018 1.00 0.00 C ATOM 128 O PRO A 12 0.703 -7.882 -3.284 1.00 0.00 O ATOM 129 CB PRO A 12 -0.852 -6.513 -0.725 1.00 0.00 C ATOM 130 CG PRO A 12 -0.845 -7.826 -0.029 1.00 0.00 C ATOM 131 CD PRO A 12 -1.883 -8.645 -0.721 1.00 0.00 C ATOM 0 HA PRO A 12 -1.834 -6.130 -2.666 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.112 -6.012 -0.635 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.600 -5.844 -0.300 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.135 -8.299 -0.092 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.076 -7.711 1.030 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.683 -9.713 -0.632 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.877 -8.472 -0.310 1.00 0.00 H new ATOM 139 N ARG A 13 0.538 -5.647 -3.405 1.00 0.00 N ATOM 140 CA ARG A 13 1.647 -5.504 -4.336 1.00 0.00 C ATOM 141 C ARG A 13 2.579 -4.396 -3.867 1.00 0.00 C ATOM 142 O ARG A 13 2.115 -3.357 -3.386 1.00 0.00 O ATOM 143 CB ARG A 13 1.126 -5.158 -5.740 1.00 0.00 C ATOM 144 CG ARG A 13 -0.018 -6.040 -6.229 1.00 0.00 C ATOM 145 CD ARG A 13 0.416 -7.483 -6.443 1.00 0.00 C ATOM 146 NE ARG A 13 1.346 -7.619 -7.562 1.00 0.00 N ATOM 147 CZ ARG A 13 2.117 -8.687 -7.758 1.00 0.00 C ATOM 148 NH1 ARG A 13 2.094 -9.692 -6.888 1.00 0.00 N ATOM 149 NH2 ARG A 13 2.909 -8.754 -8.823 1.00 0.00 N ATOM 0 H ARG A 13 0.136 -4.764 -3.089 1.00 0.00 H new ATOM 0 HA ARG A 13 2.188 -6.450 -4.374 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.794 -4.120 -5.744 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.952 -5.231 -6.448 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.831 -6.011 -5.504 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.410 -5.638 -7.164 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.887 -7.858 -5.534 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.463 -8.102 -6.626 1.00 0.00 H new ATOM 0 HE ARG A 13 1.408 -6.852 -8.231 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.486 -9.645 -6.070 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.684 -10.510 -7.038 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.928 -7.986 -9.494 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.498 -9.574 -8.970 1.00 0.00 H new ATOM 163 N LEU A 14 3.884 -4.611 -3.994 1.00 0.00 N ATOM 164 CA LEU A 14 4.837 -3.550 -3.724 1.00 0.00 C ATOM 165 C LEU A 14 4.977 -2.716 -4.978 1.00 0.00 C ATOM 166 O LEU A 14 5.595 -3.134 -5.958 1.00 0.00 O ATOM 167 CB LEU A 14 6.200 -4.109 -3.295 1.00 0.00 C ATOM 168 CG LEU A 14 7.236 -3.048 -2.895 1.00 0.00 C ATOM 169 CD1 LEU A 14 6.792 -2.283 -1.651 1.00 0.00 C ATOM 170 CD2 LEU A 14 8.596 -3.687 -2.664 1.00 0.00 C ATOM 0 H LEU A 14 4.298 -5.499 -4.278 1.00 0.00 H new ATOM 0 HA LEU A 14 4.473 -2.939 -2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.051 -4.786 -2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.607 -4.703 -4.113 1.00 0.00 H new ATOM 0 HG LEU A 14 7.318 -2.338 -3.718 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.546 -1.539 -1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.843 -1.784 -1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.669 -2.978 -0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.316 -2.919 -2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.520 -4.425 -1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.928 -4.176 -3.579 1.00 0.00 H new ATOM 182 N CYS A 15 4.378 -1.549 -4.945 1.00 0.00 N ATOM 183 CA CYS A 15 4.294 -0.704 -6.111 1.00 0.00 C ATOM 184 C CYS A 15 5.425 0.308 -6.104 1.00 0.00 C ATOM 185 O CYS A 15 5.443 1.234 -5.292 1.00 0.00 O ATOM 186 CB CYS A 15 2.940 -0.001 -6.123 1.00 0.00 C ATOM 187 SG CYS A 15 1.537 -1.119 -5.877 1.00 0.00 S ATOM 0 H CYS A 15 3.937 -1.160 -4.112 1.00 0.00 H new ATOM 0 HA CYS A 15 4.388 -1.310 -7.012 1.00 0.00 H new ATOM 0 HB2 CYS A 15 2.928 0.759 -5.342 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.818 0.517 -7.074 1.00 0.00 H new ATOM 0 HG CYS A 15 1.818 -1.967 -4.932 1.00 0.00 H new ATOM 193 N CYS A 16 6.380 0.117 -6.990 1.00 0.00 N ATOM 194 CA CYS A 16 7.485 1.042 -7.105 1.00 0.00 C ATOM 195 C CYS A 16 7.166 2.089 -8.157 1.00 0.00 C ATOM 196 O CYS A 16 7.092 1.785 -9.349 1.00 0.00 O ATOM 197 CB CYS A 16 8.767 0.297 -7.476 1.00 0.00 C ATOM 198 SG CYS A 16 9.180 -1.059 -6.357 1.00 0.00 S ATOM 0 H CYS A 16 6.412 -0.669 -7.639 1.00 0.00 H new ATOM 0 HA CYS A 16 7.637 1.533 -6.144 1.00 0.00 H new ATOM 0 HB2 CYS A 16 8.666 -0.098 -8.487 1.00 0.00 H new ATOM 0 HB3 CYS A 16 9.595 1.006 -7.492 1.00 0.00 H new ATOM 0 HG CYS A 16 10.278 -1.630 -6.754 1.00 0.00 H new ATOM 204 N LEU A 17 6.962 3.315 -7.713 1.00 0.00 N ATOM 205 CA LEU A 17 6.699 4.411 -8.624 1.00 0.00 C ATOM 206 C LEU A 17 7.834 5.411 -8.563 1.00 0.00 C ATOM 207 O LEU A 17 8.466 5.595 -7.520 1.00 0.00 O ATOM 208 CB LEU A 17 5.344 5.093 -8.361 1.00 0.00 C ATOM 209 CG LEU A 17 5.017 5.472 -6.913 1.00 0.00 C ATOM 210 CD1 LEU A 17 3.934 6.533 -6.896 1.00 0.00 C ATOM 211 CD2 LEU A 17 4.549 4.260 -6.119 1.00 0.00 C ATOM 0 H LEU A 17 6.974 3.576 -6.727 1.00 0.00 H new ATOM 0 HA LEU A 17 6.638 3.995 -9.630 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.300 5.999 -8.965 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.557 4.431 -8.722 1.00 0.00 H new ATOM 0 HG LEU A 17 5.925 5.858 -6.450 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.703 6.801 -5.865 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.282 7.417 -7.431 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.037 6.145 -7.380 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.324 4.560 -5.095 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.652 3.846 -6.581 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.335 3.504 -6.111 1.00 0.00 H new ATOM 223 N GLU A 18 8.074 6.057 -9.684 1.00 0.00 N ATOM 224 CA GLU A 18 9.267 6.854 -9.867 1.00 0.00 C ATOM 225 C GLU A 18 8.891 8.294 -10.137 1.00 0.00 C ATOM 226 O GLU A 18 8.083 8.580 -11.016 1.00 0.00 O ATOM 227 CB GLU A 18 10.096 6.277 -11.014 1.00 0.00 C ATOM 228 CG GLU A 18 10.476 4.824 -10.784 1.00 0.00 C ATOM 229 CD GLU A 18 11.054 4.155 -12.009 1.00 0.00 C ATOM 230 OE1 GLU A 18 10.268 3.734 -12.885 1.00 0.00 O ATOM 231 OE2 GLU A 18 12.292 4.020 -12.089 1.00 0.00 O ATOM 0 H GLU A 18 7.450 6.045 -10.491 1.00 0.00 H new ATOM 0 HA GLU A 18 9.868 6.827 -8.958 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.532 6.359 -11.943 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.002 6.871 -11.138 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.202 4.770 -9.973 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.594 4.272 -10.460 1.00 0.00 H new ATOM 238 N LYS A 19 9.483 9.185 -9.370 1.00 0.00 N ATOM 239 CA LYS A 19 9.118 10.588 -9.390 1.00 0.00 C ATOM 240 C LYS A 19 9.445 11.225 -10.733 1.00 0.00 C ATOM 241 O LYS A 19 10.610 11.329 -11.113 1.00 0.00 O ATOM 242 CB LYS A 19 9.854 11.329 -8.278 1.00 0.00 C ATOM 243 CG LYS A 19 9.280 12.698 -7.967 1.00 0.00 C ATOM 244 CD LYS A 19 10.159 13.446 -6.983 1.00 0.00 C ATOM 245 CE LYS A 19 11.441 13.910 -7.646 1.00 0.00 C ATOM 246 NZ LYS A 19 12.417 14.438 -6.659 1.00 0.00 N ATOM 0 H LYS A 19 10.231 8.958 -8.715 1.00 0.00 H new ATOM 0 HA LYS A 19 8.042 10.660 -9.232 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.831 10.722 -7.373 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.901 11.440 -8.560 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.186 13.274 -8.887 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.277 12.590 -7.555 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.618 14.305 -6.587 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.395 12.801 -6.137 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.889 13.079 -8.190 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.211 14.684 -8.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.159 14.971 -7.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.928 15.067 -5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.848 13.647 -6.139 1.00 0.00 H new ATOM 260 N GLY A 20 8.412 11.641 -11.441 1.00 0.00 N ATOM 261 CA GLY A 20 8.605 12.369 -12.673 1.00 0.00 C ATOM 262 C GLY A 20 8.576 13.861 -12.429 1.00 0.00 C ATOM 263 O GLY A 20 8.641 14.298 -11.276 1.00 0.00 O ATOM 0 H GLY A 20 7.437 11.487 -11.183 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.559 12.088 -13.120 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.826 12.098 -13.386 1.00 0.00 H new ATOM 267 N PRO A 21 8.459 14.678 -13.483 1.00 0.00 N ATOM 268 CA PRO A 21 8.408 16.137 -13.349 1.00 0.00 C ATOM 269 C PRO A 21 7.169 16.609 -12.587 1.00 0.00 C ATOM 270 O PRO A 21 7.083 17.765 -12.173 1.00 0.00 O ATOM 271 CB PRO A 21 8.376 16.637 -14.798 1.00 0.00 C ATOM 272 CG PRO A 21 7.911 15.476 -15.606 1.00 0.00 C ATOM 273 CD PRO A 21 8.393 14.246 -14.889 1.00 0.00 C ATOM 0 HA PRO A 21 9.254 16.520 -12.777 1.00 0.00 H new ATOM 0 HB2 PRO A 21 7.701 17.486 -14.906 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.362 16.970 -15.121 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.825 15.474 -15.695 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.314 15.520 -16.618 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.708 13.409 -15.021 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.367 13.922 -15.256 1.00 0.00 H new ATOM 281 N ASN A 22 6.218 15.703 -12.393 1.00 0.00 N ATOM 282 CA ASN A 22 4.993 16.020 -11.667 1.00 0.00 C ATOM 283 C ASN A 22 5.029 15.441 -10.257 1.00 0.00 C ATOM 284 O ASN A 22 4.077 15.595 -9.491 1.00 0.00 O ATOM 285 CB ASN A 22 3.763 15.477 -12.404 1.00 0.00 C ATOM 286 CG ASN A 22 3.750 13.958 -12.503 1.00 0.00 C ATOM 287 OD1 ASN A 22 3.283 13.267 -11.599 1.00 0.00 O ATOM 288 ND2 ASN A 22 4.238 13.435 -13.614 1.00 0.00 N ATOM 0 H ASN A 22 6.271 14.741 -12.729 1.00 0.00 H new ATOM 0 HA ASN A 22 4.923 17.106 -11.606 1.00 0.00 H new ATOM 0 HB2 ASN A 22 2.862 15.810 -11.889 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.731 15.901 -13.408 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.236 12.423 -13.745 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.617 14.043 -14.340 1.00 0.00 H new ATOM 295 N GLY A 23 6.130 14.795 -9.904 1.00 0.00 N ATOM 296 CA GLY A 23 6.187 14.088 -8.649 1.00 0.00 C ATOM 297 C GLY A 23 5.783 12.639 -8.820 1.00 0.00 C ATOM 298 O GLY A 23 6.240 11.976 -9.750 1.00 0.00 O ATOM 0 H GLY A 23 6.981 14.750 -10.465 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.197 14.141 -8.244 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.528 14.570 -7.927 1.00 0.00 H new ATOM 302 N TYR A 24 4.929 12.139 -7.939 1.00 0.00 N ATOM 303 CA TYR A 24 4.470 10.760 -8.048 1.00 0.00 C ATOM 304 C TYR A 24 3.024 10.698 -8.533 1.00 0.00 C ATOM 305 O TYR A 24 2.615 9.734 -9.176 1.00 0.00 O ATOM 306 CB TYR A 24 4.629 10.024 -6.718 1.00 0.00 C ATOM 307 CG TYR A 24 6.066 9.920 -6.260 1.00 0.00 C ATOM 308 CD1 TYR A 24 6.877 8.890 -6.711 1.00 0.00 C ATOM 309 CD2 TYR A 24 6.613 10.850 -5.387 1.00 0.00 C ATOM 310 CE1 TYR A 24 8.192 8.787 -6.307 1.00 0.00 C ATOM 311 CE2 TYR A 24 7.927 10.754 -4.975 1.00 0.00 C ATOM 312 CZ TYR A 24 8.714 9.721 -5.438 1.00 0.00 C ATOM 313 OH TYR A 24 10.026 9.631 -5.039 1.00 0.00 O ATOM 0 H TYR A 24 4.543 12.658 -7.150 1.00 0.00 H new ATOM 0 HA TYR A 24 5.094 10.259 -8.789 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.048 10.540 -5.954 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.212 9.021 -6.813 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.472 8.155 -7.391 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.001 11.662 -5.024 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.809 7.979 -6.670 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.337 11.485 -4.293 1.00 0.00 H new ATOM 0 HH TYR A 24 10.233 10.368 -4.427 1.00 0.00 H new ATOM 323 N GLY A 25 2.261 11.740 -8.215 1.00 0.00 N ATOM 324 CA GLY A 25 0.931 11.896 -8.781 1.00 0.00 C ATOM 325 C GLY A 25 -0.153 11.127 -8.048 1.00 0.00 C ATOM 326 O GLY A 25 -1.057 10.582 -8.675 1.00 0.00 O ATOM 0 H GLY A 25 2.541 12.482 -7.573 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.671 12.955 -8.783 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.951 11.571 -9.821 1.00 0.00 H new ATOM 330 N PHE A 26 -0.094 11.094 -6.728 1.00 0.00 N ATOM 331 CA PHE A 26 -1.151 10.460 -5.950 1.00 0.00 C ATOM 332 C PHE A 26 -1.476 11.305 -4.729 1.00 0.00 C ATOM 333 O PHE A 26 -0.668 12.128 -4.299 1.00 0.00 O ATOM 334 CB PHE A 26 -0.758 9.032 -5.533 1.00 0.00 C ATOM 335 CG PHE A 26 0.234 8.956 -4.400 1.00 0.00 C ATOM 336 CD1 PHE A 26 1.593 9.081 -4.637 1.00 0.00 C ATOM 337 CD2 PHE A 26 -0.200 8.754 -3.100 1.00 0.00 C ATOM 338 CE1 PHE A 26 2.499 9.010 -3.597 1.00 0.00 C ATOM 339 CE2 PHE A 26 0.701 8.683 -2.056 1.00 0.00 C ATOM 340 CZ PHE A 26 2.053 8.810 -2.305 1.00 0.00 C ATOM 0 H PHE A 26 0.664 11.493 -6.175 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.040 10.387 -6.577 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.660 8.491 -5.245 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.340 8.518 -6.398 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.948 9.236 -5.645 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.256 8.651 -2.901 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.556 9.111 -3.794 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.349 8.528 -1.047 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.761 8.753 -1.491 1.00 0.00 H new ATOM 350 N HIS A 27 -2.670 11.122 -4.194 1.00 0.00 N ATOM 351 CA HIS A 27 -3.105 11.859 -3.016 1.00 0.00 C ATOM 352 C HIS A 27 -3.554 10.887 -1.940 1.00 0.00 C ATOM 353 O HIS A 27 -4.224 9.896 -2.232 1.00 0.00 O ATOM 354 CB HIS A 27 -4.244 12.829 -3.358 1.00 0.00 C ATOM 355 CG HIS A 27 -3.875 13.870 -4.373 1.00 0.00 C ATOM 356 ND1 HIS A 27 -3.634 15.189 -4.056 1.00 0.00 N ATOM 357 CD2 HIS A 27 -3.726 13.776 -5.714 1.00 0.00 C ATOM 358 CE1 HIS A 27 -3.350 15.859 -5.161 1.00 0.00 C ATOM 359 NE2 HIS A 27 -3.400 15.022 -6.182 1.00 0.00 N ATOM 0 H HIS A 27 -3.361 10.466 -4.558 1.00 0.00 H new ATOM 0 HA HIS A 27 -2.263 12.445 -2.648 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.094 12.258 -3.731 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.570 13.326 -2.445 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -3.843 12.882 -6.308 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.117 16.912 -5.219 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -3.225 15.263 -7.157 1.00 0.00 H new ATOM 368 N LEU A 28 -3.193 11.177 -0.703 1.00 0.00 N ATOM 369 CA LEU A 28 -3.455 10.274 0.407 1.00 0.00 C ATOM 370 C LEU A 28 -4.519 10.855 1.337 1.00 0.00 C ATOM 371 O LEU A 28 -4.539 12.060 1.578 1.00 0.00 O ATOM 372 CB LEU A 28 -2.156 10.047 1.184 1.00 0.00 C ATOM 373 CG LEU A 28 -2.207 8.955 2.248 1.00 0.00 C ATOM 374 CD1 LEU A 28 -2.166 7.578 1.606 1.00 0.00 C ATOM 375 CD2 LEU A 28 -1.067 9.128 3.237 1.00 0.00 C ATOM 0 H LEU A 28 -2.714 12.038 -0.439 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.824 9.327 0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.367 9.801 0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.872 10.984 1.664 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.148 9.043 2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.203 6.813 2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.021 7.461 0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.244 7.470 1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.116 8.342 3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.115 9.066 2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.150 10.101 3.722 1.00 0.00 H new ATOM 387 N HIS A 29 -5.398 10.003 1.860 1.00 0.00 N ATOM 388 CA HIS A 29 -6.408 10.455 2.812 1.00 0.00 C ATOM 389 C HIS A 29 -6.512 9.469 3.969 1.00 0.00 C ATOM 390 O HIS A 29 -6.218 8.282 3.814 1.00 0.00 O ATOM 391 CB HIS A 29 -7.782 10.661 2.138 1.00 0.00 C ATOM 392 CG HIS A 29 -8.662 9.442 2.069 1.00 0.00 C ATOM 393 ND1 HIS A 29 -9.880 9.368 2.707 1.00 0.00 N ATOM 394 CD2 HIS A 29 -8.509 8.262 1.422 1.00 0.00 C ATOM 395 CE1 HIS A 29 -10.437 8.198 2.461 1.00 0.00 C ATOM 396 NE2 HIS A 29 -9.627 7.510 1.683 1.00 0.00 N ATOM 0 H HIS A 29 -5.431 9.007 1.643 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.095 11.424 3.200 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.317 11.443 2.676 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.618 11.027 1.124 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.666 7.968 0.815 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -11.393 7.862 2.834 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.803 6.569 1.331 1.00 0.00 H new ATOM 405 N GLY A 30 -6.904 9.969 5.126 1.00 0.00 N ATOM 406 CA GLY A 30 -7.041 9.128 6.292 1.00 0.00 C ATOM 407 C GLY A 30 -8.329 9.393 7.031 1.00 0.00 C ATOM 408 O GLY A 30 -8.511 10.464 7.610 1.00 0.00 O ATOM 0 H GLY A 30 -7.132 10.951 5.280 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.005 8.081 5.990 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.198 9.296 6.962 1.00 0.00 H new ATOM 412 N GLU A 31 -9.220 8.415 7.003 1.00 0.00 N ATOM 413 CA GLU A 31 -10.507 8.512 7.682 1.00 0.00 C ATOM 414 C GLU A 31 -10.320 8.573 9.198 1.00 0.00 C ATOM 415 O GLU A 31 -9.200 8.497 9.705 1.00 0.00 O ATOM 416 CB GLU A 31 -11.370 7.304 7.308 1.00 0.00 C ATOM 417 CG GLU A 31 -11.712 7.233 5.827 1.00 0.00 C ATOM 418 CD GLU A 31 -12.508 5.992 5.470 1.00 0.00 C ATOM 419 OE1 GLU A 31 -11.889 4.938 5.223 1.00 0.00 O ATOM 420 OE2 GLU A 31 -13.753 6.061 5.433 1.00 0.00 O ATOM 0 H GLU A 31 -9.075 7.533 6.511 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.003 9.429 7.365 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.847 6.392 7.595 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.295 7.336 7.884 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.282 8.119 5.547 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.791 7.249 5.244 1.00 0.00 H new ATOM 427 N LYS A 32 -11.415 8.728 9.918 1.00 0.00 N ATOM 428 CA LYS A 32 -11.378 8.686 11.370 1.00 0.00 C ATOM 429 C LYS A 32 -11.911 7.339 11.839 1.00 0.00 C ATOM 430 O LYS A 32 -12.901 6.844 11.303 1.00 0.00 O ATOM 431 CB LYS A 32 -12.202 9.831 11.966 1.00 0.00 C ATOM 432 CG LYS A 32 -12.092 9.943 13.480 1.00 0.00 C ATOM 433 CD LYS A 32 -10.681 10.305 13.928 1.00 0.00 C ATOM 434 CE LYS A 32 -10.277 11.699 13.469 1.00 0.00 C ATOM 435 NZ LYS A 32 -11.126 12.757 14.080 1.00 0.00 N ATOM 0 H LYS A 32 -12.342 8.884 9.522 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.350 8.808 11.710 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.879 10.770 11.517 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -13.249 9.692 11.696 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.791 10.699 13.839 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.385 8.997 13.935 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.620 10.249 15.015 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.976 9.574 13.532 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.233 11.877 13.728 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.350 11.758 12.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.698 13.689 13.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.075 12.728 13.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.200 12.594 15.105 1.00 0.00 H new ATOM 449 N GLY A 33 -11.259 6.746 12.829 1.00 0.00 N ATOM 450 CA GLY A 33 -11.638 5.417 13.270 1.00 0.00 C ATOM 451 C GLY A 33 -10.951 4.330 12.467 1.00 0.00 C ATOM 452 O GLY A 33 -11.349 3.167 12.512 1.00 0.00 O ATOM 0 H GLY A 33 -10.476 7.160 13.335 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.388 5.301 14.324 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.719 5.302 13.184 1.00 0.00 H new ATOM 456 N LYS A 34 -9.912 4.711 11.735 1.00 0.00 N ATOM 457 CA LYS A 34 -9.181 3.771 10.903 1.00 0.00 C ATOM 458 C LYS A 34 -7.898 3.330 11.588 1.00 0.00 C ATOM 459 O LYS A 34 -7.668 3.637 12.760 1.00 0.00 O ATOM 460 CB LYS A 34 -8.869 4.395 9.528 1.00 0.00 C ATOM 461 CG LYS A 34 -8.177 5.762 9.558 1.00 0.00 C ATOM 462 CD LYS A 34 -6.755 5.694 10.099 1.00 0.00 C ATOM 463 CE LYS A 34 -5.955 6.942 9.759 1.00 0.00 C ATOM 464 NZ LYS A 34 -4.540 6.843 10.219 1.00 0.00 N ATOM 0 H LYS A 34 -9.558 5.667 11.702 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.808 2.892 10.751 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.239 3.702 8.970 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.803 4.493 8.974 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.158 6.176 8.550 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.762 6.446 10.172 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.785 5.566 11.181 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.252 4.818 9.688 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.975 7.103 8.681 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.426 7.811 10.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.916 7.296 9.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.439 7.322 11.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.277 5.842 10.320 1.00 0.00 H new ATOM 478 N LEU A 35 -7.068 2.615 10.850 1.00 0.00 N ATOM 479 CA LEU A 35 -5.743 2.263 11.323 1.00 0.00 C ATOM 480 C LEU A 35 -4.692 2.732 10.333 1.00 0.00 C ATOM 481 O LEU A 35 -3.610 3.171 10.716 1.00 0.00 O ATOM 482 CB LEU A 35 -5.613 0.753 11.572 1.00 0.00 C ATOM 483 CG LEU A 35 -5.773 -0.157 10.347 1.00 0.00 C ATOM 484 CD1 LEU A 35 -5.101 -1.492 10.603 1.00 0.00 C ATOM 485 CD2 LEU A 35 -7.241 -0.377 10.010 1.00 0.00 C ATOM 0 H LEU A 35 -7.290 2.266 9.918 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.583 2.767 12.276 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.635 0.563 12.014 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.359 0.463 12.312 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.298 0.335 9.498 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.219 -2.132 9.729 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.040 -1.334 10.797 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.560 -1.971 11.468 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.321 -1.026 9.138 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.743 -0.845 10.857 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.712 0.582 9.793 1.00 0.00 H new ATOM 497 N GLY A 36 -5.043 2.688 9.063 1.00 0.00 N ATOM 498 CA GLY A 36 -4.089 3.002 8.021 1.00 0.00 C ATOM 499 C GLY A 36 -4.543 4.127 7.114 1.00 0.00 C ATOM 500 O GLY A 36 -5.611 4.709 7.312 1.00 0.00 O ATOM 0 H GLY A 36 -5.975 2.440 8.731 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.138 3.274 8.479 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.910 2.110 7.421 1.00 0.00 H new ATOM 504 N GLN A 37 -3.724 4.425 6.117 1.00 0.00 N ATOM 505 CA GLN A 37 -3.996 5.498 5.174 1.00 0.00 C ATOM 506 C GLN A 37 -4.457 4.921 3.844 1.00 0.00 C ATOM 507 O GLN A 37 -4.069 3.816 3.473 1.00 0.00 O ATOM 508 CB GLN A 37 -2.738 6.341 4.985 1.00 0.00 C ATOM 509 CG GLN A 37 -2.246 6.970 6.278 1.00 0.00 C ATOM 510 CD GLN A 37 -3.220 7.990 6.834 1.00 0.00 C ATOM 511 OE1 GLN A 37 -3.354 8.149 8.045 1.00 0.00 O ATOM 512 NE2 GLN A 37 -3.892 8.705 5.947 1.00 0.00 N ATOM 0 H GLN A 37 -2.851 3.929 5.939 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.791 6.132 5.566 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.948 5.717 4.567 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.940 7.128 4.258 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.081 6.188 7.019 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.283 7.450 6.102 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.752 8.543 4.950 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.550 9.419 6.260 1.00 0.00 H new ATOM 521 N TYR A 38 -5.284 5.663 3.127 1.00 0.00 N ATOM 522 CA TYR A 38 -5.864 5.166 1.887 1.00 0.00 C ATOM 523 C TYR A 38 -5.606 6.144 0.751 1.00 0.00 C ATOM 524 O TYR A 38 -5.473 7.351 0.977 1.00 0.00 O ATOM 525 CB TYR A 38 -7.374 4.967 2.055 1.00 0.00 C ATOM 526 CG TYR A 38 -7.773 4.310 3.358 1.00 0.00 C ATOM 527 CD1 TYR A 38 -7.634 2.941 3.541 1.00 0.00 C ATOM 528 CD2 TYR A 38 -8.295 5.065 4.403 1.00 0.00 C ATOM 529 CE1 TYR A 38 -8.002 2.342 4.729 1.00 0.00 C ATOM 530 CE2 TYR A 38 -8.667 4.474 5.593 1.00 0.00 C ATOM 531 CZ TYR A 38 -8.518 3.110 5.751 1.00 0.00 C ATOM 532 OH TYR A 38 -8.886 2.513 6.933 1.00 0.00 O ATOM 0 H TYR A 38 -5.569 6.609 3.380 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.397 4.211 1.647 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.867 5.937 1.985 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.743 4.361 1.228 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -7.232 2.336 2.742 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.411 6.132 4.281 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.886 1.276 4.857 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -9.072 5.074 6.395 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.326 1.724 7.090 1.00 0.00 H new ATOM 542 N ILE A 39 -5.530 5.619 -0.464 1.00 0.00 N ATOM 543 CA ILE A 39 -5.365 6.446 -1.652 1.00 0.00 C ATOM 544 C ILE A 39 -6.648 7.217 -1.934 1.00 0.00 C ATOM 545 O ILE A 39 -7.714 6.621 -2.093 1.00 0.00 O ATOM 546 CB ILE A 39 -5.018 5.592 -2.892 1.00 0.00 C ATOM 547 CG1 ILE A 39 -3.753 4.761 -2.650 1.00 0.00 C ATOM 548 CG2 ILE A 39 -4.842 6.485 -4.113 1.00 0.00 C ATOM 549 CD1 ILE A 39 -2.485 5.582 -2.570 1.00 0.00 C ATOM 0 H ILE A 39 -5.580 4.618 -0.654 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.544 7.136 -1.458 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.843 4.904 -3.075 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.870 4.201 -1.722 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.651 4.031 -3.453 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.598 5.872 -4.980 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.767 7.029 -4.302 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.035 7.195 -3.932 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.635 4.922 -2.397 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.341 6.122 -3.506 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.564 6.294 -1.749 1.00 0.00 H new ATOM 561 N ARG A 40 -6.544 8.536 -1.985 1.00 0.00 N ATOM 562 CA ARG A 40 -7.702 9.386 -2.229 1.00 0.00 C ATOM 563 C ARG A 40 -7.839 9.666 -3.718 1.00 0.00 C ATOM 564 O ARG A 40 -8.935 9.625 -4.271 1.00 0.00 O ATOM 565 CB ARG A 40 -7.577 10.699 -1.439 1.00 0.00 C ATOM 566 CG ARG A 40 -8.890 11.461 -1.267 1.00 0.00 C ATOM 567 CD ARG A 40 -9.260 12.275 -2.498 1.00 0.00 C ATOM 568 NE ARG A 40 -8.328 13.379 -2.723 1.00 0.00 N ATOM 569 CZ ARG A 40 -8.325 14.146 -3.810 1.00 0.00 C ATOM 570 NH1 ARG A 40 -9.204 13.942 -4.785 1.00 0.00 N ATOM 571 NH2 ARG A 40 -7.442 15.128 -3.912 1.00 0.00 N ATOM 0 H ARG A 40 -5.668 9.043 -1.861 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.599 8.867 -1.890 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.168 10.478 -0.453 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.860 11.346 -1.944 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.690 10.754 -1.050 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.810 12.126 -0.407 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.271 11.625 -3.373 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.269 12.670 -2.382 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.635 13.574 -2.000 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.890 13.191 -4.704 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.193 14.536 -5.614 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.772 15.291 -3.161 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.432 15.721 -4.742 1.00 0.00 H new ATOM 585 N LEU A 41 -6.718 9.933 -4.369 1.00 0.00 N ATOM 586 CA LEU A 41 -6.724 10.243 -5.790 1.00 0.00 C ATOM 587 C LEU A 41 -5.442 9.786 -6.451 1.00 0.00 C ATOM 588 O LEU A 41 -4.386 9.742 -5.818 1.00 0.00 O ATOM 589 CB LEU A 41 -6.887 11.746 -6.027 1.00 0.00 C ATOM 590 CG LEU A 41 -6.850 12.164 -7.499 1.00 0.00 C ATOM 591 CD1 LEU A 41 -8.151 11.800 -8.195 1.00 0.00 C ATOM 592 CD2 LEU A 41 -6.550 13.647 -7.638 1.00 0.00 C ATOM 0 H LEU A 41 -5.794 9.941 -3.937 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.570 9.713 -6.227 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.834 12.069 -5.594 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.097 12.273 -5.493 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.043 11.616 -7.986 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.103 12.106 -9.240 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.304 10.722 -8.139 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.981 12.310 -7.706 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.530 13.917 -8.694 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.324 14.224 -7.131 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.581 13.866 -7.189 1.00 0.00 H new ATOM 604 N VAL A 42 -5.546 9.444 -7.722 1.00 0.00 N ATOM 605 CA VAL A 42 -4.390 9.158 -8.538 1.00 0.00 C ATOM 606 C VAL A 42 -4.440 10.036 -9.779 1.00 0.00 C ATOM 607 O VAL A 42 -5.398 9.973 -10.548 1.00 0.00 O ATOM 608 CB VAL A 42 -4.328 7.674 -8.953 1.00 0.00 C ATOM 609 CG1 VAL A 42 -3.003 7.367 -9.627 1.00 0.00 C ATOM 610 CG2 VAL A 42 -4.538 6.763 -7.753 1.00 0.00 C ATOM 0 H VAL A 42 -6.436 9.358 -8.214 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.495 9.369 -7.952 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.133 7.487 -9.664 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.976 6.316 -9.914 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.894 7.988 -10.516 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.186 7.576 -8.936 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.490 5.722 -8.073 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.760 6.951 -7.013 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.515 6.962 -7.312 1.00 0.00 H new ATOM 620 N GLU A 43 -3.433 10.880 -9.940 1.00 0.00 N ATOM 621 CA GLU A 43 -3.373 11.806 -11.062 1.00 0.00 C ATOM 622 C GLU A 43 -3.215 11.035 -12.365 1.00 0.00 C ATOM 623 O GLU A 43 -2.261 10.276 -12.528 1.00 0.00 O ATOM 624 CB GLU A 43 -2.199 12.774 -10.888 1.00 0.00 C ATOM 625 CG GLU A 43 -2.293 13.652 -9.650 1.00 0.00 C ATOM 626 CD GLU A 43 -3.317 14.756 -9.783 1.00 0.00 C ATOM 627 OE1 GLU A 43 -3.499 15.276 -10.904 1.00 0.00 O ATOM 628 OE2 GLU A 43 -3.934 15.117 -8.764 1.00 0.00 O ATOM 0 H GLU A 43 -2.639 10.943 -9.302 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.301 12.377 -11.094 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.273 12.200 -10.843 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.136 13.413 -11.769 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.546 13.032 -8.790 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.316 14.093 -9.449 1.00 0.00 H new ATOM 635 N PRO A 44 -4.149 11.204 -13.306 1.00 0.00 N ATOM 636 CA PRO A 44 -4.100 10.505 -14.584 1.00 0.00 C ATOM 637 C PRO A 44 -2.864 10.885 -15.390 1.00 0.00 C ATOM 638 O PRO A 44 -2.641 12.054 -15.707 1.00 0.00 O ATOM 639 CB PRO A 44 -5.375 10.947 -15.300 1.00 0.00 C ATOM 640 CG PRO A 44 -5.783 12.207 -14.625 1.00 0.00 C ATOM 641 CD PRO A 44 -5.317 12.089 -13.203 1.00 0.00 C ATOM 0 HA PRO A 44 -4.039 9.424 -14.456 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.194 11.110 -16.362 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.154 10.188 -15.222 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.334 13.073 -15.112 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.864 12.341 -14.671 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.051 13.060 -12.784 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.088 11.665 -12.560 1.00 0.00 H new ATOM 649 N GLY A 45 -2.065 9.886 -15.702 1.00 0.00 N ATOM 650 CA GLY A 45 -0.837 10.104 -16.437 1.00 0.00 C ATOM 651 C GLY A 45 0.390 10.024 -15.548 1.00 0.00 C ATOM 652 O GLY A 45 1.521 10.111 -16.026 1.00 0.00 O ATOM 0 H GLY A 45 -2.245 8.912 -15.457 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.756 9.362 -17.232 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.872 11.082 -16.916 1.00 0.00 H new ATOM 656 N SER A 46 0.175 9.836 -14.253 1.00 0.00 N ATOM 657 CA SER A 46 1.273 9.832 -13.292 1.00 0.00 C ATOM 658 C SER A 46 1.945 8.461 -13.232 1.00 0.00 C ATOM 659 O SER A 46 1.402 7.471 -13.732 1.00 0.00 O ATOM 660 CB SER A 46 0.754 10.209 -11.904 1.00 0.00 C ATOM 661 OG SER A 46 -0.152 9.233 -11.423 1.00 0.00 O ATOM 0 H SER A 46 -0.747 9.685 -13.843 1.00 0.00 H new ATOM 0 HA SER A 46 2.011 10.565 -13.618 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.591 10.307 -11.212 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.260 11.180 -11.947 1.00 0.00 H new ATOM 0 HG SER A 46 -1.070 9.510 -11.627 1.00 0.00 H new ATOM 667 N PRO A 47 3.148 8.385 -12.639 1.00 0.00 N ATOM 668 CA PRO A 47 3.823 7.110 -12.391 1.00 0.00 C ATOM 669 C PRO A 47 3.099 6.266 -11.346 1.00 0.00 C ATOM 670 O PRO A 47 3.310 5.058 -11.261 1.00 0.00 O ATOM 671 CB PRO A 47 5.205 7.522 -11.879 1.00 0.00 C ATOM 672 CG PRO A 47 5.023 8.899 -11.346 1.00 0.00 C ATOM 673 CD PRO A 47 3.964 9.535 -12.199 1.00 0.00 C ATOM 0 HA PRO A 47 3.857 6.491 -13.287 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.558 6.842 -11.104 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.944 7.503 -12.680 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.719 8.876 -10.299 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.955 9.463 -11.395 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.372 10.256 -11.635 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.396 10.069 -13.045 1.00 0.00 H new ATOM 681 N ALA A 48 2.241 6.910 -10.562 1.00 0.00 N ATOM 682 CA ALA A 48 1.475 6.217 -9.536 1.00 0.00 C ATOM 683 C ALA A 48 0.551 5.181 -10.164 1.00 0.00 C ATOM 684 O ALA A 48 0.445 4.053 -9.674 1.00 0.00 O ATOM 685 CB ALA A 48 0.672 7.208 -8.710 1.00 0.00 C ATOM 0 H ALA A 48 2.059 7.912 -10.619 1.00 0.00 H new ATOM 0 HA ALA A 48 2.174 5.702 -8.877 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.106 6.672 -7.948 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.349 7.914 -8.229 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.016 7.750 -9.359 1.00 0.00 H new ATOM 691 N GLU A 49 -0.105 5.563 -11.259 1.00 0.00 N ATOM 692 CA GLU A 49 -0.971 4.643 -11.991 1.00 0.00 C ATOM 693 C GLU A 49 -0.160 3.478 -12.522 1.00 0.00 C ATOM 694 O GLU A 49 -0.607 2.334 -12.518 1.00 0.00 O ATOM 695 CB GLU A 49 -1.641 5.334 -13.175 1.00 0.00 C ATOM 696 CG GLU A 49 -2.416 6.582 -12.823 1.00 0.00 C ATOM 697 CD GLU A 49 -3.250 7.058 -13.988 1.00 0.00 C ATOM 698 OE1 GLU A 49 -2.660 7.443 -15.021 1.00 0.00 O ATOM 699 OE2 GLU A 49 -4.494 7.028 -13.889 1.00 0.00 O ATOM 0 H GLU A 49 -0.053 6.501 -11.657 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.736 4.294 -11.297 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.876 5.592 -13.907 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.317 4.627 -13.656 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.062 6.382 -11.968 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.725 7.369 -12.523 1.00 0.00 H new ATOM 706 N LYS A 50 1.046 3.792 -12.972 1.00 0.00 N ATOM 707 CA LYS A 50 1.929 2.811 -13.578 1.00 0.00 C ATOM 708 C LYS A 50 2.420 1.808 -12.540 1.00 0.00 C ATOM 709 O LYS A 50 2.772 0.676 -12.875 1.00 0.00 O ATOM 710 CB LYS A 50 3.111 3.523 -14.237 1.00 0.00 C ATOM 711 CG LYS A 50 2.694 4.521 -15.306 1.00 0.00 C ATOM 712 CD LYS A 50 3.879 5.308 -15.840 1.00 0.00 C ATOM 713 CE LYS A 50 3.473 6.231 -16.983 1.00 0.00 C ATOM 714 NZ LYS A 50 2.481 7.258 -16.561 1.00 0.00 N ATOM 0 H LYS A 50 1.438 4.733 -12.927 1.00 0.00 H new ATOM 0 HA LYS A 50 1.374 2.261 -14.338 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.687 4.042 -13.470 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.771 2.779 -14.683 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.210 3.992 -16.127 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.958 5.210 -14.892 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.317 5.897 -15.035 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.649 4.618 -16.185 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.360 6.727 -17.377 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.053 5.636 -17.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.572 7.077 -17.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.351 7.212 -15.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.826 8.203 -16.825 1.00 0.00 H new ATOM 728 N ALA A 51 2.436 2.226 -11.281 1.00 0.00 N ATOM 729 CA ALA A 51 2.844 1.350 -10.195 1.00 0.00 C ATOM 730 C ALA A 51 1.672 0.497 -9.720 1.00 0.00 C ATOM 731 O ALA A 51 1.861 -0.536 -9.080 1.00 0.00 O ATOM 732 CB ALA A 51 3.408 2.167 -9.047 1.00 0.00 C ATOM 0 H ALA A 51 2.171 3.167 -10.988 1.00 0.00 H new ATOM 0 HA ALA A 51 3.622 0.682 -10.563 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.710 1.500 -8.240 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.273 2.732 -9.393 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.646 2.856 -8.682 1.00 0.00 H new ATOM 738 N GLY A 52 0.462 0.927 -10.056 1.00 0.00 N ATOM 739 CA GLY A 52 -0.716 0.162 -9.702 1.00 0.00 C ATOM 740 C GLY A 52 -1.518 0.780 -8.571 1.00 0.00 C ATOM 741 O GLY A 52 -2.326 0.099 -7.935 1.00 0.00 O ATOM 0 H GLY A 52 0.277 1.790 -10.566 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.355 0.065 -10.580 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.414 -0.845 -9.415 1.00 0.00 H new ATOM 745 N LEU A 53 -1.306 2.064 -8.314 1.00 0.00 N ATOM 746 CA LEU A 53 -2.055 2.760 -7.274 1.00 0.00 C ATOM 747 C LEU A 53 -3.417 3.187 -7.796 1.00 0.00 C ATOM 748 O LEU A 53 -3.522 3.759 -8.882 1.00 0.00 O ATOM 749 CB LEU A 53 -1.297 3.994 -6.766 1.00 0.00 C ATOM 750 CG LEU A 53 -0.165 3.724 -5.766 1.00 0.00 C ATOM 751 CD1 LEU A 53 0.984 2.979 -6.422 1.00 0.00 C ATOM 752 CD2 LEU A 53 0.325 5.031 -5.159 1.00 0.00 C ATOM 0 H LEU A 53 -0.626 2.642 -8.807 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.182 2.065 -6.444 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.878 4.518 -7.625 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.014 4.669 -6.299 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.561 3.092 -4.971 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.770 2.803 -5.688 