USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 966 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 77 HIS HD1 : A 77 HIS ND1 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 107 HIS HD1 : A 107 HIS ND1 : A 400 ZNZN :(H bumps) USER MOD Set 1.1: A 37 ASN : amide:sc= -0.303 K(o=-0.61,f=-0.039) USER MOD Set 1.2: A 81 HIS : no HE2:sc= -0.307 X(o=-0.61,f=-1.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc=-0.00173 (180deg=-0.101) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 159:sc= -0.163 (180deg=-0.81) USER MOD Single : A 24 LYS NZ :NH3+ 170:sc= 2.07 (180deg=1.83) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ -165:sc= -0.0813 (180deg=-0.552) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.156 K(o=-0.16,f=-0.76) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 110:sc= -0.411 USER MOD Single : A 52 LYS NZ :NH3+ 171:sc= 1.28 (180deg=0.904) USER MOD Single : A 57 LYS NZ :NH3+ -109:sc= 0.171 (180deg=-1.14!) USER MOD Single : A 60 ASN : amide:sc= -0.643 K(o=-0.64,f=-10!) USER MOD Single : A 63 LYS NZ :NH3+ 168:sc= -0.0335 (180deg=-0.187) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 170:sc= 1.24 (180deg=0.936) USER MOD Single : A 82 LYS NZ :NH3+ -170:sc= 1.13 (180deg=1.02) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 165:sc= -0.0243 (180deg=-0.229) USER MOD Single : A 87 GLN : amide:sc= -1.56! K(o=-1.6!,f=-0.066) USER MOD Single : A 89 ASN : amide:sc= 0.0388 K(o=0.039,f=-2.8!) USER MOD Single : A 92 GLN : amide:sc= 0.901 K(o=0.9,f=-5.8!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.365 X(o=-0.36,f=-0.058) USER MOD Single : A 99 GLN : amide:sc= 0.56 K(o=0.56,f=-0.6) USER MOD Single : A 100 HIS : no HD1:sc= -2 K(o=-2,f=-10!) USER MOD Single : A 102 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.31) USER MOD Single : A 105 GLN : amide:sc= -0.973 K(o=-0.97,f=-0.14) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ -160:sc= -0.0795 (180deg=-0.483) USER MOD Single : A 115 ASN : amide:sc= -1.34 K(o=-1.3,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.711 14.179 12.615 1.00 0.00 N ATOM 2 CA MET A 1 -14.169 14.499 11.244 1.00 0.00 C ATOM 3 C MET A 1 -14.220 13.238 10.396 1.00 0.00 C ATOM 4 O MET A 1 -15.292 12.687 10.141 1.00 0.00 O ATOM 5 CB MET A 1 -13.236 15.516 10.583 1.00 0.00 C ATOM 6 CG MET A 1 -13.185 16.864 11.282 1.00 0.00 C ATOM 7 SD MET A 1 -12.079 18.026 10.459 1.00 0.00 S ATOM 8 CE MET A 1 -12.228 19.453 11.532 1.00 0.00 C ATOM 0 H1 MET A 1 -13.825 15.015 13.223 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.277 13.394 12.996 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.709 13.903 12.591 1.00 0.00 H new ATOM 0 HA MET A 1 -15.168 14.929 11.316 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.229 15.099 10.549 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.554 15.667 9.551 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.188 17.288 11.321 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.858 16.723 12.312 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.600 20.260 11.154 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.267 19.783 11.557 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.908 19.186 12.539 1.00 0.00 H new ATOM 20 N ASP A 2 -13.053 12.782 9.968 1.00 0.00 N ATOM 21 CA ASP A 2 -12.949 11.591 9.144 1.00 0.00 C ATOM 22 C ASP A 2 -12.302 10.459 9.927 1.00 0.00 C ATOM 23 O ASP A 2 -11.730 10.680 10.998 1.00 0.00 O ATOM 24 CB ASP A 2 -12.161 11.886 7.859 1.00 0.00 C ATOM 25 CG ASP A 2 -10.822 12.550 8.125 1.00 0.00 C ATOM 26 OD1 ASP A 2 -10.810 13.677 8.671 1.00 0.00 O ATOM 27 OD2 ASP A 2 -9.778 11.971 7.762 1.00 0.00 O ATOM 0 H ASP A 2 -12.159 13.224 10.181 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.954 11.280 8.859 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.997 10.954 7.317 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -12.758 12.530 7.213 1.00 0.00 H new ATOM 32 N GLU A 3 -12.425 9.251 9.396 1.00 0.00 N ATOM 33 CA GLU A 3 -11.930 8.052 10.059 1.00 0.00 C ATOM 34 C GLU A 3 -10.427 8.136 10.317 1.00 0.00 C ATOM 35 O GLU A 3 -9.994 8.147 11.472 1.00 0.00 O ATOM 36 CB GLU A 3 -12.253 6.803 9.226 1.00 0.00 C ATOM 37 CG GLU A 3 -13.723 6.672 8.852 1.00 0.00 C ATOM 38 CD GLU A 3 -14.066 7.346 7.536 1.00 0.00 C ATOM 39 OE1 GLU A 3 -14.202 8.584 7.501 1.00 0.00 O ATOM 40 OE2 GLU A 3 -14.213 6.632 6.523 1.00 0.00 O ATOM 0 H GLU A 3 -12.870 9.074 8.495 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.434 7.977 11.022 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.657 6.823 8.314 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -11.950 5.918 9.785 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.983 5.615 8.791 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.333 7.105 9.645 1.00 0.00 H new ATOM 47 N LEU A 4 -9.647 8.185 9.231 1.00 0.00 N ATOM 48 CA LEU A 4 -8.175 8.270 9.285 1.00 0.00 C ATOM 49 C LEU A 4 -7.539 6.978 9.821 1.00 0.00 C ATOM 50 O LEU A 4 -6.598 6.455 9.228 1.00 0.00 O ATOM 51 CB LEU A 4 -7.717 9.476 10.121 1.00 0.00 C ATOM 52 CG LEU A 4 -6.207 9.753 10.096 1.00 0.00 C ATOM 53 CD1 LEU A 4 -5.743 10.109 8.689 1.00 0.00 C ATOM 54 CD2 LEU A 4 -5.849 10.870 11.068 1.00 0.00 C ATOM 0 H LEU A 4 -10.018 8.167 8.281 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.833 8.406 8.259 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.239 10.364 9.765 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.024 9.319 11.155 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.694 8.843 10.407 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.670 10.301 8.697 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.958 9.280 8.014 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.268 11.001 8.347 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.775 11.051 11.035 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.379 11.780 10.787 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.137 10.579 12.078 1.00 0.00 H new ATOM 66 N ARG A 5 -8.063 6.465 10.931 1.00 0.00 N ATOM 67 CA ARG A 5 -7.528 5.266 11.569 1.00 0.00 C ATOM 68 C ARG A 5 -7.588 4.058 10.634 1.00 0.00 C ATOM 69 O ARG A 5 -6.622 3.309 10.516 1.00 0.00 O ATOM 70 CB ARG A 5 -8.300 4.975 12.858 1.00 0.00 C ATOM 71 CG ARG A 5 -7.874 3.693 13.554 1.00 0.00 C ATOM 72 CD ARG A 5 -8.641 3.482 14.851 1.00 0.00 C ATOM 73 NE ARG A 5 -10.090 3.533 14.646 1.00 0.00 N ATOM 74 CZ ARG A 5 -10.987 3.265 15.593 1.00 0.00 C ATOM 75 NH1 ARG A 5 -10.594 2.874 16.799 1.00 0.00 N ATOM 76 NH2 ARG A 5 -12.283 3.381 15.332 1.00 0.00 N ATOM 0 H ARG A 5 -8.868 6.867 11.412 1.00 0.00 H new ATOM 0 HA ARG A 5 -6.480 5.449 11.807 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -8.169 5.811 13.545 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -9.364 4.916 12.628 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -8.040 2.845 12.890 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -6.805 3.729 13.764 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -8.369 2.518 15.280 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -8.350 4.245 15.573 1.00 0.00 H new ATOM 0 HE ARG A 5 -10.434 3.790 13.721 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -9.600 2.777 17.005 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -11.286 2.670 17.520 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -12.592 3.676 14.406 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -12.970 3.176 16.058 1.00 0.00 H new ATOM 90 N GLU A 6 -8.722 3.882 9.962 1.00 0.00 N ATOM 91 CA GLU A 6 -8.892 2.782 9.022 1.00 0.00 C ATOM 92 C GLU A 6 -7.921 2.914 7.853 1.00 0.00 C ATOM 93 O GLU A 6 -7.464 1.916 7.293 1.00 0.00 O ATOM 94 CB GLU A 6 -10.330 2.735 8.510 1.00 0.00 C ATOM 95 CG GLU A 6 -11.352 2.479 9.603 1.00 0.00 C ATOM 96 CD GLU A 6 -12.759 2.344 9.061 1.00 0.00 C ATOM 97 OE1 GLU A 6 -13.140 1.223 8.664 1.00 0.00 O ATOM 98 OE2 GLU A 6 -13.491 3.355 9.036 1.00 0.00 O ATOM 0 H GLU A 6 -9.537 4.489 10.052 1.00 0.00 H new ATOM 0 HA GLU A 6 -8.676 1.851 9.546 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.564 3.679 8.019 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -10.413 1.953 7.755 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.084 1.569 10.140 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.321 3.296 10.324 1.00 0.00 H new ATOM 105 N LEU A 7 -7.612 4.156 7.495 1.00 0.00 N ATOM 106 CA LEU A 7 -6.657 4.433 6.432 1.00 0.00 C ATOM 107 C LEU A 7 -5.258 4.013 6.872 1.00 0.00 C ATOM 108 O LEU A 7 -4.518 3.389 6.116 1.00 0.00 O ATOM 109 CB LEU A 7 -6.675 5.923 6.086 1.00 0.00 C ATOM 110 CG LEU A 7 -5.869 6.318 4.853 1.00 0.00 C ATOM 111 CD1 LEU A 7 -6.462 5.682 3.607 1.00 0.00 C ATOM 112 CD2 LEU A 7 -5.824 7.831 4.715 1.00 0.00 C ATOM 0 H LEU A 7 -8.012 4.988 7.928 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.936 3.864 5.545 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.710 6.232 5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.296 6.482 6.941 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.849 5.953 4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.876 5.973 2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.445 4.597 3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.491 6.019 3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.246 8.099 3.831 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.838 8.218 4.616 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.356 8.263 5.599 1.00 0.00 H new ATOM 124 N LEU A 8 -4.920 4.350 8.112 1.00 0.00 N ATOM 125 CA LEU A 8 -3.645 3.961 8.703 1.00 0.00 C ATOM 126 C LEU A 8 -3.517 2.443 8.730 1.00 0.00 C ATOM 127 O LEU A 8 -2.488 1.884 8.348 1.00 0.00 O ATOM 128 CB LEU A 8 -3.534 4.512 10.126 1.00 0.00 C ATOM 129 CG LEU A 8 -2.201 4.256 10.831 1.00 0.00 C ATOM 130 CD1 LEU A 8 -1.057 4.909 10.070 1.00 0.00 C ATOM 131 CD2 LEU A 8 -2.253 4.764 12.263 1.00 0.00 C ATOM 0 H LEU A 8 -5.518 4.897 8.732 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.841 4.375 8.095 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.707 5.588 10.095 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.332 4.078 10.728 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.023 3.181 10.853 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.118 4.715 10.588 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.008 4.496 9.062 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.225 5.985 10.013 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.297 4.574 12.751 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.454 5.835 12.262 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.045 4.247 12.804 1.00 0.00 H new ATOM 143 N LYS A 9 -4.579 1.786 9.184 1.00 0.00 N ATOM 144 CA LYS A 9 -4.611 0.328 9.254 1.00 0.00 C ATOM 145 C LYS A 9 -4.370 -0.302 7.885 1.00 0.00 C ATOM 146 O LYS A 9 -3.747 -1.356 7.791 1.00 0.00 O ATOM 147 CB LYS A 9 -5.945 -0.168 9.815 1.00 0.00 C ATOM 148 CG LYS A 9 -6.189 0.212 11.268 1.00 0.00 C ATOM 149 CD LYS A 9 -7.382 -0.539 11.847 1.00 0.00 C ATOM 150 CE LYS A 9 -7.116 -2.039 11.899 1.00 0.00 C ATOM 151 NZ LYS A 9 -8.286 -2.805 12.409 1.00 0.00 N ATOM 0 H LYS A 9 -5.432 2.241 9.510 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.808 0.024 9.925 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.755 0.233 9.205 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.984 -1.253 9.723 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.299 -0.007 11.857 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.363 1.286 11.340 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.596 -0.170 12.850 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.267 -0.345 11.241 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.859 -2.395 10.901 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.253 -2.230 12.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.056 -3.819 12.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.517 -2.486 13.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.104 -2.645 11.786 1.00 0.00 H new ATOM 165 N ALA A 10 -4.873 0.336 6.831 1.00 0.00 N ATOM 166 CA ALA A 10 -4.687 -0.172 5.477 1.00 0.00 C ATOM 167 C ALA A 10 -3.205 -0.215 5.114 1.00 0.00 C ATOM 168 O ALA A 10 -2.714 -1.216 4.591 1.00 0.00 O ATOM 169 CB ALA A 10 -5.459 0.678 4.476 1.00 0.00 C ATOM 0 H ALA A 10 -5.410 1.201 6.889 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.077 -1.189 5.438 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.308 0.284 3.471 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.521 0.653 4.720 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.101 1.707 4.520 1.00 0.00 H new ATOM 175 N GLU A 11 -2.497 0.866 5.421 1.00 0.00 N ATOM 176 CA GLU A 11 -1.060 0.934 5.189 1.00 0.00 C ATOM 177 C GLU A 11 -0.328 -0.094 6.051 1.00 0.00 C ATOM 178 O GLU A 11 0.558 -0.805 5.575 1.00 0.00 O ATOM 179 CB GLU A 11 -0.540 2.338 5.502 1.00 0.00 C ATOM 180 CG GLU A 11 -1.171 3.438 4.660 1.00 0.00 C ATOM 181 CD GLU A 11 -0.866 3.305 3.180 1.00 0.00 C ATOM 182 OE1 GLU A 11 0.264 3.634 2.764 1.00 0.00 O ATOM 183 OE2 GLU A 11 -1.754 2.911 2.411 1.00 0.00 O ATOM 0 H GLU A 11 -2.897 1.709 5.832 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.871 0.709 4.139 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.720 2.554 6.555 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.540 2.355 5.353 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.251 3.423 4.805 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.815 4.406 5.012 1.00 0.00 H new ATOM 190 N GLN A 12 -0.717 -0.174 7.323 1.00 0.00 N ATOM 191 CA GLN A 12 -0.120 -1.132 8.253 1.00 0.00 C ATOM 192 C GLN A 12 -0.324 -2.558 7.754 1.00 0.00 C ATOM 193 O GLN A 12 0.588 -3.386 7.811 1.00 0.00 O ATOM 194 CB GLN A 12 -0.736 -0.986 9.646 1.00 0.00 C ATOM 195 CG GLN A 12 -0.548 0.390 10.271 1.00 0.00 C ATOM 196 CD GLN A 12 -1.198 0.498 11.639 1.00 0.00 C ATOM 197 OE1 GLN A 12 -2.190 -0.175 11.926 1.00 0.00 O ATOM 198 NE2 GLN A 12 -0.657 1.352 12.491 1.00 0.00 N ATOM 0 H GLN A 12 -1.443 0.413 7.733 1.00 0.00 H new ATOM 0 HA GLN A 12 0.948 -0.923 8.313 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.803 -1.202 9.584 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.297 -1.735 10.305 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.517 0.603 10.360 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.970 1.147 9.610 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.164 1.893 12.219 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.061 1.470 13.420 1.00 0.00 H new ATOM 207 N GLN A 13 -1.524 -2.828 7.257 1.00 0.00 N ATOM 208 CA GLN A 13 -1.876 -4.144 6.743 1.00 0.00 C ATOM 209 C GLN A 13 -1.014 -4.494 5.542 1.00 0.00 C ATOM 210 O GLN A 13 -0.539 -5.622 5.413 1.00 0.00 O ATOM 211 CB GLN A 13 -3.355 -4.175 6.356 1.00 0.00 C ATOM 212 CG GLN A 13 -3.868 -5.555 5.980 