USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 725 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 MET CE :methyl -161:sc= -1.62 (180deg=0) USER MOD Set 1.2: A 79 CYS SG : rot 177:sc= -1.34 USER MOD Set 2.1: A 74 THR OG1 : rot 63:sc= 1.24 USER MOD Set 2.2: A 78 SER OG : rot -162:sc= -1.09! USER MOD Set 3.1: A 77 LYS NZ :NH3+ -111:sc= -2.42! (180deg=-4.77!) USER MOD Set 3.2: A 82 CYS SG : rot 180:sc= -2.22! USER MOD Set 4.1: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 44 GLN : amide:sc= -0.349 X(o=-0.62,f=-0.7) USER MOD Set 5.2: A 48 THR OG1 : rot 128:sc= -1.31 USER MOD Set 5.3: A 51 CYS SG : rot -150:sc= 1.04 USER MOD Set 6.1: A 16 GLN : amide:sc= -1.62 K(o=-3.3,f=-1.1) USER MOD Set 6.2: A 106 HIS : no HD1:sc= -1.66 K(o=-3.3,f=-1.9) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 136:sc= -0.0119 (180deg=-0.537) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00894 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -6.71! C(o=-6.7!,f=-5.4!) USER MOD Single : A 22 HIS : no HD1:sc= -3.78! K(o=-3.8!,f=-1.4) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 83:sc= -0.734! USER MOD Single : A 25 HIS : no HE2:sc= -9.67! C(o=-9.7!,f=-17!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.0248) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HE2:sc= -1.59 X(o=-1.6,f=-1.6) USER MOD Single : A 35 HIS : no HD1:sc= -9.23! C(o=-9.2!,f=-10!) USER MOD Single : A 43 TYR OH : rot 54:sc= 1.1 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 180:sc= 0.0238 USER MOD Single : A 52 HIS : no HE2:sc= 0.313 K(o=0.31,f=-2.2!) USER MOD Single : A 54 ASN : amide:sc= -3.74! K(o=-3.7!,f=-1.6) USER MOD Single : A 55 MET CE :methyl -125:sc= -5.5! (180deg=-10.2!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot -56:sc= -0.862! USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HE2:sc= -11.4! C(o=-11!,f=-16!) USER MOD Single : A 70 HIS : no HE2:sc= -6.35! C(o=-6.3!,f=-16!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HE2:sc= -3.54! C(o=-3.5!,f=-14!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 19:sc= 0.574 USER MOD Single : A 100 CYS SG : rot 78:sc= 0.231 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -159:sc= 0.572 USER MOD Single : A 104 LYS NZ :NH3+ -146:sc= -0.605 (180deg=-3.29!) USER MOD Single : A 105 CYS SG : rot -100:sc= -0.984 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N PRO A 2 17.665 12.527 3.044 1.00 0.00 N ATOM 14 CA PRO A 2 16.438 12.291 3.843 1.00 0.00 C ATOM 15 C PRO A 2 16.713 11.303 4.976 1.00 0.00 C ATOM 16 O PRO A 2 17.293 10.254 4.771 1.00 0.00 O ATOM 17 CB PRO A 2 15.464 11.686 2.838 1.00 0.00 C ATOM 18 CG PRO A 2 16.326 11.077 1.778 1.00 0.00 C ATOM 19 CD PRO A 2 17.604 11.877 1.731 1.00 0.00 C ATOM 0 HA PRO A 2 16.060 13.199 4.312 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.828 10.936 3.308 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.805 12.447 2.421 1.00 0.00 H new ATOM 0 HG2 PRO A 2 16.534 10.031 2.005 1.00 0.00 H new ATOM 0 HG3 PRO A 2 15.822 11.099 0.812 1.00 0.00 H new ATOM 0 HD2 PRO A 2 18.470 11.237 1.562 1.00 0.00 H new ATOM 0 HD3 PRO A 2 17.587 12.609 0.924 1.00 0.00 H new ATOM 27 N LYS A 3 16.289 11.619 6.166 1.00 0.00 N ATOM 28 CA LYS A 3 16.517 10.684 7.300 1.00 0.00 C ATOM 29 C LYS A 3 15.265 9.851 7.542 1.00 0.00 C ATOM 30 O LYS A 3 14.414 10.199 8.337 1.00 0.00 O ATOM 31 CB LYS A 3 16.799 11.558 8.507 1.00 0.00 C ATOM 32 CG LYS A 3 18.016 12.444 8.234 1.00 0.00 C ATOM 33 CD LYS A 3 19.153 12.059 9.182 1.00 0.00 C ATOM 34 CE LYS A 3 20.145 11.153 8.448 1.00 0.00 C ATOM 35 NZ LYS A 3 21.426 11.912 8.443 1.00 0.00 N ATOM 0 H LYS A 3 15.796 12.480 6.402 1.00 0.00 H new ATOM 0 HA LYS A 3 17.340 9.998 7.100 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.930 12.177 8.730 1.00 0.00 H new ATOM 0 HB3 LYS A 3 16.980 10.936 9.383 1.00 0.00 H new ATOM 0 HG2 LYS A 3 18.337 12.329 7.199 1.00 0.00 H new ATOM 0 HG3 LYS A 3 17.753 13.493 8.372 1.00 0.00 H new ATOM 0 HD2 LYS A 3 19.660 12.954 9.542 1.00 0.00 H new ATOM 0 HD3 LYS A 3 18.753 11.546 10.057 1.00 0.00 H new ATOM 0 HE2 LYS A 3 20.255 10.195 8.956 1.00 0.00 H new ATOM 0 HE3 LYS A 3 19.809 10.939 7.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 22.157 11.355 7.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 21.292 12.816 7.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 21.725 12.095 9.422 1.00 0.00 H new ATOM 49 N ALA A 4 15.152 8.759 6.859 1.00 0.00 N ATOM 50 CA ALA A 4 13.957 7.884 7.031 1.00 0.00 C ATOM 51 C ALA A 4 13.569 7.814 8.509 1.00 0.00 C ATOM 52 O ALA A 4 14.421 7.763 9.374 1.00 0.00 O ATOM 53 CB ALA A 4 14.395 6.508 6.525 1.00 0.00 C ATOM 0 H ALA A 4 15.838 8.425 6.181 1.00 0.00 H new ATOM 0 HA ALA A 4 13.088 8.257 6.489 1.00 0.00 H new ATOM 0 HB1 ALA A 4 13.567 5.805 6.619 1.00 0.00 H new ATOM 0 HB2 ALA A 4 14.691 6.582 5.479 1.00 0.00 H new ATOM 0 HB3 ALA A 4 15.240 6.155 7.117 1.00 0.00 H new ATOM 59 N PRO A 5 12.287 7.822 8.747 1.00 0.00 N ATOM 60 CA PRO A 5 11.773 7.765 10.128 1.00 0.00 C ATOM 61 C PRO A 5 11.807 6.337 10.668 1.00 0.00 C ATOM 62 O PRO A 5 11.881 5.377 9.926 1.00 0.00 O ATOM 63 CB PRO A 5 10.346 8.291 10.002 1.00 0.00 C ATOM 64 CG PRO A 5 9.948 8.069 8.571 1.00 0.00 C ATOM 65 CD PRO A 5 11.210 7.880 7.758 1.00 0.00 C ATOM 0 HA PRO A 5 12.369 8.348 10.831 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.675 7.764 10.680 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.296 9.348 10.262 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.305 7.193 8.486 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.378 8.920 8.198 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.166 6.965 7.167 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.358 8.704 7.060 1.00 0.00 H new ATOM 73 N ALA A 6 11.771 6.199 11.962 1.00 0.00 N ATOM 74 CA ALA A 6 11.817 4.848 12.576 1.00 0.00 C ATOM 75 C ALA A 6 10.676 3.983 12.055 1.00 0.00 C ATOM 76 O ALA A 6 9.608 4.462 11.732 1.00 0.00 O ATOM 77 CB ALA A 6 11.661 5.090 14.077 1.00 0.00 C ATOM 0 H ALA A 6 11.711 6.972 12.625 1.00 0.00 H new ATOM 0 HA ALA A 6 12.742 4.323 12.338 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.685 4.136 14.604 1.00 0.00 H new ATOM 0 HB2 ALA A 6 12.477 5.720 14.431 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.710 5.586 14.269 1.00 0.00 H new ATOM 83 N ASP A 7 10.901 2.707 11.984 1.00 0.00 N ATOM 84 CA ASP A 7 9.845 1.785 11.499 1.00 0.00 C ATOM 85 C ASP A 7 8.629 1.882 12.416 1.00 0.00 C ATOM 86 O ASP A 7 8.714 2.354 13.533 1.00 0.00 O ATOM 87 CB ASP A 7 10.467 0.391 11.582 1.00 0.00 C ATOM 88 CG ASP A 7 11.893 0.431 11.027 1.00 0.00 C ATOM 89 OD1 ASP A 7 12.082 1.016 9.974 1.00 0.00 O ATOM 90 OD2 ASP A 7 12.771 -0.123 11.666 1.00 0.00 O ATOM 0 H ASP A 7 11.779 2.258 12.244 1.00 0.00 H new ATOM 0 HA ASP A 7 9.513 2.019 10.487 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.478 0.048 12.616 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.866 -0.321 11.016 1.00 0.00 H new ATOM 95 N GLY A 8 7.506 1.439 11.954 1.00 0.00 N ATOM 96 CA GLY A 8 6.278 1.497 12.791 1.00 0.00 C ATOM 97 C GLY A 8 5.420 2.692 12.374 1.00 0.00 C ATOM 98 O GLY A 8 4.494 3.070 13.063 1.00 0.00 O ATOM 0 H GLY A 8 7.379 1.035 11.026 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.709 0.574 12.682 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.548 1.582 13.843 1.00 0.00 H new ATOM 102 N LEU A 9 5.709 3.284 11.249 1.00 0.00 N ATOM 103 CA LEU A 9 4.890 4.442 10.799 1.00 0.00 C ATOM 104 C LEU A 9 3.448 3.992 10.642 1.00 0.00 C ATOM 105 O LEU A 9 3.166 3.005 9.998 1.00 0.00 O ATOM 106 CB LEU A 9 5.464 4.868 9.452 1.00 0.00 C ATOM 107 CG LEU A 9 5.713 6.377 9.469 1.00 0.00 C ATOM 108 CD1 LEU A 9 6.912 6.697 8.577 1.00 0.00 C ATOM 109 CD2 LEU A 9 4.481 7.118 8.940 1.00 0.00 C ATOM 0 H LEU A 9 6.472 3.018 10.626 1.00 0.00 H new ATOM 0 HA LEU A 9 4.914 5.268 11.510 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.394 4.336 9.254 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.772 4.610 8.650 1.00 0.00 H new ATOM 0 HG LEU A 9 5.912 6.696 10.492 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.095 7.772 8.585 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.793 6.176 8.951 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.704 6.372 7.558 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.668 8.192 8.956 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.277 6.800 7.918 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.621 6.890 9.570 1.00 0.00 H new ATOM 121 N LYS A 10 2.534 4.693 11.231 1.00 0.00 N ATOM 122 CA LYS A 10 1.111 4.274 11.117 1.00 0.00 C ATOM 123 C LYS A 10 0.365 5.120 10.089 1.00 0.00 C ATOM 124 O LYS A 10 0.147 6.301 10.272 1.00 0.00 O ATOM 125 CB LYS A 10 0.514 4.476 12.502 1.00 0.00 C ATOM 126 CG LYS A 10 0.325 3.117 13.177 1.00 0.00 C ATOM 127 CD LYS A 10 -0.872 3.179 14.128 1.00 0.00 C ATOM 128 CE LYS A 10 -2.126 2.687 13.401 1.00 0.00 C ATOM 129 NZ LYS A 10 -3.185 2.648 14.446 1.00 0.00 N ATOM 0 H LYS A 10 2.703 5.533 11.784 1.00 0.00 H new ATOM 0 HA LYS A 10 1.031 3.240 10.783 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.169 5.105 13.104 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.443 4.993 12.426 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.165 2.345 12.424 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.226 2.844 13.727 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.684 2.564 15.008 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.019 4.200 14.479 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.399 3.358 12.587 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.967 1.702 12.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.077 2.320 14.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.900 1.996 15.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.319 3.601 14.840 1.00 0.00 H new ATOM 143 N MET A 11 -0.056 4.505 9.023 1.00 0.00 N ATOM 144 CA MET A 11 -0.824 5.242 7.984 1.00 0.00 C ATOM 145 C MET A 11 -2.302 5.179 8.350 1.00 0.00 C ATOM 146 O MET A 11 -2.966 4.200 8.093 1.00 0.00 O ATOM 147 CB MET A 11 -0.559 4.490 6.680 1.00 0.00 C ATOM 148 CG MET A 11 0.542 5.201 5.895 1.00 0.00 C ATOM 149 SD MET A 11 0.528 4.626 4.179 1.00 0.00 S ATOM 150 CE MET A 11 1.463 3.100 4.442 1.00 0.00 C ATOM 0 H MET A 11 0.100 3.517 8.825 1.00 0.00 H new ATOM 0 HA MET A 11 -0.539 6.290 7.897 1.00 0.00 H new ATOM 0 HB2 MET A 11 -0.262 3.463 6.894 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.471 4.441 6.085 1.00 0.00 H new ATOM 0 HG2 MET A 11 0.389 6.280 5.929 1.00 0.00 H new ATOM 0 HG3 MET A 11 1.513 5.002 6.348 1.00 0.00 H new ATOM 0 HE1 MET A 11 0.988 2.284 3.898 1.00 0.00 H new ATOM 0 HE2 MET A 11 2.483 3.232 4.081 1.00 0.00 H new ATOM 0 HE3 MET A 11 1.482 2.864 5.506 1.00 0.00 H new ATOM 160 N ASP A 12 -2.815 6.201 8.974 1.00 0.00 N ATOM 161 CA ASP A 12 -4.252 6.171 9.378 1.00 0.00 C ATOM 162 C ASP A 12 -5.078 7.140 8.538 1.00 0.00 C ATOM 163 O ASP A 12 -6.185 7.497 8.891 1.00 0.00 O ATOM 164 CB ASP A 12 -4.259 6.597 10.842 1.00 0.00 C ATOM 165 CG ASP A 12 -3.282 7.754 11.054 1.00 0.00 C ATOM 166 OD1 ASP A 12 -2.089 7.500 11.077 1.00 0.00 O ATOM 167 OD2 ASP A 12 -3.743 8.875 11.189 1.00 0.00 O ATOM 0 H ASP A 12 -2.308 7.051 9.221 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.692 5.184 9.231 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.264 6.900 11.136 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.981 5.755 11.476 1.00 0.00 H new ATOM 172 N LYS A 13 -4.555 7.561 7.430 1.00 0.00 N ATOM 173 CA LYS A 13 -5.314 8.500 6.563 1.00 0.00 C ATOM 174 C LYS A 13 -6.729 7.968 6.319 1.00 0.00 C ATOM 175 O LYS A 13 -7.664 8.720 6.133 1.00 0.00 O ATOM 176 CB LYS A 13 -4.522 8.536 5.261 1.00 0.00 C ATOM 177 CG LYS A 13 -3.316 9.461 5.429 1.00 0.00 C ATOM 178 CD LYS A 13 -3.798 10.881 5.729 1.00 0.00 C ATOM 179 CE LYS A 13 -2.619 11.852 5.633 1.00 0.00 C ATOM 180 NZ LYS A 13 -3.122 13.126 6.218 1.00 0.00 N ATOM 0 H LYS A 13 -3.633 7.297 7.083 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.424 9.489 7.008 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.191 7.532 4.996 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.155 8.889 4.447 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.680 9.103 6.239 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.711 9.455 4.522 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.578 11.168 5.024 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.238 10.924 6.725 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.755 11.479 6.183 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.304 11.990 4.