USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 913 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 108 LYS NZ :NH3+ -147:sc= 0 (180deg=0) USER MOD Set 1.2: A 112 GLN : amide:sc= -0.339 X(o=-0.34,f=-0.34) USER MOD Set 2.1: A 23 CYS SG : rot -78:sc= -1.21 USER MOD Set 2.2: A 26 CYS SG : rot -85:sc= 0.0443 USER MOD Set 2.3: A 28 GLN : amide:sc= 0 K(o=-2.5,f=-3.8) USER MOD Set 2.4: A 43 CYS SG : rot -128:sc= -0.219 USER MOD Set 2.5: A 46 CYS SG : rot 144:sc= -1.16 USER MOD Set 3.1: A 35 ASN : amide:sc= -3.52! C(o=-3.3!,f=-10!) USER MOD Set 3.2: A 57 HIS : no HD1:sc= 0.264 K(o=-3.3,f=-12!) USER MOD Set 4.1: A 33 TYR OH : rot -95:sc= 0.276 USER MOD Set 4.2: A 61 SER OG : rot -16:sc= 1.71 USER MOD Set 5.1: A 32 THR OG1 : rot 150:sc= 0.0385 USER MOD Set 5.2: A 44 THR OG1 : rot -34:sc= 0.804 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -137:sc= 0 (180deg=-1.31) USER MOD Single : A 14 MET CE :methyl -123:sc= -1.29 (180deg=-3.18!) USER MOD Single : A 15 THR OG1 : rot -21:sc= 1.03 USER MOD Single : A 19 HIS : no HE2:sc= -9.91! C(o=-9.9!,f=-12!) USER MOD Single : A 20 ASN : amide:sc= -0.134 K(o=-0.13,f=-1.9!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl -126:sc= -0.362 (180deg=-0.989) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -33:sc= 1.17 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.226 X(o=-0.23,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -135:sc= 0.446 (180deg=-0.69!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0642 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.902 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.172 USER MOD Single : A 69 GLN : amide:sc= -0.0325 X(o=-0.033,f=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -1.6 K(o=-1.6,f=-3.1) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HE2:sc= 0.0849 K(o=0.085,f=-0.45) USER MOD Single : A 80 ASN : amide:sc= -2.65 K(o=-2.7,f=-18!) USER MOD Single : A 83 CYS SG : rot -121:sc= -0.9 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0.147 X(o=0.15,f=0) USER MOD Single : A 105 GLN : amide:sc= -0.525 X(o=-0.52,f=-0.52) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.337) USER MOD Single : A 115 TYR OH : rot 85:sc= 0.243 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 3.730 -20.129 5.383 1.00 0.00 N ATOM 60 CA GLY A 7 3.208 -18.906 4.802 1.00 0.00 C ATOM 61 C GLY A 7 2.569 -18.000 5.835 1.00 0.00 C ATOM 62 O GLY A 7 2.984 -16.853 6.007 1.00 0.00 O ATOM 0 HA2 GLY A 7 4.016 -18.370 4.304 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.472 -19.156 4.038 1.00 0.00 H new ATOM 66 N LEU A 8 1.555 -18.512 6.523 1.00 0.00 N ATOM 67 CA LEU A 8 0.855 -17.740 7.544 1.00 0.00 C ATOM 68 C LEU A 8 1.807 -17.325 8.661 1.00 0.00 C ATOM 69 O LEU A 8 1.812 -16.172 9.091 1.00 0.00 O ATOM 70 CB LEU A 8 -0.304 -18.555 8.122 1.00 0.00 C ATOM 71 CG LEU A 8 -1.551 -18.664 7.244 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.451 -19.870 6.322 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.803 -18.752 8.105 1.00 0.00 C ATOM 0 H LEU A 8 1.199 -19.459 6.393 1.00 0.00 H new ATOM 0 HA LEU A 8 0.459 -16.839 7.076 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.056 -19.562 8.334 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.593 -18.113 9.075 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.619 -17.767 6.629 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.347 -19.931 5.705 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.575 -19.766 5.681 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.358 -20.777 6.919 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.681 -18.829 7.464 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.743 -19.632 8.745 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.883 -17.858 8.723 1.00 0.00 H new ATOM 85 N LYS A 9 2.615 -18.273 9.125 1.00 0.00 N ATOM 86 CA LYS A 9 3.575 -18.007 10.190 1.00 0.00 C ATOM 87 C LYS A 9 4.279 -16.672 9.966 1.00 0.00 C ATOM 88 O LYS A 9 4.609 -15.967 10.919 1.00 0.00 O ATOM 89 CB LYS A 9 4.607 -19.133 10.267 1.00 0.00 C ATOM 90 CG LYS A 9 4.200 -20.269 11.190 1.00 0.00 C ATOM 91 CD LYS A 9 5.412 -20.986 11.760 1.00 0.00 C ATOM 92 CE LYS A 9 5.881 -20.343 13.056 1.00 0.00 C ATOM 93 NZ LYS A 9 7.291 -20.703 13.375 1.00 0.00 N ATOM 0 H LYS A 9 2.624 -19.233 8.780 1.00 0.00 H new ATOM 0 HA LYS A 9 3.030 -17.957 11.133 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.773 -19.531 9.266 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.557 -18.721 10.608 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.592 -19.877 12.005 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.580 -20.979 10.643 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.166 -22.032 11.940 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.222 -20.970 11.031 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.792 -19.260 12.977 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.232 -20.658 13.