1.00 0.00 C ATOM 213 CD GLN A 13 -5.336 -5.537 5.605 1.00 0.00 C ATOM 214 OE1 GLN A 13 -6.209 -5.695 6.457 1.00 0.00 O ATOM 215 NE2 GLN A 13 -5.619 -5.345 4.327 1.00 0.00 N ATOM 0 H GLN A 13 -2.278 -2.143 7.199 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.697 -4.883 7.524 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.946 -3.794 7.189 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.514 -3.498 5.516 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.286 -5.942 5.144 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.717 -6.237 6.816 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.866 -5.218 3.651 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.591 -5.324 4.017 1.00 0.00 H new ATOM 224 N GLY A 14 -0.817 -3.518 4.671 1.00 0.00 N ATOM 225 CA GLY A 14 0.029 -3.715 3.510 1.00 0.00 C ATOM 226 C GLY A 14 1.463 -4.005 3.897 1.00 0.00 C ATOM 227 O GLY A 14 2.094 -4.890 3.325 1.00 0.00 O ATOM 0 H GLY A 14 -1.229 -2.588 4.746 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.360 -4.541 2.914 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.004 -2.825 2.882 1.00 0.00 H new ATOM 231 N ILE A 15 1.975 -3.267 4.877 1.00 0.00 N ATOM 232 CA ILE A 15 3.320 -3.502 5.392 1.00 0.00 C ATOM 233 C ILE A 15 3.424 -4.906 5.979 1.00 0.00 C ATOM 234 O ILE A 15 4.418 -5.604 5.773 1.00 0.00 O ATOM 235 CB ILE A 15 3.713 -2.465 6.468 1.00 0.00 C ATOM 236 CG1 ILE A 15 3.720 -1.057 5.868 1.00 0.00 C ATOM 237 CG2 ILE A 15 5.079 -2.797 7.060 1.00 0.00 C ATOM 238 CD1 ILE A 15 4.051 0.031 6.868 1.00 0.00 C ATOM 0 H ILE A 15 1.478 -2.500 5.331 1.00 0.00 H new ATOM 0 HA ILE A 15 4.010 -3.400 4.554 1.00 0.00 H new ATOM 0 HB ILE A 15 2.974 -2.501 7.269 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.444 -1.022 5.054 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.742 -0.853 5.433 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.338 -2.055 7.816 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.047 -3.786 7.518 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.830 -2.788 6.270 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.037 1.000 6.369 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.313 0.025 7.670 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.042 -0.148 7.285 1.00 0.00 H new ATOM 250 N LYS A 16 2.385 -5.317 6.704 1.00 0.00 N ATOM 251 CA LYS A 16 2.307 -6.671 7.245 1.00 0.00 C ATOM 252 C LYS A 16 2.458 -7.687 6.123 1.00 0.00 C ATOM 253 O LYS A 16 3.228 -8.643 6.223 1.00 0.00 O ATOM 254 CB LYS A 16 0.954 -6.879 7.929 1.00 0.00 C ATOM 255 CG LYS A 16 0.812 -8.223 8.627 1.00 0.00 C ATOM 256 CD LYS A 16 -0.635 -8.507 8.992 1.00 0.00 C ATOM 257 CE LYS A 16 -0.789 -9.854 9.677 1.00 0.00 C ATOM 258 NZ LYS A 16 -2.217 -10.241 9.819 1.00 0.00 N ATOM 0 H LYS A 16 1.583 -4.729 6.930 1.00 0.00 H new ATOM 0 HA LYS A 16 3.109 -6.806 7.970 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.802 -6.084 8.659 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.164 -6.783 7.184 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.187 -9.014 7.977 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.425 -8.233 9.528 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.005 -7.720 9.649 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.248 -8.485 8.091 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.261 -10.616 9.103 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.323 -9.816 10.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.281 -11.166 10.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.715 -9.527 10.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.655 -10.302 8.878 1.00 0.00 H new ATOM 272 N ILE A 17 1.711 -7.452 5.056 1.00 0.00 N ATOM 273 CA ILE A 17 1.773 -8.285 3.863 1.00 0.00 C ATOM 274 C ILE A 17 3.175 -8.268 3.257 1.00 0.00 C ATOM 275 O ILE A 17 3.732 -9.315 2.947 1.00 0.00 O ATOM 276 CB ILE A 17 0.742 -7.819 2.806 1.00 0.00 C ATOM 277 CG1 ILE A 17 -0.681 -7.986 3.350 1.00 0.00 C ATOM 278 CG2 ILE A 17 0.908 -8.599 1.508 1.00 0.00 C ATOM 279 CD1 ILE A 17 -1.758 -7.467 2.418 1.00 0.00 C ATOM 0 H ILE A 17 1.046 -6.681 4.991 1.00 0.00 H new ATOM 0 HA ILE A 17 1.531 -9.305 4.163 1.00 0.00 H new ATOM 0 HB ILE A 17 0.918 -6.764 2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.863 -9.042 3.547 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.758 -7.466 4.305 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.173 -8.255 0.780 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.912 -8.440 1.114 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.758 -9.661 1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.737 -7.620 2.872 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.603 -6.403 2.240 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.709 -8.004 1.471 1.00 0.00 H new ATOM 291 N LEU A 18 3.746 -7.076 3.116 1.00 0.00 N ATOM 292 CA LEU A 18 5.084 -6.923 2.550 1.00 0.00 C ATOM 293 C LEU A 18 6.119 -7.702 3.357 1.00 0.00 C ATOM 294 O LEU A 18 7.020 -8.319 2.791 1.00 0.00 O ATOM 295 CB LEU A 18 5.470 -5.443 2.475 1.00 0.00 C ATOM 296 CG LEU A 18 4.582 -4.593 1.564 1.00 0.00 C ATOM 297 CD1 LEU A 18 5.028 -3.143 1.583 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.595 -5.138 0.144 1.00 0.00 C ATOM 0 H LEU A 18 3.302 -6.198 3.387 1.00 0.00 H new ATOM 0 HA LEU A 18 5.067 -7.332 1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.442 -5.023 3.481 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.500 -5.368 2.127 1.00 0.00 H new ATOM 0 HG LEU A 18 3.560 -4.641 1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.384 -2.556 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.963 -2.756 2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.058 -3.075 1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.958 -4.520 -0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.614 -5.123 -0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.222 -6.162 0.144 1.00 0.00 H new ATOM 310 N LYS A 19 5.975 -7.680 4.674 1.00 0.00 N ATOM 311 CA LYS A 19 6.834 -8.441 5.557 1.00 0.00 C ATOM 312 C LYS A 19 6.683 -9.936 5.293 1.00 0.00 C ATOM 313 O LYS A 19 7.668 -10.668 5.183 1.00 0.00 O ATOM 314 CB LYS A 19 6.466 -8.125 6.996 1.00 0.00 C ATOM 315 CG LYS A 19 6.994 -6.789 7.482 1.00 0.00 C ATOM 316 CD LYS A 19 8.492 -6.834 7.716 1.00 0.00 C ATOM 317 CE LYS A 19 8.996 -5.531 8.316 1.00 0.00 C ATOM 318 NZ LYS A 19 10.428 -5.616 8.704 1.00 0.00 N ATOM 0 H LYS A 19 5.260 -7.134 5.155 1.00 0.00 H new ATOM 0 HA LYS A 19 7.873 -8.167 5.374 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.380 -8.134 7.094 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.851 -8.914 7.642 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.763 -6.017 6.748 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.489 -6.512 8.407 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.733 -7.662 8.383 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.004 -7.025 6.773 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.863 -4.724 7.595 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.397 -5.279 9.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.733 -4.708 9.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.552 -6.369 9.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.003 -5.831 7.865 1.00 0.00 H new ATOM 332 N GLU A 20 5.435 -10.365 5.176 1.00 0.00 N ATOM 333 CA GLU A 20 5.099 -11.753 4.922 1.00 0.00 C ATOM 334 C GLU A 20 5.656 -12.206 3.570 1.00 0.00 C ATOM 335 O GLU A 20 6.225 -13.292 3.444 1.00 0.00 O ATOM 336 CB GLU A 20 3.576 -11.890 4.959 1.00 0.00 C ATOM 337 CG GLU A 20 3.063 -12.915 5.955 1.00 0.00 C ATOM 338 CD GLU A 20 3.142 -14.334 5.437 1.00 0.00 C ATOM 339 OE1 GLU A 20 2.160 -14.790 4.803 1.00 0.00 O ATOM 340 OE2 GLU A 20 4.169 -15.002 5.665 1.00 0.00 O ATOM 0 H GLU A 20 4.623 -9.753 5.256 1.00 0.00 H new ATOM 0 HA GLU A 20 5.546 -12.391 5.685 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.142 -10.919 5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.223 -12.160 3.964 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.640 -12.838 6.877 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.028 -12.683 6.206 1.00 0.00 H new ATOM 347 N VAL A 21 5.503 -11.350 2.564 1.00 0.00 N ATOM 348 CA VAL A 21 5.990 -11.643 1.221 1.00 0.00 C ATOM 349 C VAL A 21 7.512 -11.672 1.182 1.00 0.00 C ATOM 350 O VAL A 21 8.100 -12.558 0.569 1.00 0.00 O ATOM 351 CB VAL A 21 5.479 -10.609 0.193 1.00 0.00 C ATOM 352 CG1 VAL A 21 5.984 -10.940 -1.204 1.00 0.00 C ATOM 353 CG2 VAL A 21 3.960 -10.535 0.206 1.00 0.00 C ATOM 0 H VAL A 21 5.043 -10.444 2.655 1.00 0.00 H new ATOM 0 HA VAL A 21 5.603 -12.627 0.955 1.00 0.00 H new ATOM 0 HB VAL A 21 5.871 -9.632 0.477 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.611 -10.198 -1.911 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.074 -10.930 -1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.629 -11.929 -1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.625 -9.800 -0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.546 -11.512 -0.045 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.619 -10.240 1.198 1.00 0.00 H new ATOM 363 N LEU A 22 8.141 -10.703 1.839 1.00 0.00 N ATOM 364 CA LEU A 22 9.597 -10.617 1.865 1.00 0.00 C ATOM 365 C LEU A 22 10.190 -11.872 2.493 1.00 0.00 C ATOM 366 O LEU A 22 11.238 -12.363 2.068 1.00 0.00 O ATOM 367 CB LEU A 22 10.042 -9.382 2.652 1.00 0.00 C ATOM 368 CG LEU A 22 11.529 -9.042 2.538 1.00 0.00 C ATOM 369 CD1 LEU A 22 11.886 -8.700 1.102 1.00 0.00 C ATOM 370 CD2 LEU A 22 11.886 -7.890 3.465 1.00 0.00 C ATOM 0 H LEU A 22 7.666 -9.966 2.360 1.00 0.00 H new ATOM 0 HA LEU A 22 9.956 -10.531 0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.462 -8.524 2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.799 -9.533 3.704 1.00 0.00 H new ATOM 0 HG LEU A 22 12.107 -9.916 2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 22 12.947 -8.461 1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.667 -9.553 0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.300 -7.841 0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.948 -7.662 3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.301 -7.011 3.195 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.666 -8.170 4.495 1.00 0.00 H new ATOM 382 N LYS A 23 9.504 -12.381 3.505 1.00 0.00 N ATOM 383 CA LYS A 23 9.898 -13.614 4.169 1.00 0.00 C ATOM 384 C LYS A 23 9.737 -14.791 3.218 1.00 0.00 C ATOM 385 O LYS A 23 10.655 -15.582 3.010 1.00 0.00 O ATOM 386 CB LYS A 23 9.001 -13.813 5.394 1.00 0.00 C ATOM 387 CG LYS A 23 9.457 -14.891 6.370 1.00 0.00 C ATOM 388 CD LYS A 23 9.162 -16.291 5.854 1.00 0.00 C ATOM 389 CE LYS A 23 9.301 -17.328 6.949 1.00 0.00 C ATOM 390 NZ LYS A 23 8.380 -17.045 8.077 1.00 0.00 N ATOM 0 H LYS A 23 8.661 -11.953 3.888 1.00 0.00 H new ATOM 0 HA LYS A 23 10.943 -13.553 4.474 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.932 -12.867 5.930 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.996 -14.059 5.051 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.527 -14.789 6.548 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.959 -14.746 7.329 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.152 -16.324 5.447 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.843 -16.530 5.037 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.091 -18.318 6.544 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.329 -17.343 7.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.227 -17.914 8.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.796 -16.316 8.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.470 -16.706 7.705 1.00 0.00 H new ATOM 404 N LYS A 24 8.556 -14.874 2.640 1.00 0.00 N ATOM 405 CA LYS A 24 8.198 -15.968 1.743 1.00 0.00 C ATOM 406 C LYS A 24 9.002 -15.956 0.444 1.00 0.00 C ATOM 407 O LYS A 24 9.134 -16.988 -0.217 1.00 0.00 O ATOM 408 CB LYS A 24 6.699 -15.938 1.465 1.00 0.00 C ATOM 409 CG LYS A 24 5.892 -16.588 2.573 1.00 0.00 C ATOM 410 CD LYS A 24 4.401 -16.439 2.346 1.00 0.00 C ATOM 411 CE LYS A 24 3.609 -17.228 3.373 1.00 0.00 C ATOM 412 NZ LYS A 24 2.154 -16.976 3.253 1.00 0.00 N ATOM 0 H LYS A 24 7.813 -14.188 2.775 1.00 0.00 H new ATOM 0 HA LYS A 24 8.452 -16.902 2.245 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.376 -14.904 1.342 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.496 -16.449 0.524 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.146 -17.646 2.635 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.161 -16.139 3.529 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.125 -15.386 2.401 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.147 -16.783 1.344 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.806 -18.292 3.245 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.944 -16.960 4.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.634 -17.652 3.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.943 -16.006 3.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.862 -17.093 2.262 1.00 0.00 H new ATOM 426 N ALA A 25 9.537 -14.800 0.079 1.00 0.00 N ATOM 427 CA ALA A 25 10.414 -14.693 -1.082 1.00 0.00 C ATOM 428 C ALA A 25 11.653 -15.568 -0.904 1.00 0.00 C ATOM 429 O ALA A 25 12.255 -16.017 -1.876 1.00 0.00 O ATOM 430 CB ALA A 25 10.813 -13.244 -1.311 1.00 0.00 C ATOM 0 H ALA A 25 9.380 -13.920 0.570 1.00 0.00 H new ATOM 0 HA ALA A 25 9.870 -15.046 -1.958 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.467 -13.180 -2.180 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.920 -12.644 -1.484 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.338 -12.868 -0.433 1.00 0.00 H new ATOM 436 N LYS A 26 12.015 -15.813 0.349 1.00 0.00 N ATOM 437 CA LYS A 26 13.146 -16.670 0.681 1.00 0.00 C ATOM 438 C LYS A 26 12.836 -18.132 0.373 1.00 0.00 C ATOM 439 O LYS A 26 13.738 -18.927 0.103 1.00 0.00 O ATOM 440 CB LYS A 26 13.505 -16.520 2.160 1.00 0.00 C ATOM 441 CG LYS A 26 14.083 -15.161 2.518 1.00 0.00 C ATOM 442 CD LYS A 26 15.501 -15.000 1.989 1.00 0.00 C ATOM 443 CE LYS A 26 16.439 -16.016 2.622 1.00 0.00 C ATOM 444 NZ LYS A 26 17.827 -15.898 2.107 1.00 0.00 N ATOM 0 H LYS A 26 11.535 -15.425 1.161 1.00 0.00 H new ATOM 0 HA LYS A 26 13.993 -16.360 0.069 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.612 -16.694 2.760 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.225 -17.293 2.429 1.00 0.00 H new ATOM 0 HG2 LYS A 26 13.449 -14.375 2.107 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.082 -15.038 3.601 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.505 -15.122 0.906 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.858 -13.991 2.197 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.442 -15.880 3.703 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.066 -17.022 2.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.430 -16.610 2.