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.369 13.843 6.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.940 13.460 5.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.408 12.966 7.205 1.00 0.00 H new ATOM 194 N THR A 14 -6.888 6.673 6.319 1.00 0.00 N ATOM 195 CA THR A 14 -8.244 6.085 6.087 1.00 0.00 C ATOM 196 C THR A 14 -8.723 5.326 7.328 1.00 0.00 C ATOM 197 O THR A 14 -8.009 5.189 8.301 1.00 0.00 O ATOM 198 CB THR A 14 -8.071 5.125 4.910 1.00 0.00 C ATOM 199 OG1 THR A 14 -6.916 4.325 5.115 1.00 0.00 O ATOM 200 CG2 THR A 14 -7.917 5.925 3.618 1.00 0.00 C ATOM 0 H THR A 14 -6.141 5.995 6.469 1.00 0.00 H new ATOM 0 HA THR A 14 -8.988 6.854 5.881 1.00 0.00 H new ATOM 0 HB THR A 14 -8.947 4.481 4.835 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.807 3.709 4.361 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.794 5.241 2.779 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.806 6.536 3.460 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.042 6.570 3.692 1.00 0.00 H new ATOM 208 N LYS A 15 -9.930 4.828 7.295 1.00 0.00 N ATOM 209 CA LYS A 15 -10.464 4.073 8.465 1.00 0.00 C ATOM 210 C LYS A 15 -9.601 2.839 8.727 1.00 0.00 C ATOM 211 O LYS A 15 -9.545 2.328 9.828 1.00 0.00 O ATOM 212 CB LYS A 15 -11.880 3.663 8.060 1.00 0.00 C ATOM 213 CG LYS A 15 -12.884 4.667 8.628 1.00 0.00 C ATOM 214 CD LYS A 15 -13.528 5.451 7.483 1.00 0.00 C ATOM 215 CE LYS A 15 -13.636 6.927 7.871 1.00 0.00 C ATOM 216 NZ LYS A 15 -14.899 7.399 7.239 1.00 0.00 N ATOM 0 H LYS A 15 -10.571 4.912 6.506 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.460 4.666 9.380 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.962 3.625 6.974 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.101 2.662 8.431 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.650 4.146 9.202 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.383 5.350 9.313 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.933 5.345 6.576 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.517 5.049 7.264 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.666 7.049 8.954 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.778 7.494 7.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.043 8.405 7.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.838 7.276 6.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.699 6.846 7.607 1.00 0.00 H new ATOM 230 N GLN A 16 -8.921 2.362 7.722 1.00 0.00 N ATOM 231 CA GLN A 16 -8.049 1.168 7.906 1.00 0.00 C ATOM 232 C GLN A 16 -6.588 1.611 7.981 1.00 0.00 C ATOM 233 O GLN A 16 -5.876 1.566 6.999 1.00 0.00 O ATOM 234 CB GLN A 16 -8.289 0.306 6.666 1.00 0.00 C ATOM 235 CG GLN A 16 -9.572 -0.507 6.848 1.00 0.00 C ATOM 236 CD GLN A 16 -9.342 -1.940 6.366 1.00 0.00 C ATOM 237 OE1 GLN A 16 -10.177 -2.508 5.691 1.00 0.00 O ATOM 238 NE2 GLN A 16 -8.235 -2.552 6.685 1.00 0.00 N ATOM 0 H GLN A 16 -8.932 2.749 6.778 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.270 0.622 8.823 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.369 0.938 5.781 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.443 -0.362 6.505 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.868 -0.508 7.897 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.387 -0.050 6.287 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.534 -2.075 7.252 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.071 -3.507 6.368 1.00 0.00 H new ATOM 247 N PRO A 17 -6.196 2.039 9.150 1.00 0.00 N ATOM 248 CA PRO A 17 -4.806 2.517 9.366 1.00 0.00 C ATOM 249 C PRO A 17 -3.799 1.371 9.236 1.00 0.00 C ATOM 250 O PRO A 17 -3.963 0.315 9.813 1.00 0.00 O ATOM 251 CB PRO A 17 -4.836 3.067 10.790 1.00 0.00 C ATOM 252 CG PRO A 17 -5.969 2.351 11.449 1.00 0.00 C ATOM 253 CD PRO A 17 -6.997 2.114 10.375 1.00 0.00 C ATOM 0 HA PRO A 17 -4.495 3.260 8.631 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.895 2.879 11.307 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.993 4.146 10.795 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.634 1.409 11.883 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.385 2.946 12.262 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.554 1.193 10.548 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.725 2.924 10.330 1.00 0.00 H new ATOM 261 N VAL A 18 -2.756 1.579 8.477 1.00 0.00 N ATOM 262 CA VAL A 18 -1.730 0.517 8.300 1.00 0.00 C ATOM 263 C VAL A 18 -0.364 1.020 8.768 1.00 0.00 C ATOM 264 O VAL A 18 0.016 2.146 8.513 1.00 0.00 O ATOM 265 CB VAL A 18 -1.710 0.249 6.798 1.00 0.00 C ATOM 266 CG1 VAL A 18 -0.443 -0.523 6.443 1.00 0.00 C ATOM 267 CG2 VAL A 18 -2.939 -0.575 6.409 1.00 0.00 C ATOM 0 H VAL A 18 -2.572 2.445 7.970 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.954 -0.380 8.878 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.725 1.195 6.257 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.424 -0.717 5.371 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.431 0.065 6.721 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.430 -1.470 6.983 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.924 -0.766 5.336 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.926 -1.523 6.947 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.843 -0.024 6.667 1.00 0.00 H new ATOM 277 N VAL A 19 0.380 0.195 9.448 1.00 0.00 N ATOM 278 CA VAL A 19 1.722 0.624 9.929 1.00 0.00 C ATOM 279 C VAL A 19 2.796 0.282 8.889 1.00 0.00 C ATOM 280 O VAL A 19 2.892 -0.841 8.434 1.00 0.00 O ATOM 281 CB VAL A 19 1.951 -0.176 11.211 1.00 0.00 C ATOM 282 CG1 VAL A 19 3.345 0.129 11.763 1.00 0.00 C ATOM 283 CG2 VAL A 19 0.896 0.209 12.250 1.00 0.00 C ATOM 0 H VAL A 19 0.117 -0.760 9.692 1.00 0.00 H new ATOM 0 HA VAL A 19 1.775 1.700 10.098 1.00 0.00 H new ATOM 0 HB VAL A 19 1.873 -1.241 10.991 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.507 -0.442 12.677 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.097 -0.147 11.024 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.425 1.194 11.981 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.060 -0.362 13.164 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.973 1.274 12.469 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.097 -0.010 11.858 1.00 0.00 H new ATOM 293 N PHE A 20 3.613 1.233 8.516 1.00 0.00 N ATOM 294 CA PHE A 20 4.680 0.940 7.515 1.00 0.00 C ATOM 295 C PHE A 20 6.043 0.888 8.205 1.00 0.00 C ATOM 296 O PHE A 20 6.477 1.846 8.811 1.00 0.00 O ATOM 297 CB PHE A 20 4.650 2.093 6.510 1.00 0.00 C ATOM 298 CG PHE A 20 5.746 1.879 5.490 1.00 0.00 C ATOM 299 CD1 PHE A 20 5.696 0.771 4.637 1.00 0.00 C ATOM 300 CD2 PHE A 20 6.816 2.779 5.400 1.00 0.00 C ATOM 301 CE1 PHE A 20 6.712 0.563 3.696 1.00 0.00 C ATOM 302 CE2 PHE A 20 7.830 2.571 4.459 1.00 0.00 C ATOM 303 CZ PHE A 20 7.779 1.465 3.608 1.00 0.00 C ATOM 0 H PHE A 20 3.588 2.193 8.859 1.00 0.00 H new ATOM 0 HA PHE A 20 4.515 -0.021 7.027 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.679 2.139 6.017 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.792 3.044 7.023 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.873 0.075 4.704 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.858 3.634 6.058 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.672 -0.293 3.038 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.653 3.267 4.391 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.563 1.306 2.882 1.00 0.00 H new ATOM 313 N ASN A 21 6.723 -0.219 8.115 1.00 0.00 N ATOM 314 CA ASN A 21 8.052 -0.324 8.761 1.00 0.00 C ATOM 315 C ASN A 21 9.154 -0.105 7.723 1.00 0.00 C ATOM 316 O ASN A 21 9.505 -1.000 6.980 1.00 0.00 O ATOM 317 CB ASN A 21 8.092 -1.749 9.299 1.00 0.00 C ATOM 318 CG ASN A 21 8.154 -1.726 10.827 1.00 0.00 C ATOM 319 OD1 ASN A 21 9.088 -2.232 11.417 1.00 0.00 O ATOM 320 ND2 ASN A 21 7.190 -1.156 11.498 1.00 0.00 N ATOM 0 H ASN A 21 6.412 -1.055 7.620 1.00 0.00 H new ATOM 0 HA ASN A 21 8.207 0.418 9.544 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.208 -2.296 8.970 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.959 -2.274 8.899 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.221 -1.135 12.517 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.406 -0.731 11.003 1.00 0.00 H new ATOM 327 N HIS A 22 9.701 1.078 7.663 1.00 0.00 N ATOM 328 CA HIS A 22 10.777 1.344 6.667 1.00 0.00 C ATOM 329 C HIS A 22 11.836 0.242 6.744 1.00 0.00 C ATOM 330 O HIS A 22 12.412 -0.147 5.749 1.00 0.00 O ATOM 331 CB HIS A 22 11.376 2.689 7.075 1.00 0.00 C ATOM 332 CG HIS A 22 10.576 3.813 6.471 1.00 0.00 C ATOM 333 ND1 HIS A 22 9.742 4.614 7.236 1.00 0.00 N ATOM 334 CD2 HIS A 22 10.505 4.314 5.192 1.00 0.00 C ATOM 335 CE1 HIS A 22 9.218 5.548 6.425 1.00 0.00 C ATOM 336 NE2 HIS A 22 9.652 5.414 5.170 1.00 0.00 N ATOM 0 H HIS A 22 9.451 1.868 8.257 1.00 0.00 H new ATOM 0 HA HIS A 22 10.401 1.363 5.644 1.00 0.00 H new ATOM 0 HB2 HIS A 22 11.383 2.779 8.161 1.00 0.00 H new ATOM 0 HB3 HIS A 22 12.413 2.750 6.744 1.00 0.00 H new ATOM 0 HD2 HIS A 22 11.030 3.915 4.337 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.529 6.314 6.749 1.00 0.00 H new ATOM 0 HE2 HIS A 22 9.410 5.994 4.366 1.00 0.00 H new ATOM 344 N SER A 23 12.094 -0.268 7.919 1.00 0.00 N ATOM 345 CA SER A 23 13.111 -1.348 8.051 1.00 0.00 C ATOM 346 C SER A 23 12.832 -2.444 7.021 1.00 0.00 C ATOM 347 O SER A 23 13.729 -2.951 6.377 1.00 0.00 O ATOM 348 CB SER A 23 12.942 -1.887 9.470 1.00 0.00 C ATOM 349 OG SER A 23 13.323 -3.256 9.502 1.00 0.00 O ATOM 0 H SER A 23 11.645 0.016 8.790 1.00 0.00 H new ATOM 0 HA SER A 23 14.126 -0.990 7.877 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.553 -1.311 10.165 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.906 -1.778 9.791 1.00 0.00 H new ATOM 0 HG SER A 23 13.217 -3.604 10.412 1.00 0.00 H new ATOM 355 N THR A 24 11.589 -2.803 6.852 1.00 0.00 N ATOM 356 CA THR A 24 11.245 -3.854 5.854 1.00 0.00 C ATOM 357 C THR A 24 11.368 -3.278 4.443 1.00 0.00 C ATOM 358 O THR A 24 11.229 -3.977 3.459 1.00 0.00 O ATOM 359 