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.573 -20.245 14.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.372 -21.735 13.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.914 -20.380 12.607 1.00 0.00 H new ATOM 107 N MET A 10 4.504 -16.332 8.701 1.00 0.00 N ATOM 108 CA MET A 10 5.167 -15.080 8.353 1.00 0.00 C ATOM 109 C MET A 10 4.272 -13.886 8.668 1.00 0.00 C ATOM 110 O MET A 10 4.744 -12.851 9.141 1.00 0.00 O ATOM 111 CB MET A 10 5.544 -15.073 6.871 1.00 0.00 C ATOM 112 CG MET A 10 6.807 -15.861 6.561 1.00 0.00 C ATOM 113 SD MET A 10 7.293 -15.741 4.829 1.00 0.00 S ATOM 114 CE MET A 10 8.252 -14.229 4.850 1.00 0.00 C ATOM 0 H MET A 10 4.237 -16.905 7.900 1.00 0.00 H new ATOM 0 HA MET A 10 6.075 -14.999 8.951 1.00 0.00 H new ATOM 0 HB2 MET A 10 4.717 -15.485 6.292 1.00 0.00 H new ATOM 0 HB3 MET A 10 5.679 -14.042 6.544 1.00 0.00 H new ATOM 0 HG2 MET A 10 7.621 -15.497 7.189 1.00 0.00 H new ATOM 0 HG3 MET A 10 6.649 -16.908 6.818 1.00 0.00 H new ATOM 0 HE1 MET A 10 7.996 -13.624 3.980 1.00 0.00 H new ATOM 0 HE2 MET A 10 8.030 -13.670 5.759 1.00 0.00 H new ATOM 0 HE3 MET A 10 9.314 -14.472 4.823 1.00 0.00 H new ATOM 124 N LEU A 11 2.979 -14.035 8.403 1.00 0.00 N ATOM 125 CA LEU A 11 2.017 -12.968 8.658 1.00 0.00 C ATOM 126 C LEU A 11 2.151 -12.443 10.084 1.00 0.00 C ATOM 127 O LEU A 11 2.272 -11.238 10.304 1.00 0.00 O ATOM 128 CB LEU A 11 0.593 -13.470 8.419 1.00 0.00 C ATOM 129 CG LEU A 11 -0.456 -12.398 8.123 1.00 0.00 C ATOM 130 CD1 LEU A 11 -0.293 -11.216 9.066 1.00 0.00 C ATOM 131 CD2 LEU A 11 -0.359 -11.942 6.674 1.00 0.00 C ATOM 0 H LEU A 11 2.572 -14.884 8.012 1.00 0.00 H new ATOM 0 HA LEU A 11 2.228 -12.151 7.968 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.612 -14.172 7.585 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.274 -14.029 9.299 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.444 -12.831 8.282 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.048 -10.463 8.840 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.413 -11.553 10.096 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.699 -10.783 8.939 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.113 -11.179 6.481 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.632 -11.528 6.488 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.526 -12.792 6.013 1.00 0.00 H new ATOM 143 N ARG A 12 2.132 -13.357 11.049 1.00 0.00 N ATOM 144 CA ARG A 12 2.252 -12.987 12.454 1.00 0.00 C ATOM 145 C ARG A 12 3.375 -11.974 12.655 1.00 0.00 C ATOM 146 O ARG A 12 3.198 -10.961 13.332 1.00 0.00 O ATOM 147 CB ARG A 12 2.510 -14.228 13.310 1.00 0.00 C ATOM 148 CG ARG A 12 1.906 -14.144 14.702 1.00 0.00 C ATOM 149 CD ARG A 12 0.390 -14.255 14.659 1.00 0.00 C ATOM 150 NE ARG A 12 -0.244 -13.516 15.748 1.00 0.00 N ATOM 151 CZ ARG A 12 -1.507 -13.693 16.118 1.00 0.00 C ATOM 152 NH1 ARG A 12 -2.267 -14.580 15.491 1.00 0.00 N ATOM 153 NH2 ARG A 12 -2.013 -12.983 17.118 1.00 0.00 N ATOM 0 H ARG A 12 2.035 -14.359 10.883 1.00 0.00 H new ATOM 0 HA ARG A 12 1.313 -12.529 12.765 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.105 -15.102 12.800 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.586 -14.381 13.398 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.313 -14.941 15.325 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.190 -13.200 15.167 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.026 -13.877 13.704 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.102 -15.305 14.717 1.00 0.00 H new ATOM 0 HE ARG A 12 0.314 -12.826 16.252 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.882 -15.129 14.722 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.237 -14.714 15.777 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.432 -12.300 17.604 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.983 -13.120 17.401 1.00 0.00 H new ATOM 167 N ASP A 13 4.531 -12.255 12.064 1.00 0.00 N ATOM 168 CA ASP A 13 5.684 -11.369 12.177 1.00 0.00 C ATOM 169 C ASP A 13 5.360 -9.983 11.626 1.00 0.00 C ATOM 170 O ASP A 13 5.847 -8.974 12.134 1.00 0.00 O ATOM 171 CB ASP A 13 6.883 -11.959 11.435 1.00 0.00 C ATOM 172 CG ASP A 13 8.045 -10.989 11.347 1.00 0.00 C ATOM 173 OD1 ASP A 13 8.609 -10.641 12.406 1.00 0.00 O ATOM 174 OD2 ASP A 13 8.391 -10.579 10.220 1.00 0.00 O ATOM 0 H ASP A 13 4.695 -13.090 11.501 1.00 0.00 H new ATOM 0 HA ASP A 13 5.934 -11.271 13.234 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.209 -12.867 11.942 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.578 -12.248 10.429 1.00 0.00 H new ATOM 179 N MET A 14 4.537 -9.944 10.583 1.00 0.00 N ATOM 180 CA MET A 14 4.149 -8.683 9.963 1.00 0.00 C ATOM 181 C MET A 14 3.261 -7.868 10.899 1.00 0.00 C ATOM 182 O MET A 14 3.538 -6.700 11.173 1.00 0.00 O ATOM 183 CB MET A 14 3.418 -8.942 8.644 1.00 0.00 C ATOM 184 