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.830 -16.054 1.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.195 -14.947 2.314 1.00 0.00 H new ATOM 458 N GLU A 27 11.558 -18.487 0.445 1.00 0.00 N ATOM 459 CA GLU A 27 11.125 -19.862 0.230 1.00 0.00 C ATOM 460 C GLU A 27 11.247 -20.231 -1.248 1.00 0.00 C ATOM 461 O GLU A 27 11.603 -21.360 -1.590 1.00 0.00 O ATOM 462 CB GLU A 27 9.684 -20.044 0.714 1.00 0.00 C ATOM 463 CG GLU A 27 9.445 -19.531 2.129 1.00 0.00 C ATOM 464 CD GLU A 27 10.316 -20.213 3.166 1.00 0.00 C ATOM 465 OE1 GLU A 27 11.487 -19.805 3.333 1.00 0.00 O ATOM 466 OE2 GLU A 27 9.832 -21.151 3.834 1.00 0.00 O ATOM 0 H GLU A 27 10.800 -17.837 0.652 1.00 0.00 H new ATOM 0 HA GLU A 27 11.769 -20.528 0.805 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.012 -19.525 0.030 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.427 -21.102 0.672 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.632 -18.458 2.156 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.397 -19.679 2.390 1.00 0.00 H new ATOM 473 N GLY A 28 10.947 -19.272 -2.117 1.00 0.00 N ATOM 474 CA GLY A 28 11.165 -19.458 -3.541 1.00 0.00 C ATOM 475 C GLY A 28 10.068 -20.248 -4.228 1.00 0.00 C ATOM 476 O GLY A 28 10.306 -20.860 -5.273 1.00 0.00 O ATOM 0 H GLY A 28 10.555 -18.366 -1.860 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.250 -18.481 -4.017 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.116 -19.969 -3.690 1.00 0.00 H new ATOM 480 N ASP A 29 8.872 -20.244 -3.656 1.00 0.00 N ATOM 481 CA ASP A 29 7.738 -20.928 -4.273 1.00 0.00 C ATOM 482 C ASP A 29 6.934 -19.955 -5.128 1.00 0.00 C ATOM 483 O ASP A 29 6.476 -18.920 -4.640 1.00 0.00 O ATOM 484 CB ASP A 29 6.834 -21.566 -3.215 1.00 0.00 C ATOM 485 CG ASP A 29 5.656 -22.294 -3.832 1.00 0.00 C ATOM 486 OD1 ASP A 29 5.866 -23.348 -4.464 1.00 0.00 O ATOM 487 OD2 ASP A 29 4.518 -21.803 -3.712 1.00 0.00 O ATOM 0 H ASP A 29 8.660 -19.780 -2.773 1.00 0.00 H new ATOM 0 HA ASP A 29 8.131 -21.721 -4.909 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.417 -22.265 -2.615 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.468 -20.794 -2.539 1.00 0.00 H new ATOM 492 N GLU A 30 6.771 -20.293 -6.399 1.00 0.00 N ATOM 493 CA GLU A 30 6.105 -19.408 -7.348 1.00 0.00 C ATOM 494 C GLU A 30 4.617 -19.283 -7.047 1.00 0.00 C ATOM 495 O GLU A 30 4.047 -18.201 -7.169 1.00 0.00 O ATOM 496 CB GLU A 30 6.307 -19.907 -8.781 1.00 0.00 C ATOM 497 CG GLU A 30 7.760 -19.913 -9.228 1.00 0.00 C ATOM 498 CD GLU A 30 7.915 -20.362 -10.665 1.00 0.00 C ATOM 499 OE1 GLU A 30 7.995 -21.586 -10.901 1.00 0.00 O ATOM 500 OE2 GLU A 30 7.943 -19.494 -11.565 1.00 0.00 O ATOM 0 H GLU A 30 7.091 -21.175 -6.799 1.00 0.00 H new ATOM 0 HA GLU A 30 6.556 -18.421 -7.246 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.907 -20.917 -8.864 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.730 -19.279 -9.460 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.177 -18.912 -9.115 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.335 -20.573 -8.579 1.00 0.00 H new ATOM 507 N GLN A 31 3.994 -20.387 -6.646 1.00 0.00 N ATOM 508 CA GLN A 31 2.570 -20.384 -6.328 1.00 0.00 C ATOM 509 C GLN A 31 2.287 -19.463 -5.147 1.00 0.00 C ATOM 510 O GLN A 31 1.340 -18.675 -5.173 1.00 0.00 O ATOM 511 CB GLN A 31 2.088 -21.798 -6.011 1.00 0.00 C ATOM 512 CG GLN A 31 2.186 -22.758 -7.182 1.00 0.00 C ATOM 513 CD GLN A 31 1.800 -24.176 -6.807 1.00 0.00 C ATOM 514 OE1 GLN A 31 2.644 -24.972 -6.403 1.00 0.00 O ATOM 515 NE2 GLN A 31 0.525 -24.501 -6.935 1.00 0.00 N ATOM 0 H GLN A 31 4.451 -21.292 -6.534 1.00 0.00 H new ATOM 0 HA GLN A 31 2.029 -20.015 -7.199 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.673 -22.193 -5.180 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.051 -21.752 -5.678 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.539 -22.410 -7.987 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.206 -22.753 -7.567 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.146 -23.811 -7.274 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.212 -25.442 -6.695 1.00 0.00 H new ATOM 524 N GLU A 32 3.124 -19.563 -4.122 1.00 0.00 N ATOM 525 CA GLU A 32 3.013 -18.714 -2.946 1.00 0.00 C ATOM 526 C GLU A 32 3.170 -17.245 -3.333 1.00 0.00 C ATOM 527 O GLU A 32 2.370 -16.401 -2.936 1.00 0.00 O ATOM 528 CB GLU A 32 4.079 -19.103 -1.918 1.00 0.00 C ATOM 529 CG GLU A 32 3.901 -18.448 -0.556 1.00 0.00 C ATOM 530 CD GLU A 32 2.637 -18.897 0.153 1.00 0.00 C ATOM 531 OE1 GLU A 32 2.414 -20.121 0.261 1.00 0.00 O ATOM 532 OE2 GLU A 32 1.869 -18.031 0.623 1.00 0.00 O ATOM 0 H GLU A 32 3.894 -20.231 -4.083 1.00 0.00 H new ATOM 0 HA GLU A 32 2.026 -18.854 -2.506 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.068 -20.186 -1.792 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.060 -18.837 -2.311 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.764 -18.679 0.069 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.878 -17.365 -0.679 1.00 0.00 H new ATOM 539 N LEU A 33 4.194 -16.952 -4.125 1.00 0.00 N ATOM 540 CA LEU A 33 4.454 -15.584 -4.568 1.00 0.00 C ATOM 541 C LEU A 33 3.293 -15.046 -5.401 1.00 0.00 C ATOM 542 O LEU A 33 2.907 -13.885 -5.266 1.00 0.00 O ATOM 543 CB LEU A 33 5.752 -15.520 -5.374 1.00 0.00 C ATOM 544 CG LEU A 33 7.022 -15.876 -4.595 1.00 0.00 C ATOM 545 CD1 LEU A 33 8.234 -15.863 -5.515 1.00 0.00 C ATOM 546 CD2 LEU A 33 7.227 -14.910 -3.437 1.00 0.00 C ATOM 0 H LEU A 33 4.859 -17.642 -4.475 1.00 0.00 H new ATOM 0 HA LEU A 33 4.557 -14.959 -3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.666 -16.195 -6.225 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.862 -14.513 -5.776 1.00 0.00 H new ATOM 0 HG LEU A 33 6.905 -16.881 -4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.127 -16.118 -4.944 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.093 -16.592 -6.313 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.352 -14.870 -5.948 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.134 -15.179 -2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.322 -13.895 -3.822 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.372 -14.964 -2.763 1.00 0.00 H new ATOM 558 N ALA A 34 2.737 -15.894 -6.258 1.00 0.00 N ATOM 559 CA ALA A 34 1.592 -15.514 -7.080 1.00 0.00 C ATOM 560 C ALA A 34 0.371 -15.243 -6.207 1.00 0.00 C ATOM 561 O ALA A 34 -0.449 -14.373 -6.510 1.00 0.00 O ATOM 562 CB ALA A 34 1.288 -16.601 -8.101 1.00 0.00 C ATOM 0 H ALA A 34 3.060 -16.851 -6.403 1.00 0.00 H new ATOM 0 HA ALA A 34 1.840 -14.597 -7.615 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.432 -16.303 -8.706 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.155 -16.747 -8.746 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.060 -17.533 -7.583 1.00 0.00 H new ATOM 568 N ARG A 35 0.261 -15.993 -5.121 1.00 0.00 N ATOM 569 CA ARG A 35 -0.826 -15.815 -4.173 1.00 0.00 C ATOM 570 C ARG A 35 -0.664 -14.482 -3.451 1.00 0.00 C ATOM 571 O ARG A 35 -1.615 -13.715 -3.306 1.00 0.00 O ATOM 572 CB ARG A 35 -0.828 -16.951 -3.149 1.00 0.00 C ATOM 573 CG ARG A 35 -2.214 -17.324 -2.656 1.00 0.00 C ATOM 574 CD ARG A 35 -2.784 -18.495 -3.444 1.00 0.00 C ATOM 575 NE ARG A 35 -2.717 -18.283 -4.889 1.00 0.00 N ATOM 576 CZ ARG A 35 -2.400 -19.238 -5.762 1.00 0.00 C ATOM 577 NH1 ARG A 35 -2.067 -20.451 -5.333 1.00 0.00 N ATOM 578 NH2 ARG A 35 -2.385 -18.967 -7.058 1.00 0.00 N ATOM 0 H ARG A 35 0.916 -16.735 -4.874 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.771 -15.825 -4.717 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.361 -17.830 -3.593 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.214 -16.661 -2.296 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.169 -17.582 -1.598 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.878 -16.464 -2.746 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.237 -19.402 -3.187 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.822 -18.655 -3.151 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.925 -17.351 -5.249 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.054 -20.653 -4.333 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.825 -21.180 -6.004 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.616 -18.029 -7.386 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.143 -19.696 -7.729 1.00 0.00 H new ATOM 592 N LEU A 36 0.562 -14.223 -3.014 1.00 0.00 N ATOM 593 CA LEU A 36 0.900 -12.993 -2.313 1.00 0.00 C ATOM 594 C LEU A 36 0.689 -11.779 -3.207 1.00 0.00 C ATOM 595 O LEU A 36 0.153 -10.763 -2.772 1.00 0.00 O ATOM 596 CB LEU A 36 2.355 -13.051 -1.849 1.00 0.00 C ATOM 597 CG LEU A 36 2.675 -14.170 -0.859 1.00 0.00 C ATOM 598 CD1 LEU A 36 4.176 -14.272 -0.646 1.00 0.00 C ATOM 599 CD2 LEU A 36 1.959 -13.933 0.463 1.00 0.00 C ATOM 0 H LEU A 36 1.349 -14.860 -3.136 1.00 0.00 H new ATOM 0 HA LEU A 36 0.243 -12.896 -1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.995 -13.167 -2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.612 -12.096 -1.390 1.00 0.00 H new ATOM 0 HG LEU A 36 2.321 -15.114 -1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.389 -15.073 0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.665 -14.487 -1.596 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.552 -13.329 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.198 -14.740 1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.283 -12.982 0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.882 -13.907 0.294 1.00 0.00 H new ATOM 611 N ASN A 37 1.117 -11.899 -4.459 1.00 0.00 N ATOM 612 CA ASN A 37 0.959 -10.828 -5.437 1.00 0.00 C ATOM 613 C ASN A 37 -0.510 -10.442 -5.574 1.00 0.00 C ATOM 614 O ASN A 37 -0.852 -9.258 -5.559 1.00 0.00 O ATOM 615 CB ASN A 37 1.528 -11.259 -6.797 1.00 0.00 C ATOM 616 CG ASN A 37 1.366 -10.195 -7.870 1.00 0.00 C ATOM 617 OD1 ASN A 37 0.375 -10.177 -8.596 1.00 0.00 O ATOM 618 ND2 ASN A 37 2.339 -9.302 -7.977 1.00 0.00 N ATOM 0 H ASN A 37 1.579 -12.733 -4.822 1.00 0.00 H new ATOM 0 HA ASN A 37 1.513 -9.957 -5.088 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.586 -11.496 -6.684 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.030 -12.173 -7.121 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.281 -8.566 -8.681 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.146 -9.350 -7.355 1.00 0.00 H new ATOM 625 N GLN A 38 -1.368 -11.450 -5.691 1.00 0.00 N ATOM 626 CA GLN A 38 -2.803 -11.251 -5.764 1.00 0.00 C ATOM 627 C GLN A 38 -3.311 -10.492 -4.541 1.00 0.00 C ATOM 628 O GLN A 38 -4.142 -9.592 -4.660 1.00 0.00 O ATOM 629 CB GLN A 38 -3.465 -12.623 -5.863 1.00 0.00 C ATOM 630 CG GLN A 38 -4.710 -12.654 -6.716 1.00 0.00 C ATOM 631 CD GLN A 38 -5.989 -12.555 -5.906 1.00 0.00 C ATOM 632 OE1 GLN A 38 -6.504 -11.466 -5.654 1.00 0.00 O ATOM 633 NE2 GLN A 38 -6.510 -13.698 -5.495 1.00 0.00 N ATOM 0 H GLN A 38 -1.083 -12.428 -5.738 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.051 -10.651 -6.640 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.744 -13.333 -6.268 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.718 -12.964 -4.859 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.675 -11.831 -7.430 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.724 -13.578 -7.295 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.052 -14.580 -5.725 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.371 -13.699 -4.947 1.00 0.00 H new ATOM 642 N GLU A 39 -2.787 -10.844 -3.374 1.00 0.00 N ATOM 643 CA GLU A 39 -3.189 -10.208 -2.129 1.00 0.00 C ATOM 644 C GLU A 39 -2.732 -8.748 -2.094 1.00 0.00 C ATOM 645 O GLU A 39 -3.473 -7.868 -1.663 1.00 0.00 O ATOM 646 CB GLU A 39 -2.601 -10.970 -0.941 1.00 0.00 C ATOM 647 CG GLU A 39 -3.230 -10.608 0.391 1.00 0.00 C ATOM 648 CD GLU A 39 -4.677 -11.046 0.489 1.00 0.00 C ATOM 649 OE1 GLU A 39 -4.927 -12.269 0.551 1.00 0.00 O ATOM 650 OE2 GLU A 39 -5.573 -10.178 0.525 1.00 0.00 O ATOM 0 H GLU A 39 -2.079 -11.570 -3.265 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.277 -10.229 -2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.723 -12.040 -1.111 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.530 -10.776 -0.891 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.659 -11.070 1.196 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.170 -9.529 0.536 1.00 0.00 H new ATOM 657 N ILE A 40 -1.512 -8.499 -2.560 1.00 0.00 N ATOM 658 CA ILE A 40 -0.969 -7.144 -2.592 1.00 0.00 C ATOM 659 C ILE A 40 -1.817 -6.244 -3.487 1.00 0.00 C ATOM 660 O ILE A 40 -2.236 -5.164 -3.073 1.00 0.00 O ATOM 661 CB ILE A 40 0.496 -7.125 -3.088 1.00 0.00 C ATOM 662 CG1 ILE A 40 1.390 -7.938 -2.147 1.00 0.00 C ATOM 663 CG2 ILE A 40 1.007 -5.696 -3.198 1.00 0.00 C ATOM 664 CD1 ILE A 40 2.837 -8.017 -2.593 1.00 0.00 C ATOM 0 H ILE A 40 -0.881 -9.215 -2.920 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.992 -6.767 -1.569 1.00 0.00 H new ATOM 0 HB ILE A 40 0.528 -7.580 -4.078 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.350 -7.496 -1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.990 -8.948 -2.064 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.039 -5.705 -3.548 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.389 -5.142 -3.904 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.960 -5.216 -2.220 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.407 -8.609 -1.876 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.890 -8.487 -3.575 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.256 -7.012 -2.649 1.00 0.00 H new ATOM 676 N VAL A 41 -2.089 -6.705 -4.703 1.00 0.00 N ATOM 677 CA VAL A 41 -2.901 -5.940 -5.644 1.00 0.00 C ATOM 678 C VAL A 41 -4.300 -5.712 -5.073 1.00 0.00 C ATOM 679 O VAL A 41 -4.896 -4.649 -5.251 1.00 0.00 O ATOM 680 CB VAL A 41 -3.009 -6.654 -7.009 1.00 0.00 C ATOM 681 CG1 VAL A 41 -3.853 -5.848 -7.986 1.00 0.00 C ATOM 682 CG2 VAL A 41 -1.625 -6.906 -7.586 1.00 0.00 C ATOM 0 H VAL A 41 -1.760 -7.602 -5.060 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.409 -4.980 -5.798 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.503 -7.613 -6.850 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.911 -6.376 -8.938 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.857 -5.720 -7.580 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.397 -4.870 -8.140 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.718 -7.410 -8.548 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.109 -5.956 -7.723 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.054 -7.534 -6.902 1.00 0.00 H new ATOM 692 N LYS A 42 -4.806 -6.723 -4.381 1.00 0.00 N ATOM 693 CA LYS A 42 -6.108 -6.644 -3.732 1.00 0.00 C ATOM 694 C LYS A 42 -6.123 -5.560 -2.653 1.00 0.00 C ATOM 695 O LYS A 42 -7.040 -4.737 -2.599 1.00 0.00 O ATOM 696 CB LYS A 42 -6.451 -8.001 -3.112 1.00 0.00 C ATOM 697 CG LYS A 42 -7.759 -8.025 -2.341 1.00 0.00 C ATOM 698 CD LYS A 42 -8.959 -7.864 -3.254 1.00 0.00 C ATOM 699 CE LYS A 42 -10.258 -7.996 -2.476 1.00 0.00 C ATOM 700 NZ LYS A 42 -10.340 -9.298 -1.757 1.00 0.00 N ATOM 0 H LYS A 42 -4.330 -7.616 -4.254 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.853 -6.382 -4.483 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.497 -8.748 -3.905 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.643 -8.296 -2.442 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.842 -8.965 -1.796 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.758 -7.226 -1.600 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.921 -6.890 -3.742 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.925 -8.617 -4.042 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.337 -7.179 -1.759 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.102 -7.904 -3.