CB THR A 24 9.795 -4.236 6.155 1.00 0.00 C ATOM 360 OG1 THR A 24 9.344 -3.522 7.299 1.00 0.00 O ATOM 361 CG2 THR A 24 9.705 -5.738 6.421 1.00 0.00 C ATOM 0 H THR A 24 10.796 -2.413 7.362 1.00 0.00 H new ATOM 0 HA THR A 24 11.906 -4.719 5.912 1.00 0.00 H new ATOM 0 HB THR A 24 9.169 -3.983 5.299 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.045 -2.628 7.030 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.671 -6.008 6.635 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.048 -6.284 5.542 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.332 -5.994 7.275 1.00 0.00 H new ATOM 369 N HIS A 25 11.614 -2.001 4.341 1.00 0.00 N ATOM 370 CA HIS A 25 11.732 -1.367 3.008 1.00 0.00 C ATOM 371 C HIS A 25 13.094 -0.689 2.852 1.00 0.00 C ATOM 372 O HIS A 25 13.460 -0.248 1.780 1.00 0.00 O ATOM 373 CB HIS A 25 10.599 -0.351 2.999 1.00 0.00 C ATOM 374 CG HIS A 25 9.313 -1.085 3.234 1.00 0.00 C ATOM 375 ND1 HIS A 25 8.827 -1.331 4.510 1.00 0.00 N ATOM 376 CD2 HIS A 25 8.424 -1.672 2.374 1.00 0.00 C ATOM 377 CE1 HIS A 25 7.693 -2.040 4.379 1.00 0.00 C ATOM 378 NE2 HIS A 25 7.404 -2.276 3.099 1.00 0.00 N ATOM 0 H HIS A 25 11.738 -1.369 5.132 1.00 0.00 H new ATOM 0 HA HIS A 25 11.663 -2.077 2.184 1.00 0.00 H new ATOM 0 HB2 HIS A 25 10.755 0.400 3.773 1.00 0.00 H new ATOM 0 HB3 HIS A 25 10.568 0.176 2.045 1.00 0.00 H new ATOM 0 HD1 HIS A 25 9.252 -1.029 5.387 1.00 0.00 H new ATOM 0 HD2 HIS A 25 8.503 -1.666 1.297 1.00 0.00 H new ATOM 0 HE1 HIS A 25 7.090 -2.377 5.209 1.00 0.00 H new ATOM 386 N LYS A 26 13.857 -0.612 3.908 1.00 0.00 N ATOM 387 CA LYS A 26 15.199 0.024 3.804 1.00 0.00 C ATOM 388 C LYS A 26 15.953 -0.574 2.616 1.00 0.00 C ATOM 389 O LYS A 26 16.833 0.042 2.046 1.00 0.00 O ATOM 390 CB LYS A 26 15.905 -0.313 5.118 1.00 0.00 C ATOM 391 CG LYS A 26 16.276 -1.798 5.134 1.00 0.00 C ATOM 392 CD LYS A 26 17.196 -2.081 6.323 1.00 0.00 C ATOM 393 CE LYS A 26 18.648 -1.814 5.919 1.00 0.00 C ATOM 394 NZ LYS A 26 19.104 -0.723 6.826 1.00 0.00 N ATOM 0 H LYS A 26 13.610 -0.961 4.834 1.00 0.00 H new ATOM 0 HA LYS A 26 15.144 1.101 3.646 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.801 0.298 5.228 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.255 -0.081 5.962 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.375 -2.408 5.204 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.773 -2.070 4.203 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.920 -1.450 7.168 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.082 -3.115 6.647 1.00 0.00 H new ATOM 0 HE2 LYS A 26 19.261 -2.707 6.036 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.718 -1.514 4.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 20.093 -0.483 6.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 18.506 0.116 6.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.032 -1.040 7.814 1.00 0.00 H new ATOM 408 N ALA A 27 15.606 -1.773 2.233 1.00 0.00 N ATOM 409 CA ALA A 27 16.286 -2.419 1.076 1.00 0.00 C ATOM 410 C ALA A 27 15.529 -2.098 -0.214 1.00 0.00 C ATOM 411 O ALA A 27 15.962 -2.430 -1.301 1.00 0.00 O ATOM 412 CB ALA A 27 16.236 -3.919 1.371 1.00 0.00 C ATOM 0 H ALA A 27 14.878 -2.334 2.674 1.00 0.00 H new ATOM 0 HA ALA A 27 17.310 -2.068 0.945 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.719 -4.465 0.561 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.756 -4.123 2.307 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.197 -4.239 1.456 1.00 0.00 H new ATOM 418 N VAL A 28 14.405 -1.443 -0.103 1.00 0.00 N ATOM 419 CA VAL A 28 13.622 -1.086 -1.317 1.00 0.00 C ATOM 420 C VAL A 28 14.205 0.176 -1.936 1.00 0.00 C ATOM 421 O VAL A 28 15.134 0.759 -1.413 1.00 0.00 O ATOM 422 CB VAL A 28 12.198 -0.841 -0.816 1.00 0.00 C ATOM 423 CG1 VAL A 28 11.380 -0.112 -1.882 1.00 0.00 C ATOM 424 CG2 VAL A 28 11.532 -2.181 -0.496 1.00 0.00 C ATOM 0 H VAL A 28 13.995 -1.139 0.780 1.00 0.00 H new ATOM 0 HA VAL A 28 13.645 -1.863 -2.081 1.00 0.00 H new ATOM 0 HB VAL A 28 12.241 -0.225 0.082 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.368 0.056 -1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.848 0.846 -2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.340 -0.718 -2.787 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.517 -2.007 -0.139 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.500 -2.795 -1.396 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.104 -2.697 0.275 1.00 0.00 H new ATOM 434 N LYS A 29 13.676 0.613 -3.037 1.00 0.00 N ATOM 435 CA LYS A 29 14.222 1.843 -3.658 1.00 0.00 C ATOM 436 C LYS A 29 13.476 3.062 -3.144 1.00 0.00 C ATOM 437 O LYS A 29 12.357 3.335 -3.527 1.00 0.00 O ATOM 438 CB LYS A 29 14.009 1.691 -5.152 1.00 0.00 C ATOM 439 CG LYS A 29 15.367 1.608 -5.846 1.00 0.00 C ATOM 440 CD LYS A 29 15.770 0.141 -6.009 1.00 0.00 C ATOM 441 CE LYS A 29 16.482 -0.337 -4.741 1.00 0.00 C ATOM 442 NZ LYS A 29 17.902 0.076 -4.919 1.00 0.00 N ATOM 0 H LYS A 29 12.897 0.177 -3.530 1.00 0.00 H new ATOM 0 HA LYS A 29 15.277 1.977 -3.418 1.00 0.00 H new ATOM 0 HB2 LYS A 29 13.426 0.794 -5.359 1.00 0.00 H new ATOM 0 HB3 LYS A 29 13.441 2.537 -5.539 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.319 2.093 -6.821 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.118 2.140 -5.262 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.888 -0.471 -6.196 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.426 0.027 -6.872 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.048 0.116 -3.850 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.397 -1.417 -4.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 18.347 0.198 -3.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 18.412 -0.656 -5.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.939 0.975 -5.441 1.00 0.00 H new ATOM 456 N CYS A 30 14.097 3.795 -2.283 1.00 0.00 N ATOM 457 CA CYS A 30 13.443 5.016 -1.735 1.00 0.00 C ATOM 458 C CYS A 30 12.807 5.806 -2.880 1.00 0.00 C ATOM 459 O CYS A 30 11.883 6.571 -2.687 1.00 0.00 O ATOM 460 CB CYS A 30 14.569 5.823 -1.085 1.00 0.00 C ATOM 461 SG CYS A 30 14.954 5.127 0.541 1.00 0.00 S ATOM 0 H CYS A 30 15.035 3.608 -1.928 1.00 0.00 H new ATOM 0 HA CYS A 30 12.656 4.784 -1.018 1.00 0.00 H new ATOM 0 HB2 CYS A 30 15.456 5.805 -1.719 1.00 0.00 H new ATOM 0 HB3 CYS A 30 14.271 6.866 -0.984 1.00 0.00 H new ATOM 0 HG CYS A 30 15.912 5.812 1.091 1.00 0.00 H new ATOM 466 N GLY A 31 13.299 5.620 -4.076 1.00 0.00 N ATOM 467 CA GLY A 31 12.731 6.349 -5.244 1.00 0.00 C ATOM 468 C GLY A 31 11.565 5.550 -5.831 1.00 0.00 C ATOM 469 O GLY A 31 10.779 6.061 -6.601 1.00 0.00 O ATOM 0 H GLY A 31 14.073 4.992 -4.293 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.390 7.338 -4.937 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.500 6.498 -6.001 1.00 0.00 H new ATOM 473 N ASP A 32 11.434 4.304 -5.469 1.00 0.00 N ATOM 474 CA ASP A 32 10.304 3.500 -6.007 1.00 0.00 C ATOM 475 C ASP A 32 9.035 3.846 -5.229 1.00 0.00 C ATOM 476 O ASP A 32 7.941 3.835 -5.759 1.00 0.00 O ATOM 477 CB ASP A 32 10.711 2.044 -5.791 1.00 0.00 C ATOM 478 CG ASP A 32 10.544 1.272 -7.100 1.00 0.00 C ATOM 479 OD1 ASP A 32 9.510 1.428 -7.729 1.00 0.00 O ATOM 480 OD2 ASP A 32 11.455 0.543 -7.456 1.00 0.00 O ATOM 0 H ASP A 32 12.056 3.811 -4.828 1.00 0.00 H new ATOM 0 HA ASP A 32 10.100 3.694 -7.060 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.746 1.990 -5.453 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.097 1.595 -5.010 1.00 0.00 H new ATOM 485 N CYS A 33 9.184 4.189 -3.979 1.00 0.00 N ATOM 486 CA CYS A 33 8.001 4.580 -3.162 1.00 0.00 C ATOM 487 C CYS A 33 7.860 6.104 -3.219 1.00 0.00 C ATOM 488 O CYS A 33 6.833 6.632 -3.594 1.00 0.00 O ATOM 489 CB CYS A 33 8.326 4.121 -1.739 1.00 0.00 C ATOM 490 SG CYS A 33 7.845 2.389 -1.528 1.00 0.00 S ATOM 0 H CYS A 33 10.077 4.215 -3.487 1.00 0.00 H new ATOM 0 HA CYS A 33 7.068 4.139 -3.513 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.392 4.238 -1.544 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.799 4.745 -1.017 1.00 0.00 H new ATOM 0 HG CYS A 33 8.126 2.005 -0.318 1.00 0.00 H new ATOM 495 N HIS A 34 8.907 6.811 -2.875 1.00 0.00 N ATOM 496 CA HIS A 34 8.863 8.298 -2.936 1.00 0.00 C ATOM 497 C HIS A 34 9.326 8.751 -4.320 1.00 0.00 C ATOM 498 O HIS A 34 9.967 9.771 -4.463 1.00 0.00 O ATOM 499 CB HIS A 34 9.858 8.778 -1.879 1.00 0.00 C ATOM 500 CG HIS A 34 9.314 8.530 -0.500 1.00 0.00 C ATOM 501 ND1 HIS A 34 8.190 9.182 -0.013 1.00 0.00 N ATOM 502 CD2 HIS A 34 9.746 7.721 0.520 1.00 0.00 C ATOM 503 CE1 HIS A 34 7.991 8.759 1.248 1.00 0.00 C ATOM 504 NE2 HIS A 34 8.911 7.868 1.620 1.00 0.00 N ATOM 0 H HIS A 34 9.792 6.418 -2.554 1.00 0.00 H new ATOM 0 HA HIS A 34 7.863 8.693 -2.760 1.00 0.00 H new ATOM 0 HB2 HIS A 34 10.808 8.258 -2.001 1.00 0.00 H new ATOM 0 HB3 HIS A 34 10.057 9.841 -2.013 1.00 0.00 H new ATOM 0 HD1 HIS A 34 7.619 9.859 -0.519 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.605 7.068 0.475 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.185 9.099 1.882 1.00 0.00 H new ATOM 512 N HIS A 35 9.024 7.982 -5.331 1.00 0.00 N ATOM 513 CA HIS A 35 9.455 8.335 -6.717 1.00 0.00 C ATOM 514 C HIS A 35 9.510 9.853 -6.915 1.00 0.00 C ATOM 515 O HIS A 35 8.958 10.606 -6.137 1.00 0.00 O ATOM 516 CB HIS A 35 8.395 7.719 -7.623 1.00 0.00 C ATOM 517 CG HIS A 35 7.046 8.186 -7.187 1.00 0.00 C ATOM 518 ND1 HIS A 35 6.566 9.416 -7.561 1.00 0.00 N ATOM 519 CD2 HIS A 35 6.065 7.607 -6.419 1.00 0.00 C ATOM 520 CE1 HIS A 35 5.342 9.555 -7.031 1.00 0.00 C ATOM 521 NE2 HIS A 35 4.982 8.479 -6.322 1.00 0.00 N ATOM 0 H HIS A 35 8.492 7.115 -5.256 1.00 0.00 H new ATOM 0 HA HIS A 35 10.457 7.964 -6.933 1.00 0.00 H new ATOM 0 HB2 HIS A 35 8.575 8.005 -8.659 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.449 6.631 -7.578 1.00 0.00 H new ATOM 0 HD2 HIS A 35 6.124 6.630 -5.962 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.722 10.430 -7.161 1.00 0.00 H new ATOM 0 HE2 HIS A 35 4.107 8.330 -5.820 1.00 0.00 H new ATOM 529 N PRO A 36 10.179 10.247 -7.964 1.00 0.00 N ATOM 530 CA PRO A 36 10.320 11.689 -8.284 1.00 0.00 C ATOM 531 C PRO A 36 8.961 12.276 -8.670 1.00 0.00 C ATOM 532 O PRO A 36 8.328 11.839 -9.610 1.00 0.00 O ATOM 533 CB PRO A 36 11.289 11.701 -9.464 1.00 0.00 C ATOM 534 CG PRO A 36 11.150 10.348 -10.081 1.00 0.00 C ATOM 535 CD PRO A 36 10.848 9.398 -8.954 1.00 0.00 C ATOM 0 HA PRO A 36 10.680 12.288 -7.448 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.038 12.488 -10.175 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.312 11.883 -9.135 1.00 0.00 H new ATOM 0 HG2 PRO A 36 10.350 10.339 -10.822 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.066 10.060 -10.597 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.207 8.579 -9.280 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.757 8.951 -8.551 1.00 0.00 H new ATOM 602 N GLU A 41 12.474 12.921 -5.764 1.00 0.00 N ATOM 603 CA GLU A 41 11.491 12.018 -5.100 1.00 0.00 C ATOM 604 C GLU A 41 10.965 12.660 -3.821 1.00 0.00 C ATOM 605 O GLU A 41 11.697 12.863 -2.873 1.00 0.00 O ATOM 606 CB GLU A 41 12.279 10.757 -4.764 1.00 0.00 C ATOM 607 CG GLU A 41 12.234 9.789 -5.946 1.00 0.00 C ATOM 608 CD GLU A 41 13.578 9.068 -6.067 1.00 0.00 C ATOM 609 OE1 GLU A 41 14.154 8.753 -5.039 1.00 0.00 O ATOM 610 OE2 GLU A 41 14.010 8.846 -7.187 1.00 0.00 