CG MET A 14 4.318 -9.485 7.547 1.00 0.00 C ATOM 185 SD MET A 14 3.728 -9.070 5.895 1.00 0.00 S ATOM 186 CE MET A 14 3.210 -10.680 5.306 1.00 0.00 C ATOM 0 H MET A 14 4.126 -10.771 10.150 1.00 0.00 H new ATOM 0 HA MET A 14 5.055 -8.112 9.761 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.607 -9.649 8.820 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.962 -8.013 8.302 1.00 0.00 H new ATOM 0 HG2 MET A 14 5.325 -9.089 7.679 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.387 -10.569 7.642 1.00 0.00 H new ATOM 0 HE1 MET A 14 3.739 -10.917 4.383 1.00 0.00 H new ATOM 0 HE2 MET A 14 3.439 -11.434 6.059 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.137 -10.670 5.117 1.00 0.00 H new ATOM 196 N THR A 15 2.193 -8.491 11.386 1.00 0.00 N ATOM 197 CA THR A 15 1.264 -7.823 12.289 1.00 0.00 C ATOM 198 C THR A 15 1.987 -7.274 13.513 1.00 0.00 C ATOM 199 O THR A 15 1.542 -6.304 14.126 1.00 0.00 O ATOM 200 CB THR A 15 0.147 -8.777 12.752 1.00 0.00 C ATOM 201 OG1 THR A 15 0.714 -9.902 13.433 1.00 0.00 O ATOM 202 CG2 THR A 15 -0.679 -9.258 11.568 1.00 0.00 C ATOM 0 H THR A 15 1.950 -9.458 11.170 1.00 0.00 H new ATOM 0 HA THR A 15 0.820 -6.998 11.732 1.00 0.00 H new ATOM 0 HB THR A 15 -0.506 -8.232 13.433 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.654 -10.001 13.174 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.462 -9.930 11.920 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.133 -8.402 11.069 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.035 -9.787 10.866 1.00 0.00 H new ATOM 210 N GLY A 16 3.106 -7.899 13.865 1.00 0.00 N ATOM 211 CA GLY A 16 3.874 -7.458 15.015 1.00 0.00 C ATOM 212 C GLY A 16 4.583 -6.142 14.767 1.00 0.00 C ATOM 213 O GLY A 16 4.731 -5.326 15.679 1.00 0.00 O ATOM 0 H GLY A 16 3.495 -8.704 13.374 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.210 -7.354 15.873 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.609 -8.221 15.272 1.00 0.00 H new ATOM 217 N LEU A 17 5.026 -5.933 13.532 1.00 0.00 N ATOM 218 CA LEU A 17 5.726 -4.706 13.168 1.00 0.00 C ATOM 219 C LEU A 17 4.988 -3.480 13.695 1.00 0.00 C ATOM 220 O LEU A 17 3.767 -3.482 13.856 1.00 0.00 O ATOM 221 CB LEU A 17 5.874 -4.613 11.648 1.00 0.00 C ATOM 222 CG LEU A 17 6.808 -5.635 11.000 1.00 0.00 C ATOM 223 CD1 LEU A 17 6.615 -5.654 9.492 1.00 0.00 C ATOM 224 CD2 LEU A 17 8.257 -5.331 11.351 1.00 0.00 C ATOM 0 H LEU A 17 4.913 -6.597 12.766 1.00 0.00 H new ATOM 0 HA LEU A 17 6.716 -4.733 13.623 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.886 -4.719 11.200 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.232 -3.614 11.399 1.00 0.00 H new ATOM 0 HG LEU A 17 6.561 -6.623 11.389 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.288 -6.387 9.048 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.584 -5.921 9.260 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.834 -4.667 9.085 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.908 -6.069 10.881 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.517 -4.336 10.991 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.385 -5.371 12.433 1.00 0.00 H new ATOM 236 N PRO A 18 5.744 -2.406 13.969 1.00 0.00 N ATOM 237 CA PRO A 18 5.181 -1.152 14.479 1.00 0.00 C ATOM 238 C PRO A 18 4.349 -0.421 13.431 1.00 0.00 C ATOM 239 O PRO A 18 3.376 0.258 13.760 1.00 0.00 O ATOM 240 CB PRO A 18 6.420 -0.332 14.846 1.00 0.00 C ATOM 241 CG PRO A 18 7.503 -0.870 13.975 1.00 0.00 C ATOM 242 CD PRO A 18 7.205 -2.334 13.801 1.00 0.00 C ATOM 0 HA PRO A 18 4.501 -1.320 15.314 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.259 0.731 14.666 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.669 -0.442 15.901 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.521 -0.358 13.013 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.481 -0.722 14.432 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.515 -2.694 12.820 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.725 -2.941 14.542 1.00 0.00 H new ATOM 250 N HIS A 19 4.737 -0.565 12.168 1.00 0.00 N ATOM 251 CA HIS A 19 4.026 0.081 11.071 1.00 0.00 C ATOM 252 C HIS A 19 2.831 -0.759 10.629 1.00 0.00 C ATOM 253 O HIS A 19 2.154 -0.428 9.656 1.00 0.00 O ATOM 254 CB HIS A 19 4.968 0.312 9.889 1.00 0.00 C ATOM 255 CG HIS A 19 5.736 -0.910 9.489 1.00 0.00 C ATOM 256 ND1 HIS A 19 6.868 -1.337 10.151 1.00 0.00 N ATOM 257 CD2 HIS A 19 5.529 -1.798 8.489 1.00 0.00 C ATOM 258 CE1 HIS A 19 7.325 -2.434 9.574 1.00 0.00 C ATOM 259 NE2 HIS A 19 6.529 -2.736 8.563 1.00 0.00 N ATOM 0 H HIS A 19 5.540 -1.123 11.879 1.00 0.00 H new ATOM 0 HA HIS A 19 3.659 1.044 11.426 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.388 0.662 9.035 1.00 0.00 H new ATOM 0 HB3 HIS A 19 5.670 1.105 10.144 1.00 0.00 H new ATOM 0 HD1 HIS A 19 7.287 -0.878 10.960 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.726 -1.773 7.767 1.00 0.00 H new ATOM 