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.320 -9.465 -1.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.039 -10.065 -2.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.718 -9.274 -0.924 1.00 0.00 H new ATOM 714 N ALA A 43 -5.093 -5.553 -1.818 1.00 0.00 N ATOM 715 CA ALA A 43 -5.006 -4.609 -0.713 1.00 0.00 C ATOM 716 C ALA A 43 -4.846 -3.182 -1.216 1.00 0.00 C ATOM 717 O ALA A 43 -5.543 -2.276 -0.759 1.00 0.00 O ATOM 718 CB ALA A 43 -3.857 -4.977 0.209 1.00 0.00 C ATOM 0 H ALA A 43 -4.302 -6.194 -1.886 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.939 -4.664 -0.152 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.806 -4.262 1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.018 -5.978 0.610 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.921 -4.956 -0.350 1.00 0.00 H new ATOM 724 N GLU A 44 -3.935 -2.992 -2.161 1.00 0.00 N ATOM 725 CA GLU A 44 -3.669 -1.670 -2.716 1.00 0.00 C ATOM 726 C GLU A 44 -4.927 -1.082 -3.348 1.00 0.00 C ATOM 727 O GLU A 44 -5.260 0.078 -3.117 1.00 0.00 O ATOM 728 CB GLU A 44 -2.545 -1.742 -3.753 1.00 0.00 C ATOM 729 CG GLU A 44 -1.202 -2.167 -3.178 1.00 0.00 C ATOM 730 CD GLU A 44 -0.637 -1.162 -2.196 1.00 0.00 C ATOM 731 OE1 GLU A 44 0.105 -0.250 -2.623 1.00 0.00 O ATOM 732 OE2 GLU A 44 -0.904 -1.272 -0.994 1.00 0.00 O ATOM 0 H GLU A 44 -3.366 -3.738 -2.561 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.356 -1.018 -1.900 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.832 -2.443 -4.537 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.435 -0.765 -4.224 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.314 -3.130 -2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.492 -2.310 -3.993 1.00 0.00 H new ATOM 739 N LYS A 45 -5.634 -1.892 -4.133 1.00 0.00 N ATOM 740 CA LYS A 45 -6.855 -1.440 -4.797 1.00 0.00 C ATOM 741 C LYS A 45 -7.925 -1.075 -3.768 1.00 0.00 C ATOM 742 O LYS A 45 -8.649 -0.089 -3.933 1.00 0.00 O ATOM 743 CB LYS A 45 -7.385 -2.513 -5.750 1.00 0.00 C ATOM 744 CG LYS A 45 -8.651 -2.098 -6.481 1.00 0.00 C ATOM 745 CD LYS A 45 -9.095 -3.151 -7.479 1.00 0.00 C ATOM 746 CE LYS A 45 -10.380 -2.741 -8.180 1.00 0.00 C ATOM 747 NZ LYS A 45 -10.783 -3.721 -9.219 1.00 0.00 N ATOM 0 H LYS A 45 -5.384 -2.862 -4.325 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.612 -0.551 -5.378 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.613 -2.752 -6.482 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.582 -3.424 -5.186 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.448 -1.923 -5.758 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.479 -1.155 -7.000 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.309 -3.309 -8.218 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.245 -4.101 -6.966 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.179 -2.643 -7.445 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.246 -1.761 -8.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.664 -3.404 -9.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.032 -3.796 -9.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.936 -4.651 -8.779 1.00 0.00 H new ATOM 761 N GLN A 46 -8.014 -1.873 -2.710 1.00 0.00 N ATOM 762 CA GLN A 46 -8.944 -1.608 -1.620 1.00 0.00 C ATOM 763 C GLN A 46 -8.607 -0.275 -0.965 1.00 0.00 C ATOM 764 O GLN A 46 -9.487 0.548 -0.706 1.00 0.00 O ATOM 765 CB GLN A 46 -8.876 -2.735 -0.590 1.00 0.00 C ATOM 766 CG GLN A 46 -9.844 -2.580 0.575 1.00 0.00 C ATOM 767 CD GLN A 46 -11.294 -2.454 0.134 1.00 0.00 C ATOM 768 OE1 GLN A 46 -11.695 -2.972 -0.910 1.00 0.00 O ATOM 769 NE2 GLN A 46 -12.098 -1.773 0.937 1.00 0.00 N ATOM 0 H GLN A 46 -7.450 -2.713 -2.584 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.957 -1.559 -2.019 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -9.078 -3.682 -1.091 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.861 -2.792 -0.198 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.746 -3.440 1.238 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.569 -1.698 1.153 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.731 -1.358 1.793 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -13.084 -1.664 0.699 1.00 0.00 H new ATOM 778 N GLY A 47 -7.321 -0.078 -0.712 1.00 0.00 N ATOM 779 CA GLY A 47 -6.844 1.168 -0.146 1.00 0.00 C ATOM 780 C GLY A 47 -7.184 2.362 -1.018 1.00 0.00 C ATOM 781 O GLY A 47 -7.578 3.409 -0.509 1.00 0.00 O ATOM 0 H GLY A 47 -6.591 -0.768 -0.891 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.281 1.307 0.843 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.764 1.114 -0.012 1.00 0.00 H new ATOM 785 N VAL A 48 -7.071 2.188 -2.332 1.00 0.00 N ATOM 786 CA VAL A 48 -7.346 3.261 -3.286 1.00 0.00 C ATOM 787 C VAL A 48 -8.758 3.825 -3.096 1.00 0.00 C ATOM 788 O VAL A 48 -8.960 5.041 -3.134 1.00 0.00 O ATOM 789 CB VAL A 48 -7.170 2.772 -4.747 1.00 0.00 C ATOM 790 CG1 VAL A 48 -7.676 3.800 -5.749 1.00 0.00 C ATOM 791 CG2 VAL A 48 -5.713 2.444 -5.026 1.00 0.00 C ATOM 0 H VAL A 48 -6.789 1.308 -2.764 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.624 4.054 -3.093 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.768 1.868 -4.864 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.536 3.421 -6.761 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.736 3.987 -5.575 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.119 4.730 -5.629 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.608 2.102 -6.056 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.104 3.335 -4.875 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.380 1.659 -4.347 1.00 0.00 H new ATOM 801 N LYS A 49 -9.727 2.945 -2.876 1.00 0.00 N ATOM 802 CA LYS A 49 -11.098 3.381 -2.656 1.00 0.00 C ATOM 803 C LYS A 49 -11.208 4.172 -1.355 1.00 0.00 C ATOM 804 O LYS A 49 -11.925 5.170 -1.279 1.00 0.00 O ATOM 805 CB LYS A 49 -12.050 2.189 -2.612 1.00 0.00 C ATOM 806 CG LYS A 49 -13.509 2.599 -2.681 1.00 0.00 C ATOM 807 CD LYS A 49 -14.439 1.412 -2.532 1.00 0.00 C ATOM 808 CE LYS A 49 -15.890 1.828 -2.709 1.00 0.00 C ATOM 809 NZ LYS A 49 -16.822 0.700 -2.464 1.00 0.00 N ATOM 0 H LYS A 49 -9.590 1.935 -2.845 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.379 4.024 -3.490 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.826 1.520 -3.443 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.878 1.626 -1.694 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.719 3.325 -1.896 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.702 3.094 -3.633 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -14.183 0.651 -3.269 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.304 0.961 -1.549 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -16.120 2.644 -2.024 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -16.038 2.208 -3.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.801 1.024 -2.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -16.620 -0.069 -3.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -16.699 0.353 -1.491 1.00 0.00 H new ATOM 823 N VAL A 50 -10.491 3.718 -0.335 1.00 0.00 N ATOM 824 CA VAL A 50 -10.482 4.395 0.961 1.00 0.00 C ATOM 825 C VAL A 50 -9.859 5.784 0.835 1.00 0.00 C ATOM 826 O VAL A 50 -10.318 6.743 1.459 1.00 0.00 O ATOM 827 CB VAL A 50 -9.713 3.577 2.024 1.00 0.00 C ATOM 828 CG1 VAL A 50 -9.800 4.240 3.391 1.00 0.00 C ATOM 829 CG2 VAL A 50 -10.236 2.149 2.087 1.00 0.00 C ATOM 0 H VAL A 50 -9.907 2.883 -0.378 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.518 4.490 1.285 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.664 3.546 1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.251 3.644 4.120 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.367 5.239 3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.844 4.312 3.694 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.681 1.591 2.841 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -11.294 2.160 2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.108 1.672 1.116 1.00 0.00 H new ATOM 839 N TYR A 51 -8.819 5.888 0.016 1.00 0.00 N ATOM 840 CA TYR A 51 -8.191 7.174 -0.260 1.00 0.00 C ATOM 841 C TYR A 51 -9.139 8.086 -1.026 1.00 0.00 C ATOM 842 O TYR A 51 -9.161 9.292 -0.801 1.00 0.00 O ATOM 843 CB TYR A 51 -6.883 6.990 -1.032 1.00 0.00 C ATOM 844 CG TYR A 51 -5.722 6.588 -0.156 1.00 0.00 C ATOM 845 CD1 TYR A 51 -4.952 7.551 0.478 1.00 0.00 C ATOM 846 CD2 TYR A 51 -5.406 5.255 0.055 1.00 0.00 C ATOM 847 CE1 TYR A 51 -3.899 7.199 1.293 1.00 0.00 C ATOM 848 CE2 TYR A 51 -4.353 4.891 0.867 1.00 0.00 C ATOM 849 CZ TYR A 51 -3.603 5.867 1.485 1.00 0.00 C ATOM 850 OH TYR A 51 -2.566 5.513 2.307 1.00 0.00 O ATOM 0 H TYR A 51 -8.393 5.098 -0.468 1.00 0.00 H new ATOM 0 HA TYR A 51 -7.959 7.645 0.695 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.028 6.232 -1.802 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.638 7.921 -1.544 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.182 8.596 0.330 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.995 4.488 -0.425 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.309 7.962 1.779 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.118 3.848 1.017 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.921 5.101 3.122 1.00 0.00 H new ATOM 860 N LYS A 52 -9.922 7.500 -1.929 1.00 0.00 N ATOM 861 CA LYS A 52 -10.970 8.238 -2.630 1.00 0.00 C ATOM 862 C LYS A 52 -11.937 8.849 -1.627 1.00 0.00 C ATOM 863 O LYS A 52 -12.263 10.030 -1.698 1.00 0.00 O ATOM 864 CB LYS A 52 -11.735 7.298 -3.566 1.00 0.00 C ATOM 865 CG LYS A 52 -12.991 7.908 -4.171 1.00 0.00 C ATOM 866 CD LYS A 52 -13.756 6.887 -4.999 1.00 0.00 C ATOM 867 CE LYS A 52 -15.171 7.352 -5.311 1.00 0.00 C ATOM 868 NZ LYS A 52 -15.199 8.581 -6.146 1.00 0.00 N ATOM 0 H LYS A 52 -9.851 6.517 -2.192 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.507 9.033 -3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.071 6.987 -4.372 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.010 6.399 -3.015 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -13.632 8.289 -3.376 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.720 8.758 -4.797 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.221 6.702 -5.931 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.796 5.940 -4.461 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -15.706 6.555 -5.827 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -15.702 7.540 -4.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -16.174 8.768 -6.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.852 9.387 -5.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -14.590 8.449 -6.979 1.00 0.00 H new ATOM 882 N GLU A 53 -12.355 8.029 -0.675 1.00 0.00 N ATOM 883 CA GLU A 53 -13.247 8.460 0.387 1.00 0.00 C ATOM 884 C GLU A 53 -12.654 9.624 1.167 1.00 0.00 C ATOM 885 O GLU A 53 -13.310 10.642 1.366 1.00 0.00 O ATOM 886 CB GLU A 53 -13.522 7.289 1.326 1.00 0.00 C ATOM 887 CG GLU A 53 -14.731 6.460 0.933 1.00 0.00 C ATOM 888 CD GLU A 53 -16.034 7.201 1.154 1.00 0.00 C ATOM 889 OE1 GLU A 53 -16.578 7.125 2.279 1.00 0.00 O ATOM 890 OE2 GLU A 53 -16.522 7.858 0.212 1.00 0.00 O ATOM 0 H GLU A 53 -12.085 7.047 -0.618 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.180 8.799 -0.063 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -12.644 6.644 1.354 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -13.668 7.672 2.336 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.650 6.178 -0.117 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -14.739 5.536 1.511 1.00 0.00 H new ATOM 897 N ALA A 54 -11.408 9.478 1.586 1.00 0.00 N ATOM 898 CA ALA A 54 -10.753 10.500 2.392 1.00 0.00 C ATOM 899 C ALA A 54 -10.506 11.776 1.595 1.00 0.00 C ATOM 900 O ALA A 54 -10.564 12.871 2.144 1.00 0.00 O ATOM 901 CB ALA A 54 -9.448 9.966 2.965 1.00 0.00 C ATOM 0 H ALA A 54 -10.829 8.663 1.383 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.423 10.753 3.214 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.970 10.741 3.565 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.654 9.098 3.591 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.784 9.677 2.150 1.00 0.00 H new ATOM 907 N ALA A 55 -10.222 11.631 0.308 1.00 0.00 N ATOM 908 CA ALA A 55 -9.997 12.780 -0.561 1.00 0.00 C ATOM 909 C ALA A 55 -11.277 13.587 -0.757 1.00 0.00 C ATOM 910 O ALA A 55 -11.246 14.816 -0.806 1.00 0.00 O ATOM 911 CB ALA A 55 -9.448 12.331 -1.905 1.00 0.00 C ATOM 0 H ALA A 55 -10.142 10.728 -0.159 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.263 13.424 -0.077 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.286 13.201 -2.541 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.503 11.809 -1.756 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.161 11.660 -2.383 1.00 0.00 H new ATOM 917 N GLU A 56 -12.402 12.891 -0.860 1.00 0.00 N ATOM 918 CA GLU A 56 -13.686 13.543 -1.085 1.00 0.00 C ATOM 919 C GLU A 56 -14.263 14.039 0.237 1.00 0.00 C ATOM 920 O GLU A 56 -14.937 15.070 0.293 1.00 0.00 O ATOM 921 CB GLU A 56 -14.659 12.578 -1.767 1.00 0.00 C ATOM 922 CG GLU A 56 -14.109 11.982 -3.054 1.00 0.00 C ATOM 923 CD GLU A 56 -15.051 10.993 -3.707 1.00 0.00 C ATOM 924 OE1 GLU A 56 -15.786 10.281 -2.987 1.00 0.00 O ATOM 925 OE2 GLU A 56 -15.052 10.911 -4.954 1.00 0.00 O ATOM 0 H GLU A 56 -12.451 11.875 -0.791 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.534 14.400 -1.741 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.904 11.771 -1.076 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.588 13.104 -1.986 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.895 12.787 -3.757 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.163 11.485 -2.841 1.00 0.00 H new ATOM 932 N LYS A 57 -13.975 13.303 1.297 1.00 0.00 N ATOM 933 CA LYS A 57 -14.406 13.670 2.638 1.00 0.00 C ATOM 934 C LYS A 57 -13.369 14.553 3.318 1.00 0.00 C ATOM 935 O LYS A 57 -13.425 14.789 4.526 1.00 0.00 O ATOM 936 CB LYS A 57 -14.656 12.407 3.454 1.00 0.00 C ATOM 937 CG LYS A 57 -16.002 11.759 3.164 1.00 0.00 C ATOM 938 CD LYS A 57 -15.955 10.248 3.340 1.00 0.00 C ATOM 939 CE LYS A 57 -15.470 9.842 4.721 1.00 0.00 C ATOM 940 NZ LYS A 57 -15.413 8.363 4.868 1.00 0.00 N ATOM 0 H LYS A 57 -13.438 12.437 1.254 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.332 14.240 2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.863 11.688 3.249 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.599 12.651 4.515 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.757 12.178 3.829 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.307 11.996 2.145 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.949 9.834 3.170 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.297 9.817 2.585 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.481 10.264 4.899 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.135 10.258 5.