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.626 2.024 -6.807 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.382 3.575 -7.244 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.128 4.825 -4.451 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.697 5.683 -5.950 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.498 5.523 -4.641 1.00 0.00 H new ATOM 764 N LEU A 54 -4.457 2.901 -7.029 1.00 0.00 N ATOM 765 CA LEU A 54 -5.801 3.311 -7.386 1.00 0.00 C ATOM 766 C LEU A 54 -6.496 3.924 -6.179 1.00 0.00 C ATOM 767 O LEU A 54 -6.164 3.611 -5.034 1.00 0.00 O ATOM 768 CB LEU A 54 -6.597 2.124 -7.922 1.00 0.00 C ATOM 769 CG LEU A 54 -7.950 2.480 -8.536 1.00 0.00 C ATOM 770 CD1 LEU A 54 -7.778 3.501 -9.652 1.00 0.00 C ATOM 771 CD2 LEU A 54 -8.623 1.231 -9.063 1.00 0.00 C ATOM 0 H LEU A 54 -4.393 2.384 -6.152 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.742 4.063 -8.173 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.996 1.613 -8.674 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.759 1.417 -7.109 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.580 2.921 -7.763 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.752 3.742 -10.077 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.323 4.406 -9.250 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.136 3.086 -10.429 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.587 1.493 -9.499 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.993 0.772 -9.825 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.775 0.527 -8.245 1.00 0.00 H new ATOM 783 N ALA A 55 -7.443 4.817 -6.439 1.00 0.00 N ATOM 784 CA ALA A 55 -8.159 5.511 -5.380 1.00 0.00 C ATOM 785 C ALA A 55 -9.051 4.550 -4.604 1.00 0.00 C ATOM 786 O ALA A 55 -10.193 4.298 -4.986 1.00 0.00 O ATOM 787 CB ALA A 55 -8.975 6.658 -5.957 1.00 0.00 C ATOM 0 H ALA A 55 -7.733 5.078 -7.381 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.427 5.922 -4.685 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.505 7.168 -5.153 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.310 7.362 -6.457 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.695 6.267 -6.675 1.00 0.00 H new ATOM 793 N GLY A 56 -8.505 4.012 -3.526 1.00 0.00 N ATOM 794 CA GLY A 56 -9.230 3.068 -2.704 1.00 0.00 C ATOM 795 C GLY A 56 -8.295 2.131 -1.974 1.00 0.00 C ATOM 796 O GLY A 56 -8.624 1.631 -0.900 1.00 0.00 O ATOM 0 H GLY A 56 -7.559 4.216 -3.202 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.841 3.609 -1.981 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.911 2.490 -3.328 1.00 0.00 H new ATOM 800 N ASP A 57 -7.118 1.912 -2.552 1.00 0.00 N ATOM 801 CA ASP A 57 -6.126 1.007 -1.968 1.00 0.00 C ATOM 802 C ASP A 57 -5.633 1.527 -0.622 1.00 0.00 C ATOM 803 O ASP A 57 -5.438 2.734 -0.446 1.00 0.00 O ATOM 804 CB ASP A 57 -4.931 0.829 -2.910 1.00 0.00 C ATOM 805 CG ASP A 57 -5.289 0.088 -4.182 1.00 0.00 C ATOM 806 OD1 ASP A 57 -5.195 -1.157 -4.201 1.00 0.00 O ATOM 807 OD2 ASP A 57 -5.664 0.748 -5.172 1.00 0.00 O ATOM 0 H ASP A 57 -6.825 2.348 -3.426 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.613 0.043 -1.818 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.528 1.809 -3.167 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.142 0.287 -2.389 1.00 0.00 H new ATOM 812 N ARG A 58 -5.437 0.617 0.328 1.00 0.00 N ATOM 813 CA ARG A 58 -4.903 0.980 1.632 1.00 0.00 C ATOM 814 C ARG A 58 -3.388 0.877 1.607 1.00 0.00 C ATOM 815 O ARG A 58 -2.835 -0.121 1.144 1.00 0.00 O ATOM 816 CB ARG A 58 -5.450 0.070 2.737 1.00 0.00 C ATOM 817 CG ARG A 58 -5.054 0.529 4.138 1.00 0.00 C ATOM 818 CD ARG A 58 -5.322 -0.537 5.190 1.00 0.00 C ATOM 819 NE ARG A 58 -6.696 -1.038 5.143 1.00 0.00 N ATOM 820 CZ ARG A 58 -7.030 -2.299 5.421 1.00 0.00 C ATOM 821 NH1 ARG A 58 -6.129 -3.135 5.915 1.00 0.00 N ATOM 822 NH2 ARG A 58 -8.281 -2.716 5.270 1.00 0.00 N ATOM 0 H ARG A 58 -5.641 -0.376 0.217 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.210 2.003 1.847 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.537 0.035 2.666 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.087 -0.945 2.577 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.995 0.788 4.148 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.606 1.434 4.391 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.631 -1.367 5.045 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.123 -0.125 6.179 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.438 -0.388 4.884 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.175 -2.815 6.084 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.389 -4.098 6.126 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.997 -2.070 4.939 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.526 -3.682 5.485 1.00 0.00 H new ATOM 836 N LEU A 59 -2.732 1.904 2.106 1.00 0.00 N ATOM 837 CA LEU A 59 -1.284 1.933 2.156 1.00 0.00 C ATOM 838 C LEU A 59 -0.792 1.133 3.356 1.00 0.00 C ATOM 839 O LEU A 59 -1.022 1.509 4.505 1.00 0.00 O ATOM 840 CB LEU A 59 -0.792 3.382 2.227 1.00 0.00 C ATOM 841 CG LEU A 59 0.720 3.570 2.112 1.00 0.00 C ATOM 842 CD1 LEU A 59 1.241 2.974 0.813 1.00 0.00 C ATOM 843 CD2 LEU A 59 1.064 5.046 2.199 1.00 0.00 C ATOM 0 H LEU A 59 -3.183 2.736 2.486 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.882 1.479 1.250 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.273 3.950 1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.123 3.814 3.171 1.00 0.00 H new ATOM 0 HG LEU A 59 1.201 3.046 2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.320 3.120 0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.017 1.908 0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.761 3.467 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.143 5.174 2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.572 5.583 1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.724 5.443 3.155 1.00 0.00 H new ATOM 855 N VAL A 60 -0.131 0.020 3.073 1.00 0.00 N ATOM 856 CA VAL A 60 0.312 -0.903 4.108 1.00 0.00 C ATOM 857 C VAL A 60 1.765 -0.642 4.499 1.00 0.00 C ATOM 858 O VAL A 60 2.126 -0.725 5.675 1.00 0.00 O ATOM 859 CB VAL A 60 0.168 -2.369 3.638 1.00 0.00 C ATOM 860 CG1 VAL A 60 0.502 -3.339 4.762 1.00 0.00 C ATOM 861 CG2 VAL A 60 -1.234 -2.628 3.111 1.00 0.00 C ATOM 0 H VAL A 60 0.112 -0.268 2.125 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.323 -0.739 4.978 1.00 0.00 H new ATOM 0 HB VAL A 60 0.878 -2.532 2.827 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.392 -4.363 4.404 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.529 -3.177 5.089 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.176 -3.173 5.599 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.314 -3.665 2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.961 -2.438 3.901 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.434 -1.967 2.268 1.00 0.00 H new ATOM 871 N GLU A 61 2.600 -0.323 3.519 1.00 0.00 N ATOM 872 CA GLU A 61 4.014 -0.110 3.786 1.00 0.00 C ATOM 873 C GLU A 61 4.610 0.920 2.828 1.00 0.00 C ATOM 874 O GLU A 61 4.155 1.063 1.692 1.00 0.00 O ATOM 875 CB GLU A 61 4.753 -1.456 3.691 1.00 0.00 C ATOM 876 CG GLU A 61 6.265 -1.364 3.795 1.00 0.00 C ATOM 877 CD GLU A 61 6.859 -2.520 4.578 1.00 0.00 C ATOM 878 OE1 GLU A 61 6.587 -2.617 5.794 1.00 0.00 O ATOM 879 OE2 GLU A 61 7.608 -3.323 3.989 1.00 0.00 O ATOM 0 H GLU A 61 2.326 -0.207 2.543 1.00 0.00 H new ATOM 0 HA GLU A 61 4.131 0.291 4.793 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.388 -2.111 4.482 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.497 -1.928 2.743 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.696 -1.347 2.794 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.538 -0.424 4.275 1.00 0.00 H new ATOM 886 N VAL A 62 5.629 1.631 3.300 1.00 0.00 N ATOM 887 CA VAL A 62 6.335 2.621 2.497 1.00 0.00 C ATOM 888 C VAL A 62 7.837 2.423 2.622 1.00 0.00 C ATOM 889 O VAL A 62 8.410 2.634 3.691 1.00 0.00 O ATOM 890 CB VAL A 62 5.995 4.068 2.917 1.00 0.00 C ATOM 891 CG1 VAL A 62 6.799 5.073 2.102 1.00 0.00 C ATOM 892 CG2 VAL A 62 4.510 4.341 2.770 1.00 0.00 C ATOM 0 H VAL A 62 5.988 1.536 4.250 1.00 0.00 H new ATOM 0 HA VAL A 62 6.012 2.476 1.466 1.00 0.00 H new ATOM 0 HB VAL A 62 6.263 4.181 3.967 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.542 6.085 2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.864 4.903 2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.567 4.952 1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.297 5.366 3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.215 4.200 1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.949 3.653 3.402 1.00 0.00 H new ATOM 902 N ASN A 63 8.450 1.990 1.529 1.00 0.00 N ATOM 903 CA ASN A 63 9.902 1.827 1.434 1.00 0.00 C ATOM 904 C ASN A 63 10.452 0.957 2.568 1.00 0.00 C ATOM 905 O ASN A 63 11.539 1.212 3.092 1.00 0.00 O ATOM 906 CB ASN A 63 10.593 3.196 1.440 1.00 0.00 C ATOM 907 CG ASN A 63 11.764 3.262 0.476 1.00 0.00 C ATOM 908 OD1 ASN A 63 12.390 2.251 0.160 1.00 0.00 O ATOM 909 ND2 ASN A 63 12.063 4.461 -0.004 1.00 0.00 N ATOM 0 H ASN A 63 7.953 1.739 0.674 1.00 0.00 H new ATOM 0 HA ASN A 63 10.114 1.320 0.493 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.868 3.966 1.178 1.00 0.00 H new ATOM 0 HB3 ASN A 63 10.944 3.418 2.448 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.836 4.569 -0.660 1.00 0.00 H new ATOM 0 HD22 ASN A 63 11.520 5.275 0.283 1.00 0.00 H new ATOM 916 N GLY A 64 9.695 -0.064 2.948 1.00 0.00 N ATOM 917 CA GLY A 64 10.162 -0.990 3.961 1.00 0.00 C ATOM 918 C GLY A 64 9.683 -0.653 5.363 1.00 0.00 C ATOM 919 O GLY A 64 10.146 -1.249 6.338 1.00 0.00 O ATOM 0 H GLY A 64 8.768 -0.267 2.574 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.828 -1.995 3.704 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.252 -1.005 3.953 1.00 0.00 H new ATOM 923 N GLU A 65 8.763 0.293 5.483 1.00 0.00 N ATOM 924 CA GLU A 65 8.220 0.653 6.788 1.00 0.00 C ATOM 925 C GLU A 65 6.714 0.436 6.832 1.00 0.00 C ATOM 926 O GLU A 65 5.988 0.886 5.945 1.00 0.00 O ATOM 927 CB GLU A 65 8.550 2.102 7.129 1.00 0.00 C ATOM 928 CG GLU A 65 8.129 2.494 8.535 1.00 0.00 C ATOM 929 CD GLU A 65 8.824 1.673 9.603 1.00 0.00 C ATOM 930 OE1 GLU A 65 8.303 0.601 9.976 1.00 0.00 O ATOM 931 OE2 GLU A 65 9.902 2.093 10.074 1.00 0.00 O ATOM 0 H GLU A 65 8.378 0.822 4.701 1.00 0.00 H new ATOM 0 HA GLU A 65 8.684 0.004 7.531 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.623 2.259 7.020 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.057 2.759 6.412 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.348 3.550 8.694 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.050 2.373 8.634 1.00 0.00 H new ATOM 938 N ASN A 66 6.257 -0.243 7.875 1.00 0.00 N ATOM 939 CA ASN A 66 4.845 -0.565 8.036 1.00 0.00 C ATOM 940 C ASN A 66 4.051 0.685 8.403 1.00 0.00 C ATOM 941 O ASN A 66 4.062 1.122 9.554 1.00 0.00 O ATOM 942 CB ASN A 66 4.673 -1.630 9.124 1.00 0.00 C ATOM 943 CG ASN A 66 3.239 -2.118 9.275 1.00 0.00 C ATOM 944 OD1 ASN A 66 2.793 -2.425 10.380 1.00 0.00 O ATOM 945 ND2 ASN A 66 2.513 -2.216 8.169 1.00 0.00 N ATOM 0 H ASN A 66 6.851 -0.585 8.630 1.00 0.00 H new ATOM 0 HA ASN A 66 4.467 -0.953 7.091 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.315 -2.480 8.894 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.012 -1.223 10.077 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.552 -2.555 8.218 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.916 -1.952 7.270 1.00 0.00 H new ATOM 952 N VAL A 67 3.370 1.255 7.421 1.00 0.00 N ATOM 953 CA VAL A 67 2.611 2.485 7.626 1.00 0.00 C ATOM 954 C VAL A 67 1.124 2.201 7.744 1.00 0.00 C ATOM 955 O VAL A 67 0.312 3.123 7.829 1.00 0.00 O ATOM 956 CB VAL A 67 2.824 3.485 6.476 1.00 0.00 C ATOM 957 CG1 VAL A 67 4.288 3.849 6.360 1.00 0.00 C ATOM 958 CG2 VAL A 67 2.302 2.919 5.165 1.00 0.00 C ATOM 0 H VAL A 67 3.326 0.887 6.471 1.00 0.00 H new ATOM 0 HA VAL A 67 2.979 2.920 8.555 1.00 0.00 H new ATOM 0 HB VAL A 67 2.261 4.391 6.698 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.423 4.557 5.542 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.625 4.302 7.292 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.872 2.950 6.162 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.463 3.643 4.366 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.832 1.996 4.930 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.236 2.712 5.257 1.00 0.00 H new ATOM 968 N GLU A 68 0.776 0.923 7.769 1.00 0.00 N ATOM 969 CA GLU A 68 -0.620 0.510 7.792 1.00 0.00 C ATOM 970 C GLU A 68 -1.278 0.888 9.112 1.00 0.00 C ATOM 971 O GLU A 68 -2.489 0.759 9.273 1.00 0.00 O ATOM 972 CB GLU A 68 -0.727 -0.996 7.584 1.00 0.00 C ATOM 973 CG GLU A 68 -2.018 -1.414 6.903 1.00 0.00 C ATOM 974 CD GLU A 68 -2.726 -2.546 7.613 1.00 0.00 C ATOM 975 OE1 GLU A 68 -2.073 -3.276 8.393 1.00 0.00 O ATOM 976 OE2 GLU A 68 -3.939 -2.715 7.388 1.00 0.00 O ATOM 0 H GLU A 68 1.443 0.152 7.774 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.137 1.026 6.983 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.119 -1.335 6.985 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.655 -1.496 8.550 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.686 -0.555 6.846 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.800 -1.716 5.879 1.00 0.00 H new ATOM 983 N LYS A 69 -0.473 1.339 10.062 1.00 0.00 N ATOM 984 CA LYS A 69 -0.990 1.749 11.358 1.00 0.00 C ATOM 985 C LYS A 69 -0.561 3.182 11.686 1.00 0.00 C ATOM 986 O LYS A 69 -0.617 3.598 12.844 1.00 0.00 O ATOM 987 CB LYS A 69 -0.494 0.810 12.467 1.00 0.00 C ATOM 988 CG LYS A 69 -0.510 -0.670 12.108 1.00 0.00 C ATOM 989 CD LYS A 69 -1.917 -1.174 11.859 1.00 0.00 C ATOM 990 CE LYS A 69 -1.936 -2.676 11.614 1.00 0.00 C ATOM 991 NZ LYS A 69 -1.538 -3.445 12.823 1.00 0.00 N ATOM 0 H LYS A 69 0.538 1.430 9.960 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.078 1.701 11.307 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.524 1.093 12.735 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.110 0.961 13.353 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.098 -0.835 11.218 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.056 -1.245 12.915 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.547 -0.936 12.716 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.342 -0.658 10.998 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.936 -2.980 11.305 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.261 -2.918 10.