0 HE1 HIS A 19 8.200 -2.990 9.877 1.00 0.00 H new ATOM 267 N ASN A 20 2.580 -1.847 11.350 1.00 0.00 N ATOM 268 CA ASN A 20 1.468 -2.735 11.030 1.00 0.00 C ATOM 269 C ASN A 20 0.642 -3.042 12.276 1.00 0.00 C ATOM 270 O ASN A 20 0.048 -4.115 12.390 1.00 0.00 O ATOM 271 CB ASN A 20 1.988 -4.036 10.415 1.00 0.00 C ATOM 272 CG ASN A 20 2.456 -3.852 8.984 1.00 0.00 C ATOM 273 OD1 ASN A 20 2.094 -2.881 8.321 1.00 0.00 O ATOM 274 ND2 ASN A 20 3.264 -4.789 8.502 1.00 0.00 N ATOM 0 H ASN A 20 3.131 -2.135 12.159 1.00 0.00 H new ATOM 0 HA ASN A 20 0.828 -2.230 10.307 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.813 -4.416 11.018 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.200 -4.788 10.443 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.611 -4.721 7.545 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.538 -5.577 9.089 1.00 0.00 H new ATOM 281 N ARG A 21 0.610 -2.094 13.206 1.00 0.00 N ATOM 282 CA ARG A 21 -0.142 -2.264 14.444 1.00 0.00 C ATOM 283 C ARG A 21 -1.570 -1.747 14.288 1.00 0.00 C ATOM 284 O ARG A 21 -2.503 -2.277 14.890 1.00 0.00 O ATOM 285 CB ARG A 21 0.554 -1.532 15.593 1.00 0.00 C ATOM 286 CG ARG A 21 1.966 -2.024 15.861 1.00 0.00 C ATOM 287 CD ARG A 21 1.966 -3.431 16.440 1.00 0.00 C ATOM 288 NE ARG A 21 1.535 -3.448 17.836 1.00 0.00 N ATOM 289 CZ ARG A 21 2.297 -3.043 18.845 1.00 0.00 C ATOM 290 NH1 ARG A 21 3.523 -2.591 18.616 1.00 0.00 N ATOM 291 NH2 ARG A 21 1.834 -3.089 20.088 1.00 0.00 N ATOM 0 H ARG A 21 1.096 -1.201 13.126 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.182 -3.329 14.672 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.586 -0.466 15.367 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.040 -1.648 16.499 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.539 -2.011 14.934 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.464 -1.345 16.553 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.306 -4.066 15.849 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.968 -3.854 16.365 1.00 0.00 H new ATOM 0 HE ARG A 21 0.597 -3.790 18.047 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.883 -2.554 17.662 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.106 -2.281 19.394 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.892 -3.436 20.269 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.420 -2.778 20.862 1.00 0.00 H new ATOM 305 N LYS A 22 -1.731 -0.707 13.476 1.00 0.00 N ATOM 306 CA LYS A 22 -3.043 -0.117 13.239 1.00 0.00 C ATOM 307 C LYS A 22 -3.399 -0.160 11.757 1.00 0.00 C ATOM 308 O LYS A 22 -2.616 -0.633 10.933 1.00 0.00 O ATOM 309 CB LYS A 22 -3.074 1.328 13.741 1.00 0.00 C ATOM 310 CG LYS A 22 -3.264 1.447 15.243 1.00 0.00 C ATOM 311 CD LYS A 22 -2.907 2.837 15.743 1.00 0.00 C ATOM 312 CE LYS A 22 -2.896 2.897 17.262 1.00 0.00 C ATOM 313 NZ LYS A 22 -4.272 2.846 17.830 1.00 0.00 N ATOM 0 H LYS A 22 -0.968 -0.255 12.971 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.781 -0.701 13.789 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.143 1.821 13.461 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.881 1.861 13.238 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.300 1.223 15.498 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.644 0.707 15.749 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.927 3.122 15.359 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.624 3.560 15.354 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.310 2.065 17.654 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.403 3.814 17.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.221 2.889 18.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.824 3.654 17.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.733 1.959 17.543 1.00 0.00 H new ATOM 327 N CYS A 23 -4.585 0.339 11.423 1.00 0.00 N ATOM 328 CA CYS A 23 -5.045 0.360 10.040 1.00 0.00 C ATOM 329 C CYS A 23 -4.235 1.354 9.212 1.00 0.00 C ATOM 330 O CYS A 23 -3.396 2.082 9.743 1.00 0.00 O ATOM 331 CB CYS A 23 -6.530 0.720 9.980 1.00 0.00 C ATOM 332 SG CYS A 23 -7.414 -0.001 8.559 1.00 0.00 S ATOM 0 H CYS A 23 -5.245 0.735 12.092 1.00 0.00 H new ATOM 0 HA CYS A 23 -4.902 -0.636 9.621 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -7.011 0.387 10.900 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.629 1.805 9.943 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.149 0.687 7.488 1.00 0.00 H new ATOM 337 N PHE A 24 -4.492 1.377 7.909 1.00 0.00 N ATOM 338 CA PHE A 24 -3.787 2.281 7.007 1.00 0.00 C ATOM 339 C PHE A 24 -4.682 3.447 6.597 1.00 0.00 C ATOM 340 O PHE A 24 -4.206 4.451 6.065 1.00 0.00 O ATOM 341 CB PHE A 24 -3.312 1.526 5.763 1.00 0.00 C ATOM 342 CG PHE A 24 -2.492 2.368 4.828 1.00 0.00 C ATOM 343 CD1 PHE A 24 -3.099 3.293 3.994 1.00 0.00 C ATOM 344 CD2 PHE A 24 -1.114 2.233 4.783 1.00 0.00 C ATOM 345 CE1 PHE A 24 -2.347 4.069 3.133 1.00 0.00 C ATOM 346 