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.170 8.048 5.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.539 7.917 3.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.490 8.089 5.262 1.00 0.00 H new ATOM 954 N ALA A 58 -12.416 15.038 2.536 1.00 0.00 N ATOM 955 CA ALA A 58 -11.413 15.949 3.044 1.00 0.00 C ATOM 956 C ALA A 58 -12.012 17.326 3.278 1.00 0.00 C ATOM 957 O ALA A 58 -12.294 18.067 2.332 1.00 0.00 O ATOM 958 CB ALA A 58 -10.238 16.039 2.087 1.00 0.00 C ATOM 0 H ALA A 58 -12.320 14.813 1.546 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.052 15.562 3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.495 16.729 2.487 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.790 15.053 1.967 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.584 16.400 1.119 1.00 0.00 H new ATOM 964 N ARG A 59 -12.240 17.643 4.542 1.00 0.00 N ATOM 965 CA ARG A 59 -12.732 18.957 4.927 1.00 0.00 C ATOM 966 C ARG A 59 -11.639 19.997 4.714 1.00 0.00 C ATOM 967 O ARG A 59 -11.888 21.087 4.200 1.00 0.00 O ATOM 968 CB ARG A 59 -13.180 18.931 6.393 1.00 0.00 C ATOM 969 CG ARG A 59 -13.801 20.230 6.881 1.00 0.00 C ATOM 970 CD ARG A 59 -14.352 20.068 8.288 1.00 0.00 C ATOM 971 NE ARG A 59 -14.982 21.288 8.783 1.00 0.00 N ATOM 972 CZ ARG A 59 -16.185 21.326 9.353 1.00 0.00 C ATOM 973 NH1 ARG A 59 -16.899 20.220 9.479 1.00 0.00 N ATOM 974 NH2 ARG A 59 -16.678 22.472 9.796 1.00 0.00 N ATOM 0 H ARG A 59 -12.091 17.005 5.324 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.589 19.224 4.308 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -13.901 18.125 6.526 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -12.320 18.695 7.019 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -13.054 21.024 6.867 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.600 20.533 6.205 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.080 19.256 8.299 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -13.544 19.781 8.961 1.00 0.00 H new ATOM 0 HE ARG A 59 -14.470 22.165 8.686 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.529 19.332 9.139 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -17.820 20.254 9.916 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -16.136 23.331 9.701 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.600 22.496 10.232 1.00 0.00 H new ATOM 988 N ASN A 60 -10.421 19.636 5.096 1.00 0.00 N ATOM 989 CA ASN A 60 -9.263 20.499 4.907 1.00 0.00 C ATOM 990 C ASN A 60 -8.591 20.195 3.568 1.00 0.00 C ATOM 991 O ASN A 60 -8.182 19.059 3.312 1.00 0.00 O ATOM 992 CB ASN A 60 -8.273 20.327 6.068 1.00 0.00 C ATOM 993 CG ASN A 60 -6.943 21.008 5.807 1.00 0.00 C ATOM 994 OD1 ASN A 60 -6.009 20.386 5.303 1.00 0.00 O ATOM 995 ND2 ASN A 60 -6.850 22.284 6.138 1.00 0.00 N ATOM 0 H ASN A 60 -10.209 18.744 5.542 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.595 21.537 4.896 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.713 20.734 6.979 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.105 19.264 6.243 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.979 22.790 5.978 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.649 22.763 6.554 1.00 0.00 H new ATOM 1002 N PRO A 61 -8.483 21.213 2.700 1.00 0.00 N ATOM 1003 CA PRO A 61 -7.943 21.057 1.341 1.00 0.00 C ATOM 1004 C PRO A 61 -6.470 20.648 1.314 1.00 0.00 C ATOM 1005 O PRO A 61 -6.036 19.940 0.402 1.00 0.00 O ATOM 1006 CB PRO A 61 -8.119 22.443 0.715 1.00 0.00 C ATOM 1007 CG PRO A 61 -8.247 23.379 1.866 1.00 0.00 C ATOM 1008 CD PRO A 61 -8.901 22.598 2.968 1.00 0.00 C ATOM 0 HA PRO A 61 -8.459 20.259 0.807 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.266 22.703 0.089 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -9.003 22.478 0.079 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.270 23.749 2.178 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.846 24.249 1.596 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.570 22.935 3.950 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.986 22.702 2.945 1.00 0.00 H new ATOM 1016 N GLU A 62 -5.702 21.087 2.308 1.00 0.00 N ATOM 1017 CA GLU A 62 -4.295 20.765 2.383 1.00 0.00 C ATOM 1018 C GLU A 62 -4.098 19.263 2.540 1.00 0.00 C ATOM 1019 O GLU A 62 -3.249 18.662 1.877 1.00 0.00 O ATOM 1020 CB GLU A 62 -3.661 21.500 3.560 1.00 0.00 C ATOM 1021 CG GLU A 62 -3.402 22.982 3.326 1.00 0.00 C ATOM 1022 CD GLU A 62 -4.657 23.779 3.039 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -5.619 23.683 3.827 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -4.677 24.513 2.026 1.00 0.00 O ATOM 0 H GLU A 62 -6.041 21.670 3.073 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.813 21.082 1.458 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.310 21.392 4.429 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.716 21.015 3.806 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.910 23.399 4.204 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.711 23.094 2.490 1.00 0.00 H new ATOM 1031 N LYS A 63 -4.904 18.663 3.406 1.00 0.00 N ATOM 1032 CA LYS A 63 -4.846 17.231 3.639 1.00 0.00 C ATOM 1033 C LYS A 63 -5.260 16.473 2.384 1.00 0.00 C ATOM 1034 O LYS A 63 -4.733 15.402 2.091 1.00 0.00 O ATOM 1035 CB LYS A 63 -5.758 16.833 4.807 1.00 0.00 C ATOM 1036 CG LYS A 63 -5.552 15.400 5.278 1.00 0.00 C ATOM 1037 CD LYS A 63 -6.623 14.963 6.269 1.00 0.00 C ATOM 1038 CE LYS A 63 -7.970 14.791 5.583 1.00 0.00 C ATOM 1039 NZ LYS A 63 -9.021 14.318 6.520 1.00 0.00 N ATOM 0 H LYS A 63 -5.608 19.151 3.960 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.818 16.971 3.892 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.581 17.510 5.642 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.798 16.962 4.506 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.561 14.731 4.417 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.570 15.309 5.743 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.328 14.024 6.737 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.709 15.703 7.065 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.277 15.741 5.145 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.870 14.080 4.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.954 14.408 6.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.848 13.321 6.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.998 14.893 7.386 1.00 0.00 H new ATOM 1053 N ARG A 64 -6.197 17.048 1.631 1.00 0.00 N ATOM 1054 CA ARG A 64 -6.709 16.402 0.430 1.00 0.00 C ATOM 1055 C ARG A 64 -5.598 16.172 -0.586 1.00 0.00 C ATOM 1056 O ARG A 64 -5.514 15.099 -1.175 1.00 0.00 O ATOM 1057 CB ARG A 64 -7.825 17.223 -0.220 1.00 0.00 C ATOM 1058 CG ARG A 64 -8.379 16.570 -1.479 1.00 0.00 C ATOM 1059 CD ARG A 64 -9.352 17.476 -2.217 1.00 0.00 C ATOM 1060 NE ARG A 64 -9.728 16.915 -3.516 1.00 0.00 N ATOM 1061 CZ ARG A 64 -9.140 17.243 -4.669 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -8.155 18.133 -4.686 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -9.537 16.678 -5.804 1.00 0.00 N ATOM 0 H ARG A 64 -6.614 17.957 1.833 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.117 15.440 0.740 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.633 17.362 0.498 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.444 18.214 -0.467 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.555 16.308 -2.143 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.882 15.640 -1.213 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.246 17.623 -1.610 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.900 18.457 -2.361 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.485 16.232 -3.542 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.846 18.568 -3.817 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.708 18.382 -5.568 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.292 15.992 -5.796 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.087 16.930 -6.684 1.00 0.00 H new ATOM 1077 N GLN A 65 -4.741 17.169 -0.783 1.00 0.00 N ATOM 1078 CA GLN A 65 -3.674 17.060 -1.775 1.00 0.00 C ATOM 1079 C GLN A 65 -2.675 15.991 -1.374 1.00 0.00 C ATOM 1080 O GLN A 65 -2.207 15.218 -2.209 1.00 0.00 O ATOM 1081 CB GLN A 65 -2.956 18.394 -1.955 1.00 0.00 C ATOM 1082 CG GLN A 65 -1.955 18.379 -3.098 1.00 0.00 C ATOM 1083 CD GLN A 65 -1.511 19.760 -3.518 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -2.122 20.380 -4.390 1.00 0.00 O ATOM 1085 NE2 GLN A 65 -0.453 20.257 -2.898 1.00 0.00 N ATOM 0 H GLN A 65 -4.762 18.053 -0.275 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.132 16.779 -2.723 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.694 19.176 -2.135 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.439 18.650 -1.030 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -1.082 17.799 -2.800 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.399 17.871 -3.954 1.00 0.00 H new ATOM 0 HE21 GLN A 65 0.023 19.708 -2.182 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -0.113 21.189 -3.136 1.00 0.00 H new ATOM 1094 N VAL A 66 -2.362 15.947 -0.091 1.00 0.00 N ATOM 1095 CA VAL A 66 -1.480 14.916 0.437 1.00 0.00 C ATOM 1096 C VAL A 66 -2.077 13.533 0.177 1.00 0.00 C ATOM 1097 O VAL A 66 -1.393 12.633 -0.306 1.00 0.00 O ATOM 1098 CB VAL A 66 -1.234 15.096 1.952 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -0.281 14.031 2.478 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -0.699 16.490 2.245 1.00 0.00 C ATOM 0 H VAL A 66 -2.703 16.610 0.605 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.522 15.008 -0.075 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.187 14.979 2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.124 14.179 3.546 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.709 13.043 2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.673 14.107 1.957 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.532 16.598 3.317 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.242 16.638 1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.423 17.235 1.914 1.00 0.00 H new ATOM 1110 N ILE A 67 -3.364 13.390 0.473 1.00 0.00 N ATOM 1111 CA ILE A 67 -4.083 12.142 0.232 1.00 0.00 C ATOM 1112 C ILE A 67 -4.139 11.826 -1.263 1.00 0.00 C ATOM 1113 O ILE A 67 -3.965 10.678 -1.669 1.00 0.00 O ATOM 1114 CB ILE A 67 -5.519 12.214 0.802 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -5.475 12.391 2.323 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -6.307 10.963 0.441 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -6.838 12.535 2.958 1.00 0.00 C ATOM 0 H ILE A 67 -3.935 14.129 0.883 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.541 11.345 0.741 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.021 13.074 0.360 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.967 11.534 2.765 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.879 13.272 2.560 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.314 11.036 0.852 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.364 10.869 -0.643 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.808 10.087 0.855 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.726 12.656 4.035 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.341 13.409 2.545 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.431 11.644 2.753 1.00 0.00 H new ATOM 1129 N ASP A 68 -4.372 12.852 -2.070 1.00 0.00 N ATOM 1130 CA ASP A 68 -4.442 12.708 -3.523 1.00 0.00 C ATOM 1131 C ASP A 68 -3.122 12.189 -4.084 1.00 0.00 C ATOM 1132 O ASP A 68 -3.104 11.305 -4.943 1.00 0.00 O ATOM 1133 CB ASP A 68 -4.783 14.054 -4.170 1.00 0.00 C ATOM 1134 CG ASP A 68 -4.857 13.985 -5.683 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -5.884 13.511 -6.222 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -3.892 14.416 -6.344 1.00 0.00 O ATOM 0 H ASP A 68 -4.518 13.806 -1.740 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.225 11.986 -3.754 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.739 14.406 -3.781 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.032 14.789 -3.882 1.00 0.00 H new ATOM 1141 N LYS A 69 -2.022 12.746 -3.593 1.00 0.00 N ATOM 1142 CA LYS A 69 -0.694 12.286 -3.997 1.00 0.00 C ATOM 1143 C LYS A 69 -0.477 10.825 -3.600 1.00 0.00 C ATOM 1144 O LYS A 69 0.006 10.022 -4.398 1.00 0.00 O ATOM 1145 CB LYS A 69 0.399 13.165 -3.382 1.00 0.00 C ATOM 1146 CG LYS A 69 1.805 12.733 -3.770 1.00 0.00 C ATOM 1147 CD LYS A 69 2.858 13.674 -3.216 1.00 0.00 C ATOM 1148 CE LYS A 69 4.259 13.208 -3.576 1.00 0.00 C ATOM 1149 NZ LYS A 69 5.301 14.174 -3.146 1.00 0.00 N ATOM 0 H LYS A 69 -2.019 13.512 -2.919 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.633 12.363 -5.083 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.244 14.198 -3.694 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.306 13.143 -2.296 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.990 11.724 -3.401 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.887 12.696 -4.856 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.694 14.678 -3.608 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.760 13.735 -2.132 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.449 12.241 -3.110 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.325 13.061 -4.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.240 13.814 -3.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.137 15.090 -3.