O ATOM 0 HA GLU A 41 10.630 11.811 -5.736 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.312 11.014 -4.532 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.861 10.282 -3.877 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.432 9.064 -5.806 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.016 10.332 -6.866 1.00 0.00 H new ATOM 617 N ASP A 42 9.702 12.974 -3.775 1.00 0.00 N ATOM 618 CA ASP A 42 9.150 13.590 -2.541 1.00 0.00 C ATOM 619 C ASP A 42 9.303 12.612 -1.380 1.00 0.00 C ATOM 620 O ASP A 42 8.598 11.627 -1.284 1.00 0.00 O ATOM 621 CB ASP A 42 7.678 13.850 -2.832 1.00 0.00 C ATOM 622 CG ASP A 42 7.542 15.098 -3.706 1.00 0.00 C ATOM 623 OD1 ASP A 42 8.272 15.197 -4.679 1.00 0.00 O ATOM 624 OD2 ASP A 42 6.712 15.933 -3.388 1.00 0.00 O ATOM 0 H ASP A 42 9.034 12.832 -4.532 1.00 0.00 H new ATOM 0 HA ASP A 42 9.665 14.511 -2.269 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.239 12.990 -3.337 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.131 13.985 -1.899 1.00 0.00 H new ATOM 629 N TYR A 43 10.228 12.869 -0.505 1.00 0.00 N ATOM 630 CA TYR A 43 10.440 11.949 0.647 1.00 0.00 C ATOM 631 C TYR A 43 9.508 12.323 1.802 1.00 0.00 C ATOM 632 O TYR A 43 9.947 12.723 2.861 1.00 0.00 O ATOM 633 CB TYR A 43 11.902 12.149 1.050 1.00 0.00 C ATOM 634 CG TYR A 43 12.803 11.683 -0.069 1.00 0.00 C ATOM 635 CD1 TYR A 43 13.045 10.316 -0.253 1.00 0.00 C ATOM 636 CD2 TYR A 43 13.398 12.620 -0.923 1.00 0.00 C ATOM 637 CE1 TYR A 43 13.882 9.886 -1.289 1.00 0.00 C ATOM 638 CE2 TYR A 43 14.234 12.189 -1.960 1.00 0.00 C ATOM 639 CZ TYR A 43 14.477 10.823 -2.143 1.00 0.00 C ATOM 640 OH TYR A 43 15.301 10.399 -3.166 1.00 0.00 O ATOM 0 H TYR A 43 10.849 13.677 -0.535 1.00 0.00 H new ATOM 0 HA TYR A 43 10.226 10.911 0.391 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.089 13.200 1.268 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.118 11.591 1.961 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.586 9.593 0.405 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.212 13.674 -0.782 1.00 0.00 H new ATOM 0 HE1 TYR A 43 14.069 8.832 -1.430 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.692 12.911 -2.619 1.00 0.00 H new ATOM 0 HH TYR A 43 14.825 9.745 -3.720 1.00 0.00 H new ATOM 650 N GLN A 44 8.224 12.199 1.605 1.00 0.00 N ATOM 651 CA GLN A 44 7.268 12.552 2.694 1.00 0.00 C ATOM 652 C GLN A 44 6.104 11.562 2.720 1.00 0.00 C ATOM 653 O GLN A 44 5.966 10.724 1.851 1.00 0.00 O ATOM 654 CB GLN A 44 6.773 13.956 2.350 1.00 0.00 C ATOM 655 CG GLN A 44 6.205 13.964 0.929 1.00 0.00 C ATOM 656 CD GLN A 44 6.318 15.372 0.341 1.00 0.00 C ATOM 657 OE1 GLN A 44 5.340 15.934 -0.112 1.00 0.00 O ATOM 658 NE2 GLN A 44 7.479 15.970 0.327 1.00 0.00 N ATOM 0 H GLN A 44 7.796 11.870 0.740 1.00 0.00 H new ATOM 0 HA GLN A 44 7.735 12.516 3.678 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.007 14.267 3.061 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.592 14.671 2.430 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.748 13.254 0.305 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.162 13.646 0.941 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.300 15.499 0.707 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.565 16.908 -0.064 1.00 0.00 H new ATOM 667 N LYS A 45 5.268 11.648 3.716 1.00 0.00 N ATOM 668 CA LYS A 45 4.119 10.708 3.810 1.00 0.00 C ATOM 669 C LYS A 45 3.479 10.499 2.437 1.00 0.00 C ATOM 670 O LYS A 45 3.263 11.433 1.690 1.00 0.00 O ATOM 671 CB LYS A 45 3.126 11.368 4.767 1.00 0.00 C ATOM 672 CG LYS A 45 3.092 12.879 4.528 1.00 0.00 C ATOM 673 CD LYS A 45 1.940 13.494 5.325 1.00 0.00 C ATOM 674 CE LYS A 45 2.178 13.272 6.821 1.00 0.00 C ATOM 675 NZ LYS A 45 1.408 14.353 7.496 1.00 0.00 N ATOM 0 H LYS A 45 5.332 12.331 4.471 1.00 0.00 H new ATOM 0 HA LYS A 45 4.432 9.726 4.165 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.132 10.946 4.620 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.411 11.161 5.799 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.038 13.327 4.831 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.966 13.087 3.466 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.865 14.560 5.112 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.994 13.042 5.025 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.833 12.287 7.134 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.239 13.331 7.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.521 14.268 8.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.763 15.279 7.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.401 14.267 7.250 1.00 0.00 H new ATOM 689 N CYS A 46 3.174 9.277 2.109 1.00 0.00 N ATOM 690 CA CYS A 46 2.546 8.986 0.792 1.00 0.00 C ATOM 691 C CYS A 46 1.305 9.855 0.587 1.00 0.00 C ATOM 692 O CYS A 46 1.036 10.331 -0.498 1.00 0.00 O ATOM 693 CB CYS A 46 2.148 7.514 0.875 1.00 0.00 C ATOM 694 SG CYS A 46 3.637 6.491 0.994 1.00 0.00 S ATOM 0 H CYS A 46 3.334 8.461 2.700 1.00 0.00 H new ATOM 0 HA CYS A 46 3.218 9.193 -0.041 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.509 7.347 1.742 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.570 7.232 -0.005 1.00 0.00 H new ATOM 0 HG CYS A 46 3.298 5.238 1.067 1.00 0.00 H new ATOM 699 N ALA A 47 0.540 10.050 1.621 1.00 0.00 N ATOM 700 CA ALA A 47 -0.699 10.872 1.496 1.00 0.00 C ATOM 701 C ALA A 47 -0.506 12.257 2.113 1.00 0.00 C ATOM 702 O ALA A 47 -1.293 12.697 2.928 1.00 0.00 O ATOM 703 CB ALA A 47 -1.753 10.102 2.276 1.00 0.00 C ATOM 0 H ALA A 47 0.718 9.675 2.553 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.974 11.030 0.453 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.700 10.639 2.235 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.878 9.112 1.838 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.437 10.002 3.314 1.00 0.00 H new ATOM 709 N THR A 48 0.527 12.946 1.733 1.00 0.00 N ATOM 710 CA THR A 48 0.764 14.304 2.295 1.00 0.00 C ATOM 711 C THR A 48 -0.509 15.152 2.189 1.00 0.00 C ATOM 712 O THR A 48 -1.576 14.657 1.887 1.00 0.00 O ATOM 713 CB THR A 48 1.886 14.905 1.445 1.00 0.00 C ATOM 714 OG1 THR A 48 2.709 13.861 0.945 1.00 0.00 O ATOM 715 CG2 THR A 48 2.724 15.855 2.301 1.00 0.00 C ATOM 0 H THR A 48 1.221 12.629 1.056 1.00 0.00 H new ATOM 0 HA THR A 48 1.034 14.269 3.350 1.00 0.00 H new ATOM 0 HB THR A 48 1.455 15.458 0.611 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.801 13.953 -0.026 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.523 16.282 1.695 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.090 16.655 2.683 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.157 15.305 3.137 1.00 0.00 H new ATOM 723 N ALA A 49 -0.404 16.427 2.438 1.00 0.00 N ATOM 724 CA ALA A 49 -1.609 17.309 2.358 1.00 0.00 C ATOM 725 C ALA A 49 -2.017 17.534 0.899 1.00 0.00 C ATOM 726 O ALA A 49 -3.056 18.094 0.614 1.00 0.00 O ATOM 727 CB ALA A 49 -1.180 18.625 3.006 1.00 0.00 C ATOM 0 H ALA A 49 0.463 16.900 2.694 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.472 16.869 2.858 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.012 19.328 2.987 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.883 18.442 4.039 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.338 19.044 2.455 1.00 0.00 H new ATOM 733 N GLY A 50 -1.211 17.092 -0.023 1.00 0.00 N ATOM 734 CA GLY A 50 -1.548 17.265 -1.465 1.00 0.00 C ATOM 735 C GLY A 50 -1.019 16.050 -2.218 1.00 0.00 C ATOM 736 O GLY A 50 -0.840 16.066 -3.419 1.00 0.00 O ATOM 0 H GLY A 50 -0.328 16.615 0.159 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.626 17.356 -1.597 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.101 18.180 -1.854 1.00 0.00 H new ATOM 740 N CYS A 51 -0.752 15.003 -1.494 1.00 0.00 N ATOM 741 CA CYS A 51 -0.213 13.770 -2.096 1.00 0.00 C ATOM 742 C CYS A 51 -1.327 12.711 -2.177 1.00 0.00 C ATOM 743 O CYS A 51 -2.430 13.005 -2.592 1.00 0.00 O ATOM 744 CB CYS A 51 0.882 13.405 -1.097 1.00 0.00 C ATOM 745 SG CYS A 51 2.498 13.845 -1.780 1.00 0.00 S ATOM 0 H CYS A 51 -0.891 14.956 -0.485 1.00 0.00 H new ATOM 0 HA CYS A 51 0.162 13.862 -3.115 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.719 13.930 -0.156 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.847 12.338 -0.878 1.00 0.00 H new ATOM 0 HG CYS A 51 3.401 13.034 -1.315 1.00 0.00 H new ATOM 750 N HIS A 52 -1.069 11.493 -1.782 1.00 0.00 N ATOM 751 CA HIS A 52 -2.140 10.457 -1.842 1.00 0.00 C ATOM 752 C HIS A 52 -3.082 10.630 -0.649 1.00 0.00 C ATOM 753 O HIS A 52 -3.206 9.759 0.188 1.00 0.00 O ATOM 754 CB HIS A 52 -1.408 9.117 -1.746 1.00 0.00 C ATOM 755 CG HIS A 52 -0.617 8.872 -2.992 1.00 0.00 C ATOM 756 ND1 HIS A 52 -1.230 8.681 -4.206 1.00 0.00 N ATOM 757 CD2 HIS A 52 0.732 8.772 -3.226 1.00 0.00 C ATOM 758 CE1 HIS A 52 -0.266 8.475 -5.123 1.00 0.00 C ATOM 759 NE2 HIS A 52 0.951 8.524 -4.576 1.00 0.00 N ATOM 0 H HIS A 52 -0.170 11.172 -1.423 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.738 10.527 -2.751 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.746 9.117 -0.880 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.127 8.311 -1.598 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -2.235 8.693 -4.381 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.504 8.871 -2.477 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.454 8.293 -6.171 1.00 0.00 H new ATOM 767 N ASP A 53 -3.735 11.758 -0.555 1.00 0.00 N ATOM 768 CA ASP A 53 -4.651 11.991 0.599 1.00 0.00 C ATOM 769 C ASP A 53 -6.121 11.897 0.173 1.00 0.00 C ATOM 770 O ASP A 53 -6.992 12.435 0.827 1.00 0.00 O ATOM 771 CB ASP A 53 -4.325 13.406 1.080 1.00 0.00 C ATOM 772 CG ASP A 53 -5.308 13.811 2.179 1.00 0.00 C ATOM 773 OD1 ASP A 53 -5.313 13.162 3.212 1.00 0.00 O ATOM 774 OD2 ASP A 53 -6.040 14.765 1.970 1.00 0.00 O ATOM 0 H ASP A 53 -3.674 12.525 -1.225 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.512 11.242 1.379 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.304 13.447 1.458 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.385 14.107 0.248 1.00 0.00 H new ATOM 779 N ASN A 54 -6.418 11.216 -0.902 1.00 0.00 N ATOM 780 CA ASN A 54 -7.845 11.104 -1.319 1.00 0.00 C ATOM 781 C ASN A 54 -8.537 10.029 -0.478 1.00 0.00 C ATOM 782 O ASN A 54 -8.335 8.847 -0.673 1.00 0.00 O ATOM 783 CB ASN A 54 -7.808 10.709 -2.794 1.00 0.00 C ATOM 784 CG ASN A 54 -8.936 11.420 -3.542 1.00 0.00 C ATOM 785 OD1 ASN A 54 -9.066 12.626 -3.466 1.00 0.00 O ATOM 786 ND2 ASN A 54 -9.766 10.721 -4.268 1.00 0.00 N ATOM 0 H ASN A 54 -5.745 10.739 -1.501 1.00 0.00 H new ATOM 0 HA ASN A 54 -8.399 12.032 -1.176 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.845 10.976 -3.229 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -7.915 9.629 -2.895 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -10.522 11.187 -4.770 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -9.659 9.709 -4.333 1.00 0.00 H new ATOM 793 N MET A 55 -9.341 10.433 0.469 1.00 0.00 N ATOM 794 CA MET A 55 -10.035 9.437 1.337 1.00 0.00 C ATOM 795 C MET A 55 -11.250 8.848 0.618 1.00 0.00 C ATOM 796 O MET A 55 -12.054 8.156 1.209 1.00 0.00 O ATOM 797 CB MET A 55 -10.474 10.228 2.570 1.00 0.00 C ATOM 798 CG MET A 55 -9.318 10.299 3.569 1.00 0.00 C ATOM 799 SD MET A 55 -8.360 11.807 3.278 1.00 0.00 S ATOM 800 CE MET A 55 -6.822 11.253 4.053 1.00 0.00 