CE2 PHE A 24 -0.356 3.007 3.924 1.00 0.00 C ATOM 347 CZ PHE A 24 -0.974 3.925 3.097 1.00 0.00 C ATOM 0 H PHE A 24 -5.183 0.781 7.454 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.921 2.679 7.535 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.723 0.664 6.074 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.180 1.142 5.227 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.173 3.409 4.017 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.626 1.515 5.426 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.832 4.787 2.489 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.718 2.894 3.900 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.384 4.529 2.423 1.00 0.00 H new ATOM 357 N ASP A 25 -5.979 3.307 6.848 1.00 0.00 N ATOM 358 CA ASP A 25 -6.940 4.348 6.506 1.00 0.00 C ATOM 359 C ASP A 25 -7.511 4.996 7.764 1.00 0.00 C ATOM 360 O ASP A 25 -7.236 6.160 8.055 1.00 0.00 O ATOM 361 CB ASP A 25 -8.073 3.768 5.658 1.00 0.00 C ATOM 362 CG ASP A 25 -7.597 2.664 4.734 1.00 0.00 C ATOM 363 OD1 ASP A 25 -6.384 2.617 4.440 1.00 0.00 O ATOM 364 OD2 ASP A 25 -8.438 1.846 4.306 1.00 0.00 O ATOM 0 H ASP A 25 -6.389 2.483 7.287 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.419 5.112 5.929 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.851 3.378 6.314 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.524 4.564 5.066 1.00 0.00 H new ATOM 369 N CYS A 26 -8.307 4.234 8.506 1.00 0.00 N ATOM 370 CA CYS A 26 -8.918 4.732 9.732 1.00 0.00 C ATOM 371 C CYS A 26 -7.967 4.580 10.916 1.00 0.00 C ATOM 372 O CYS A 26 -8.329 4.861 12.058 1.00 0.00 O ATOM 373 CB CYS A 26 -10.225 3.988 10.015 1.00 0.00 C ATOM 374 SG CYS A 26 -10.060 2.174 10.023 1.00 0.00 S ATOM 0 H CYS A 26 -8.544 3.268 8.279 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.133 5.792 9.595 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -10.613 4.311 10.981 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.962 4.272 9.264 1.00 0.00 H new ATOM 0 HG CYS A 26 -10.157 1.724 8.807 1.00 0.00 H new ATOM 379 N ASP A 27 -6.748 4.132 10.633 1.00 0.00 N ATOM 380 CA ASP A 27 -5.743 3.943 11.673 1.00 0.00 C ATOM 381 C ASP A 27 -6.328 3.189 12.863 1.00 0.00 C ATOM 382 O ASP A 27 -5.902 3.382 14.001 1.00 0.00 O ATOM 383 CB ASP A 27 -5.191 5.294 12.130 1.00 0.00 C ATOM 384 CG ASP A 27 -4.483 6.038 11.015 1.00 0.00 C ATOM 385 OD1 ASP A 27 -5.106 6.249 9.953 1.00 0.00 O ATOM 386 OD2 ASP A 27 -3.306 6.409 11.204 1.00 0.00 O ATOM 0 H ASP A 27 -6.432 3.893 9.693 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.930 3.350 11.255 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.008 5.907 12.510 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.498 5.139 12.957 1.00 0.00 H new ATOM 391 N GLN A 28 -7.307 2.332 12.592 1.00 0.00 N ATOM 392 CA GLN A 28 -7.951 1.552 13.641 1.00 0.00 C ATOM 393 C GLN A 28 -6.953 0.615 14.313 1.00 0.00 C ATOM 394 O GLN A 28 -5.907 0.296 13.746 1.00 0.00 O ATOM 395 CB GLN A 28 -9.117 0.746 13.064 1.00 0.00 C ATOM 396 CG GLN A 28 -9.918 -0.003 14.116 1.00 0.00 C ATOM 397 CD GLN A 28 -10.989 -0.891 13.512 1.00 0.00 C ATOM 398 OE1 GLN A 28 -11.182 -0.910 12.296 1.00 0.00 O ATOM 399 NE2 GLN A 28 -11.691 -1.632 14.360 1.00 0.00 N ATOM 0 H GLN A 28 -7.671 2.161 11.655 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.333 2.244 14.391 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.782 1.420 12.525 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.730 0.032 12.337 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -9.242 -0.612 14.716 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.384 0.715 14.791 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.497 -1.585 15.360 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.425 -2.249 14.012 1.00 0.00 H new ATOM 408 N ARG A 29 -7.283 0.177 15.524 1.00 0.00 N ATOM 409 CA ARG A 29 -6.414 -0.723 16.273 1.00 0.00 C ATOM 410 C ARG A 29 -6.848 -2.175 16.091 1.00 0.00 C ATOM 411 O ARG A 29 -7.897 -2.586 16.584 1.00 0.00 O ATOM 412 CB ARG A 29 -6.427 -0.358 17.759 1.00 0.00 C ATOM 413 CG ARG A 29 -5.173 -0.788 18.502 1.00 0.00 C ATOM 414 CD ARG A 29 -5.205 -2.271 18.838 1.00 0.00 C ATOM 415 NE ARG A 29 -4.192 -2.630 19.827 1.00 0.00 N ATOM 416 CZ ARG A 29 -4.228 -3.750 20.541 1.00 0.00 C ATOM 417 NH1 ARG A 29 -5.219 -4.614 20.376 1.00 0.00 N ATOM 418 NH2 ARG A 29 -3.269 -4.007 21.422 1.00 0.00 N ATOM 0 H ARG A 29 -8.145 0.431 16.007 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.400 -0.614 15.887 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.546 0.721 17.859 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.295 -0.819 18.230 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.296 -0.571 17.893 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.076 -0.208 19.420 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.192 -2.535 19.218 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.047 -2.852 17.929 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.415 -1.986 19.978 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.957 -4.420 19.699 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.244 -5.473 20.926 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.504 -3.345 21.551 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.297 -4.867 21.970 1.00 0.00 H new ATOM 432 N GLY A 30 -6.032 -2.946 15.379 1.00 0.00 N ATOM 433 CA GLY A 30 -6.348 -4.343 15.144 1.00 0.00 C ATOM 434 C GLY A 30 -6.759 -4.610 13.709 1.00 0.00 C ATOM 435 O GLY A 30 -7.912 -4.931 13.421 1.00 0.00 O ATOM 0 H GLY A 30 -5.158 -2.628 14.961 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.480 -4.955 15.390 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.153 -4.648 15.812 1.00 0.00 H new ATOM 439 N PRO A 31 -5.800 -4.478 12.781 1.00 0.00 N ATOM 440 CA PRO A 31 -6.045 -4.702 11.353 1.00 0.00 C ATOM 441 C PRO A 31 -6.289 -6.172 11.031 1.00 0.00 C ATOM 442 O PRO A 31 -5.472 -7.035 11.356 1.00 0.00 O ATOM 443 CB PRO A 31 -4.752 -4.218 10.691 1.00 0.00 C ATOM 444 CG PRO A 31 -3.710 -4.362 11.746 1.00 0.00 C ATOM 445 CD PRO A 31 -4.404 -4.099 13.053 1.00 0.00 C ATOM 0 HA PRO A 31 -6.938 -4.182 11.006 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.510 -4.815 9.811 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.840 -3.183 10.360 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.274 -5.361 11.730 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.895 -3.656 11.588 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.977 -4.693 13.861 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.322 -3.053 13.348 1.00 0.00 H new ATOM 453 N THR A 32 -7.420 -6.453 10.389 1.00 0.00 N ATOM 454 CA THR A 32 -7.772 -7.819 10.024 1.00 0.00 C ATOM 455 C THR A 32 -7.910 -7.965 8.513 1.00 0.00 C ATOM 456 O THR A 32 -8.535 -8.907 8.025 1.00 0.00 O ATOM 457 CB THR A 32 -9.089 -8.257 10.693 1.00 0.00 C ATOM 458 OG1 THR A 32 -10.181 -7.490 10.174 1.00 0.00 O ATOM 459 CG2 THR A 32 -9.013 -8.084 12.202 1.00 0.00 C ATOM 0 H THR A 32 -8.107 -5.752 10.112 1.00 0.00 H new ATOM 0 HA THR A 32 -6.963 -8.459 10.376 1.00 0.00 H new ATOM 0 HB THR A 32 -9.250 -9.312 10.472 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.000 -8.028 10.199 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.954 -8.400 12.652 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.200 -8.692 12.597 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.831 -7.036 12.439 1.00 0.00 H new ATOM 467 N TYR A 33 -7.322 -7.029 7.777 1.00 0.00 N ATOM 468 CA TYR A 33 -7.380 -7.054 6.320 1.00 0.00 C ATOM 469 C TYR A 33 -6.094 -6.501 5.714 1.00 0.00 C ATOM 470 O TYR A 33 -5.358 -5.756 6.362 1.00 0.00 O ATOM 471 CB TYR A 33 -8.580 -6.246 5.823 1.00 0.00 C ATOM 472 CG TYR A 33 -9.850 -7.058 5.704 1.00 0.00 C ATOM 473 CD1 TYR A 33 -10.641 -7.312 6.818 1.00 0.00 C ATOM 474 CD2 TYR A 33 -10.258 -7.571 4.480 1.00 0.00 C ATOM 475 CE1 TYR A 33 -11.802 -8.054 6.715 1.00 0.00 C ATOM 476 CE2 TYR A 33 -11.418 -8.313 4.367 1.00 0.00 C ATOM 477 CZ TYR A 33 -12.186 -8.552 5.487 1.00 0.00 C ATOM 478 OH TYR A 33 -13.342 -9.292 5.379 1.00 0.00 O ATOM 0 H TYR A 33 -6.800 -6.243 8.165 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.492 -8.091 6.004 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -8.754 -5.413 6.504 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -8.341 -5.817 4.850 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.343 -6.923 7.780 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -9.658 -7.387 3.601 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.405 -8.243 7.591 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.721 -8.704 3.407 1.00 0.00 H new ATOM 0 HH TYR A 33 -13.126 -10.246 5.436 1.00 0.00 H new ATOM 488 N VAL A 34 -5.829 -6.871 4.465 1.00 0.00 N ATOM 489 CA VAL A 34 -4.634 -6.411 3.768 1.00 0.00 C ATOM 490 C VAL A 34 -4.924 -6.144 2.296 1.00 0.00 C ATOM 491 O VAL A 34 -5.637 -6.906 1.645 1.00 0.00 O ATOM 492 CB VAL A 34 -3.491 -7.439 3.877 1.00 0.00 C ATOM 493 CG1 VAL A 34 -2.928 -7.464 5.289 1.00 0.00 C ATOM 494 CG2 VAL A 34 -3.977 -8.820 3.462 1.00 0.00 C ATOM 0 H VAL A 34 -6.426 -7.488 3.915 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.325 -5.482 4.248 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.691 -7.141 3.199 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.122 -8.196 5.346 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.541 -6.477 5.544 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.717 -7.737 5.990 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.158 -9.534 3.545 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.795 -9.129 4.113 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.327 -8.788 2.430 1.00 0.00 H new ATOM 504 N ASN A 35 -4.365 -5.055 1.776 1.00 0.00 N ATOM 505 CA ASN