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.257 14.295 -2.114 1.00 0.00 H new ATOM 1163 N ILE A 70 -0.854 10.481 -2.374 1.00 0.00 N ATOM 1164 CA ILE A 70 -0.737 9.106 -1.894 1.00 0.00 C ATOM 1165 C ILE A 70 -1.660 8.184 -2.696 1.00 0.00 C ATOM 1166 O ILE A 70 -1.324 7.031 -2.963 1.00 0.00 O ATOM 1167 CB ILE A 70 -1.042 8.981 -0.386 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -0.139 9.924 0.413 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -0.838 7.541 0.077 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -0.431 9.932 1.899 1.00 0.00 C ATOM 0 H ILE A 70 -1.243 11.134 -1.693 1.00 0.00 H new ATOM 0 HA ILE A 70 0.299 8.802 -2.041 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.082 9.259 -0.215 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.901 9.636 0.257 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.251 10.936 0.024 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.056 7.467 1.142 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.507 6.882 -0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.195 7.244 -0.103 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.248 10.623 2.399 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.460 10.250 2.066 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.291 8.929 2.303 1.00 0.00 H new ATOM 1182 N LEU A 71 -2.827 8.704 -3.063 1.00 0.00 N ATOM 1183 CA LEU A 71 -3.757 7.996 -3.929 1.00 0.00 C ATOM 1184 C LEU A 71 -3.058 7.597 -5.225 1.00 0.00 C ATOM 1185 O LEU A 71 -3.250 6.490 -5.734 1.00 0.00 O ATOM 1186 CB LEU A 71 -4.949 8.904 -4.246 1.00 0.00 C ATOM 1187 CG LEU A 71 -6.325 8.287 -4.029 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -7.413 9.319 -4.284 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -6.521 7.079 -4.930 1.00 0.00 C ATOM 0 H LEU A 71 -3.152 9.625 -2.768 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.108 7.097 -3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.872 9.801 -3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.874 9.222 -5.286 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.393 7.956 -2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.391 8.864 -4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.287 10.157 -3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.342 9.676 -5.311 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.510 6.654 -4.759 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.433 7.385 -5.973 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.761 6.331 -4.706 1.00 0.00 H new ATOM 1201 N GLU A 72 -2.237 8.505 -5.742 1.00 0.00 N ATOM 1202 CA GLU A 72 -1.429 8.225 -6.917 1.00 0.00 C ATOM 1203 C GLU A 72 -0.388 7.169 -6.587 1.00 0.00 C ATOM 1204 O GLU A 72 -0.184 6.231 -7.346 1.00 0.00 O ATOM 1205 CB GLU A 72 -0.711 9.487 -7.393 1.00 0.00 C ATOM 1206 CG GLU A 72 0.065 9.288 -8.684 1.00 0.00 C ATOM 1207 CD GLU A 72 1.150 10.325 -8.877 1.00 0.00 C ATOM 1208 OE1 GLU A 72 0.823 11.491 -9.168 1.00 0.00 O ATOM 1209 OE2 GLU A 72 2.343 9.975 -8.733 1.00 0.00 O ATOM 0 H GLU A 72 -2.115 9.444 -5.362 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.091 7.868 -7.706 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.444 10.281 -7.537 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.026 9.822 -6.614 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.513 8.294 -8.685 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.624 9.327 -9.528 1.00 0.00 H new ATOM 1216 N ASP A 73 0.259 7.340 -5.441 1.00 0.00 N ATOM 1217 CA ASP A 73 1.318 6.432 -5.002 1.00 0.00 C ATOM 1218 C ASP A 73 0.823 4.993 -4.905 1.00 0.00 C ATOM 1219 O ASP A 73 1.485 4.081 -5.379 1.00 0.00 O ATOM 1220 CB ASP A 73 1.898 6.859 -3.648 1.00 0.00 C ATOM 1221 CG ASP A 73 2.677 8.158 -3.715 1.00 0.00 C ATOM 1222 OD1 ASP A 73 3.531 8.310 -4.616 1.00 0.00 O ATOM 1223 OD2 ASP A 73 2.452 9.032 -2.851 1.00 0.00 O ATOM 0 H ASP A 73 0.069 8.104 -4.793 1.00 0.00 H new ATOM 0 HA ASP A 73 2.102 6.484 -5.758 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.085 6.967 -2.930 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.551 6.070 -3.275 1.00 0.00 H new ATOM 1228 N GLU A 74 -0.341 4.786 -4.304 1.00 0.00 N ATOM 1229 CA GLU A 74 -0.859 3.434 -4.128 1.00 0.00 C ATOM 1230 C GLU A 74 -1.271 2.817 -5.468 1.00 0.00 C ATOM 1231 O GLU A 74 -1.011 1.640 -5.714 1.00 0.00 O ATOM 1232 CB GLU A 74 -2.026 3.415 -3.140 1.00 0.00 C ATOM 1233 CG GLU A 74 -1.671 3.938 -1.753 1.00 0.00 C ATOM 1234 CD GLU A 74 -0.518 3.192 -1.090 1.00 0.00 C ATOM 1235 OE1 GLU A 74 -0.108 2.109 -1.585 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -0.003 3.690 -0.054 1.00 0.00 O ATOM 0 H GLU A 74 -0.938 5.525 -3.934 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.055 2.826 -3.713 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.842 4.014 -3.545 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.395 2.393 -3.049 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.412 4.994 -1.828 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.551 3.870 -1.113 1.00 0.00 H new ATOM 1243 N GLU A 75 -1.912 3.605 -6.334 1.00 0.00 N ATOM 1244 CA GLU A 75 -2.209 3.175 -7.686 1.00 0.00 C ATOM 1245 C GLU A 75 -0.890 2.851 -8.406 1.00 0.00 C ATOM 1246 O GLU A 75 -0.765 1.835 -9.090 1.00 0.00 O ATOM 1247 CB GLU A 75 -2.986 4.309 -8.376 1.00 0.00 C ATOM 1248 CG GLU A 75 -3.651 3.943 -9.689 1.00 0.00 C ATOM 1249 CD GLU A 75 -2.639 3.644 -10.770 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -1.807 4.527 -11.026 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -2.547 2.465 -11.155 1.00 0.00 O ATOM 0 H GLU A 75 -2.233 4.548 -6.113 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.820 2.273 -7.703 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.752 4.670 -7.690 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.301 5.138 -8.555 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.292 3.074 -9.541 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.294 4.762 -10.011 1.00 0.00 H new ATOM 1258 N LYS A 76 0.099 3.705 -8.175 1.00 0.00 N ATOM 1259 CA LYS A 76 1.443 3.553 -8.729 1.00 0.00 C ATOM 1260 C LYS A 76 2.048 2.210 -8.315 1.00 0.00 C ATOM 1261 O LYS A 76 2.681 1.520 -9.115 1.00 0.00 O ATOM 1262 CB LYS A 76 2.302 4.704 -8.196 1.00 0.00 C ATOM 1263 CG LYS A 76 3.694 4.823 -8.788 1.00 0.00 C ATOM 1264 CD LYS A 76 4.611 5.607 -7.854 1.00 0.00 C ATOM 1265 CE LYS A 76 3.995 6.932 -7.423 1.00 0.00 C ATOM 1266 NZ LYS A 76 4.071 7.972 -8.483 1.00 0.00 N ATOM 0 H LYS A 76 -0.009 4.534 -7.591 1.00 0.00 H new ATOM 0 HA LYS A 76 1.403 3.577 -9.818 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.772 5.640 -8.374 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.396 4.591 -7.116 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.107 3.829 -8.962 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.642 5.320 -9.757 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.829 5.005 -6.972 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.561 5.795 -8.354 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.952 6.772 -7.151 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.505 7.292 -6.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.494 8.792 -8.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.060 8.270 -8.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.713 7.582 -9.378 1.00 0.00 H new ATOM 1280 N HIS A 77 1.825 1.841 -7.056 1.00 0.00 N ATOM 1281 CA HIS A 77 2.325 0.579 -6.516 1.00 0.00 C ATOM 1282 C HIS A 77 1.697 -0.605 -7.240 1.00 0.00 C ATOM 1283 O HIS A 77 2.344 -1.637 -7.446 1.00 0.00 O ATOM 1284 CB HIS A 77 2.029 0.475 -5.017 1.00 0.00 C ATOM 1285 CG HIS A 77 2.706 1.524 -4.185 1.00 0.00 C ATOM 1286 ND1 HIS A 77 2.249 1.857 -2.923 1.00 0.00 N ATOM 1287 CD2 HIS A 77 3.794 2.276 -4.476 1.00 0.00 C ATOM 1288 CE1 HIS A 77 3.075 2.805 -2.490 1.00 0.00 C ATOM 1289 NE2 HIS A 77 4.018 3.083 -3.396 1.00 0.00 N ATOM 0 H HIS A 77 1.298 2.402 -6.387 1.00 0.00 H new ATOM 0 HA HIS A 77 3.404 0.558 -6.668 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.952 0.545 -4.865 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.338 -0.509 -4.664 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.374 2.244 -5.387 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.994 3.289 -1.528 1.00 0.00 H new ATOM 0 HE2 HIS A 77 4.766 3.770 -3.299 1.00 0.00 H new ATOM 1297 N ILE A 78 0.430 -0.453 -7.616 1.00 0.00 N ATOM 1298 CA ILE A 78 -0.271 -1.480 -8.372 1.00 0.00 C ATOM 1299 C ILE A 78 0.370 -1.643 -9.745 1.00 0.00 C ATOM 1300 O ILE A 78 0.623 -2.759 -10.193 1.00 0.00 O ATOM 1301 CB ILE A 78 -1.770 -1.149 -8.544 1.00 0.00 C ATOM 1302 CG1 ILE A 78 -2.421 -0.897 -7.181 1.00 0.00 C ATOM 1303 CG2 ILE A 78 -2.485 -2.280 -9.276 1.00 0.00 C ATOM 1304 CD1 ILE A 78 -3.875 -0.474 -7.265 1.00 0.00 C ATOM 0 H ILE A 78 -0.130 0.373 -7.408 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.193 -2.410 -7.808 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.858 -0.242 -9.142 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.351 -1.805 -6.582 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.858 -0.125 -6.657 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.540 -2.031 -9.389 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.037 -2.417 -10.260 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.389 -3.202 -8.703 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.266 -0.314 -6.260 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.952 0.451 -7.836 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.453 -1.255 -7.759 1.00 0.00 H new ATOM 1316 N GLU A 79 0.648 -0.519 -10.395 1.00 0.00 N ATOM 1317 CA GLU A 79 1.297 -0.519 -11.699 1.00 0.00 C ATOM 1318 C GLU A 79 2.665 -1.192 -11.648 1.00 0.00 C ATOM 1319 O GLU A 79 3.040 -1.916 -12.573 1.00 0.00 O ATOM 1320 CB GLU A 79 1.419 0.901 -12.241 1.00 0.00 C ATOM 1321 CG GLU A 79 0.220 1.322 -13.067 1.00 0.00 C ATOM 1322 CD GLU A 79 -0.046 0.361 -14.210 1.00 0.00 C ATOM 1323 OE1 GLU A 79 0.736 0.365 -15.187 1.00 0.00 O ATOM 1324 OE2 GLU A 79 -1.034 -0.405 -14.137 1.00 0.00 O ATOM 0 H GLU A 79 0.432 0.411 -10.036 1.00 0.00 H new ATOM 0 HA GLU A 79 0.669 -1.098 -12.376 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.541 1.593 -11.408 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.319 0.975 -12.852 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.660 1.377 -12.427 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.387 2.323 -13.466 1.00 0.00 H new ATOM 1331 N TRP A 80 3.409 -0.947 -10.579 1.00 0.00 N ATOM 1332 CA TRP A 80 4.695 -1.608 -10.389 1.00 0.00 C ATOM 1333 C TRP A 80 4.502 -3.120 -10.335 1.00 0.00 C ATOM 1334 O TRP A 80 5.237 -3.877 -10.973 1.00 0.00 O ATOM 1335 CB TRP A 80 5.361 -1.132 -9.097 1.00 0.00 C ATOM 1336 CG TRP A 80 5.795 0.306 -9.123 1.00 0.00 C ATOM 1337 CD1 TRP A 80 5.812 1.146 -10.202 1.00 0.00 C ATOM 1338 CD2 TRP A 80 6.290 1.066 -8.016 1.00 0.00 C ATOM 1339 NE1 TRP A 80 6.287 2.380 -9.831 1.00 0.00 N ATOM 1340 CE2 TRP A 80 6.586 2.358 -8.493 1.00 0.00 C ATOM 1341 CE3 TRP A 80 6.505 0.782 -6.665 1.00 0.00 C ATOM 1342 CZ2 TRP A 80 7.093 3.359 -7.666 1.00 0.00 C ATOM 1343 CZ3 TRP A 80 7.010 1.774 -5.847 1.00 0.00 C ATOM 1344 CH2 TRP A 80 7.295 3.052 -6.348 1.00 0.00 C ATOM 0 H TRP A 80 3.148 -0.301 -9.834 1.00 0.00 H new ATOM 0 HA TRP A 80 5.338 -1.353 -11.231 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.667 -1.276 -8.269 1.00 0.00 H new ATOM 0 HB3 TRP A 80 6.230 -1.759 -8.897 1.00 0.00 H new ATOM 0 HD1 TRP A 80 5.498 0.878 -11.200 1.00 0.00 H new ATOM 0 HE1 TRP A 80 6.399 3.183 -10.450 1.00 0.00 H new ATOM 0 HE3 TRP A 80 6.280 -0.196 -6.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 7.318 4.342 -8.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 7.188 1.561 -4.803 1.00 0.00 H new ATOM 0 HH2 TRP A 80 7.681 3.808 -5.681 1.00 0.00 H new ATOM 1355 N HIS A 81 3.493 -3.545 -9.587 1.00 0.00 N ATOM 1356 CA HIS A 81 3.161 -4.958 -9.461 1.00 0.00 C ATOM 1357 C HIS A 81 2.588 -5.523 -10.761 1.00 0.00 C ATOM 1358 O HIS A 81 2.731 -6.712 -11.037 1.00 0.00 O ATOM 1359 CB HIS A 81 2.222 -5.196 -8.276 1.00 0.00 C ATOM 1360 CG HIS A 81 2.963 -5.363 -6.985 1.00 0.00 C ATOM 1361 ND1 HIS A 81 3.504 -4.321 -6.261 1.00 0.00 N ATOM 1362 CD2 HIS A 81 3.298 -6.494 -6.317 1.00 0.00 C ATOM 1363 CE1 HIS A 81 4.145 -4.844 -5.206 1.00 0.00 C ATOM 1364 NE2 HIS A 81 4.044 -6.156 -5.191 1.00 0.00 N ATOM 0 H HIS A 81 2.885 -2.924 -9.053 1.00 0.00 H new ATOM 0 HA HIS A 81 4.086 -5.499 -9.263 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.531 -4.357 -8.189 1.00 0.00 H new ATOM 0 HB3 HIS A 81 1.621 -6.086 -8.465 1.00 0.00 H new ATOM 0 HD1 HIS A 81 3.430 -3.329 -6.488 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.029 -7.498 -6.611 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.675 -4.264 -4.465 1.00 0.00 H new ATOM 1372 N LYS A 82 1.939 -4.670 -11.552 1.00 0.00 N ATOM 1373 CA LYS A 82 1.462 -5.065 -12.876 1.00 0.00 C ATOM 1374 C LYS A 82 2.631 -5.557 -13.724 1.00 0.00 C ATOM 1375 O LYS A 82 2.545 -6.594 -14.381 1.00 0.00 O ATOM 1376 CB LYS A 82 0.793 -3.877 -13.579 1.00 0.00 C ATOM 1377 CG LYS A 82 -0.576 -3.504 -13.029 1.00 0.00 C ATOM 1378 CD LYS A 82 -1.689 -4.271 -13.726 1.00 0.00 C ATOM 1379 CE LYS A 82 -1.788 -3.898 -15.201 1.00 0.00 C ATOM 1380 NZ LYS A 82 -2.160 -2.467 -15.402 1.00 0.00 N ATOM 0 H LYS A 82 1.732 -3.704 -11.300 1.00 0.00 H new ATOM 0 HA LYS A 82 0.733 -5.867 -12.756 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.449 -3.010 -13.502 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.693 -4.109 -14.639 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.607 -3.710 -11.959 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.739 -2.433 -13.153 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.508 -5.342 -13.632 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.639 -4.064 -13.233 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.832 -4.094 -15.687 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.529 -4.535 -15.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.380 -2.303 -16.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.994 -2.240 -14.