C ATOM 0 H MET A 55 -9.547 11.410 0.679 1.00 0.00 H new ATOM 0 HA MET A 55 -9.388 8.598 1.594 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.780 11.233 2.280 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.339 9.752 3.032 1.00 0.00 H new ATOM 0 HG2 MET A 55 -9.703 10.291 4.589 1.00 0.00 H new ATOM 0 HG3 MET A 55 -8.678 9.423 3.464 1.00 0.00 H new ATOM 0 HE1 MET A 55 -6.523 11.968 4.820 1.00 0.00 H new ATOM 0 HE2 MET A 55 -6.976 10.275 4.509 1.00 0.00 H new ATOM 0 HE3 MET A 55 -6.039 11.182 3.298 1.00 0.00 H new ATOM 810 N ASP A 56 -11.389 9.111 -0.651 1.00 0.00 N ATOM 811 CA ASP A 56 -12.552 8.556 -1.398 1.00 0.00 C ATOM 812 C ASP A 56 -12.285 7.096 -1.769 1.00 0.00 C ATOM 813 O ASP A 56 -13.167 6.385 -2.208 1.00 0.00 O ATOM 814 CB ASP A 56 -12.668 9.419 -2.655 1.00 0.00 C ATOM 815 CG ASP A 56 -14.140 9.556 -3.046 1.00 0.00 C ATOM 816 OD1 ASP A 56 -14.982 9.160 -2.256 1.00 0.00 O ATOM 817 OD2 ASP A 56 -14.401 10.054 -4.128 1.00 0.00 O ATOM 0 H ASP A 56 -10.750 9.684 -1.202 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.470 8.574 -0.810 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.236 10.403 -2.474 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.104 8.968 -3.472 1.00 0.00 H new ATOM 822 N LYS A 57 -11.071 6.643 -1.598 1.00 0.00 N ATOM 823 CA LYS A 57 -10.749 5.228 -1.943 1.00 0.00 C ATOM 824 C LYS A 57 -11.377 4.862 -3.292 1.00 0.00 C ATOM 825 O LYS A 57 -11.635 3.710 -3.577 1.00 0.00 O ATOM 826 CB LYS A 57 -11.358 4.392 -0.816 1.00 0.00 C ATOM 827 CG LYS A 57 -11.277 2.908 -1.177 1.00 0.00 C ATOM 828 CD LYS A 57 -12.665 2.402 -1.572 1.00 0.00 C ATOM 829 CE LYS A 57 -13.094 1.287 -0.617 1.00 0.00 C ATOM 830 NZ LYS A 57 -14.504 0.982 -0.991 1.00 0.00 N ATOM 0 H LYS A 57 -10.291 7.190 -1.235 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.676 5.057 -2.035 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.827 4.579 0.117 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.396 4.681 -0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.577 2.761 -1.999 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.898 2.337 -0.330 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.385 3.220 -1.539 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.650 2.031 -2.597 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.458 0.408 -0.725 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.022 1.608 0.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.869 0.225 -0.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.087 1.835 -0.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.541 0.673 -1.983 1.00 0.00 H new ATOM 844 N LYS A 58 -11.623 5.838 -4.122 1.00 0.00 N ATOM 845 CA LYS A 58 -12.231 5.554 -5.453 1.00 0.00 C ATOM 846 C LYS A 58 -11.454 6.281 -6.555 1.00 0.00 C ATOM 847 O LYS A 58 -11.722 6.119 -7.729 1.00 0.00 O ATOM 848 CB LYS A 58 -13.659 6.093 -5.359 1.00 0.00 C ATOM 849 CG LYS A 58 -14.403 5.376 -4.232 1.00 0.00 C ATOM 850 CD LYS A 58 -15.392 4.372 -4.830 1.00 0.00 C ATOM 851 CE LYS A 58 -14.672 3.053 -5.115 1.00 0.00 C ATOM 852 NZ LYS A 58 -15.646 1.993 -4.735 1.00 0.00 N ATOM 0 H LYS A 58 -11.429 6.822 -3.936 1.00 0.00 H new ATOM 0 HA LYS A 58 -12.211 4.492 -5.698 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.642 7.167 -5.172 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.179 5.942 -6.305 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.694 4.862 -3.584 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.933 6.100 -3.614 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.219 4.205 -4.140 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.820 4.771 -5.750 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.393 2.975 -6.166 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -13.753 2.971 -4.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.224 1.057 -4.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.888 2.089 -3.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.508 2.092 -5.309 1.00 0.00 H new ATOM 866 N ASP A 59 -10.491 7.084 -6.185 1.00 0.00 N ATOM 867 CA ASP A 59 -9.699 7.820 -7.211 1.00 0.00 C ATOM 868 C ASP A 59 -8.683 6.881 -7.867 1.00 0.00 C ATOM 869 O ASP A 59 -7.710 6.482 -7.259 1.00 0.00 O ATOM 870 CB ASP A 59 -8.983 8.930 -6.438 1.00 0.00 C ATOM 871 CG ASP A 59 -7.804 9.452 -7.262 1.00 0.00 C ATOM 872 OD1 ASP A 59 -6.724 8.899 -7.132 1.00 0.00 O ATOM 873 OD2 ASP A 59 -8.001 10.396 -8.010 1.00 0.00 O ATOM 0 H ASP A 59 -10.220 7.261 -5.218 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.325 8.218 -8.009 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.677 9.742 -6.222 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.630 8.550 -5.480 1.00 0.00 H new ATOM 878 N LYS A 60 -8.900 6.528 -9.104 1.00 0.00 N ATOM 879 CA LYS A 60 -7.943 5.618 -9.797 1.00 0.00 C ATOM 880 C LYS A 60 -6.823 6.433 -10.452 1.00 0.00 C ATOM 881 O LYS A 60 -6.232 6.019 -11.429 1.00 0.00 O ATOM 882 CB LYS A 60 -8.777 4.901 -10.859 1.00 0.00 C ATOM 883 CG LYS A 60 -8.756 3.394 -10.592 1.00 0.00 C ATOM 884 CD LYS A 60 -7.406 2.817 -11.024 1.00 0.00 C ATOM 885 CE LYS A 60 -7.337 2.765 -12.552 1.00 0.00 C ATOM 886 NZ LYS A 60 -6.479 1.585 -12.857 1.00 0.00 N ATOM 0 H LYS A 60 -9.697 6.829 -9.665 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.467 4.916 -9.112 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.802 5.270 -10.842 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.379 5.111 -11.852 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.924 3.199 -9.533 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.563 2.906 -11.138 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.595 3.431 -10.634 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.277 1.817 -10.610 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.330 2.655 -12.989 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.909 3.681 -12.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.384 1.482 -13.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.539 1.721 -12.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.915 0.727 -12.463 1.00 0.00 H new ATOM 900 N SER A 61 -6.529 7.587 -9.919 1.00 0.00 N ATOM 901 CA SER A 61 -5.449 8.429 -10.510 1.00 0.00 C ATOM 902 C SER A 61 -4.168 8.303 -9.681 1.00 0.00 C ATOM 903 O SER A 61 -3.967 7.337 -8.973 1.00 0.00 O ATOM 904 CB SER A 61 -5.986 9.858 -10.453 1.00 0.00 C ATOM 905 OG SER A 61 -5.792 10.483 -11.715 1.00 0.00 O ATOM 0 H SER A 61 -6.989 7.984 -9.100 1.00 0.00 H new ATOM 0 HA SER A 61 -5.200 8.128 -11.527 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.045 9.851 -10.197 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.473 10.421 -9.673 1.00 0.00 H new ATOM 0 HG SER A 61 -6.137 11.400 -11.683 1.00 0.00 H new ATOM 911 N ALA A 62 -3.299 9.272 -9.768 1.00 0.00 N ATOM 912 CA ALA A 62 -2.029 9.208 -8.989 1.00 0.00 C ATOM 913 C ALA A 62 -2.135 10.071 -7.726 1.00 0.00 C ATOM 914 O ALA A 62 -1.141 10.495 -7.169 1.00 0.00 O ATOM 915 CB ALA A 62 -0.962 9.765 -9.931 1.00 0.00 C ATOM 0 H ALA A 62 -3.413 10.106 -10.345 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.797 8.195 -8.660 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.007 9.752 -9.431 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.914 9.151 -10.830 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.216 10.789 -10.204 1.00 0.00 H new ATOM 921 N LYS A 63 -3.329 10.338 -7.272 1.00 0.00 N ATOM 922 CA LYS A 63 -3.492 11.177 -6.048 1.00 0.00 C ATOM 923 C LYS A 63 -4.334 10.442 -5.007 1.00 0.00 C ATOM 924 O LYS A 63 -4.405 10.839 -3.861 1.00 0.00 O ATOM 925 CB LYS A 63 -4.226 12.431 -6.522 1.00 0.00 C ATOM 926 CG LYS A 63 -3.629 13.662 -5.839 1.00 0.00 C ATOM 927 CD LYS A 63 -2.647 14.350 -6.790 1.00 0.00 C ATOM 928 CE LYS A 63 -2.436 15.799 -6.345 1.00 0.00 C ATOM 929 NZ LYS A 63 -1.337 16.309 -7.210 1.00 0.00 N ATOM 0 H LYS A 63 -4.199 10.012 -7.694 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.534 11.408 -5.582 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.142 12.527 -7.605 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.288 12.353 -6.290 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.422 14.354 -5.556 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.118 13.370 -4.921 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.696 13.818 -6.795 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.032 14.324 -7.809 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.345 16.388 -6.472 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.166 15.853 -5.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.133 17.299 -6.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.484 15.733 -7.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.625 16.251 -8.208 1.00 0.00 H new ATOM 943 N GLY A 64 -4.979 9.379 -5.393 1.00 0.00 N ATOM 944 CA GLY A 64 -5.815 8.633 -4.424 1.00 0.00 C ATOM 945 C GLY A 64 -4.919 7.968 -3.388 1.00 0.00 C ATOM 946 O GLY A 64 -3.753 7.718 -3.621 1.00 0.00 O ATOM 0 H GLY A 64 -4.962 8.997 -6.339 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.515 9.310 -3.934 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.409 7.881 -4.943 1.00 0.00 H new ATOM 950 N TYR A 65 -5.460 7.685 -2.246 1.00 0.00 N ATOM 951 CA TYR A 65 -4.655 7.036 -1.176 1.00 0.00 C ATOM 952 C TYR A 65 -4.831 5.521 -1.226 1.00 0.00 C ATOM 953 O TYR A 65 -4.030 4.777 -0.700 1.00 0.00 O ATOM 954 CB TYR A 65 -5.219 7.584 0.129 1.00 0.00 C ATOM 955 CG TYR A 65 -4.373 7.090 1.275 1.00 0.00 C ATOM 956 CD1 TYR A 65 -2.986 7.283 1.254 1.00 0.00 C ATOM 957 CD2 TYR A 65 -4.972 6.435 2.354 1.00 0.00 C ATOM 958 CE1 TYR A 65 -2.200 6.821 2.316 1.00 0.00 C ATOM 959 CE2 TYR A 65 -4.187 5.972 3.416 1.00 0.00 C ATOM 960 CZ TYR A 65 -2.801 6.165 3.397 1.00 0.00 C ATOM 961 OH TYR A 65 -2.026 5.708 4.444 1.00 0.00 O ATOM 0 H TYR A 65 -6.432 7.875 -2.001 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.590 7.240 -1.285 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.225 8.674 0.108 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -6.252 7.262 0.257 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.523 7.788 0.419 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.042 6.286 2.368 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.130 6.970 2.302 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.651 5.466 4.250 1.00 0.00 H new ATOM 0 HH TYR A 65 -1.328 5.113 4.099 1.00 0.00 H new ATOM 971 N TYR A 66 -5.877 5.058 -1.846 1.00 0.00 N ATOM 972 CA TYR A 66 -6.108 3.593 -1.921 1.00 0.00 C ATOM 973 C TYR A 66 -5.603 3.050 -3.263 1.00 0.00 C ATOM 974 O TYR A 66 -5.075 1.960 -3.344 1.00 0.00 O ATOM 975 CB TYR A 66 -7.627 3.445 -1.791 1.00 0.00 C ATOM 976 CG TYR A 66 -8.086 2.186 -2.481 1.00 0.00 C ATOM 977 CD1 TYR A 66 -8.104 2.125 -3.877 1.00 0.00 C ATOM 978 CD2 TYR A 66 -8.496 1.083 -1.725 1.00 0.00 C ATOM 979 CE1 TYR A 66 -8.531 0.959 -4.522 1.00 0.00 C ATOM 980 CE2 TYR A 66 -8.923 -0.085 -2.366 1.00 0.00 C ATOM 981 CZ TYR A 66 -8.941 -0.147 -3.766 1.00 0.00 C ATOM 982 OH TYR A 66 -9.362 -1.298 -4.401 1.00 0.00 O ATOM 0 H TYR A 66 -6.583 5.633 -2.305 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.579 3.034 -1.149 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.908 3.415 -0.738 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -8.123 4.311 -2.229 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.788 2.978 -4.459 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -8.483 1.133 -0.646 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -8.544 0.912 -5.601 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -9.238 -0.938 -1.783 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.610 -1.969 -3.731 1.00 0.00 H new ATOM 992 N HIS A 67 -5.761 3.804 -4.316 1.00 0.00 N ATOM 993 CA HIS A 67 -5.289 3.332 -5.651 1.00 0.00 C ATOM 994 C HIS A 67 -3.787 3.031 -5.616 1.00 0.00 C ATOM 995 O HIS A 67 -3.369 1.893 -5.684 1.00 0.00 O ATOM 996 CB HIS A 67 -5.576 4.494 -6.603 1.00 0.00 C ATOM 997 CG HIS A 67 -4.736 4.337 -7.838 1.00 0.00 C ATOM 998 ND1 HIS A 67 -5.081 3.463 -8.855 1.00 0.00 N ATOM 999 CD2 HIS A 67 -3.547 4.907 -8.221 1.00 0.00 C ATOM 1000 CE1 HIS A 67 -4.116 3.524 -9.787 1.00 0.00 C ATOM 1001 NE2 HIS A 67 -3.157 4.392 -9.452 1.00 0.00 N ATOM 0 H HIS A 67 -6.196 4.726 -4.311 1.00 0.00 H new ATOM 0 HA HIS A 67 -5.787 2.413 -5.959 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -6.633 4.511 -6.867 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.354 5.443 -6.115 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.916 2.879 -8.890 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.998 5.643 -7.653 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.115 2.942 -10.697 1.00 0.00 H new ATOM 1009 N ALA A 68 -2.977 4.048 -5.525 1.00 0.00 N ATOM 1010 CA ALA A 68 -1.501 3.833 -5.503 1.00 0.00 C ATOM 1011 C ALA A 68 -1.120 2.694 -4.550 1.00 0.00 C ATOM 1012 O ALA A 68 -0.045 2.142 -4.640 1.00 0.00 O ATOM 1013 CB ALA A 68 -0.919 5.155 -5.005 1.00 0.00 C ATOM 0 H ALA A 68 -3.273 5.022 -5.465 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.122 3.552 -6.486 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.167 5.080 -4.960 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.199 5.956 -5.689 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.309 5.373 -4.011 1.00 0.00 H new ATOM 1019 N MET A 69 -1.971 2.352 -3.623 1.00 0.00 N ATOM 1020 CA MET A 69 -1.618 1.265 -2.666 1.00 0.00 C ATOM 1021 C MET A 69 -2.134 -0.095 -3.135 1.00 0.00 C ATOM 1022 O MET A 69 -1.431 -1.082 -3.064 1.00 0.00 O ATOM 1023 CB MET A 69 -2.285 1.673 -1.359 1.00 0.00 C ATOM 1024 CG MET A 69 -1.667 2.983 -0.873 1.00 0.00 C ATOM 1025 SD MET A 69 -0.722 2.689 0.641 1.00 0.00 S ATOM 1026 CE MET A 69 0.589 3.894 0.316 1.00 0.00 C ATOM 0 H MET A 69 -2.889 2.774 -3.487 1.00 0.00 H new ATOM 0 HA MET A 69 -0.538 1.151 -2.569 1.00 0.00 H new ATOM 0 HB2 MET A 69 -3.358 1.795 -1.506 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.152 0.893 -0.609 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.017 3.397 -1.644 1.00 0.00 H new ATOM 0 HG3 MET A 69 -2.450 3.718 -0.687 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.457 3.663 0.934 1.00 0.00 H new ATOM 0 HE2 MET A 69 0.871 3.850 -0.736 1.00 0.00 H new ATOM 0 HE3 MET A 69 0.230 4.895 0.554 1.00 0.00 H new ATOM 1036 N HIS A 70 -3.350 -0.173 -3.593 1.00 0.00 N ATOM 1037 CA HIS A 70 -3.880 -1.492 -4.034 1.00 0.00 C ATOM 1038 C HIS A 70 -3.685 -1.688 -5.540 1.00 0.00 C ATOM 1039 O HIS A 70 -3.734 -2.794 -6.040 1.00 0.00 O ATOM 1040 CB HIS A 70 -5.368 -1.450 -3.695 1.00 0.00 C ATOM 1041 CG HIS A 70 -5.544 -1.059 -2.257 1.00 0.00 C ATOM 1042 ND1 HIS A 70 -5.883 0.230 -1.880 1.00 0.00 N ATOM 1043 CD2 HIS A 70 -5.441 -1.775 -1.092 1.00 0.00 C ATOM 1044 CE1 HIS A 70 -5.972 0.252 -0.539 1.00 0.00 C ATOM 1045 NE2 HIS A 70 -5.713 -0.944 -0.009 1.00 0.00 N ATOM 0 H HIS A 70 -3.996 0.612 -3.681 1.00 0.00 H new ATOM 0 HA HIS A 70 -3.364 -2.318 -3.545 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.879 -0.737 -4.342 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.820 -2.425 -3.876 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -6.037 1.020 -2.507 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.188 -2.823 -1.025 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.222 1.130 0.038 1.00 0.00 H new ATOM 1053 N ASP A 71 -3.477 -0.628 -6.269 1.00 0.00 N ATOM 1054 CA ASP A 71 -3.294 -0.764 -7.741 1.00 0.00 C ATOM 1055 C ASP A 71 -1.869 -1.210 -8.074 1.00 0.00 C ATOM 1056 O ASP A 71 -0.905 -0.677 -7.564 1.00 0.00 O ATOM 1057 CB ASP A 71 -3.569 0.633 -8.286 1.00 0.00 C ATOM 1058 CG ASP A 71 -5.076 0.891 -8.262 1.00 0.00 C ATOM 1059 OD1 ASP A 71 -5.654 0.808 -7.192 1.00 0.00 O ATOM 1060 OD2 ASP A 71 -5.626 1.164 -9.317 1.00 0.00 O ATOM 0 H ASP A 71 -3.426 0.325 -5.910 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.954 -1.516 -8.175 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.050 1.380 -7.685 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.188 0.721 -9.304 1.00 0.00 H new ATOM 1065 N LYS A 72 -1.731 -2.190 -8.928 1.00 0.00 N ATOM 1066 CA LYS A 72 -0.371 -2.678 -9.299 1.00 0.00 C ATOM 1067 C LYS A 72 0.170 -1.896 -10.497 1.00 0.00 C ATOM 1068 O LYS A 72 1.254 -1.349 -10.456 1.00 0.00 O ATOM 1069 CB LYS A 72 -0.566 -4.150 -9.666 1.00 0.00 C ATOM 1070 CG LYS A 72 -1.052 -4.923 -8.439 1.00 0.00 C ATOM 1071 CD LYS A 72 -0.358 -6.285 -8.386 1.00 0.00 C ATOM 1072 CE LYS A 72 -0.900 -7.178 -9.504 1.00 0.00 C ATOM 1073 NZ LYS A 72 0.300 -7.848 -10.077 1.00 0.00 N ATOM 0 H LYS A 72 -2.504 -2.674 -9.385 1.00 0.00 H new ATOM 0 HA LYS A 72 0.346 -2.548 -8.489 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.290 -4.241 -10.476 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.371 -4.573 -10.027 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.838 -4.358 -7.532 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.133 -5.055 -8.484 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.719 -6.161 -8.496 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.528 -6.754 -7.417 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.612 -7.907 -9.117 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.423 -6.591 -10.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.009 -8.479 -10.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.957 -7.130 -10.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.774 -8.404 -9.337 1.00 0.00 H new ATOM 1087 N GLY A 73 -0.577 -1.842 -11.562 1.00 0.00 N ATOM 1088 CA GLY A 73 -0.110 -1.097 -12.767 1.00 0.00 C ATOM 1089 C GLY A 73 -0.047 0.397 -12.449 1.00 0.00 C ATOM 1090 O GLY A 73 -0.692 1.208 -13.085 1.00 0.00 O ATOM 0 H GLY A 73 -1.493 -2.282 -11.652 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.873 -1.457 -13.072 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.788 -1.274 -13.602 1.00 0.00 H new ATOM 1094 N THR A 74 0.719 0.767 -11.460 1.00 0.00 N ATOM 1095 CA THR A 74 0.821 2.205 -11.086 1.00 0.00 C ATOM 1096 C THR A 74 2.154 2.795 -11.554 1.00 0.00 C ATOM 1097 O THR A 74 3.125 2.089 -11.745 1.00 0.00 O ATOM 1098 CB THR A 74 0.759 2.208 -9.560 1.00 0.00 C ATOM 1099 OG1 THR A 74 1.503 1.105 -9.059 1.00 0.00 O ATOM 1100 CG2 THR A 74 -0.694 2.095 -9.099 1.00 0.00 C ATOM 0 H THR A 74 1.281 0.132 -10.893 1.00 0.00 H new ATOM 0 HA THR A 74 0.033 2.803 -11.544 1.00 0.00 H new ATOM 0 HB THR A 74 1.182 3.139 -9.183 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.445 1.206 -9.308 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.731 2.098 -8.010 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.265 2.940 -9.484 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.124 1.166 -9.474 1.00 0.00 H new ATOM 1108 N LYS A 75 2.210 4.090 -11.729 1.00 0.00 N ATOM 1109 CA LYS A 75 3.480 4.735 -12.168 1.00 0.00 C ATOM 1110 C LYS A 75 4.671 4.063 -11.477 1.00 0.00 C ATOM 1111 O LYS A 75 5.721 3.881 -12.062 1.00 0.00 O ATOM 1112 CB LYS A 75 3.354 6.194 -11.715 1.00 0.00 C ATOM 1113 CG LYS A 75 4.134 7.101 -12.668 1.00 0.00 C ATOM 1114 CD LYS A 75 3.642 6.885 -14.101 1.00 0.00 C ATOM 1115 CE LYS A 75 4.798 6.385 -14.970 1.00 0.00 C ATOM 1116 NZ LYS A 75 4.160 5.508 -15.991 1.00 0.00 N ATOM 0 H LYS A 75 1.428 4.729 -11.586 1.00 0.00 H new ATOM 0 HA LYS A 75 3.642 4.652 -13.243 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.305 6.489 -11.695 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.736 6.304 -10.700 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.003 8.145 -12.381 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.200 6.883 -12.602 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.827 6.162 -14.111 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.247 7.817 -14.505 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.328 7.215 -15.438 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.528 5.834 -14.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.890 5.126 -16.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.669 4.723 -15.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.475 6.061 -16.544 1.00 0.00 H new ATOM 1130 N PHE A 76 4.510 3.685 -10.237 1.00 0.00 N ATOM 1131 CA PHE A 76 5.626 3.014 -9.502 1.00 0.00 C ATOM 1132 C PHE A 76 5.120 1.751 -8.819 1.00 0.00 C ATOM 1133 O PHE A 76 3.938 1.470 -8.819 1.00 0.00 O ATOM 1134 CB PHE A 76 6.076 4.016 -8.446 1.00 0.00 C ATOM 1135 CG PHE A 76 6.429 5.318 -9.111 1.00 0.00 C ATOM 1136 CD1 PHE A 76 7.635 5.449 -9.808 1.00 0.00 C ATOM 1137 CD2 PHE A 76 5.539 6.394 -9.037 1.00 0.00 C ATOM 1138 CE1 PHE A 76 7.949 6.661 -10.430 1.00 0.00 C ATOM 1139 CE2 PHE A 76 5.854 7.604 -9.657 1.00 0.00 C ATOM 1140 CZ PHE A 76 7.057 7.738 -10.354 1.00 0.00 C ATOM 0 H PHE A 76 3.653 3.811 -9.699 1.00 0.00 H new ATOM 0 HA PHE A 76 6.435 2.728 -10.174 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.283 4.172 -7.715 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.937 3.627 -7.903 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.321 4.617 -9.865 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.608 6.289 -8.500 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.879 6.767 -10.969 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.168 8.436 -9.598 1.00 0.00 H new ATOM 0 HZ PHE A 76 7.300 8.674 -10.835 1.00 0.00 H new ATOM 1150 N LYS A 77 5.993 0.991 -8.212 1.00 0.00 N ATOM 1151 CA LYS A 77 5.513 -0.225 -7.519 1.00 0.00 C ATOM 1152 C LYS A 77 4.763 0.191 -6.259 1.00 0.00 C ATOM 1153 O LYS A 77 5.316 0.756 -5.336 1.00 0.00 O ATOM 1154 CB LYS A 77 6.746 -1.049 -7.183 1.00 0.00 C ATOM 1155 CG LYS A 77 7.696 -0.245 -6.299 1.00 0.00 C ATOM 1156 CD LYS A 77 9.035 -0.980 -6.204 1.00 0.00 C ATOM 1157 CE LYS A 77 9.549 -1.292 -7.613 1.00 0.00 C ATOM 1158 NZ LYS A 77 9.000 -2.639 -7.936 1.00 0.00 N ATOM 0 H LYS A 77 6.998 1.160 -8.169 1.00 0.00 H new ATOM 0 HA LYS A 77 4.830 -0.812 -8.134 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.451 -1.966 -6.672 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.255 -1.345 -8.100 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.843 0.752 -6.715 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.267 -0.116 -5.305 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.760 -0.368 -5.668 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.916 -1.903 -5.636 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.210 -0.545 -8.331 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.639 -1.292 -7.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.775 -3.332 -7.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.314 -2.919 -7.