A 35 -4.564 -4.686 0.380 1.00 0.00 C ATOM 506 C ASN A 35 -3.506 -5.333 -0.510 1.00 0.00 C ATOM 507 O ASN A 35 -2.326 -4.992 -0.436 1.00 0.00 O ATOM 508 CB ASN A 35 -4.519 -3.165 0.221 1.00 0.00 C ATOM 509 CG ASN A 35 -5.242 -2.693 -1.026 1.00 0.00 C ATOM 510 OD1 ASN A 35 -5.043 -3.233 -2.114 1.00 0.00 O ATOM 511 ND2 ASN A 35 -6.085 -1.679 -0.873 1.00 0.00 N ATOM 0 H ASN A 35 -3.771 -4.413 2.301 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.545 -5.048 0.071 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.968 -2.697 1.097 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.480 -2.837 0.182 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.599 -1.317 -1.676 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.219 -1.262 0.048 1.00 0.00 H new ATOM 518 N MET A 36 -3.938 -6.267 -1.350 1.00 0.00 N ATOM 519 CA MET A 36 -3.028 -6.960 -2.255 1.00 0.00 C ATOM 520 C MET A 36 -2.502 -6.012 -3.328 1.00 0.00 C ATOM 521 O MET A 36 -1.386 -6.175 -3.822 1.00 0.00 O ATOM 522 CB MET A 36 -3.734 -8.149 -2.910 1.00 0.00 C ATOM 523 CG MET A 36 -3.793 -9.383 -2.025 1.00 0.00 C ATOM 524 SD MET A 36 -2.337 -10.432 -2.197 1.00 0.00 S ATOM 525 CE MET A 36 -1.372 -9.905 -0.783 1.00 0.00 C ATOM 0 H MET A 36 -4.912 -6.562 -1.423 1.00 0.00 H new ATOM 0 HA MET A 36 -2.183 -7.325 -1.672 1.00 0.00 H new ATOM 0 HB2 MET A 36 -4.749 -7.856 -3.178 1.00 0.00 H new ATOM 0 HB3 MET A 36 -3.219 -8.401 -3.837 1.00 0.00 H new ATOM 0 HG2 MET A 36 -3.893 -9.074 -0.984 1.00 0.00 H new ATOM 0 HG3 MET A 36 -4.683 -9.961 -2.273 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.377 -9.607 -1.113 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.864 -9.059 -0.302 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.288 -10.728 -0.073 1.00 0.00 H new ATOM 535 N THR A 37 -3.313 -5.021 -3.685 1.00 0.00 N ATOM 536 CA THR A 37 -2.930 -4.048 -4.701 1.00 0.00 C ATOM 537 C THR A 37 -1.872 -3.087 -4.170 1.00 0.00 C ATOM 538 O THR A 37 -0.759 -3.024 -4.692 1.00 0.00 O ATOM 539 CB THR A 37 -4.145 -3.237 -5.189 1.00 0.00 C ATOM 540 OG1 THR A 37 -4.976 -4.052 -6.022 1.00 0.00 O ATOM 541 CG2 THR A 37 -3.698 -2.004 -5.960 1.00 0.00 C ATOM 0 H THR A 37 -4.239 -4.871 -3.286 1.00 0.00 H new ATOM 0 HA THR A 37 -2.519 -4.611 -5.539 1.00 0.00 H new ATOM 0 HB THR A 37 -4.713 -2.914 -4.316 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.747 -3.529 -6.326 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.573 -1.447 -6.295 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.090 -1.371 -5.313 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.110 -2.309 -6.825 1.00 0.00 H new ATOM 549 N VAL A 38 -2.226 -2.341 -3.128 1.00 0.00 N ATOM 550 CA VAL A 38 -1.305 -1.385 -2.525 1.00 0.00 C ATOM 551 C VAL A 38 -0.231 -2.095 -1.710 1.00 0.00 C ATOM 552 O VAL A 38 0.899 -1.619 -1.604 1.00 0.00 O ATOM 553 CB VAL A 38 -2.048 -0.387 -1.617 1.00 0.00 C ATOM 554 CG1 VAL A 38 -1.126 0.750 -1.206 1.00 0.00 C ATOM 555 CG2 VAL A 38 -3.289 0.148 -2.316 1.00 0.00 C ATOM 0 H VAL A 38 -3.144 -2.380 -2.684 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.834 -0.840 -3.343 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.365 -0.910 -0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.669 1.445 -0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.271 0.347 -0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.776 1.274 -2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.801 0.852 -1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.998 0.655 -3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.958 -0.679 -2.554 1.00 0.00 H new ATOM 565 N GLY A 39 -0.591 -3.238 -1.135 1.00 0.00 N ATOM 566 CA GLY A 39 0.354 -3.997 -0.336 1.00 0.00 C ATOM 567 C GLY A 39 0.438 -3.497 1.093 1.00 0.00 C ATOM 568 O GLY A 39 1.492 -3.574 1.724 1.00 0.00 O ATOM 0 H GLY A 39 -1.520 -3.652 -1.208 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.062 -5.047 -0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.341 -3.942 -0.796 1.00 0.00 H new ATOM 572 N SER A 40 -0.676 -2.982 1.604 1.00 0.00 N ATOM 573 CA SER A 40 -0.723 -2.462 2.966 1.00 0.00 C ATOM 574 C SER A 40 -1.680 -3.280 3.827 1.00 0.00 C ATOM 575 O SER A 40 -2.282 -4.247 3.359 1.00 0.00 O ATOM 576 CB SER A 40 -1.152 -0.994 2.959 1.00 0.00 C ATOM 577 OG SER A 40 -2.560 -0.875 2.853 1.00 0.00 O ATOM 0 H SER A 40 -1.558 -2.914 1.096 1.00 0.00 H new ATOM 0 HA SER A 40 0.277 -2.539 3.393 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.811 -0.508 3.873 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.676 -0.477 2.126 1.00 0.00 H new ATOM 0 HG SER A 40 -2.809 0.073 2.852 1.00 0.00 H new ATOM 583 N PHE A 41 -1.816 -2.885 5.088 1.00 0.00 N ATOM 584 CA PHE A 41 -2.699 -3.581 6.017 1.00 0.00 C ATOM 585 C PHE A 41 -3.908 -2.719 6.367 1.00 0.00 C ATOM 586 O PHE A 41 -3.768 -1.623 6.908 1.00 0.00 O ATOM 587 CB PHE A 41 -1.940 -3.957 7.291 1.00 0.00 