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.366 -1.859 -15.118 1.00 0.00 H new ATOM 1394 N ALA A 83 3.721 -4.801 -13.698 1.00 0.00 N ATOM 1395 CA ALA A 83 4.930 -5.166 -14.424 1.00 0.00 C ATOM 1396 C ALA A 83 5.642 -6.342 -13.758 1.00 0.00 C ATOM 1397 O ALA A 83 6.280 -7.153 -14.424 1.00 0.00 O ATOM 1398 CB ALA A 83 5.868 -3.973 -14.532 1.00 0.00 C ATOM 0 H ALA A 83 3.792 -3.926 -13.179 1.00 0.00 H new ATOM 0 HA ALA A 83 4.636 -5.474 -15.428 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.766 -4.264 -15.077 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.367 -3.163 -15.063 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.144 -3.635 -13.533 1.00 0.00 H new ATOM 1404 N ALA A 84 5.536 -6.411 -12.433 1.00 0.00 N ATOM 1405 CA ALA A 84 6.173 -7.472 -11.657 1.00 0.00 C ATOM 1406 C ALA A 84 5.493 -8.821 -11.872 1.00 0.00 C ATOM 1407 O ALA A 84 6.130 -9.867 -11.774 1.00 0.00 O ATOM 1408 CB ALA A 84 6.175 -7.115 -10.180 1.00 0.00 C ATOM 0 H ALA A 84 5.012 -5.740 -11.872 1.00 0.00 H new ATOM 0 HA ALA A 84 7.201 -7.562 -12.007 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.653 -7.914 -9.613 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.725 -6.186 -10.031 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.149 -6.989 -9.835 1.00 0.00 H new ATOM 1414 N SER A 85 4.195 -8.793 -12.135 1.00 0.00 N ATOM 1415 CA SER A 85 3.440 -10.015 -12.361 1.00 0.00 C ATOM 1416 C SER A 85 3.944 -10.724 -13.617 1.00 0.00 C ATOM 1417 O SER A 85 3.861 -10.181 -14.718 1.00 0.00 O ATOM 1418 CB SER A 85 1.947 -9.690 -12.481 1.00 0.00 C ATOM 1419 OG SER A 85 1.151 -10.860 -12.412 1.00 0.00 O ATOM 0 H SER A 85 3.643 -7.937 -12.197 1.00 0.00 H new ATOM 0 HA SER A 85 3.582 -10.685 -11.513 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.658 -9.005 -11.684 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.760 -9.177 -13.425 1.00 0.00 H new ATOM 0 HG SER A 85 0.205 -10.617 -12.490 1.00 0.00 H new ATOM 1425 N LYS A 86 4.511 -11.920 -13.417 1.00 0.00 N ATOM 1426 CA LYS A 86 5.036 -12.764 -14.499 1.00 0.00 C ATOM 1427 C LYS A 86 6.357 -12.227 -15.067 1.00 0.00 C ATOM 1428 O LYS A 86 7.341 -12.960 -15.159 1.00 0.00 O ATOM 1429 CB LYS A 86 4.005 -12.947 -15.623 1.00 0.00 C ATOM 1430 CG LYS A 86 4.492 -13.854 -16.739 1.00 0.00 C ATOM 1431 CD LYS A 86 3.419 -14.089 -17.787 1.00 0.00 C ATOM 1432 CE LYS A 86 3.908 -15.032 -18.876 1.00 0.00 C ATOM 1433 NZ LYS A 86 4.257 -16.376 -18.343 1.00 0.00 N ATOM 0 H LYS A 86 4.620 -12.334 -12.491 1.00 0.00 H new ATOM 0 HA LYS A 86 5.239 -13.739 -14.057 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.088 -13.359 -15.202 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.754 -11.971 -16.040 1.00 0.00 H new ATOM 0 HG2 LYS A 86 5.369 -13.410 -17.211 1.00 0.00 H new ATOM 0 HG3 LYS A 86 4.805 -14.810 -16.319 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.530 -14.506 -17.314 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.127 -13.137 -18.231 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.136 -15.135 -19.638 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.781 -14.599 -19.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.338 -17.051 -19.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.164 -16.324 -17.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.513 -16.694 -17.689 1.00 0.00 H new ATOM 1447 N GLN A 87 6.379 -10.955 -15.439 1.00 0.00 N ATOM 1448 CA GLN A 87 7.576 -10.347 -16.017 1.00 0.00 C ATOM 1449 C GLN A 87 8.561 -9.911 -14.937 1.00 0.00 C ATOM 1450 O GLN A 87 9.565 -9.263 -15.230 1.00 0.00 O ATOM 1451 CB GLN A 87 7.221 -9.141 -16.895 1.00 0.00 C ATOM 1452 CG GLN A 87 6.710 -9.502 -18.283 1.00 0.00 C ATOM 1453 CD GLN A 87 5.281 -10.010 -18.295 1.00 0.00 C ATOM 1454 OE1 GLN A 87 4.914 -10.844 -19.123 1.00 0.00 O ATOM 1455 NE2 GLN A 87 4.458 -9.497 -17.398 1.00 0.00 N ATOM 0 H GLN A 87 5.584 -10.322 -15.352 1.00 0.00 H new ATOM 0 HA GLN A 87 8.047 -11.111 -16.635 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.463 -8.547 -16.385 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.104 -8.510 -16.999 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.779 -8.624 -18.925 1.00 0.00 H new ATOM 0 HG3 GLN A 87 7.360 -10.264 -18.713 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.799 -8.808 -16.728 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.481 -9.790 -17.375 1.00 0.00 H new ATOM 1464 N GLY A 88 8.276 -10.268 -13.694 1.00 0.00 N ATOM 1465 CA GLY A 88 9.142 -9.889 -12.598 1.00 0.00 C ATOM 1466 C GLY A 88 9.910 -11.065 -12.036 1.00 0.00 C ATOM 1467 O GLY A 88 9.321 -12.019 -11.528 1.00 0.00 O ATOM 0 H GLY A 88 7.458 -10.815 -13.424 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.845 -9.130 -12.940 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.545 -9.437 -11.806 1.00 0.00 H new ATOM 1471 N ASN A 89 11.228 -11.002 -12.149 1.00 0.00 N ATOM 1472 CA ASN A 89 12.104 -12.010 -11.566 1.00 0.00 C ATOM 1473 C ASN A 89 12.120 -11.859 -10.048 1.00 0.00 C ATOM 1474 O ASN A 89 11.819 -10.782 -9.527 1.00 0.00 O ATOM 1475 CB ASN A 89 13.519 -11.859 -12.142 1.00 0.00 C ATOM 1476 CG ASN A 89 14.486 -12.930 -11.659 1.00 0.00 C ATOM 1477 OD1 ASN A 89 14.088 -14.051 -11.340 1.00 0.00 O ATOM 1478 ND2 ASN A 89 15.764 -12.589 -11.603 1.00 0.00 N ATOM 0 H ASN A 89 11.719 -10.257 -12.643 1.00 0.00 H new ATOM 0 HA ASN A 89 11.733 -13.005 -11.812 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.466 -11.892 -13.230 1.00 0.00 H new ATOM 0 HB3 ASN A 89 13.910 -10.878 -11.872 1.00 0.00 H new ATOM 0 HD21 ASN A 89 16.459 -13.265 -11.287 1.00 0.00 H new ATOM 0 HD22 ASN A 89 16.054 -11.650 -11.876 1.00 0.00 H new ATOM 1485 N ALA A 90 12.470 -12.930 -9.342 1.00 0.00 N ATOM 1486 CA ALA A 90 12.488 -12.926 -7.881 1.00 0.00 C ATOM 1487 C ALA A 90 13.383 -11.813 -7.344 1.00 0.00 C ATOM 1488 O ALA A 90 13.083 -11.203 -6.317 1.00 0.00 O ATOM 1489 CB ALA A 90 12.942 -14.280 -7.355 1.00 0.00 C ATOM 0 H ALA A 90 12.747 -13.818 -9.761 1.00 0.00 H new ATOM 0 HA ALA A 90 11.474 -12.737 -7.530 1.00 0.00 H new ATOM 0 HB1 ALA A 90 12.951 -14.263 -6.265 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.256 -15.053 -7.700 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.945 -14.495 -7.722 1.00 0.00 H new ATOM 1495 N GLU A 91 14.468 -11.541 -8.061 1.00 0.00 N ATOM 1496 CA GLU A 91 15.381 -10.469 -7.706 1.00 0.00 C ATOM 1497 C GLU A 91 14.664 -9.122 -7.735 1.00 0.00 C ATOM 1498 O GLU A 91 14.742 -8.334 -6.791 1.00 0.00 O ATOM 1499 CB GLU A 91 16.531 -10.446 -8.705 1.00 0.00 C ATOM 1500 CG GLU A 91 17.390 -11.698 -8.693 1.00 0.00 C ATOM 1501 CD GLU A 91 18.203 -11.842 -7.425 1.00 0.00 C ATOM 1502 OE1 GLU A 91 19.229 -11.142 -7.298 1.00 0.00 O ATOM 1503 OE2 GLU A 91 17.827 -12.661 -6.559 1.00 0.00 O ATOM 0 H GLU A 91 14.735 -12.056 -8.900 1.00 0.00 H new ATOM 0 HA GLU A 91 15.758 -10.644 -6.698 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.125 -10.307 -9.707 1.00 0.00 H new ATOM 0 HB3 GLU A 91 17.163 -9.583 -8.495 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.750 -12.573 -8.810 1.00 0.00 H new ATOM 0 HG3 GLU A 91 18.063 -11.679 -9.550 1.00 0.00 H new ATOM 1510 N GLN A 92 13.948 -8.883 -8.826 1.00 0.00 N ATOM 1511 CA GLN A 92 13.217 -7.638 -9.026 1.00 0.00 C ATOM 1512 C GLN A 92 12.072 -7.515 -8.031 1.00 0.00 C ATOM 1513 O GLN A 92 11.839 -6.447 -7.468 1.00 0.00 O ATOM 1514 CB GLN A 92 12.656 -7.583 -10.444 1.00 0.00 C ATOM 1515 CG GLN A 92 13.695 -7.790 -11.529 1.00 0.00 C ATOM 1516 CD GLN A 92 13.068 -7.836 -12.905 1.00 0.00 C ATOM 1517 OE1 GLN A 92 12.692 -8.900 -13.396 1.00 0.00 O ATOM 1518 NE2 GLN A 92 12.945 -6.681 -13.535 1.00 0.00 N ATOM 0 H GLN A 92 13.857 -9.545 -9.596 1.00 0.00 H new ATOM 0 HA GLN A 92 13.910 -6.811 -8.871 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.882 -8.344 -10.547 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.175 -6.617 -10.596 1.00 0.00 H new ATOM 0 HG2 GLN A 92 14.427 -6.983 -11.490 1.00 0.00 H new ATOM 0 HG3 GLN A 92 14.234 -8.719 -11.344 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.270 -5.821 -13.092 1.00 0.00 H new ATOM 0 HE22 GLN A 92 12.525 -6.649 -14.464 1.00 0.00 H new ATOM 1527 N PHE A 93 11.367 -8.617 -7.814 1.00 0.00 N ATOM 1528 CA PHE A 93 10.191 -8.621 -6.955 1.00 0.00 C ATOM 1529 C PHE A 93 10.574 -8.267 -5.519 1.00 0.00 C ATOM 1530 O PHE A 93 9.897 -7.474 -4.867 1.00 0.00 O ATOM 1531 CB PHE A 93 9.499 -9.985 -7.010 1.00 0.00 C ATOM 1532 CG PHE A 93 8.133 -10.001 -6.385 1.00 0.00 C ATOM 1533 CD1 PHE A 93 7.066 -9.365 -7.004 1.00 0.00 C ATOM 1534 CD2 PHE A 93 7.911 -10.656 -5.184 1.00 0.00 C ATOM 1535 CE1 PHE A 93 5.806 -9.382 -6.437 1.00 0.00 C ATOM 1536 CE2 PHE A 93 6.652 -10.676 -4.613 1.00 0.00 C ATOM 1537 CZ PHE A 93 5.598 -10.039 -5.239 1.00 0.00 C ATOM 0 H PHE A 93 11.591 -9.524 -8.223 1.00 0.00 H new ATOM 0 HA PHE A 93 9.494 -7.865 -7.316 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.415 -10.297 -8.051 1.00 0.00 H new ATOM 0 HB3 PHE A 93 10.127 -10.720 -6.507 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.222 -8.850 -7.941 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.730 -11.156 -4.689 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.985 -8.882 -6.929 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.492 -11.190 -3.677 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.614 -10.054 -4.793 1.00 0.00 H new ATOM 1547 N ALA A 94 11.676 -8.839 -5.048 1.00 0.00 N ATOM 1548 CA ALA A 94 12.179 -8.539 -3.713 1.00 0.00 C ATOM 1549 C ALA A 94 12.568 -7.068 -3.604 1.00 0.00 C ATOM 1550 O ALA A 94 12.309 -6.420 -2.590 1.00 0.00 O ATOM 1551 CB ALA A 94 13.369 -9.429 -3.385 1.00 0.00 C ATOM 0 H ALA A 94 12.237 -9.512 -5.570 1.00 0.00 H new ATOM 0 HA ALA A 94 11.386 -8.738 -2.992 1.00 0.00 H new ATOM 0 HB1 ALA A 94 13.734 -9.194 -2.385 1.00 0.00 H new ATOM 0 HB2 ALA A 94 13.063 -10.474 -3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 94 14.163 -9.257 -4.111 1.00 0.00 H new ATOM 1557 N SER A 95 13.172 -6.545 -4.666 1.00 0.00 N ATOM 1558 CA SER A 95 13.584 -5.148 -4.703 1.00 0.00 C ATOM 1559 C SER A 95 12.355 -4.236 -4.725 1.00 0.00 C ATOM 1560 O SER A 95 12.346 -3.170 -4.107 1.00 0.00 O ATOM 1561 CB SER A 95 14.467 -4.891 -5.931 1.00 0.00 C ATOM 1562 OG SER A 95 15.060 -3.601 -5.889 1.00 0.00 O ATOM 0 H SER A 95 13.387 -7.070 -5.514 1.00 0.00 H new ATOM 0 HA SER A 95 14.163 -4.926 -3.807 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.248 -5.649 -5.983 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.868 -4.987 -6.837 1.00 0.00 H new ATOM 0 HG SER A 95 15.617 -3.471 -6.685 1.00 0.00 H new ATOM 1568 N LEU A 96 11.315 -4.674 -5.425 1.00 0.00 N ATOM 1569 CA LEU A 96 10.077 -3.915 -5.527 1.00 0.00 C ATOM 1570 C LEU A 96 9.390 -3.826 -4.175 1.00 0.00 C ATOM 1571 O LEU A 96 8.957 -2.755 -3.758 1.00 0.00 O ATOM 1572 CB LEU A 96 9.130 -4.564 -6.538 1.00 0.00 C ATOM 1573 CG LEU A 96 7.804 -3.830 -6.747 1.00 0.00 C ATOM 1574 CD1 LEU A 96 8.061 -2.402 -7.200 1.00 0.00 C ATOM 1575 CD2 LEU A 96 6.944 -4.561 -7.764 1.00 0.00 C ATOM 0 H LEU A 96 11.307 -5.558 -5.934 1.00 0.00 H new ATOM 0 HA LEU A 96 10.327 -2.910 -5.866 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.642 -4.638 -7.497 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.917 -5.582 -6.212 1.00 0.00 H new ATOM 0 HG LEU A 96 7.268 -3.806 -5.798 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.110 -1.890 -7.345 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.643 -1.879 -6.441 1.00 0.00 H new ATOM 0 HD13 LEU A 96 8.615 -2.412 -8.139 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.005 -4.024 -7.899 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.472 -4.614 -8.716 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.737 -5.570 -7.407 1.00 0.00 H new ATOM 1587 N VAL A 97 9.296 -4.959 -3.498 1.00 0.00 N ATOM 1588 CA VAL A 97 8.673 -5.010 -2.183 1.00 0.00 C ATOM 1589 C VAL A 97 9.433 -4.130 -1.188 1.00 0.00 C ATOM 1590 O VAL A 97 8.826 -3.469 -0.353 1.00 0.00 O ATOM 1591 CB VAL A 97 8.576 -6.462 -1.661 1.00 0.00 C ATOM 1592 CG1 VAL A 97 8.077 -6.505 -0.222 1.00 0.00 C ATOM 1593 CG2 VAL A 97 7.658 -7.276 -2.562 1.00 0.00 C ATOM 0 H VAL A 97 9.643 -5.857 -3.836 1.00 0.00 H new ATOM 0 HA VAL A 97 7.659 -4.623 -2.283 1.00 0.00 H new ATOM 0 HB VAL A 97 9.576 -6.895 -1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.021 -7.541 0.113 1.00 0.00 H new ATOM 0 HG12 VAL A 97 8.765 -5.953 0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.087 -6.052 -0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 97 7.594 -8.298 -2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.664 -6.829 -2.568 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.058 -7.285 -3.576 1.00 0.00 H new ATOM 1603 N GLN A 98 10.758 -4.109 -1.299 1.00 0.00 N ATOM 1604 CA GLN A 98 11.585 -3.241 -0.460 1.00 0.00 C ATOM 1605 C GLN A 98 11.273 -1.770 -0.732 1.00 0.00 C ATOM 1606 O GLN A 98 11.210 -0.962 0.195 1.00 0.00 O ATOM 1607 CB GLN A 98 13.073 -3.534 -0.700 1.00 0.00 C ATOM 1608 CG GLN A 98 14.035 -2.657 0.100 1.00 0.00 C ATOM 1609 CD GLN A 98 14.618 -1.513 -0.714 1.00 0.00 C ATOM 1610 OE1 GLN A 98 15.652 -1.662 -1.362 1.00 0.00 O ATOM 1611 NE2 GLN A 98 13.967 -0.361 -0.682 1.00 0.00 N ATOM 0 H GLN A 98 11.283 -4.681 -1.960 1.00 0.00 H new ATOM 0 HA GLN A 98 11.355 -3.447 0.585 1.00 0.00 H new ATOM 0 HB2 GLN A 98 13.267 -4.578 -0.456 1.00 0.00 H new ATOM 0 HB3 GLN A 98 13.287 -3.409 -1.761 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.512 -2.249 0.965 1.00 0.00 H new ATOM 0 HG3 GLN A 98 14.848 -3.275 0.481 1.00 0.00 H new ATOM 0 HE21 GLN A 98 13.112 -0.274 -0.133 1.00 0.00 H new ATOM 0 HE22 GLN A 98 14.321 0.439 -1.206 1.00 0.00 H new ATOM 1620 N GLN A 99 11.086 -1.419 -2.001 1.00 0.00 N ATOM 1621 CA GLN A 99 10.719 -0.053 -2.357 1.00 0.00 C ATOM 1622 C GLN A 99 9.321 0.258 -1.844 1.00 0.00 C ATOM 1623 O GLN A 99 9.089 1.300 -1.233 1.00 0.00 O ATOM 1624 CB GLN A 99 10.768 0.153 -3.875 1.00 0.00 C ATOM 1625 CG GLN A 99 10.279 1.526 -4.309 1.00 0.00 C ATOM 1626 CD GLN A 99 11.199 2.645 -3.865 1.00 0.00 C ATOM 1627 OE1 GLN A 99 12.418 2.479 -3.800 1.00 0.00 O ATOM 1628 NE2 GLN A 99 10.621 3.780 -3.509 1.00 0.00 N ATOM 0 H GLN A 99 11.181 -2.055 -2.793 1.00 0.00 H new ATOM 0 HA GLN A 99 11.438 0.623 -1.894 1.00 0.00 H new ATOM 0 HB2 GLN A 99 11.792 0.013 -4.221 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.160 -0.612 -4.359 1.00 0.00 H new ATOM 0 HG2 GLN A 99 10.187 1.547 -5.395 1.00 0.00 H new ATOM 0 HG3 GLN A 99 9.283 1.697 -3.901 1.00 0.00 H new ATOM 0 HE21 GLN A 99 9.608 3.880 -3.577 1.00 0.00 H new ATOM 0 HE22 GLN A 99 11.188 4.556 -3.166 1.00 0.00 H new ATOM 1637 N HIS A 100 8.408 -0.679 -2.067 1.00 0.00 N ATOM 1638 CA HIS A 100 7.030 -0.548 -1.623 1.00 0.00 C ATOM 1639 C HIS A 100 6.987 -0.408 -0.103 1.00 0.00 C ATOM 1640 O HIS A 100 6.173 0.333 0.442 1.00 0.00 O ATOM 1641 CB HIS A 100 6.228 -1.774 -2.081 1.00 0.00 C ATOM 1642 CG HIS A 100 4.742 -1.625 -1.964 1.00 0.00 C ATOM 1643 ND1 HIS A 100 3.868 -2.689 -1.922 1.00 0.00 N ATOM 1644 CD2 HIS A 100 3.976 -0.511 -1.914 1.00 0.00 C ATOM 1645 CE1 HIS A 100 2.625 -2.199 -1.853 1.00 0.00 C ATOM 1646 NE2 HIS A 100 2.632 -0.879 -1.846 1.00 0.00 N ATOM 0 H HIS A 100 8.604 -1.550 -2.561 1.00 0.00 H new ATOM 0 HA HIS A 100 6.585 0.345 -2.062 1.00 0.00 H new ATOM 0 HB2 HIS A 100 6.478 -1.988 -3.120 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.541 -2.637 -1.493 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.347 0.503 -1.925 1.00 0.00 H new ATOM 0 HE1 HIS A 100 1.732 -2.805 -1.809 1.00 0.00 H new ATOM 0 HE2 HIS A 100 1.824 -0.258 -1.800 1.00 0.00 H new ATOM 1654 N LEU A 101 7.884 -1.122 0.566 1.00 0.00 N ATOM 1655 CA LEU A 101 8.018 -1.063 2.010 1.00 0.00 C ATOM 1656 C LEU A 101 8.313 0.359 2.482 1.00 0.00 C ATOM 1657 O LEU A 101 7.646 0.868 3.383 1.00 0.00 O ATOM 1658 CB LEU A 101 9.131 -2.018 2.453 1.00 0.00 C ATOM 1659 CG LEU A 101 8.660 -3.329 3.087 1.00 0.00 C ATOM 1660 CD1 LEU A 101 9.846 -4.227 3.394 1.00 