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.527 -2.608 -8.861 1.00 0.00 H new ATOM 1172 N SER A 78 3.498 -0.063 -6.249 1.00 0.00 N ATOM 1173 CA SER A 78 2.641 0.327 -5.093 1.00 0.00 C ATOM 1174 C SER A 78 2.785 -0.660 -3.933 1.00 0.00 C ATOM 1175 O SER A 78 3.457 -1.667 -4.036 1.00 0.00 O ATOM 1176 CB SER A 78 1.220 0.272 -5.648 1.00 0.00 C ATOM 1177 OG SER A 78 1.109 -0.836 -6.531 1.00 0.00 O ATOM 0 H SER A 78 3.002 -0.534 -7.006 1.00 0.00 H new ATOM 0 HA SER A 78 2.913 1.306 -4.698 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.502 0.178 -4.834 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.986 1.197 -6.174 1.00 0.00 H new ATOM 0 HG SER A 78 0.317 -0.725 -7.098 1.00 0.00 H new ATOM 1183 N CYS A 79 2.139 -0.379 -2.833 1.00 0.00 N ATOM 1184 CA CYS A 79 2.216 -1.297 -1.664 1.00 0.00 C ATOM 1185 C CYS A 79 1.713 -2.681 -2.075 1.00 0.00 C ATOM 1186 O CYS A 79 2.464 -3.636 -2.128 1.00 0.00 O ATOM 1187 CB CYS A 79 1.297 -0.669 -0.616 1.00 0.00 C ATOM 1188 SG CYS A 79 1.775 1.060 -0.351 1.00 0.00 S ATOM 0 H CYS A 79 1.560 0.449 -2.695 1.00 0.00 H new ATOM 0 HA CYS A 79 3.230 -1.423 -1.283 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.260 -0.724 -0.947 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.363 -1.223 0.320 1.00 0.00 H new ATOM 0 HG CYS A 79 0.948 1.616 0.484 1.00 0.00 H new ATOM 1193 N VAL A 80 0.453 -2.790 -2.390 1.00 0.00 N ATOM 1194 CA VAL A 80 -0.094 -4.108 -2.826 1.00 0.00 C ATOM 1195 C VAL A 80 0.518 -4.485 -4.178 1.00 0.00 C ATOM 1196 O VAL A 80 0.664 -5.646 -4.505 1.00 0.00 O ATOM 1197 CB VAL A 80 -1.602 -3.890 -2.959 1.00 0.00 C ATOM 1198 CG1 VAL A 80 -2.217 -5.034 -3.767 1.00 0.00 C ATOM 1199 CG2 VAL A 80 -2.242 -3.847 -1.565 1.00 0.00 C ATOM 0 H VAL A 80 -0.222 -2.026 -2.365 1.00 0.00 H new ATOM 0 HA VAL A 80 0.133 -4.913 -2.127 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.785 -2.945 -3.471 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.292 -4.877 -3.861 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.767 -5.062 -4.759 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.032 -5.980 -3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.316 -3.692 -1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.057 -4.790 -1.050 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.808 -3.029 -0.990 1.00 0.00 H new ATOM 1209 N GLY A 81 0.887 -3.504 -4.960 1.00 0.00 N ATOM 1210 CA GLY A 81 1.503 -3.795 -6.287 1.00 0.00 C ATOM 1211 C GLY A 81 2.901 -4.372 -6.070 1.00 0.00 C ATOM 1212 O GLY A 81 3.302 -5.316 -6.721 1.00 0.00 O ATOM 0 H GLY A 81 0.788 -2.514 -4.736 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.886 -4.502 -6.842 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.560 -2.885 -6.884 1.00 0.00 H new ATOM 1216 N CYS A 82 3.638 -3.824 -5.143 1.00 0.00 N ATOM 1217 CA CYS A 82 5.002 -4.354 -4.863 1.00 0.00 C ATOM 1218 C CYS A 82 4.863 -5.600 -3.999 1.00 0.00 C ATOM 1219 O CYS A 82 5.727 -6.453 -3.956 1.00 0.00 O ATOM 1220 CB CYS A 82 5.719 -3.248 -4.089 1.00 0.00 C ATOM 1221 SG CYS A 82 7.508 -3.432 -4.291 1.00 0.00 S ATOM 0 H CYS A 82 3.354 -3.031 -4.567 1.00 0.00 H new ATOM 0 HA CYS A 82 5.550 -4.620 -5.767 1.00 0.00 H new ATOM 0 HB2 CYS A 82 5.400 -2.271 -4.451 1.00 0.00 H new ATOM 0 HB3 CYS A 82 5.454 -3.298 -3.033 1.00 0.00 H new ATOM 0 HG CYS A 82 8.118 -2.490 -3.634 1.00 0.00 H new ATOM 1226 N HIS A 83 3.762 -5.700 -3.312 1.00 0.00 N ATOM 1227 CA HIS A 83 3.519 -6.874 -2.441 1.00 0.00 C ATOM 1228 C HIS A 83 3.183 -8.095 -3.302 1.00 0.00 C ATOM 1229 O HIS A 83 3.846 -9.111 -3.235 1.00 0.00 O ATOM 1230 CB HIS A 83 2.341 -6.445 -1.568 1.00 0.00 C ATOM 1231 CG HIS A 83 2.875 -5.727 -0.363 1.00 0.00 C ATOM 1232 ND1 HIS A 83 2.150 -5.601 0.812 1.00 0.00 N ATOM 1233 CD2 HIS A 83 4.071 -5.095 -0.135 1.00 0.00 C ATOM 1234 CE1 HIS A 83 2.911 -4.920 1.685 1.00 0.00 C ATOM 1235 NE2 HIS A 83 4.091 -4.589 1.159 1.00 0.00 N ATOM 0 H HIS A 83 3.013 -5.008 -3.319 1.00 0.00 H new ATOM 0 HA HIS A 83 4.380 -7.161 -1.838 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.671 -5.794 -2.130 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.759 -7.315 -1.263 1.00 0.00 H new ATOM 0 HD1 HIS A 83 1.211 -5.960 0.983 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.874 -5.005 -0.851 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.605 -4.671 2.690 1.00 0.00 H new ATOM 1243 N LEU A 84 2.177 -8.002 -4.130 1.00 0.00 N ATOM 1244 CA LEU A 84 1.832 -9.147 -5.006 1.00 0.00 C ATOM 1245 C LEU A 84 3.071 -9.578 -5.795 1.00 0.00 C ATOM 1246 O LEU A 84 3.227 -10.730 -6.151 1.00 0.00 O ATOM 1247 CB LEU A 84 0.760 -8.593 -5.937 1.00 0.00 C ATOM 1248 CG LEU A 84 -0.468 -9.498 -5.892 1.00 0.00 C ATOM 1249 CD1 LEU A 84 -1.706 -8.698 -6.298 1.00 0.00 C ATOM 1250 CD2 LEU A 84 -0.276 -10.670 -6.856 1.00 0.00 C ATOM 0 H LEU A 84 1.582 -7.180 -4.234 1.00 0.00 H new ATOM 0 HA LEU A 84 1.485 -10.023 -4.457 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.490 -7.580 -5.637 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.143 -8.532 -6.956 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.600 -9.881 -4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.583 -9.344 -6.266 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.843 -7.865 -5.608 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.575 -8.314 -7.310 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.154 -11.316 -6.823 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.143 -10.290 -7.869 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.606 -11.241 -6.564 1.00 0.00 H new ATOM 1262 N GLU A 85 3.957 -8.656 -6.062 1.00 0.00 N ATOM 1263 CA GLU A 85 5.196 -9.002 -6.816 1.00 0.00 C ATOM 1264 C GLU A 85 6.217 -9.637 -5.870 1.00 0.00 C ATOM 1265 O GLU A 85 6.801 -10.661 -6.165 1.00 0.00 O ATOM 1266 CB GLU A 85 5.719 -7.671 -7.356 1.00 0.00 C ATOM 1267 CG GLU A 85 5.136 -7.420 -8.748 1.00 0.00 C ATOM 1268 CD GLU A 85 5.807 -6.195 -9.371 1.00 0.00 C ATOM 1269 OE1 GLU A 85 6.862 -5.814 -8.889 1.00 0.00 O ATOM 1270 OE2 GLU A 85 5.256 -5.658 -10.317 1.00 0.00 O ATOM 0 H GLU A 85 3.876 -7.676 -5.790 1.00 0.00 H new ATOM 0 HA GLU A 85 5.010 -9.717 -7.617 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.443 -6.860 -6.683 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.808 -7.689 -7.404 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.291 -8.294 -9.381 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.060 -7.262 -8.680 1.00 0.00 H new ATOM 1277 N THR A 86 6.427 -9.043 -4.726 1.00 0.00 N ATOM 1278 CA THR A 86 7.400 -9.619 -3.755 1.00 0.00 C ATOM 1279 C THR A 86 6.864 -10.953 -3.223 1.00 0.00 C ATOM 1280 O THR A 86 7.541 -11.667 -2.511 1.00 0.00 O ATOM 1281 CB THR A 86 7.507 -8.577 -2.633 1.00 0.00 C ATOM 1282 OG1 THR A 86 8.478 -7.603 -2.990 1.00 0.00 O ATOM 1283 CG2 THR A 86 7.925 -9.255 -1.325 1.00 0.00 C ATOM 0 H THR A 86 5.967 -8.185 -4.423 1.00 0.00 H new ATOM 0 HA THR A 86 8.374 -9.823 -4.200 1.00 0.00 H new ATOM 0 HB THR A 86 6.537 -8.100 -2.493 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.548 -6.935 -2.277 1.00 0.00 H new ATOM 0 HG21 THR A 86 7.998 -8.508 -0.535 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.182 -10.003 -1.049 1.00 0.00 H new ATOM 0 HG23 THR A 86 8.893 -9.738 -1.459 1.00 0.00 H new ATOM 1291 N ALA A 87 5.652 -11.292 -3.572 1.00 0.00 N ATOM 1292 CA ALA A 87 5.066 -12.579 -3.098 1.00 0.00 C ATOM 1293 C ALA A 87 4.400 -13.314 -4.264 1.00 0.00 C ATOM 1294 O ALA A 87 3.499 -14.108 -4.077 1.00 0.00 O ATOM 1295 CB ALA A 87 4.022 -12.180 -2.056 1.00 0.00 C ATOM 0 H ALA A 87 5.041 -10.732 -4.166 1.00 0.00 H new ATOM 0 HA ALA A 87 5.820 -13.249 -2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.544 -13.075 -1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.507 -11.637 -1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.269 -11.543 -2.521 1.00 0.00 H new ATOM 1340 N ALA A 92 2.307 -17.508 0.857 1.00 0.00 N ATOM 1341 CA ALA A 92 2.295 -16.981 2.250 1.00 0.00 C ATOM 1342 C ALA A 92 2.628 -15.495 2.216 1.00 0.00 C ATOM 1343 O ALA A 92 2.018 -14.690 2.891 1.00 0.00 O ATOM 1344 CB ALA A 92 3.382 -17.766 2.988 1.00 0.00 C ATOM 0 HA ALA A 92 1.328 -17.093 2.741 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.432 -17.432 4.024 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.145 -18.829 2.961 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.344 -17.597 2.505 1.00 0.00 H new ATOM 1350 N LYS A 93 3.579 -15.128 1.410 1.00 0.00 N ATOM 1351 CA LYS A 93 3.946 -13.696 1.299 1.00 0.00 C ATOM 1352 C LYS A 93 2.815 -12.948 0.595 1.00 0.00 C ATOM 1353 O LYS A 93 2.667 -11.751 0.727 1.00 0.00 O ATOM 1354 CB LYS A 93 5.212 -13.693 0.451 1.00 0.00 C ATOM 1355 CG LYS A 93 6.434 -13.608 1.364 1.00 0.00 C ATOM 1356 CD LYS A 93 7.705 -13.542 0.514 1.00 0.00 C ATOM 1357 CE LYS A 93 8.882 -14.111 1.309 1.00 0.00 C ATOM 1358 NZ LYS A 93 10.064 -13.943 0.419 1.00 0.00 N ATOM 0 H LYS A 93 4.120 -15.762 0.821 1.00 0.00 H new ATOM 0 HA LYS A 93 4.106 -13.211 2.262 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.259 -14.598 -0.155 1.00 0.00 H new ATOM 0 HB3 LYS A 93 5.200 -12.848 -0.238 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.364 -12.726 2.001 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.469 -14.476 2.023 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.568 -14.107 -0.408 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.911 -12.510 0.228 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.017 -13.578 2.250 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.721 -15.160 1.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.912 -14.311 0.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 9.909 -14.467 -0.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 10.197 -12.934 0.205 1.00 0.00 H new ATOM 1372 N LYS A 94 2.008 -13.655 -0.146 1.00 0.00 N ATOM 1373 CA LYS A 94 0.876 -12.992 -0.851 1.00 0.00 C ATOM 1374 C LYS A 94 -0.234 -12.666 0.151 1.00 0.00 C ATOM 1375 O LYS A 94 -0.948 -11.693 0.009 1.00 0.00 O ATOM 1376 CB LYS A 94 0.392 -14.009 -1.885 1.00 0.00 C ATOM 1377 CG LYS A 94 0.611 -13.447 -3.292 1.00 0.00 C ATOM 1378 CD LYS A 94 0.056 -14.428 -4.327 1.00 0.00 C ATOM 1379 CE LYS A 94 0.910 -14.371 -5.595 1.00 0.00 C ATOM 1380 NZ LYS A 94 -0.060 -14.498 -6.717 1.00 0.00 N ATOM 0 H LYS A 94 2.083 -14.661 -0.294 1.00 0.00 H new ATOM 0 HA LYS A 94 1.170 -12.055 -1.323 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.933 -14.948 -1.768 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.664 -14.228 -1.729 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.116 -12.481 -3.390 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.674 -13.280 -3.467 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.056 -15.440 -3.921 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.979 -14.179 -4.561 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.464 -13.434 -5.656 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.643 -15.177 -5.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.451 -14.467 -7.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.568 -15.402 -6.