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.788 -4.446 12.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.511 -3.360 12.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.036 -3.067 13.654 1.00 0.00 H new ATOM 1005 N GLU A 70 -0.125 3.937 10.677 1.00 0.00 N ATOM 1006 CA GLU A 70 0.408 5.277 10.918 1.00 0.00 C ATOM 1007 C GLU A 70 -0.549 6.378 10.460 1.00 0.00 C ATOM 1008 O GLU A 70 -1.698 6.117 10.090 1.00 0.00 O ATOM 1009 CB GLU A 70 1.763 5.439 10.233 1.00 0.00 C ATOM 1010 CG GLU A 70 2.780 4.407 10.682 1.00 0.00 C ATOM 1011 CD GLU A 70 4.198 4.801 10.348 1.00 0.00 C ATOM 1012 OE1 GLU A 70 4.445 5.265 9.223 1.00 0.00 O ATOM 1013 OE2 GLU A 70 5.073 4.671 11.231 1.00 0.00 O ATOM 0 H GLU A 70 -0.130 3.649 9.699 1.00 0.00 H new ATOM 0 HA GLU A 70 0.530 5.384 11.996 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.630 5.364 9.154 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.151 6.437 10.438 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.692 4.261 11.759 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.553 3.451 10.211 1.00 0.00 H new ATOM 1020 N THR A 71 -0.059 7.618 10.501 1.00 0.00 N ATOM 1021 CA THR A 71 -0.885 8.789 10.238 1.00 0.00 C ATOM 1022 C THR A 71 -0.564 9.425 8.889 1.00 0.00 C ATOM 1023 O THR A 71 0.422 9.066 8.244 1.00 0.00 O ATOM 1024 CB THR A 71 -0.691 9.856 11.330 1.00 0.00 C ATOM 1025 OG1 THR A 71 0.650 10.363 11.283 1.00 0.00 O ATOM 1026 CG2 THR A 71 -0.968 9.279 12.711 1.00 0.00 C ATOM 0 H THR A 71 0.914 7.834 10.716 1.00 0.00 H new ATOM 0 HA THR A 71 -1.917 8.439 10.231 1.00 0.00 H new ATOM 0 HB THR A 71 -1.397 10.666 11.144 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.767 11.043 11.979 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.824 10.053 13.464 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.995 8.917 12.755 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.284 8.453 12.904 1.00 0.00 H new ATOM 1034 N HIS A 72 -1.396 10.377 8.475 1.00 0.00 N ATOM 1035 CA HIS A 72 -1.174 11.106 7.233 1.00 0.00 C ATOM 1036 C HIS A 72 0.193 11.781 7.261 1.00 0.00 C ATOM 1037 O HIS A 72 0.977 11.656 6.320 1.00 0.00 O ATOM 1038 CB HIS A 72 -2.284 12.156 7.037 1.00 0.00 C ATOM 1039 CG HIS A 72 -2.210 12.923 5.744 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -3.147 12.799 4.742 1.00 0.00 N ATOM 1041 CD2 HIS A 72 -1.313 13.835 5.296 1.00 0.00 C ATOM 1042 CE1 HIS A 72 -2.826 13.591 3.739 1.00 0.00 C ATOM 1043 NE2 HIS A 72 -1.719 14.233 4.048 1.00 0.00 N ATOM 0 H HIS A 72 -2.233 10.661 8.985 1.00 0.00 H new ATOM 0 HA HIS A 72 -1.200 10.405 6.398 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -3.251 11.656 7.091 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.245 12.864 7.865 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.439 14.184 5.825 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -3.379 13.696 2.817 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -1.242 14.914 3.457 1.00 0.00 H new ATOM 1052 N GLN A 73 0.482 12.458 8.367 1.00 0.00 N ATOM 1053 CA GLN A 73 1.714 13.222 8.506 1.00 0.00 C ATOM 1054 C GLN A 73 2.936 12.314 8.457 1.00 0.00 C ATOM 1055 O GLN A 73 3.894 12.594 7.730 1.00 0.00 O ATOM 1056 CB GLN A 73 1.709 14.002 9.818 1.00 0.00 C ATOM 1057 CG GLN A 73 2.885 14.951 9.953 1.00 0.00 C ATOM 1058 CD GLN A 73 3.015 15.517 11.349 1.00 0.00 C ATOM 1059 OE1 GLN A 73 2.430 16.553 11.669 1.00 0.00 O ATOM 1060 NE2 GLN A 73 3.794 14.853 12.190 1.00 0.00 N ATOM 0 H GLN A 73 -0.126 12.492 9.185 1.00 0.00 H new ATOM 0 HA GLN A 73 1.768 13.919 7.670 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.782 14.570 9.892 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.720 13.299 10.651 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.803 14.426 9.690 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.771 15.769 9.242 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.261 13.999 11.886 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.927 15.196 13.141 1.00 0.00 H new ATOM 1069 N GLN A 74 2.892 11.225 9.220 1.00 0.00 N ATOM 1070 CA GLN A 74 4.023 10.309 9.298 1.00 0.00 C ATOM 1071 C GLN A 74 4.317 9.707 7.935 1.00 0.00 C ATOM 1072 O GLN A 74 5.471 9.635 7.511 1.00 0.00 O ATOM 1073 CB GLN A 74 3.747 9.199 10.315 1.00 0.00 C ATOM 1074 CG GLN A 74 3.678 9.690 11.751 1.00 0.00 C ATOM 1075 CD GLN A 74 3.434 8.570 12.744 1.00 0.00 C ATOM 1076 OE1 GLN A 74 2.823 8.777 13.791 1.00 0.00 O ATOM 1077 NE2 GLN A 74 3.909 7.373 12.426 1.00 0.00 N ATOM 0 H GLN A 74 2.089 10.957 9.790 1.00 0.00 H new ATOM 0 HA GLN A 74 4.896 10.873 9.626 1.00 0.00 H new ATOM 0 HB2 GLN A 74 2.806 8.712 10.061 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.528 8.443 10.236 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.610 10.196 12.002 1.00 0.00 H new ATOM 0 HG3 GLN A 74 2.881 10.428 11.840 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.411 7.240 11.548 1.00 0.00 H new ATOM 0 HE22 GLN A 74 3.772 6.585 13.059 1.00 0.00 H new ATOM 1086 N VAL A 75 3.266 9.308 7.238 1.00 0.00 N ATOM 1087 CA VAL A 75 3.412 8.715 5.922 1.00 0.00 C ATOM 1088 C VAL A 75 3.937 9.728 4.904 1.00 0.00 C ATOM 1089 O VAL A 75 4.834 9.414 4.123 1.00 0.00 O ATOM 1090 CB VAL A 75 2.088 8.111 5.425 1.00 0.00 C ATOM 1091 CG1 VAL A 75 2.218 7.644 3.991 1.00 0.00 C ATOM 1092 CG2 VAL A 75 1.669 6.956 6.319 1.00 0.00 C ATOM 0 H VAL A 75 2.302 9.385 7.563 1.00 0.00 H new ATOM 0 HA VAL A 75 4.143 7.913 6.019 1.00 0.00 H new ATOM 0 HB VAL A 75 1.321 8.884 5.466 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.270 7.220 3.659 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.480 8.490 3.355 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.998 6.885 3.925 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.730 6.537 5.956 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.440 6.186 6.304 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.536 7.315 7.339 1.00 0.00 H new ATOM 1102 N VAL A 76 3.394 10.945 4.925 1.00 0.00 N ATOM 1103 CA VAL A 76 3.831 11.990 3.996 1.00 0.00 C ATOM 1104 C VAL A 76 5.327 12.252 4.141 1.00 0.00 C ATOM 1105 O VAL A 76 6.030 12.470 3.153 1.00 0.00 O ATOM 1106 CB VAL A 76 3.043 13.308 4.195 1.00 0.00 C ATOM 1107 CG1 VAL A 76 3.687 14.457 3.428 1.00 0.00 C ATOM 1108 CG2 VAL A 76 1.601 13.127 3.752 1.00 0.00 C ATOM 0 H VAL A 76 2.657 11.231 5.569 1.00 0.00 H new ATOM 0 HA VAL A 76 3.627 11.626 2.989 1.00 0.00 H new ATOM 0 HB VAL A 76 3.063 13.557 5.256 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.111 15.369 3.587 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.707 14.605 3.783 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.704 14.220 2.364 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.056 14.060 3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.576 12.852 2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.135 12.339 4.344 1.00 0.00 H new ATOM 1118 N SER A 77 5.813 12.197 5.374 1.00 0.00 N ATOM 1119 CA SER A 77 7.230 12.383 5.636 1.00 0.00 C ATOM 1120 C SER A 77 8.040 11.277 4.958 1.00 0.00 C ATOM 1121 O SER A 77 9.103 11.530 4.391 1.00 0.00 O ATOM 1122 CB SER A 77 7.488 12.391 7.144 1.00 0.00 C ATOM 1123 OG SER A 77 8.811 12.805 7.447 1.00 0.00 O ATOM 0 H SER A 77 5.247 12.025 6.205 1.00 0.00 H new ATOM 0 HA SER A 77 7.544 13.343 5.225 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.777 13.058 7.631 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.317 11.393 7.548 1.00 0.00 H new ATOM 0 HG SER A 77 8.941 12.800 8.418 1.00 0.00 H new ATOM 1129 N ARG A 78 7.511 10.057 4.994 1.00 0.00 N ATOM 1130 CA ARG A 78 8.159 8.915 4.360 1.00 0.00 C ATOM 1131 C ARG A 78 8.121 9.052 2.844 1.00 0.00 C ATOM 1132 O ARG A 78 9.058 8.658 2.150 1.00 0.00 O ATOM 1133 CB ARG A 78 7.483 7.607 4.776 1.00 0.00 C ATOM 1134 CG ARG A 78 7.357 7.433 6.278 1.00 0.00 C ATOM 1135 CD ARG A 78 6.937 6.020 6.633 1.00 0.00 C ATOM 1136 NE ARG A 78 6.721 5.846 8.069 1.00 0.00 N ATOM 1137 CZ ARG A 78 7.696 5.783 8.972 1.00 0.00 C ATOM 1138 NH1 ARG A 78 8.959 5.980 8.615 1.00 0.00 N ATOM 1139 NH2 ARG A 78 7.405 5.526 10.237 1.00 0.00 N ATOM 0 H ARG A 78 6.631 9.834 5.458 1.00 0.00 H new ATOM 0 HA ARG A 78 9.198 8.894 4.689 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.489 7.565 4.330 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.051 6.770 4.369 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.310 7.662 6.755 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.627 8.141 6.669 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.021 5.771 6.098 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.703 5.321 6.296 1.00 0.00 H new ATOM 0 HE ARG A 78 5.759 5.768 8.400 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.188 6.182 7.642 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.700 5.930 9.314 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.436 5.377 10.517 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.150 5.477 10.932 1.00 0.00 H new ATOM 1153 N ILE A 79 7.022 9.598 2.334 1.00 0.00 N ATOM 1154 CA ILE A 79 6.876 9.842 0.904 1.00 0.00 C ATOM 1155 C ILE A 79 7.918 10.848 0.427 1.00 0.00 C ATOM 1156 O ILE A 79 8.533 10.673 -0.624 1.00 0.00 O ATOM 1157 CB ILE A 79 5.464 10.371 0.563 1.00 0.00 C ATOM 1158 CG1 ILE A 79 4.397 9.380 1.032 1.00 0.00 C ATOM 1159 CG2 ILE A 79 5.334 10.619 -0.935 1.00 0.00 C ATOM 1160 CD1 ILE A 79 2.980 9.899 0.899 1.00 0.00 C ATOM 0 H ILE A 79 6.217 9.881 2.892 1.00 0.00 H new ATOM 0 HA ILE A 79 7.024 8.890 0.394 1.00 0.00 H new ATOM 0 HB ILE A 79 5.315 11.317 1.084 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.492 8.459 0.457 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.584 9.125 2.075 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.334 10.991 -1.157 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.073 11.357 -1.247 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.502 9.687 -1.474 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.280 9.141 1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.866 10.803 1.497 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.773 10.127 -0.147 1.00 0.00 H new ATOM 1172 N ARG A 80 8.122 11.895 1.221 1.00 0.00 N ATOM 1173 CA ARG A 80 9.108 12.923 0.901 1.00 0.00 C ATOM 1174 C ARG A 80 10.522 12.371 1.037 1.00 0.00 C ATOM 1175 O ARG A 80 11.456 12.884 0.427 1.00 0.00 O ATOM 1176 CB ARG A 80 8.937 14.142 1.812 1.00 0.00 C ATOM 1177 CG ARG A 80 7.585 14.821 1.684 1.00 0.00 C ATOM 1178 CD ARG A 80 7.331 15.291 0.263 1.00 0.00 C ATOM 1179 NE ARG A 80 6.052 15.988 0.138 1.00 0.00 N ATOM 1180 CZ ARG A 80 5.665 16.649 -0.950 1.00 0.00 C ATOM 1181 NH1 ARG A 80 6.462 16.720 -2.009 1.00 0.00 N ATOM 1182 NH2 ARG A 80 4.481 17.245 -0.976 1.00 0.00 N ATOM 0 H ARG A 80 7.617 12.054 2.093 1.00 0.00 H new ATOM 0 HA ARG A 80 8.947 13.232 -0.132 1.00 0.00 H new ATOM 0 HB2 ARG A 80 9.081 13.833 2.847 1.00 0.00 H new ATOM 0 HB3 ARG A 80 9.719 14.866 1.584 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.799 14.129 1.985 