0.00 C ATOM 1661 CD2 LEU A 101 7.865 -3.053 4.355 1.00 0.00 C ATOM 0 H LEU A 101 8.541 -1.760 0.117 1.00 0.00 H new ATOM 0 HA LEU A 101 7.074 -1.368 2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.749 -2.255 1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.769 -1.498 3.167 1.00 0.00 H new ATOM 0 HG LEU A 101 8.012 -3.841 2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.493 -5.155 3.844 1.00 0.00 H new ATOM 0 HD12 LEU A 101 10.380 -4.452 2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 101 10.517 -3.719 4.087 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.538 -3.997 4.792 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.493 -2.520 5.069 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.994 -2.444 4.113 1.00 0.00 H new ATOM 1673 N GLN A 102 9.295 1.005 1.862 1.00 0.00 N ATOM 1674 CA GLN A 102 9.668 2.350 2.215 1.00 0.00 C ATOM 1675 C GLN A 102 8.532 3.327 1.925 1.00 0.00 C ATOM 1676 O GLN A 102 8.227 4.201 2.741 1.00 0.00 O ATOM 1677 CB GLN A 102 10.911 2.734 1.432 1.00 0.00 C ATOM 1678 CG GLN A 102 12.168 1.988 1.854 1.00 0.00 C ATOM 1679 CD GLN A 102 12.390 2.013 3.357 1.00 0.00 C ATOM 1680 OE1 GLN A 102 11.956 1.116 4.077 1.00 0.00 O ATOM 1681 NE2 GLN A 102 13.063 3.045 3.844 1.00 0.00 N ATOM 0 H GLN A 102 9.847 0.603 1.104 1.00 0.00 H new ATOM 0 HA GLN A 102 9.876 2.396 3.284 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.731 2.550 0.373 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.082 3.805 1.545 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.101 0.953 1.518 1.00 0.00 H new ATOM 0 HG3 GLN A 102 13.031 2.429 1.356 1.00 0.00 H new ATOM 0 HE21 GLN A 102 13.408 3.771 3.216 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.236 3.114 4.847 1.00 0.00 H new ATOM 1690 N ASP A 103 7.907 3.160 0.762 1.00 0.00 N ATOM 1691 CA ASP A 103 6.769 3.984 0.368 1.00 0.00 C ATOM 1692 C ASP A 103 5.664 3.933 1.415 1.00 0.00 C ATOM 1693 O ASP A 103 5.184 4.968 1.882 1.00 0.00 O ATOM 1694 CB ASP A 103 6.202 3.519 -0.980 1.00 0.00 C ATOM 1695 CG ASP A 103 6.838 4.206 -2.176 1.00 0.00 C ATOM 1696 OD1 ASP A 103 8.076 4.125 -2.341 1.00 0.00 O ATOM 1697 OD2 ASP A 103 6.091 4.813 -2.968 1.00 0.00 O ATOM 0 H ASP A 103 8.172 2.457 0.073 1.00 0.00 H new ATOM 0 HA ASP A 103 7.128 5.009 0.278 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.344 2.442 -1.072 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.128 3.702 -0.995 1.00 0.00 H new ATOM 1702 N GLU A 104 5.274 2.724 1.799 1.00 0.00 N ATOM 1703 CA GLU A 104 4.173 2.541 2.735 1.00 0.00 C ATOM 1704 C GLU A 104 4.554 2.984 4.141 1.00 0.00 C ATOM 1705 O GLU A 104 3.726 3.542 4.862 1.00 0.00 O ATOM 1706 CB GLU A 104 3.705 1.084 2.747 1.00 0.00 C ATOM 1707 CG GLU A 104 3.296 0.560 1.377 1.00 0.00 C ATOM 1708 CD GLU A 104 2.163 1.344 0.737 1.00 0.00 C ATOM 1709 OE1 GLU A 104 1.896 2.489 1.156 1.00 0.00 O ATOM 1710 OE2 GLU A 104 1.539 0.834 -0.216 1.00 0.00 O ATOM 0 H GLU A 104 5.703 1.857 1.477 1.00 0.00 H new ATOM 0 HA GLU A 104 3.350 3.170 2.396 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.505 0.458 3.141 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.860 0.989 3.429 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.162 0.584 0.715 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.996 -0.484 1.472 1.00 0.00 H new ATOM 1717 N GLN A 105 5.806 2.754 4.522 1.00 0.00 N ATOM 1718 CA GLN A 105 6.286 3.168 5.829 1.00 0.00 C ATOM 1719 C GLN A 105 6.176 4.679 5.993 1.00 0.00 C ATOM 1720 O GLN A 105 5.743 5.162 7.037 1.00 0.00 O ATOM 1721 CB GLN A 105 7.731 2.715 6.035 1.00 0.00 C ATOM 1722 CG GLN A 105 7.854 1.289 6.556 1.00 0.00 C ATOM 1723 CD GLN A 105 9.292 0.836 6.724 1.00 0.00 C ATOM 1724 OE1 GLN A 105 9.600 -0.353 6.622 1.00 0.00 O ATOM 1725 NE2 GLN A 105 10.186 1.776 6.986 1.00 0.00 N ATOM 0 H GLN A 105 6.503 2.284 3.944 1.00 0.00 H new ATOM 0 HA GLN A 105 5.661 2.695 6.586 1.00 0.00 H new ATOM 0 HB2 GLN A 105 8.266 2.795 5.089 1.00 0.00 H new ATOM 0 HB3 GLN A 105 8.219 3.392 6.736 1.00 0.00 H new ATOM 0 HG2 GLN A 105 7.342 1.214 7.515 1.00 0.00 H new ATOM 0 HG3 GLN A 105 7.345 0.613 5.869 1.00 0.00 H new ATOM 0 HE21 GLN A 105 9.894 2.750 7.063 1.00 0.00 H new ATOM 0 HE22 GLN A 105 11.167 1.526 7.111 1.00 0.00 H new ATOM 1734 N ARG A 106 6.543 5.418 4.945 1.00 0.00 N ATOM 1735 CA ARG A 106 6.450 6.877 4.967 1.00 0.00 C ATOM 1736 C ARG A 106 5.002 7.329 5.086 1.00 0.00 C ATOM 1737 O ARG A 106 4.705 8.293 5.785 1.00 0.00 O ATOM 1738 CB ARG A 106 7.065 7.495 3.709 1.00 0.00 C ATOM 1739 CG ARG A 106 6.895 9.007 3.650 1.00 0.00 C ATOM 1740 CD ARG A 106 7.240 9.563 2.283 1.00 0.00 C ATOM 1741 NE ARG A 106 6.939 10.990 2.183 1.00 0.00 N ATOM 1742 CZ ARG A 106 7.015 11.686 1.050 1.00 0.00 C ATOM 1743 NH1 ARG A 106 7.347 11.077 -0.084 1.00 0.00 N ATOM 1744 NH2 ARG A 106 6.754 12.984 1.045 1.00 0.00 N ATOM 0 H ARG A 106 6.906 5.031 4.074 1.00 0.00 H new ATOM 0 HA ARG A 106 7.009 7.218 5.839 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.127 7.252 3.672 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.605 7.048 2.828 1.00 0.00 H new ATOM 0 HG2 ARG A 106 5.866 9.266 3.898 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.531 9.473 4.402 1.00 0.00 H new ATOM 0 HD2 ARG A 106 8.299 9.400 2.082 1.00 0.00 H new ATOM 0 HD3 ARG A 106 6.683 9.020 1.519 1.00 0.00 H new ATOM 0 HE ARG A 106 6.654 11.481 3.030 1.00 0.00 H new ATOM 0 HH11 ARG A 106 7.544 10.076 -0.087 1.00 0.00 H new ATOM 0 HH12 ARG A 106 7.405 11.611 -0.951 1.00 0.00 H new ATOM 0 HH21 ARG A 106 6.493 13.455 1.911 1.00 0.00 H new ATOM 0 HH22 ARG A 106 6.814 13.513 0.175 1.00 0.00 H new ATOM 1758 N HIS A 107 4.103 6.637 4.389 1.00 0.00 N ATOM 1759 CA HIS A 107 2.682 6.957 4.466 1.00 0.00 C ATOM 1760 C HIS A 107 2.202 6.834 5.906 1.00 0.00 C ATOM 1761 O HIS A 107 1.505 7.710 6.411 1.00 0.00 O ATOM 1762 CB HIS A 107 1.860 6.049 3.546 1.00 0.00 C ATOM 1763 CG HIS A 107 2.164 6.236 2.089 1.00 0.00 C ATOM 1764 ND1 HIS A 107 1.921 5.242 1.163 1.00 0.00 N ATOM 1765 CD2 HIS A 107 2.694 7.313 1.457 1.00 0.00 C ATOM 1766 CE1 HIS A 107 2.312 5.745 -0.005 1.00 0.00 C ATOM 1767 NE2 HIS A 107 2.785 6.990 0.129 1.00 0.00 N ATOM 0 H HIS A 107 4.331 5.859 3.771 1.00 0.00 H new ATOM 0 HA HIS A 107 2.541 7.984 4.130 1.00 0.00 H new ATOM 0 HB2 HIS A 107 2.044 5.009 3.816 1.00 0.00 H new ATOM 0 HB3 HIS A 107 0.800 6.239 3.715 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.988 8.247 1.914 1.00 0.00 H new ATOM 0 HE1 HIS A 107 2.255 5.215 -0.944 1.00 0.00 H new ATOM 0 HE2 HIS A 107 3.145 7.586 -0.617 1.00 0.00 H new ATOM 1775 N VAL A 108 2.608 5.756 6.567 1.00 0.00 N ATOM 1776 CA VAL A 108 2.306 5.565 7.983 1.00 0.00 C ATOM 1777 C VAL A 108 2.963 6.665 8.820 1.00 0.00 C ATOM 1778 O VAL A 108 2.345 7.225 9.726 1.00 0.00 O ATOM 1779 CB VAL A 108 2.789 4.183 8.479 1.00 0.00 C ATOM 1780 CG1 VAL A 108 2.484 3.992 9.957 1.00 0.00 C ATOM 1781 CG2 VAL A 108 2.154 3.074 7.659 1.00 0.00 C ATOM 0 H VAL A 108 3.148 5.000 6.146 1.00 0.00 H new ATOM 0 HA VAL A 108 1.223 5.616 8.099 1.00 0.00 H new ATOM 0 HB VAL A 108 3.870 4.139 8.350 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.835 3.011 10.277 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.989 4.765 10.536 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.408 4.063 10.119 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.505 2.107 8.021 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.069 3.126 7.755 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.432 3.191 6.611 1.00 0.00 H new ATOM 1791 N GLU A 109 4.208 6.983 8.478 1.00 0.00 N ATOM 1792 CA GLU A 109 4.966 8.026 9.154 1.00 0.00 C ATOM 1793 C GLU A 109 4.234 9.365 9.098 1.00 0.00 C ATOM 1794 O GLU A 109 4.130 10.068 10.104 1.00 0.00 O ATOM 1795 CB GLU A 109 6.346 8.161 8.501 1.00 0.00 C ATOM 1796 CG GLU A 109 7.304 7.020 8.822 1.00 0.00 C ATOM 1797 CD GLU A 109 7.804 7.053 10.250 1.00 0.00 C ATOM 1798 OE1 GLU A 109 6.974 7.018 11.177 1.00 0.00 O ATOM 1799 OE2 GLU A 109 9.038 7.118 10.450 1.00 0.00 O ATOM 0 H GLU A 109 4.718 6.523 7.724 1.00 0.00 H new ATOM 0 HA GLU A 109 5.079 7.745 10.201 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.220 8.221 7.420 1.00 0.00 H new ATOM 0 HB3 GLU A 109 6.797 9.100 8.822 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.802 6.070 8.640 1.00 0.00 H new ATOM 0 HG3 GLU A 109 8.156 7.066 8.143 1.00 0.00 H new ATOM 1806 N GLU A 110 3.719 9.702 7.920 1.00 0.00 N ATOM 1807 CA GLU A 110 3.033 10.971 7.709 1.00 0.00 C ATOM 1808 C GLU A 110 1.702 11.010 8.456 1.00 0.00 C ATOM 1809 O GLU A 110 1.346 12.028 9.049 1.00 0.00 O ATOM 1810 CB GLU A 110 2.802 11.206 6.212 1.00 0.00 C ATOM 1811 CG GLU A 110 3.395 12.509 5.700 1.00 0.00 C ATOM 1812 CD GLU A 110 4.910 12.550 5.799 1.00 0.00 C ATOM 1813 OE1 GLU A 110 5.588 12.128 4.835 1.00 0.00 O ATOM 1814 OE2 GLU A 110 5.434 13.021 6.827 1.00 0.00 O ATOM 0 H GLU A 110 3.765 9.109 7.092 1.00 0.00 H new ATOM 0 HA GLU A 110 3.667 11.765 8.103 1.00 0.00 H new ATOM 0 HB2 GLU A 110 3.233 10.376 5.652 1.00 0.00 H new ATOM 0 HB3 GLU A 110 1.730 11.202 6.014 1.00 0.00 H new ATOM 0 HG2 GLU A 110 3.100 12.652 4.660 1.00 0.00 H new ATOM 0 HG3 GLU A 110 2.977 13.340 6.268 1.00 0.00 H new ATOM 1821 N ILE A 111 0.977 9.894 8.439 1.00 0.00 N ATOM 1822 CA ILE A 111 -0.321 9.819 9.108 1.00 0.00 C ATOM 1823 C ILE A 111 -0.170 9.943 10.624 1.00 0.00 C ATOM 1824 O ILE A 111 -0.967 10.618 11.280 1.00 0.00 O ATOM 1825 CB ILE A 111 -1.069 8.507 8.766 1.00 0.00 C ATOM 1826 CG1 ILE A 111 -1.367 8.443 7.265 1.00 0.00 C ATOM 1827 CG2 ILE A 111 -2.361 8.396 9.566 1.00 0.00 C ATOM 1828 CD1 ILE A 111 -2.032 7.151 6.827 1.00 0.00 C ATOM 0 H ILE A 111 1.263 9.033 7.972 1.00 0.00 H new ATOM 0 HA ILE A 111 -0.912 10.658 8.740 1.00 0.00 H new ATOM 0 HB ILE A 111 -0.428 7.667 9.034 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.010 9.281 6.996 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -0.435 8.566 6.713 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.869 7.467 9.309 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.131 8.401 10.631 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.008 9.241 9.331 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.211 7.180 5.752 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -1.382 6.309 7.064 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.981 7.035 7.350 1.00 0.00 H new ATOM 1840 N GLU A 112 0.848 9.294 11.177 1.00 0.00 N ATOM 1841 CA GLU A 112 1.116 9.365 12.601 1.00 0.00 C ATOM 1842 C GLU A 112 1.581 10.762 13.012 1.00 0.00 C ATOM 1843 O GLU A 112 1.437 11.163 14.170 1.00 0.00 O ATOM 1844 CB GLU A 112 2.148 8.316 12.987 1.00 0.00 C ATOM 1845 CG GLU A 112 1.606 6.898 12.939 1.00 0.00 C ATOM 1846 CD GLU A 112 2.524 5.900 13.608 1.00 0.00 C ATOM 1847 OE1 GLU A 112 2.528 5.841 14.856 1.00 0.00 O ATOM 1848 OE2 GLU A 112 3.227 5.154 12.900 1.00 0.00 O ATOM 0 H GLU A 112 1.502 8.711 10.655 1.00 0.00 H new ATOM 0 HA GLU A 112 0.188 9.161 13.135 1.00 0.00 H new ATOM 0 HB2 GLU A 112 3.004 8.394 12.317 1.00 0.00 H new ATOM 0 HB3 GLU A 112 2.511 8.526 13.993 1.00 0.00 H new ATOM 0 HG2 GLU A 112 0.630 6.870 13.424 1.00 0.00 H new ATOM 0 HG3 GLU A 112 1.454 6.606 11.900 1.00 0.00 H new ATOM 1855 N LYS A 113 2.162 11.483 12.064 1.00 0.00 N ATOM 1856 CA LYS A 113 2.574 12.863 12.278 1.00 0.00 C ATOM 1857 C LYS A 113 1.363 13.798 12.239 1.00 0.00 C ATOM 1858 O LYS A 113 0.271 13.447 12.687 1.00 0.00 O ATOM 1859 CB LYS A 113 3.590 13.273 11.204 1.00 0.00 C ATOM 1860 CG LYS A 113 5.023 12.861 11.511 1.00 0.00 C ATOM 1861 CD LYS A 113 5.679 13.824 12.493 1.00 0.00 C ATOM 1862 CE LYS A 113 5.876 15.196 11.865 1.00 0.00 C ATOM 1863 NZ LYS A 113 6.429 16.180 12.831 1.00 0.00 N ATOM 0 H LYS A 113 2.361 11.130 11.128 1.00 0.00 H new ATOM 0 HA LYS A 113 3.038 12.941 13.261 1.00 0.00 H new ATOM 0 HB2 LYS A 113 3.293 12.833 10.252 1.00 0.00 H new ATOM 0 HB3 LYS A 113 3.554 14.355 11.080 1.00 0.00 H new ATOM 0 HG2 LYS A 113 5.033 11.853 11.926 1.00 0.00 H new ATOM 0 HG3 LYS A 113 5.601 12.831 10.587 1.00 0.00 H new ATOM 0 HD2 LYS A 113 5.061 13.915 13.386 1.00 0.00 H new ATOM 0 HD3 LYS A 113 6.642 13.424 12.811 1.00 0.00 H new ATOM 0 HE2 LYS A 113 6.548 15.110 11.011 1.00 0.00 H new ATOM 0 HE3 LYS A 113 4.922 15.560 11.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 6.547 17.100 12.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 5.776 16.283 13.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 7.352 15.847 13.176 1.00 0.00 H new ATOM 1877 N LYS A 114 1.572 14.991 11.716 1.00 0.00 N ATOM 1878 CA LYS A 114 0.514 15.980 11.600 1.00 0.00 C ATOM 1879 C LYS A 114 0.758 16.797 10.340 1.00 0.00 C ATOM 1880 O LYS A 114 -0.136 16.975 9.515 1.00 0.00 O ATOM 1881 CB LYS A 114 0.484 16.868 12.855 1.00 0.00 C ATOM 1882 CG LYS A 114 -0.762 17.733 12.984 1.00 0.00 C ATOM 1883 CD LYS A 114 -0.621 19.047 12.239 1.00 0.00 C ATOM 1884 CE LYS A 114 -1.944 19.784 12.149 1.00 0.00 C ATOM 1885 NZ LYS A 114 -2.950 19.015 11.368 1.00 0.00 N ATOM 0 H LYS A 114 2.476 15.303 11.360 1.00 0.00 H new ATOM 0 HA LYS A 114 -0.459 15.494 11.524 1.00 0.00 H new ATOM 0 HB2 LYS A 114 0.563 16.232 13.737 1.00 0.00 H new ATOM 0 HB3 LYS A 114 1.361 17.515 12.849 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -1.623 17.188 12.598 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -0.957 17.933 14.038 1.00 0.00 H new ATOM 0 HD2 LYS A 114 0.112 19.675 12.744 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.241 18.858 11.235 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -2.327 19.969 13.153 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.788 20.757 11.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -3.698 19.657 11.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -2.488 18.572 10.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -3.368 18.278 11.971 1.00 0.00 H new ATOM 1899 N ASN A 115 1.984 17.281 10.215 1.00 0.00 N ATOM 1900 CA ASN A 115 2.467 17.894 8.986 1.00 0.00 C ATOM 1901 C ASN A 115 3.930 17.524 8.800 1.00 0.00 C ATOM 1902 O ASN A 115 4.292 16.974 7.740 1.00 0.00 O ATOM 1903 CB ASN A 115 2.325 19.422 9.007 1.00 0.00 C ATOM 1904 CG ASN A 115 0.938 19.900 8.623 1.00 0.00 C ATOM 1905 OD1 ASN A 115 0.073 20.101 9.479 1.00 0.00 O ATOM 1906 ND2 ASN A 115 0.714 20.100 7.334 1.00 0.00 N ATOM 1907 OXT ASN A 115 4.710 17.752 9.748 1.00 0.00 O ATOM 0 H ASN A 115 2.675 17.260 10.965 1.00 0.00 H new ATOM 0 HA ASN A 115 1.862 17.522 8.159 1.00 0.00 H new ATOM 0 HB2 ASN A 115 2.565 19.789 10.005 1.00 0.00 H new ATOM 0 HB3 ASN A 115 3.054 19.857 8.324 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -0.198 20.431 7.020 1.00 0.00 H new ATOM 0 HD22 ASN A 115 1.454 19.923 6.654 1.00 0.00 H new TER 1914 ASN A 115 HETATM 1915 ZN ZN A 300 0.875 0.749 -1.674 1.00 0.00 ZN HETATM 1916 ZN ZN A 400 0.849 3.680 1.300 1.00 0.00 ZN