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.741 -13.713 -6.677 1.00 0.00 H new ATOM 1394 N LYS A 95 -0.376 -13.468 1.172 1.00 0.00 N ATOM 1395 CA LYS A 95 -1.429 -13.200 2.192 1.00 0.00 C ATOM 1396 C LYS A 95 -0.935 -12.135 3.173 1.00 0.00 C ATOM 1397 O LYS A 95 -1.708 -11.475 3.838 1.00 0.00 O ATOM 1398 CB LYS A 95 -1.639 -14.538 2.906 1.00 0.00 C ATOM 1399 CG LYS A 95 -0.391 -14.897 3.714 1.00 0.00 C ATOM 1400 CD LYS A 95 -0.806 -15.363 5.111 1.00 0.00 C ATOM 1401 CE LYS A 95 0.369 -15.191 6.077 1.00 0.00 C ATOM 1402 NZ LYS A 95 0.946 -16.556 6.228 1.00 0.00 N ATOM 0 H LYS A 95 0.192 -14.297 1.343 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.355 -12.829 1.753 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.505 -14.477 3.565 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.849 -15.321 2.177 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.169 -15.683 3.208 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.269 -14.032 3.788 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.663 -14.787 5.458 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.115 -16.408 5.080 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.106 -14.492 5.681 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.037 -14.795 7.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.758 -16.520 6.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.224 -17.198 6.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.260 -16.905 5.300 1.00 0.00 H new ATOM 1416 N GLU A 96 0.353 -11.963 3.254 1.00 0.00 N ATOM 1417 CA GLU A 96 0.925 -10.940 4.176 1.00 0.00 C ATOM 1418 C GLU A 96 1.158 -9.641 3.410 1.00 0.00 C ATOM 1419 O GLU A 96 0.894 -8.557 3.889 1.00 0.00 O ATOM 1420 CB GLU A 96 2.251 -11.540 4.632 1.00 0.00 C ATOM 1421 CG GLU A 96 3.225 -11.599 3.467 1.00 0.00 C ATOM 1422 CD GLU A 96 4.599 -12.037 3.980 1.00 0.00 C ATOM 1423 OE1 GLU A 96 4.691 -13.135 4.506 1.00 0.00 O ATOM 1424 OE2 GLU A 96 5.535 -11.267 3.840 1.00 0.00 O ATOM 0 H GLU A 96 1.041 -12.491 2.717 1.00 0.00 H new ATOM 0 HA GLU A 96 0.272 -10.707 5.017 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.672 -10.940 5.439 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.088 -12.541 5.031 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.866 -12.299 2.712 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.297 -10.623 2.988 1.00 0.00 H new ATOM 1431 N LEU A 97 1.656 -9.761 2.221 1.00 0.00 N ATOM 1432 CA LEU A 97 1.926 -8.559 1.383 1.00 0.00 C ATOM 1433 C LEU A 97 0.633 -8.037 0.756 1.00 0.00 C ATOM 1434 O LEU A 97 0.199 -6.938 1.036 1.00 0.00 O ATOM 1435 CB LEU A 97 2.882 -9.056 0.309 1.00 0.00 C ATOM 1436 CG LEU A 97 4.180 -9.511 0.970 1.00 0.00 C ATOM 1437 CD1 LEU A 97 5.241 -9.708 -0.100 1.00 0.00 C ATOM 1438 CD2 LEU A 97 4.651 -8.445 1.963 1.00 0.00 C ATOM 0 H LEU A 97 1.893 -10.651 1.782 1.00 0.00 H new ATOM 0 HA LEU A 97 2.342 -7.733 1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.432 -9.881 -0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.084 -8.263 -0.411 1.00 0.00 H new ATOM 0 HG LEU A 97 4.012 -10.449 1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.171 -10.033 0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.906 -10.465 -0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.407 -8.767 -0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.578 -8.771 2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.823 -7.507 1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.888 -8.297 2.727 1.00 0.00 H new ATOM 1450 N THR A 98 0.018 -8.805 -0.093 1.00 0.00 N ATOM 1451 CA THR A 98 -1.240 -8.328 -0.738 1.00 0.00 C ATOM 1452 C THR A 98 -2.461 -8.723 0.085 1.00 0.00 C ATOM 1453 O THR A 98 -3.521 -8.145 -0.049 1.00 0.00 O ATOM 1454 CB THR A 98 -1.277 -9.012 -2.099 1.00 0.00 C ATOM 1455 OG1 THR A 98 -1.072 -10.409 -1.931 1.00 0.00 O ATOM 1456 CG2 THR A 98 -0.178 -8.434 -2.985 1.00 0.00 C ATOM 0 H THR A 98 0.326 -9.737 -0.370 1.00 0.00 H new ATOM 0 HA THR A 98 -1.259 -7.241 -0.821 1.00 0.00 H new ATOM 0 HB THR A 98 -2.246 -8.843 -2.568 1.00 0.00 H new ATOM 0 HG1 THR A 98 -1.261 -10.658 -1.002 1.00 0.00 H new ATOM 0 HG21 THR A 98 -0.202 -8.922 -3.960 1.00 0.00 H new ATOM 0 HG22 THR A 98 -0.338 -7.363 -3.111 1.00 0.00 H new ATOM 0 HG23 THR A 98 0.792 -8.604 -2.518 1.00 0.00 H new ATOM 1464 N GLY A 99 -2.330 -9.696 0.935 1.00 0.00 N ATOM 1465 CA GLY A 99 -3.497 -10.102 1.753 1.00 0.00 C ATOM 1466 C GLY A 99 -4.121 -8.856 2.372 1.00 0.00 C ATOM 1467 O GLY A 99 -3.459 -8.070 3.014 1.00 0.00 O ATOM 0 H GLY A 99 -1.473 -10.224 1.098 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.228 -10.623 1.135 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.187 -10.797 2.534 1.00 0.00 H new ATOM 1471 N CYS A 100 -5.387 -8.660 2.183 1.00 0.00 N ATOM 1472 CA CYS A 100 -6.031 -7.459 2.779 1.00 0.00 C ATOM 1473 C CYS A 100 -6.309 -7.713 4.251 1.00 0.00 C ATOM 1474 O CYS A 100 -5.769 -7.065 5.117 1.00 0.00 O ATOM 1475 CB CYS A 100 -7.359 -7.245 2.053 1.00 0.00 C ATOM 1476 SG CYS A 100 -7.374 -8.097 0.448 1.00 0.00 S ATOM 0 H CYS A 100 -6.004 -9.271 1.647 1.00 0.00 H new ATOM 0 HA CYS A 100 -5.384 -6.587 2.682 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -8.178 -7.613 2.671 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -7.527 -6.178 1.903 1.00 0.00 H new ATOM 0 HG CYS A 100 -7.584 -9.367 0.633 1.00 0.00 H new ATOM 1481 N LYS A 101 -7.153 -8.651 4.540 1.00 0.00 N ATOM 1482 CA LYS A 101 -7.468 -8.939 5.964 1.00 0.00 C ATOM 1483 C LYS A 101 -6.657 -10.141 6.457 1.00 0.00 C ATOM 1484 O LYS A 101 -6.855 -11.257 6.019 1.00 0.00 O ATOM 1485 CB LYS A 101 -8.964 -9.251 5.987 1.00 0.00 C ATOM 1486 CG LYS A 101 -9.730 -8.139 5.268 1.00 0.00 C ATOM 1487 CD LYS A 101 -11.190 -8.147 5.726 1.00 0.00 C ATOM 1488 CE LYS A 101 -12.107 -7.944 4.518 1.00 0.00 C ATOM 1489 NZ LYS A 101 -13.382 -7.423 5.087 1.00 0.00 N ATOM 0 H LYS A 101 -7.640 -9.232 3.857 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.218 -8.103 6.617 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.154 -10.209 5.503 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.312 -9.340 7.016 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.276 -7.172 5.483 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.675 -8.284 4.189 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.423 -9.092 6.217 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.356 -7.357 6.459 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.674 -7.239 3.808 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.267 -8.879 3.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.063 -7.258 4.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.774 -8.118 5.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.200 -6.529 5.586 1.00 0.00 H new ATOM 1503 N GLY A 102 -5.749 -9.923 7.368 1.00 0.00 N ATOM 1504 CA GLY A 102 -4.929 -11.054 7.890 1.00 0.00 C ATOM 1505 C GLY A 102 -3.493 -10.931 7.377 1.00 0.00 C ATOM 1506 O GLY A 102 -2.629 -11.708 7.732 1.00 0.00 O ATOM 0 H GLY A 102 -5.539 -9.011 7.774 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.937 -11.049 8.980 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.359 -12.004 7.572 1.00 0.00 H new ATOM 1510 N SER A 103 -3.230 -9.962 6.542 1.00 0.00 N ATOM 1511 CA SER A 103 -1.850 -9.794 6.006 1.00 0.00 C ATOM 1512 C SER A 103 -0.981 -9.021 6.999 1.00 0.00 C ATOM 1513 O SER A 103 -1.213 -9.034 8.191 1.00 0.00 O ATOM 1514 CB SER A 103 -2.024 -8.989 4.723 1.00 0.00 C ATOM 1515 OG SER A 103 -2.615 -7.735 5.038 1.00 0.00 O ATOM 0 H SER A 103 -3.911 -9.280 6.208 1.00 0.00 H new ATOM 0 HA SER A 103 -1.359 -10.751 5.832 1.00 0.00 H new ATOM 0 HB2 SER A 103 -1.059 -8.839 4.239 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.652 -9.535 4.019 1.00 0.00 H new ATOM 0 HG SER A 103 -3.031 -7.358 4.234 1.00 0.00 H new ATOM 1521 N LYS A 104 0.012 -8.336 6.506 1.00 0.00 N ATOM 1522 CA LYS A 104 0.899 -7.543 7.394 1.00 0.00 C ATOM 1523 C LYS A 104 0.501 -6.082 7.299 1.00 0.00 C ATOM 1524 O LYS A 104 0.715 -5.290 8.196 1.00 0.00 O ATOM 1525 CB LYS A 104 2.288 -7.729 6.801 1.00 0.00 C ATOM 1526 CG LYS A 104 2.728 -9.184 6.965 1.00 0.00 C ATOM 1527 CD LYS A 104 3.388 -9.368 8.333 1.00 0.00 C ATOM 1528 CE LYS A 104 4.896 -9.557 8.153 1.00 0.00 C ATOM 1529 NZ LYS A 104 5.031 -10.626 7.124 1.00 0.00 N ATOM 0 H LYS A 104 0.247 -8.293 5.514 1.00 0.00 H new ATOM 0 HA LYS A 104 0.846 -7.848 8.439 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.283 -7.457 5.745 1.00 0.00 H new ATOM 0 HB3 LYS A 104 2.997 -7.066 7.297 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.868 -9.847 6.872 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.426 -9.455 6.173 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.192 -8.500 8.962 1.00 0.00 H new ATOM 0 HD3 LYS A 104 2.961 -10.233 8.841 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.373 -8.633 7.827 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.372 -9.848 9.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.871 -11.203 7.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.184 -11.230 7.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.132 -10.192 6.184 1.00 0.00 H new ATOM 1543 N CYS A 105 -0.061 -5.732 6.185 1.00 0.00 N ATOM 1544 CA CYS A 105 -0.474 -4.333 5.947 1.00 0.00 C ATOM 1545 C CYS A 105 -1.806 -4.033 6.646 1.00 0.00 C ATOM 1546 O CYS A 105 -2.096 -2.904 6.984 1.00 0.00 O ATOM 1547 CB CYS A 105 -0.625 -4.266 4.431 1.00 0.00 C ATOM 1548 SG CYS A 105 0.182 -2.770 3.804 1.00 0.00 S ATOM 0 H CYS A 105 -0.255 -6.371 5.414 1.00 0.00 H new ATOM 0 HA CYS A 105 0.236 -3.603 6.336 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -0.182 -5.150 3.972 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.681 -4.262 4.161 1.00 0.00 H new ATOM 0 HG CYS A 105 -0.714 -1.854 3.583 1.00 0.00 H new ATOM 1553 N HIS A 106 -2.616 -5.033 6.868 1.00 0.00 N ATOM 1554 CA HIS A 106 -3.924 -4.794 7.547 1.00 0.00 C ATOM 1555 C HIS A 106 -4.006 -5.614 8.837 1.00 0.00 C ATOM 1556 O HIS A 106 -4.554 -6.699 8.861 1.00 0.00 O ATOM 1557 CB HIS A 106 -4.980 -5.261 6.546 1.00 0.00 C ATOM 1558 CG HIS A 106 -5.365 -4.116 5.650 1.00 0.00 C ATOM 1559 ND1 HIS A 106 -5.405 -2.811 6.114 1.00 0.00 N ATOM 1560 CD2 HIS A 106 -5.676 -4.050 4.308 1.00 0.00 C ATOM 1561 CE1 HIS A 106 -5.716 -2.018 5.076 1.00 0.00 C ATOM 1562 NE2 HIS A 106 -5.884 -2.714 3.949 1.00 0.00 N ATOM 0 H HIS A 106 -2.430 -6.002 6.610 1.00 0.00 H new ATOM 0 HA HIS A 106 -4.061 -3.749 7.826 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -4.592 -6.087 5.951 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -5.857 -5.634 7.075 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -5.748 -4.896 3.640 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -5.818 -0.945 5.145 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -6.115 -2.350 3.025 1.00 0.00 H new ATOM 1570 N SER A 107 -3.465 -5.105 9.911 1.00 0.00 N ATOM 1571 CA SER A 107 -3.512 -5.857 11.198 1.00 0.00 C ATOM 1572 C SER A 107 -4.835 -5.587 11.920 1.00 0.00 C ATOM 1573 O SER A 107 -4.943 -5.962 13.076 1.00 0.00 O ATOM 1574 CB SER A 107 -2.336 -5.320 12.012 1.00 0.00 C ATOM 1575 OG SER A 107 -1.867 -6.338 12.887 1.00 0.00 O ATOM 1576 OXT SER A 107 -5.716 -5.009 11.304 1.00 0.00 O ATOM 0 H SER A 107 -2.993 -4.202 9.953 1.00 0.00 H new ATOM 0 HA SER A 107 -3.446 -6.935 11.050 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.535 -4.999 11.347 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.644 -4.446 12.585 1.00 0.00 H new ATOM 0 HG SER A 107 -1.111 -5.997 13.410 1.00 0.00 H new