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.538 15.672 2.364 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.138 15.954 -0.049 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.344 14.434 -0.410 1.00 0.00 H new ATOM 0 HE ARG A 80 5.416 15.966 0.935 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.376 16.267 -1.991 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.161 17.228 -2.841 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.868 17.197 -0.162 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.183 17.752 -1.810 1.00 0.00 H new ATOM 1196 N ALA A 81 10.665 11.317 1.836 1.00 0.00 N ATOM 1197 CA ALA A 81 11.959 10.678 2.042 1.00 0.00 C ATOM 1198 C ALA A 81 12.408 9.925 0.793 1.00 0.00 C ATOM 1199 O ALA A 81 13.560 9.502 0.693 1.00 0.00 O ATOM 1200 CB ALA A 81 11.902 9.740 3.241 1.00 0.00 C ATOM 0 H ALA A 81 9.897 10.887 2.352 1.00 0.00 H new ATOM 0 HA ALA A 81 12.693 11.458 2.243 1.00 0.00 H new ATOM 0 HB1 ALA A 81 12.875 9.270 3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.640 10.307 4.134 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.150 8.971 3.066 1.00 0.00 H new ATOM 1206 N ALA A 82 11.492 9.741 -0.147 1.00 0.00 N ATOM 1207 CA ALA A 82 11.821 9.164 -1.435 1.00 0.00 C ATOM 1208 C ALA A 82 12.335 10.247 -2.373 1.00 0.00 C ATOM 1209 O ALA A 82 11.655 11.246 -2.622 1.00 0.00 O ATOM 1210 CB ALA A 82 10.604 8.481 -2.022 1.00 0.00 C ATOM 0 H ALA A 82 10.508 9.987 -0.036 1.00 0.00 H new ATOM 0 HA ALA A 82 12.606 8.419 -1.305 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.860 8.050 -2.990 1.00 0.00 H new ATOM 0 HB2 ALA A 82 10.271 7.690 -1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.804 9.210 -2.150 1.00 0.00 H new ATOM 1216 N LEU A 83 13.536 10.043 -2.886 1.00 0.00 N ATOM 1217 CA LEU A 83 14.208 11.048 -3.697 1.00 0.00 C ATOM 1218 C LEU A 83 13.787 10.954 -5.154 1.00 0.00 C ATOM 1219 O LEU A 83 13.191 11.881 -5.700 1.00 0.00 O ATOM 1220 CB LEU A 83 15.728 10.895 -3.594 1.00 0.00 C ATOM 1221 CG LEU A 83 16.373 11.410 -2.299 1.00 0.00 C ATOM 1222 CD1 LEU A 83 15.957 10.578 -1.098 1.00 0.00 C ATOM 1223 CD2 LEU A 83 17.885 11.414 -2.431 1.00 0.00 C ATOM 0 H LEU A 83 14.071 9.184 -2.755 1.00 0.00 H new ATOM 0 HA LEU A 83 13.917 12.026 -3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 83 15.975 9.839 -3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 83 16.183 11.418 -4.435 1.00 0.00 H new ATOM 0 HG LEU A 83 16.023 12.429 -2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 83 16.433 10.972 -0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 83 14.874 10.621 -0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 83 16.265 9.543 -1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 83 18.330 11.781 -1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 83 18.236 10.400 -2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 83 18.176 12.063 -3.257 1.00 0.00 H new ATOM 1235 N ASN A 84 14.119 9.840 -5.786 1.00 0.00 N ATOM 1236 CA ASN A 84 13.788 9.639 -7.189 1.00 0.00 C ATOM 1237 C ASN A 84 12.614 8.692 -7.338 1.00 0.00 C ATOM 1238 O ASN A 84 11.869 8.771 -8.307 1.00 0.00 O ATOM 1239 CB ASN A 84 14.988 9.088 -7.970 1.00 0.00 C ATOM 1240 CG ASN A 84 16.110 10.094 -8.128 1.00 0.00 C ATOM 1241 OD1 ASN A 84 16.144 10.863 -9.089 1.00 0.00 O ATOM 1242 ND2 ASN A 84 17.044 10.087 -7.193 1.00 0.00 N ATOM 0 H ASN A 84 14.616 9.062 -5.352 1.00 0.00 H new ATOM 0 HA ASN A 84 13.518 10.612 -7.599 1.00 0.00 H new ATOM 0 HB2 ASN A 84 15.370 8.204 -7.460 1.00 0.00 H new ATOM 0 HB3 ASN A 84 14.655 8.767 -8.957 1.00 0.00 H new ATOM 0 HD21 ASN A 84 17.830 10.735 -7.252 1.00 0.00 H new ATOM 0 HD22 ASN A 84 16.979 9.434 -6.412 1.00 0.00 H new ATOM 1249 N ALA A 85 12.461 7.785 -6.385 1.00 0.00 N ATOM 1250 CA ALA A 85 11.393 6.797 -6.453 1.00 0.00 C ATOM 1251 C ALA A 85 10.970 6.338 -5.067 1.00 0.00 C ATOM 1252 O ALA A 85 11.767 6.350 -4.129 1.00 0.00 O ATOM 1253 CB ALA A 85 11.824 5.612 -7.299 1.00 0.00 C ATOM 0 H ALA A 85 13.058 7.712 -5.561 1.00 0.00 H new ATOM 0 HA ALA A 85 10.530 7.269 -6.922 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.016 4.882 -7.341 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.059 5.951 -8.308 1.00 0.00 H new ATOM 0 HB3 ALA A 85 12.707 5.151 -6.856 1.00 0.00 H new ATOM 1259 N VAL A 86 9.718 5.919 -4.949 1.00 0.00 N ATOM 1260 CA VAL A 86 9.184 5.425 -3.689 1.00 0.00 C ATOM 1261 C VAL A 86 8.536 4.053 -3.907 1.00 0.00 C ATOM 1262 O VAL A 86 7.992 3.780 -4.980 1.00 0.00 O ATOM 1263 CB VAL A 86 8.151 6.410 -3.079 1.00 0.00 C ATOM 1264 CG1 VAL A 86 6.897 6.498 -3.934 1.00 0.00 C ATOM 1265 CG2 VAL A 86 7.805 6.024 -1.647 1.00 0.00 C ATOM 0 H VAL A 86 9.048 5.912 -5.718 1.00 0.00 H new ATOM 0 HA VAL A 86 10.010 5.334 -2.984 1.00 0.00 H new ATOM 0 HB VAL A 86 8.611 7.398 -3.061 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.194 7.196 -3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.161 6.848 -4.932 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.435 5.513 -4.005 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.080 6.731 -1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.380 5.020 -1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.708 6.044 -1.037 1.00 0.00 H new ATOM 1275 N ARG A 87 8.617 3.183 -2.910 1.00 0.00 N ATOM 1276 CA ARG A 87 8.002 1.863 -3.003 1.00 0.00 C ATOM 1277 C ARG A 87 6.845 1.770 -2.021 1.00 0.00 C ATOM 1278 O ARG A 87 7.046 1.826 -0.808 1.00 0.00 O ATOM 1279 CB ARG A 87 9.017 0.743 -2.721 1.00 0.00 C ATOM 1280 CG ARG A 87 10.275 0.808 -3.577 1.00 0.00 C ATOM 1281 CD ARG A 87 11.345 1.663 -2.923 1.00 0.00 C ATOM 1282 NE ARG A 87 12.473 1.925 -3.818 1.00 0.00 N ATOM 1283 CZ ARG A 87 13.751 1.930 -3.426 1.00 0.00 C ATOM 1284 NH1 ARG A 87 14.064 1.671 -2.161 1.00 0.00 N ATOM 1285 NH2 ARG A 87 14.712 2.188 -4.303 1.00 0.00 N ATOM 0 H ARG A 87 9.100 3.365 -2.030 1.00 0.00 H new ATOM 0 HA ARG A 87 7.636 1.732 -4.021 1.00 0.00 H new ATOM 0 HB2 ARG A 87 9.304 0.785 -1.670 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.532 -0.220 -2.881 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.660 -0.199 -3.738 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.029 1.216 -4.557 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.907 2.610 -2.608 1.00 0.00 H new ATOM 0 HD3 ARG A 87 11.706 1.164 -2.024 1.00 0.00 H new ATOM 0 HE ARG A 87 12.272 2.115 -4.800 1.00 0.00 H new ATOM 0 HH11 ARG A 87 13.328 1.467 -1.485 1.00 0.00 H new ATOM 0 HH12 ARG A 87 15.040 1.676 -1.866 1.00 0.00 H new ATOM 0 HH21 ARG A 87 14.476 2.382 -5.276 1.00 0.00 H new ATOM 0 HH22 ARG A 87 15.687 2.192 -4.004 1.00 0.00 H new ATOM 1299 N LEU A 88 5.637 1.645 -2.547 1.00 0.00 N ATOM 1300 CA LEU A 88 4.442 1.639 -1.716 1.00 0.00 C ATOM 1301 C LEU A 88 3.737 0.287 -1.773 1.00 0.00 C ATOM 1302 O LEU A 88 3.421 -0.213 -2.850 1.00 0.00 O ATOM 1303 CB LEU A 88 3.481 2.742 -2.173 1.00 0.00 C ATOM 1304 CG LEU A 88 4.059 4.159 -2.153 1.00 0.00 C ATOM 1305 CD1 LEU A 88 3.054 5.156 -2.703 1.00 0.00 C ATOM 1306 CD2 LEU A 88 4.474 4.550 -0.746 1.00 0.00 C ATOM 0 H LEU A 88 5.457 1.546 -3.546 1.00 0.00 H new ATOM 0 HA LEU A 88 4.747 1.823 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.150 2.516 -3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.597 2.718 -1.536 1.00 0.00 H new ATOM 0 HG LEU A 88 4.943 4.173 -2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.485 6.157 -2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.805 4.892 -3.731 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.150 5.136 -2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.882 5.561 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.606 4.515 -0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.232 3.856 -0.384 1.00 0.00 H new ATOM 1318 N LEU A 89 3.498 -0.298 -0.612 1.00 0.00 N ATOM 1319 CA LEU A 89 2.760 -1.549 -0.519 1.00 0.00 C ATOM 1320 C LEU A 89 1.301 -1.227 -0.243 1.00 0.00 C ATOM 1321 O LEU A 89 0.989 -0.598 0.765 1.00 0.00 O ATOM 1322 CB LEU A 89 3.327 -2.412 0.614 1.00 0.00 C ATOM 1323 CG LEU A 89 3.182 -3.935 0.465 1.00 0.00 C ATOM 1324 CD1 LEU A 89 1.749 -4.369 0.232 1.00 0.00 C ATOM 1325 CD2 LEU A 89 4.080 -4.453 -0.638 1.00 0.00 C ATOM 0 H LEU A 89 3.806 0.075 0.286 1.00 0.00 H new ATOM 0 HA LEU A 89 2.851 -2.103 -1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.387 -2.180 0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.842 -2.114 1.543 1.00 0.00 H new ATOM 0 HG LEU A 89 3.494 -4.372 1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.709 -5.454 0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.133 -4.057 1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.373 -3.908 -0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.962 -5.533 -0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.808 -3.980 -1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.118 -4.220 -0.402 1.00 0.00 H new ATOM 1337 N VAL A 90 0.416 -1.634 -1.137 1.00 0.00 N ATOM 1338 CA VAL A 90 -1.006 -1.355 -0.971 1.00 0.00 C ATOM 1339 C VAL A 90 -1.847 -2.597 -1.214 1.00 0.00 C ATOM 1340 O VAL A 90 -1.393 -3.556 -1.843 1.00 0.00 O ATOM 1341 CB VAL A 90 -1.508 -0.225 -1.902 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -0.877 1.110 -1.542 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -1.255 -0.567 -3.365 1.00 0.00 C ATOM 0 H VAL A 90 0.652 -2.156 -1.981 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.121 -1.026 0.062 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.585 -0.134 -1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.251 1.882 -2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.134 1.368 -0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.206 1.038 -1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.618 0.244 -3.996 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.186 -0.703 -3.527 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.780 -1.487 -3.620 1.00 0.00 H new ATOM 1353 N VAL A 91 -3.069 -2.568 -0.701 1.00 0.00 N ATOM 1354 CA VAL A 91 -4.005 -3.666 -0.863 1.00 0.00 C ATOM 1355 C VAL A 91 -5.440 -3.138 -0.925 1.00 0.00 C ATOM 1356 O VAL A 91 -5.779 -2.158 -0.255 1.00 0.00 O ATOM 1357 CB VAL A 91 -3.870 -4.691 0.294 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -4.230 -4.064 1.637 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -4.722 -5.926 0.031 1.00 0.00 C ATOM 0 H VAL A 91 -3.437 -1.784 -0.162 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.769 -4.171 -1.799 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.826 -5.000 0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.125 -4.809 2.426 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.563 -3.226 1.838 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.260 -3.709 1.608 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.609 -6.628 0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.769 -5.634 -0.057 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.399 -6.400 -0.896 1.00 0.00 H new ATOM 1369 N ASP A 92 -6.261 -3.772 -1.756 1.00 0.00 N ATOM 1370 CA ASP A 92 -7.684 -3.450 -1.844 1.00 0.00 C ATOM 1371 C ASP A 92 -8.396 -3.837 -0.549 1.00 0.00 C ATOM 1372 O ASP A 92 -8.296 -4.975 -0.102 1.00 0.00 O ATOM 1373 CB ASP A 92 -8.318 -4.185 -3.028 1.00 0.00 C ATOM 1374 CG ASP A 92 -9.833 -4.209 -2.957 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -10.470 -3.207 -3.343 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -10.390 -5.234 -2.513 1.00 0.00 O ATOM 0 H ASP A 92 -5.963 -4.519 -2.384 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.789 -2.376 -1.996 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.009 -3.705 -3.956 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -7.943 -5.208 -3.058 1.00 0.00 H new ATOM 1381 N PRO A 93 -9.127 -2.882 0.056 1.00 0.00 N ATOM 1382 CA PRO A 93 -9.771 -3.057 1.369 1.00 0.00 C ATOM 1383 C PRO A 93 -10.776 -4.206 1.419 1.00 0.00 C ATOM 1384 O PRO A 93 -10.946 -4.838 2.461 1.00 0.00 O ATOM 1385 CB PRO A 93 -10.490 -1.726 1.604 1.00 0.00 C ATOM 1386 CG PRO A 93 -9.805 -0.755 0.711 1.00 0.00 C ATOM 1387 CD PRO A 93 -9.379 -1.540 -0.493 1.00 0.00 C ATOM 0 HA PRO A 93 -9.029 -3.310 2.127 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -11.550 -1.803 1.364 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -10.421 -1.419 2.648 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -10.474 0.059 0.431 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -8.946 -0.304 1.208 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.155 -1.557 -1.259 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.486 -1.119 -0.954 1.00 0.00 H new ATOM 1395 N GLU A 94 -11.458 -4.465 0.310 1.00 0.00 N ATOM 1396 CA GLU A 94 -12.425 -5.556 0.255 1.00 0.00 C ATOM 1397 C GLU A 94 -11.703 -6.896 0.249 1.00 0.00 C ATOM 1398 O GLU A 94 -12.115 -7.846 0.917 1.00 0.00 O ATOM 1399 CB GLU A 94 -13.323 -5.428 -0.978 1.00 0.00 C ATOM 1400 CG GLU A 94 -14.179 -4.174 -0.969 1.00 0.00 C ATOM 1401 CD GLU A 94 -14.977 -4.036 0.308 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -15.859 -4.880 0.557 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -14.720 -3.087 1.077 1.00 0.00 O ATOM 0 H GLU A 94 -11.361 -3.939 -0.558 1.00 0.00 H new ATOM 0 HA GLU A 94 -13.057 -5.500 1.141 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -12.701 -5.429 -1.873 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -13.971 -6.302 -1.039 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -13.540 -3.299 -1.093 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -14.860 -4.195 -1.820 1.00 0.00 H new ATOM 1410 N THR A 95 -10.620 -6.958 -0.504 1.00 0.00 N ATOM 1411 CA THR A 95 -9.785 -8.141 -0.545 1.00 0.00 C ATOM 1412 C THR A 95 -9.051 -8.317 0.783 1.00 0.00 C ATOM 1413 O THR A 95 -8.930 -9.427 1.297 1.00 0.00 O ATOM 1414 CB THR A 95 -8.764 -8.047 -1.691 1.00 0.00 C ATOM 1415 OG1 THR A 95 -9.444 -7.759 -2.923 1.00 0.00 O ATOM 1416 CG2 THR A 95 -7.988 -9.343 -1.828 1.00 0.00 C ATOM 0 H THR A 95 -10.298 -6.195 -1.100 1.00 0.00 H new ATOM 0 HA THR A 95 -10.428 -9.004 -0.718 1.00 0.00 H new ATOM 0 HB THR A 95 -8.062 -7.245 -1.464 1.00 0.00 H new ATOM 0 HG1 THR A 95 -9.802 -6.847 -2.893 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.272 -9.254 -2.645 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.456 -9.548 -0.899 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.678 -10.160 -2.039 1.00 0.00 H new ATOM 1424 N ASP A 96 -8.597 -7.200 1.343 1.00 0.00 N ATOM 1425 CA ASP A 96 -7.876 -7.194 2.616 1.00 0.00 C ATOM 1426 C ASP A 96 -8.724 -7.802 3.724 1.00 0.00 C ATOM 1427 O ASP A 96 -8.209 -8.469 4.625 1.00 0.00 O ATOM 1428 CB ASP A 96 -7.491 -5.765 2.991 1.00 0.00 C ATOM 1429 CG ASP A 96 -6.886 -5.679 4.375 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -5.667 -5.892 4.504 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -7.630 -5.379 5.338 1.00 0.00 O ATOM 0 H ASP A 96 -8.717 -6.275 0.930 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.975 -7.796 2.499 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -6.779 -5.379 2.261 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.374 -5.128 2.943 1.00 0.00 H new ATOM 1436 N GLU A 97 -10.032 -7.592 3.625 1.00 0.00 N ATOM 1437 CA GLU A 97 -10.976 -8.136 4.587 1.00 0.00 C ATOM 1438 C GLU A 97 -10.838 -9.656 4.643 1.00 0.00 C ATOM 1439 O GLU A 97 -10.872 -10.256 5.717 1.00 0.00 O ATOM 1440 CB GLU A 97 -12.394 -7.730 4.186 1.00 0.00 C ATOM 1441 CG GLU A 97 -13.457 -8.128 5.187 1.00 0.00 C ATOM 1442 CD GLU A 97 -13.157 -7.648 6.591 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -13.406 -6.466 6.887 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -12.681 -8.459 7.406 1.00 0.00 O ATOM 0 H GLU A 97 -10.463 -7.044 2.881 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.766 -7.738 5.580 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -12.426 -6.649 4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -12.631 -8.181 3.222 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -14.418 -7.724 4.868 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -13.554 -9.214 5.193 1.00 0.00 H new ATOM 1451 N GLN A 98 -10.662 -10.270 3.479 1.00 0.00 N ATOM 1452 CA GLN A 98 -10.375 -11.695 3.403 1.00 0.00 C ATOM 1453 C GLN A 98 -8.951 -11.990 3.856 1.00 0.00 C ATOM 1454 O GLN A 98 -8.725 -12.844 4.710 1.00 0.00 O ATOM 1455 CB GLN A 98 -10.524 -12.202 1.971 1.00 0.00 C ATOM 1456 CG GLN A 98 -11.951 -12.261 1.478 1.00 0.00 C ATOM 1457 CD GLN A 98 -12.039 -12.723 0.040 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -11.153 -12.452 -0.765 1.00 0.00 O ATOM 1459 NE2 GLN A 98 -13.103 -13.428 -0.287 1.00 0.00 N ATOM 0 H GLN A 98 -10.713 -9.802 2.574 1.00 0.00 H new ATOM 0 HA GLN A 98 -11.087 -12.199 4.057 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -9.949 -11.556 1.308 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -10.087 -13.198 1.903 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -12.525 -12.938 2.111 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -12.407 -11.275 1.570 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -13.816 -13.630 0.414 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -13.214 -13.771 -1.241 1.00 0.00 H new ATOM 1468 N LEU A 99 -8.009 -11.233 3.308 1.00 0.00 N ATOM 1469 CA LEU A 99 -6.590 -11.558 3.411 1.00 0.00 C ATOM 1470 C LEU A 99 -6.095 -11.550 4.854 1.00 0.00 C ATOM 1471 O LEU A 99 -5.352 -12.443 5.263 1.00 0.00 O ATOM 1472 CB LEU A 99 -5.763 -10.594 2.561 1.00 0.00 C ATOM 1473 CG LEU A 99 -6.179 -10.506 1.089 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -5.160 -9.705 0.299 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -6.368 -11.894 0.481 1.00 0.00 C ATOM 0 H LEU A 99 -8.204 -10.381 2.782 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.464 -12.573 3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.828 -9.599 3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.717 -10.897 2.610 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.139 -9.992 1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.469 -9.651 -0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.092 -8.698 0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.186 -10.190 0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.663 -11.796 -0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.432 -12.449 0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.144 -12.429 1.029 1.00 0.00 H new ATOM 1487 N GLN A 100 -6.513 -10.554 5.626 1.00 0.00 N ATOM 1488 CA GLN A 100 -6.096 -10.453 7.019 1.00 0.00 C ATOM 1489 C GLN A 100 -6.619 -11.635 7.829 1.00 0.00 C ATOM 1490 O GLN A 100 -5.950 -12.118 8.743 1.00 0.00 O ATOM 1491 CB GLN A 100 -6.570 -9.145 7.651 1.00 0.00 C ATOM 1492 CG GLN A 100 -5.990 -7.893 7.012 1.00 0.00 C ATOM 1493 CD GLN A 100 -4.472 -7.874 6.995 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -3.811 -8.473 7.849 1.00 0.00 O ATOM 1495 NE2 GLN A 100 -3.911 -7.166 6.032 1.00 0.00 N ATOM 0 H GLN A 100 -7.136 -9.809 5.314 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.006 -10.467 7.032 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.657 -9.099 7.590 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -6.310 -9.152 8.710 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.359 -7.812 5.989 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -6.351 -7.018 7.552 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -4.494 -6.686 5.346 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -2.895 -7.099 5.974 1.00 0.00 H new ATOM 1504 N LYS A 101 -7.821 -12.089 7.494 1.00 0.00 N ATOM 1505 CA LYS A 101 -8.419 -13.227 8.176 1.00 0.00 C ATOM 1506 C LYS A 101 -7.695 -14.509 7.782 1.00 0.00 C ATOM 1507 O LYS A 101 -7.513 -15.408 8.603 1.00 0.00 O ATOM 1508 CB LYS A 101 -9.908 -13.340 7.837 1.00 0.00 C ATOM 1509 CG LYS A 101 -10.714 -12.093 8.171 1.00 0.00 C ATOM 1510 CD LYS A 101 -10.608 -11.728 9.640 1.00 0.00 C ATOM 1511 CE LYS A 101 -11.471 -10.523 9.982 1.00 0.00 C ATOM 1512 NZ LYS A 101 -11.057 -9.300 9.243 1.00 0.00 N ATOM 0 H LYS A 101 -8.398 -11.687 6.756 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.321 -13.076 9.251 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.013 -13.554 6.773 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.330 -14.188 8.376 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.362 -11.259 7.563 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.760 -12.257 7.912 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -10.912 -12.579 10.250 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.568 -11.514 9.888 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.512 -10.748 9.752 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.416 -10.333 11.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.225 -8.462 9.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -10.045 -9.361 9.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.610 -9.220 8.366 1.00 0.00 H new ATOM 1526 N LEU A 102 -7.277 -14.574 6.523 1.00 0.00 N ATOM 1527 CA LEU A 102 -6.539 -15.721 6.017 1.00 0.00 C ATOM 1528 C LEU A 102 -5.205 -15.855 6.750 1.00 0.00 C ATOM 1529 O LEU A 102 -4.943 -16.873 7.395 1.00 0.00 O ATOM 1530 CB LEU A 102 -6.319 -15.586 4.504 1.00 0.00 C ATOM 1531 CG LEU A 102 -7.598 -15.386 3.676 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -7.268 -15.147 2.210 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -8.530 -16.581 3.820 1.00 0.00 C ATOM 0 H LEU A 102 -7.439 -13.841 5.832 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.122 -16.624 6.198 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -5.652 -14.743 4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.808 -16.480 4.145 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.107 -14.502 4.061 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.191 -15.009 1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.649 -14.255 2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.727 -16.006 1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -9.428 -16.416 3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.024 -17.481 3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.806 -16.703 4.867 1.00 0.00 H new ATOM 1545 N GLY A 103 -4.374 -14.823 6.661 1.00 0.00 N ATOM 1546 CA GLY A 103 -3.140 -14.795 7.395 1.00 0.00 C ATOM 1547 C GLY A 103 -2.053 -14.085 6.627 1.00 0.00 C ATOM 1548 O GLY A 103 -2.334 -13.247 5.770 1.00 0.00 O ATOM 0 H GLY A 103 -4.544 -13.999 6.084 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.296 -14.296 8.351 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.824 -15.815 7.616 1.00 0.00 H new ATOM 1552 N VAL A 104 -0.821 -14.449 6.938 1.00 0.00 N ATOM 1553 CA VAL A 104 0.378 -13.922 6.278 1.00 0.00 C ATOM 1554 C VAL A 104 0.602 -12.431 6.570 1.00 0.00 C ATOM 1555 O VAL A 104 -0.344 -11.662 6.748 1.00 0.00 O ATOM 1556 CB VAL A 104 0.305 -14.161 4.755 1.00 0.00 C ATOM 1557 CG1 VAL A 104 1.481 -13.528 4.030 1.00 0.00 C ATOM 1558 CG2 VAL A 104 0.240 -15.652 4.453 1.00 0.00 C ATOM 0 H VAL A 104 -0.614 -15.131 7.668 1.00 0.00 H new ATOM 0 HA VAL A 104 1.230 -14.463 6.689 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.605 -13.684 4.391 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.394 -13.718 2.960 1.00 0.00 H new ATOM 0 HG12 VAL A 104 1.483 -12.453 4.209 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.411 -13.959 4.400 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.189 -15.803 3.375 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.131 -16.142 4.846 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.646 -16.080 4.922 1.00 0.00 H new ATOM 1568 N GLN A 105 1.868 -12.030 6.640 1.00 0.00 N ATOM 1569 CA GLN A 105 2.212 -10.628 6.825 1.00 0.00 C ATOM 1570 C GLN A 105 2.144 -9.896 5.486 1.00 0.00 C ATOM 1571 O GLN A 105 3.123 -9.817 4.741 1.00 0.00 O ATOM 1572 CB GLN A 105 3.599 -10.481 7.455 1.00 0.00 C ATOM 1573 CG GLN A 105 3.742 -11.204 8.786 1.00 0.00 C ATOM 1574 CD GLN A 105 2.743 -10.740 9.835 1.00 0.00 C ATOM 1575 OE1 GLN A 105 2.330 -11.513 10.694 1.00 0.00 O ATOM 1576 NE2 GLN A 105 2.357 -9.474 9.786 1.00 0.00 N ATOM 0 H GLN A 105 2.670 -12.657 6.571 1.00 0.00 H new ATOM 0 HA GLN A 105 1.490 -10.180 7.508 1.00 0.00 H new ATOM 0 HB2 GLN A 105 4.347 -10.864 6.761 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.812 -9.422 7.601 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.618 -12.275 8.625 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.753 -11.054 9.166 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.720 -8.858 9.058 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.697 -9.115 10.476 1.00 0.00 H new ATOM 1585 N VAL A 106 0.972 -9.344 5.218 1.00 0.00 N ATOM 1586 CA VAL A 106 0.621 -8.757 3.927 1.00 0.00 C ATOM 1587 C VAL A 106 1.594 -7.669 3.450 1.00 0.00 C ATOM 1588 O VAL A 106 1.737 -7.453 2.245 1.00 0.00 O ATOM 1589 CB VAL A 106 -0.830 -8.204 4.004 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -0.973 -6.827 3.357 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -1.801 -9.198 3.382 1.00 0.00 C ATOM 0 H VAL A 106 0.219 -9.288 5.904 1.00 0.00 H new ATOM 0 HA VAL A 106 0.692 -9.550 3.182 1.00 0.00 H new ATOM 0 HB VAL A 106 -1.072 -8.075 5.059 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.007 -6.491 3.441 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.319 -6.117 3.863 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -0.696 -6.889 2.305 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -2.815 -8.802 3.441 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -1.535 -9.361 2.338 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -1.749 -10.144 3.922 1.00 0.00 H new ATOM 1601 N ARG A 107 2.291 -7.020 4.379 1.00 0.00 N ATOM 1602 CA ARG A 107 3.084 -5.837 4.041 1.00 0.00 C ATOM 1603 C ARG A 107 4.271 -6.144 3.124 1.00 0.00 C ATOM 1604 O ARG A 107 4.811 -5.228 2.514 1.00 0.00 O ATOM 1605 CB ARG A 107 3.572 -5.108 5.298 1.00 0.00 C ATOM 1606 CG ARG A 107 4.617 -5.856 6.111 1.00 0.00 C ATOM 1607 CD ARG A 107 5.184 -4.956 7.194 1.00 0.00 C ATOM 1608 NE ARG A 107 6.218 -5.605 7.999 1.00 0.00 N ATOM 1609 CZ ARG A 107 7.305 -4.971 8.443 1.00 0.00 C ATOM 1610 NH1 ARG A 107 7.596 -3.756 7.991 1.00 0.00 N ATOM 1611 NH2 ARG A 107 8.128 -5.572 9.294 1.00 0.00 N ATOM 0 H ARG A 107 2.325 -7.288 5.363 1.00 0.00 H new ATOM 0 HA ARG A 107 2.409 -5.184 3.488 1.00 0.00 H new ATOM 0 HB2 ARG A 107 3.985 -4.144 5.003 1.00 0.00 H new ATOM 0 HB3 ARG A 107 2.713 -4.904 5.938 1.00 0.00 H new ATOM 0 HG2 ARG A 107 4.171 -6.743 6.562 1.00 0.00 H new ATOM 0 HG3 ARG A 107 5.419 -6.200 5.457 1.00 0.00 H new ATOM 0 HD2 ARG A 107 5.601 -4.061 6.732 1.00 0.00 H new ATOM 0 HD3 ARG A 107 4.375 -4.630 7.848 1.00 0.00 H new ATOM 0 HE ARG A 107 6.103 -6.591 8.233 1.00 0.00 H new ATOM 0 HH11 ARG A 107 6.989 -3.308 7.305 1.00 0.00 H new ATOM 0 HH12 ARG A 107 8.427 -3.271 8.330 1.00 0.00 H new ATOM 0 HH21 ARG A 107 7.930 -6.521 9.610 1.00 0.00 H new ATOM 0 HH22 ARG A 107 8.958 -5.084 9.631 1.00 0.00 H new ATOM 1625 N GLU A 108 4.682 -7.413 3.023 1.00 0.00 N ATOM 1626 CA GLU A 108 5.764 -7.780 2.097 1.00 0.00 C ATOM 1627 C GLU A 108 6.087 -9.278 2.129 1.00 0.00 C ATOM 1628 O GLU A 108 6.793 -9.777 1.251 1.00 0.00 O ATOM 1629 CB GLU A 108 7.046 -7.000 2.414 1.00 0.00 C ATOM 1630 CG GLU A 108 8.152 -7.194 1.387 1.00 0.00 C ATOM 1631 CD GLU A 108 9.476 -6.625 1.841 1.00 0.00 C ATOM 1632 OE1 GLU A 108 10.130 -7.255 2.697 1.00 0.00 O ATOM 1633 OE2 GLU A 108 9.869 -5.551 1.353 1.00 0.00 O ATOM 0 H GLU A 108 4.293 -8.190 3.558 1.00 0.00 H new ATOM 0 HA GLU A 108 5.403 -7.525 1.101 1.00 0.00 H new ATOM 0 HB2 GLU A 108 6.807 -5.939 2.481 1.00 0.00 H new ATOM 0 HB3 GLU A 108 7.414 -7.307 3.393 1.00 0.00 H new ATOM 0 HG2 GLU A 108 8.270 -8.258 1.182 1.00 0.00 H new ATOM 0 HG3 GLU A 108 7.860 -6.720 0.450 1.00 0.00 H new ATOM 1640 N GLU A 109 5.583 -9.998 3.130 1.00 0.00 N ATOM 1641 CA GLU A 109 5.915 -11.418 3.292 1.00 0.00 C ATOM 1642 C GLU A 109 5.587 -12.206 2.021 1.00 0.00 C ATOM 1643 O GLU A 109 6.329 -13.100 1.620 1.00 0.00 O ATOM 1644 CB GLU A 109 5.174 -11.999 4.500 1.00 0.00 C ATOM 1645 CG GLU A 109 5.509 -13.449 4.801 1.00 0.00 C ATOM 1646 CD GLU A 109 5.026 -13.878 6.171 1.00 0.00 C ATOM 1647 OE1 GLU A 109 3.801 -14.037 6.356 1.00 0.00 O ATOM 1648 OE2 GLU A 109 5.873 -14.035 7.078 1.00 0.00 O ATOM 0 H GLU A 109 4.948 -9.628 3.837 1.00 0.00 H new ATOM 0 HA GLU A 109 6.987 -11.504 3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 109 5.405 -11.395 5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.101 -11.914 4.328 1.00 0.00 H new ATOM 0 HG2 GLU A 109 5.058 -14.089 4.042 1.00 0.00 H new ATOM 0 HG3 GLU A 109 6.588 -13.591 4.738 1.00 0.00 H new ATOM 1655 N LEU A 110 4.491 -11.840 1.377 1.00 0.00 N ATOM 1656 CA LEU A 110 4.111 -12.444 0.107 1.00 0.00 C ATOM 1657 C LEU A 110 5.014 -11.959 -1.023 1.00 0.00 C ATOM 1658 O LEU A 110 5.428 -12.735 -1.880 1.00 0.00 O ATOM 1659 CB LEU A 110 2.662 -12.091 -0.219 1.00 0.00 C ATOM 1660 CG LEU A 110 1.615 -12.724 0.687 1.00 0.00 C ATOM 1661 CD1 LEU A 110 0.293 -11.994 0.542 1.00 0.00 C ATOM 1662 CD2 LEU A 110 1.447 -14.198 0.355 1.00 0.00 C ATOM 0 H LEU A 110 3.846 -11.125 1.713 1.00 0.00 H new ATOM 0 HA LEU A 110 4.219 -13.525 0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 110 2.551 -11.008 -0.173 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.456 -12.389 -1.247 1.00 0.00 H new ATOM 0 HG LEU A 110 1.950 -12.641 1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -0.450 -12.454 1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 110 0.422 -10.948 0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.045 -12.055 -0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.695 -14.635 1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.129 -14.303 -0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.397 -14.714 0.497 1.00 0.00 H new ATOM 1674 N LEU A 111 5.343 -10.677 -0.985 1.00 0.00 N ATOM 1675 CA LEU A 111 6.055 -10.020 -2.075 1.00 0.00 C ATOM 1676 C LEU A 111 7.478 -10.547 -2.225 1.00 0.00 C ATOM 1677 O LEU A 111 7.990 -10.662 -3.337 1.00 0.00 O ATOM 1678 CB LEU A 111 6.077 -8.502 -1.863 1.00 0.00 C ATOM 1679 CG LEU A 111 4.742 -7.784 -2.104 1.00 0.00 C ATOM 1680 CD1 LEU A 111 4.166 -8.174 -3.452 1.00 0.00 C ATOM 1681 CD2 LEU A 111 3.740 -8.069 -0.993 1.00 0.00 C ATOM 0 H LEU A 111 5.126 -10.062 -0.201 1.00 0.00 H new ATOM 0 HA LEU A 111 5.518 -10.247 -2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.400 -8.300 -0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.827 -8.070 -2.526 1.00 0.00 H new ATOM 0 HG LEU A 111 4.939 -6.712 -2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 111 3.220 -7.656 -3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 111 4.865 -7.896 -4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.999 -9.251 -3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.808 -7.543 -1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.548 -9.141 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.146 -7.727 -0.041 1.00 0.00 H new ATOM 1693 N ARG A 112 8.113 -10.866 -1.109 1.00 0.00 N ATOM 1694 CA ARG A 112 9.473 -11.391 -1.140 1.00 0.00 C ATOM 1695 C ARG A 112 9.481 -12.858 -1.558 1.00 0.00 C ATOM 1696 O ARG A 112 10.429 -13.332 -2.182 1.00 0.00 O ATOM 1697 CB ARG A 112 10.145 -11.224 0.226 1.00 0.00 C ATOM 1698 CG ARG A 112 9.372 -11.852 1.377 1.00 0.00 C ATOM 1699 CD ARG A 112 10.145 -11.764 2.681 1.00 0.00 C ATOM 1700 NE ARG A 112 10.511 -10.387 3.018 1.00 0.00 N ATOM 1701 CZ ARG A 112 11.360 -10.058 3.991 1.00 0.00 C ATOM 1702 NH1 ARG A 112 11.883 -10.991 4.777 1.00 0.00 N ATOM 1703 NH2 ARG A 112 11.669 -8.789 4.190 1.00 0.00 N ATOM 0 H ARG A 112 7.714 -10.772 -0.175 1.00 0.00 H new ATOM 0 HA ARG A 112 10.038 -10.822 -1.879 1.00 0.00 H new ATOM 0 HB2 ARG A 112 11.140 -11.666 0.186 1.00 0.00 H new ATOM 0 HB3 ARG A 112 10.276 -10.161 0.427 1.00 0.00 H new ATOM 0 HG2 ARG A 112 8.411 -11.350 1.488 1.00 0.00 H new ATOM 0 HG3 ARG A 112 9.161 -12.897 1.148 1.00 0.00 H new ATOM 0 HD2 ARG A 112 9.543 -12.185 3.487 1.00 0.00 H new ATOM 0 HD3 ARG A 112 11.048 -12.370 2.607 1.00 0.00 H new ATOM 0 HE ARG A 112 10.090 -9.633 2.475 1.00 0.00 H new ATOM 0 HH11 ARG A 112 11.636 -11.971 4.639 1.00 0.00 H new ATOM 0 HH12 ARG A 112 12.532 -10.728 5.519 1.00 0.00 H new ATOM 0 HH21 ARG A 112 11.258 -8.065 3.600 1.00 0.00 H new ATOM 0 HH22 ARG A 112 12.318 -8.533 4.934 1.00 0.00 H new ATOM 1717 N ALA A 113 8.409 -13.565 -1.230 1.00 0.00 N ATOM 1718 CA ALA A 113 8.319 -14.987 -1.517 1.00 0.00 C ATOM 1719 C ALA A 113 8.049 -15.243 -2.995 1.00 0.00 C ATOM 1720 O ALA A 113 8.639 -16.139 -3.596 1.00 0.00 O ATOM 1721 CB ALA A 113 7.237 -15.630 -0.662 1.00 0.00 C ATOM 0 H ALA A 113 7.589 -13.175 -0.764 1.00 0.00 H new ATOM 0 HA ALA A 113 9.281 -15.438 -1.272 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.180 -16.695 -0.887 1.00 0.00 H new ATOM 0 HB2 ALA A 113 7.478 -15.494 0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 113 6.277 -15.162 -0.878 1.00 0.00 H new ATOM 1727 N GLN A 114 7.164 -14.450 -3.580 1.00 0.00 N ATOM 1728 CA GLN A 114 6.761 -14.651 -4.961 1.00 0.00 C ATOM 1729 C GLN A 114 7.061 -13.421 -5.813 1.00 0.00 C ATOM 1730 O GLN A 114 6.228 -12.983 -6.612 1.00 0.00 O ATOM 1731 CB GLN A 114 5.271 -14.986 -5.014 1.00 0.00 C ATOM 1732 CG GLN A 114 4.384 -13.889 -4.453 1.00 0.00 C ATOM 1733 CD GLN A 114 2.939 -14.310 -4.340 1.00 0.00 C ATOM 1734 OE1 GLN A 114 2.158 -14.152 -5.278 1.00 0.00 O ATOM 1735 NE2 GLN A 114 2.564 -14.821 -3.177 1.00 0.00 N ATOM 0 H GLN A 114 6.712 -13.661 -3.118 1.00 0.00 H new ATOM 0 HA GLN A 114 7.335 -15.482 -5.371 1.00 0.00 H new ATOM 0 HB2 GLN A 114 4.987 -15.179 -6.048 1.00 0.00 H new ATOM 0 HB3 GLN A 114 5.093 -15.906 -4.457 1.00 0.00 H new ATOM 0 HG2 GLN A 114 4.751 -13.598 -3.469 1.00 0.00 H new ATOM 0 HG3 GLN A 114 4.453 -13.009 -5.092 1.00 0.00 H new ATOM 0 HE21 GLN A 114 3.245 -14.934 -2.426 1.00 0.00 H new ATOM 0 HE22 GLN A 114 1.594 -15.101 -3.032 1.00 0.00 H new ATOM 1744 N GLU A 115 8.255 -12.869 -5.642 1.00 0.00 N ATOM 1745 CA GLU A 115 8.672 -11.704 -6.417 1.00 0.00 C ATOM 1746 C GLU A 115 8.741 -12.033 -7.909 1.00 0.00 C ATOM 1747 O GLU A 115 8.991 -13.176 -8.296 1.00 0.00 O ATOM 1748 CB GLU A 115 10.012 -11.140 -5.907 1.00 0.00 C ATOM 1749 CG GLU A 115 11.048 -12.180 -5.489 1.00 0.00 C ATOM 1750 CD GLU A 115 11.590 -13.004 -6.640 1.00 0.00 C ATOM 1751 OE1 GLU A 115 12.193 -12.423 -7.568 1.00 0.00 O ATOM 1752 OE2 GLU A 115 11.445 -14.243 -6.606 1.00 0.00 O ATOM 0 H GLU A 115 8.951 -13.206 -4.977 1.00 0.00 H new ATOM 0 HA GLU A 115 7.918 -10.929 -6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 115 10.445 -10.516 -6.689 1.00 0.00 H new ATOM 0 HB3 GLU A 115 9.812 -10.490 -5.055 1.00 0.00 H new ATOM 0 HG2 GLU A 115 11.877 -11.674 -4.995 1.00 0.00 H new ATOM 0 HG3 GLU A 115 10.600 -12.850 -4.755 1.00 0.00 H new ATOM 1759 N ALA A 116 8.489 -11.035 -8.741 1.00 0.00 N ATOM 1760 CA ALA A 116 8.474 -11.228 -10.183 1.00 0.00 C ATOM 1761 C ALA A 116 8.742 -9.916 -10.904 1.00 0.00 C ATOM 1762 O ALA A 116 8.007 -8.942 -10.728 1.00 0.00 O ATOM 1763 CB ALA A 116 7.140 -11.810 -10.628 1.00 0.00 C ATOM 0 H ALA A 116 8.291 -10.080 -8.442 1.00 0.00 H new ATOM 0 HA ALA A 116 9.266 -11.931 -10.441 1.00 0.00 H new ATOM 0 HB1 ALA A 116 7.146 -11.948 -11.709 1.00 0.00 H new ATOM 0 HB2 ALA A 116 6.982 -12.772 -10.140 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.336 -11.127 -10.354 1.00 0.00 H new ATOM 1769 N PRO A 117 9.810 -9.873 -11.713 1.00 0.00 N ATOM 1770 CA PRO A 117 10.169 -8.685 -12.493 1.00 0.00 C ATOM 1771 C PRO A 117 9.088 -8.328 -13.512 1.00 0.00 C ATOM 1772 O PRO A 117 8.861 -9.054 -14.482 1.00 0.00 O ATOM 1773 CB PRO A 117 11.470 -9.089 -13.198 1.00 0.00 C ATOM 1774 CG PRO A 117 11.976 -10.270 -12.444 1.00 0.00 C ATOM 1775 CD PRO A 117 10.758 -10.975 -11.928 1.00 0.00 C ATOM 0 HA PRO A 117 10.279 -7.800 -11.867 1.00 0.00 H new ATOM 0 HB2 PRO A 117 11.290 -9.338 -14.244 1.00 0.00 H new ATOM 0 HB3 PRO A 117 12.194 -8.274 -13.185 1.00 0.00 H new ATOM 0 HG2 PRO A 117 12.563 -10.924 -13.089 1.00 0.00 H new ATOM 0 HG3 PRO A 117 12.626 -9.962 -11.625 1.00 0.00 H new ATOM 0 HD2 PRO A 117 10.377 -11.702 -12.645 1.00 0.00 H new ATOM 0 HD3 PRO A 117 10.965 -11.516 -11.005 1.00 0.00 H new ATOM 1783 N GLY A 118 8.411 -7.220 -13.267 1.00 0.00 N ATOM 1784 CA GLY A 118 7.339 -6.786 -14.134 1.00 0.00 C ATOM 1785 C GLY A 118 6.265 -6.044 -13.370 1.00 0.00 C ATOM 1786 O GLY A 118 5.588 -5.179 -13.926 1.00 0.00 O ATOM 0 H GLY A 118 8.588 -6.606 -12.472 1.00 0.00 H new ATOM 0 HA2 GLY A 118 7.742 -6.141 -14.915 1.00 0.00 H new ATOM 0 HA3 GLY A 118 6.900 -7.651 -14.631 1.00 0.00 H new ATOM 1790 N GLN A 119 6.131 -6.389 -12.085 1.00 0.00 N ATOM 1791 CA GLN A 119 5.168 -5.759 -11.175 1.00 0.00 C ATOM 1792 C GLN A 119 3.729 -6.123 -11.530 1.00 0.00 C ATOM 1793 O GLN A 119 3.088 -6.901 -10.821 1.00 0.00 O ATOM 1794 CB GLN A 119 5.346 -4.236 -11.146 1.00 0.00 C ATOM 1795 CG GLN A 119 6.686 -3.792 -10.583 1.00 0.00 C ATOM 1796 CD GLN A 119 6.886 -2.290 -10.642 1.00 0.00 C ATOM 1797 OE1 GLN A 119 7.559 -1.711 -9.790 1.00 0.00 O ATOM 1798 NE2 GLN A 119 6.321 -1.648 -11.654 1.00 0.00 N ATOM 0 H GLN A 119 6.691 -7.118 -11.644 1.00 0.00 H new ATOM 0 HA GLN A 119 5.372 -6.148 -10.177 1.00 0.00 H new ATOM 0 HB2 GLN A 119 5.239 -3.847 -12.158 1.00 0.00 H new ATOM 0 HB3 GLN A 119 4.547 -3.796 -10.550 1.00 0.00 H new ATOM 0 HG2 GLN A 119 6.766 -4.123 -9.548 1.00 0.00 H new ATOM 0 HG3 GLN A 119 7.487 -4.282 -11.137 1.00 0.00 H new ATOM 0 HE21 GLN A 119 5.770 -2.163 -12.341 1.00 0.00 H new ATOM 0 HE22 GLN A 119 6.437 -0.639 -11.746 1.00 0.00 H new ATOM 1807 N ALA A 120 3.229 -5.566 -12.624 1.00 0.00 N ATOM 1808 CA ALA A 120 1.860 -5.807 -13.056 1.00 0.00 C ATOM 1809 C ALA A 120 1.788 -5.869 -14.576 1.00 0.00 C ATOM 1810 O ALA A 120 1.744 -6.987 -15.128 1.00 0.00 O ATOM 1811 CB ALA A 120 0.938 -4.720 -12.520 1.00 0.00 C ATOM 1812 OXT ALA A 120 1.803 -4.799 -15.217 1.00 0.00 O ATOM 0 H ALA A 120 3.756 -4.939 -13.233 1.00 0.00 H new ATOM 0 HA ALA A 120 1.531 -6.766 -12.656 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -0.083 -4.913 -12.851 1.00 0.00 H new ATOM 0 HB2 ALA A 120 0.972 -4.719 -11.431 1.00 0.00 H new ATOM 0 HB3 ALA A 120 1.264 -3.749 -12.895 1.00 0.00 H new TER 1818 ALA A 120