C ATOM 588 CG PHE A 41 -1.061 -5.164 7.132 1.00 0.00 C ATOM 589 CD1 PHE A 41 0.009 -5.147 6.251 1.00 0.00 C ATOM 590 CD2 PHE A 41 -1.304 -6.316 7.861 1.00 0.00 C ATOM 591 CE1 PHE A 41 0.821 -6.256 6.102 1.00 0.00 C ATOM 592 CE2 PHE A 41 -0.496 -7.428 7.717 1.00 0.00 C ATOM 593 CZ PHE A 41 0.567 -7.399 6.835 1.00 0.00 C ATOM 0 H PHE A 41 -1.326 -2.086 5.491 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.052 -4.491 5.531 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.328 -3.111 7.603 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.658 -4.143 8.090 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.211 -4.257 5.674 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.135 -6.346 8.550 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.653 -6.229 5.414 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.695 -8.319 8.294 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.198 -8.268 6.719 1.00 0.00 H new ATOM 603 N VAL A 42 -5.098 -3.224 6.053 1.00 0.00 N ATOM 604 CA VAL A 42 -6.332 -2.502 6.334 1.00 0.00 C ATOM 605 C VAL A 42 -7.249 -3.314 7.242 1.00 0.00 C ATOM 606 O VAL A 42 -6.914 -4.427 7.646 1.00 0.00 O ATOM 607 CB VAL A 42 -7.088 -2.155 5.038 1.00 0.00 C ATOM 608 CG1 VAL A 42 -6.323 -1.112 4.237 1.00 0.00 C ATOM 609 CG2 VAL A 42 -7.324 -3.408 4.208 1.00 0.00 C ATOM 0 H VAL A 42 -5.232 -4.130 5.604 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.050 -1.578 6.839 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.058 -1.735 5.305 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.872 -0.879 3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.209 -0.207 4.833 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.339 -1.502 3.978 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.859 -3.145 3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.366 -3.859 3.949 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.916 -4.120 4.784 1.00 0.00 H new ATOM 619 N CYS A 43 -8.410 -2.749 7.560 1.00 0.00 N ATOM 620 CA CYS A 43 -9.377 -3.420 8.420 1.00 0.00 C ATOM 621 C CYS A 43 -10.605 -3.852 7.624 1.00 0.00 C ATOM 622 O CYS A 43 -10.721 -3.562 6.433 1.00 0.00 O ATOM 623 CB CYS A 43 -9.797 -2.497 9.566 1.00 0.00 C ATOM 624 SG CYS A 43 -11.022 -1.234 9.093 1.00 0.00 S ATOM 0 H CYS A 43 -8.703 -1.828 7.235 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.903 -4.310 8.834 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.209 -3.102 10.374 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -8.911 -1.999 9.960 1.00 0.00 H new ATOM 0 HG CYS A 43 -10.600 -0.061 9.462 1.00 0.00 H new ATOM 629 N THR A 44 -11.521 -4.548 8.291 1.00 0.00 N ATOM 630 CA THR A 44 -12.740 -5.021 7.647 1.00 0.00 C ATOM 631 C THR A 44 -13.583 -3.856 7.142 1.00 0.00 C ATOM 632 O THR A 44 -14.051 -3.864 6.003 1.00 0.00 O ATOM 633 CB THR A 44 -13.588 -5.874 8.609 1.00 0.00 C ATOM 634 OG1 THR A 44 -12.745 -6.770 9.342 1.00 0.00 O ATOM 635 CG2 THR A 44 -14.637 -6.668 7.845 1.00 0.00 C ATOM 0 H THR A 44 -11.441 -4.796 9.277 1.00 0.00 H new ATOM 0 HA THR A 44 -12.433 -5.636 6.802 1.00 0.00 H new ATOM 0 HB THR A 44 -14.096 -5.204 9.303 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.996 -7.052 8.776 1.00 0.00 H new ATOM 0 HG21 THR A 44 -15.224 -7.263 8.545 1.00 0.00 H new ATOM 0 HG22 THR A 44 -15.295 -5.982 7.311 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.145 -7.328 7.131 1.00 0.00 H new ATOM 643 N SER A 45 -13.771 -2.854 7.995 1.00 0.00 N ATOM 644 CA SER A 45 -14.561 -1.682 7.635 1.00 0.00 C ATOM 645 C SER A 45 -14.043 -1.053 6.345 1.00 0.00 C ATOM 646 O SER A 45 -14.819 -0.572 5.519 1.00 0.00 O ATOM 647 CB SER A 45 -14.530 -0.653 8.767 1.00 0.00 C ATOM 648 OG SER A 45 -15.571 -0.888 9.699 1.00 0.00 O ATOM 0 H SER A 45 -13.387 -2.830 8.940 1.00 0.00 H new ATOM 0 HA SER A 45 -15.590 -2.003 7.474 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.567 -0.696 9.275 1.00 0.00 H new ATOM 0 HB3 SER A 45 -14.628 0.351 8.353 1.00 0.00 H new ATOM 0 HG SER A 45 -15.528 -0.218 10.413 1.00 0.00 H new ATOM 654 N CYS A 46 -12.724 -1.059 6.180 1.00 0.00 N ATOM 655 CA CYS A 46 -12.099 -0.488 4.993 1.00 0.00 C ATOM 656 C CYS A 46 -12.207 -1.445 3.809 1.00 0.00 C ATOM 657 O CYS A 46 -12.480 -1.028 2.683 1.00 0.00 O ATOM 658 CB CYS A 46 -10.630 -0.166 5.269 1.00 0.00 C ATOM 659 SG CYS A 46 -10.377 1.220 6.425 1.00 0.00 S ATOM 0 H CYS A 46 -12.067 -1.453 6.854 1.00 0.00 H new ATOM 0 HA CYS A 46 -12.625 0.433 4.743 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.144 -1.055 5.672 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.137 0.067 4.325 1.00 0.00 H new ATOM 0 HG CYS A 46 -9.337 0.981 7.168 1.00 0.00 H new ATOM 664 N SER A 47 -11.991 -2.730 4.072 1.00 0.00 N ATOM 665 CA SER A 47 -12.061 -3.746 3.028 1.00 0.00 C ATOM 666 C SER A 47 -13.260 -3.506 2.115 1.00 0.00 C ATOM 667 O SER A 47 -13.234 -3.850 0.935 1.00 0.00 O ATOM 668 CB SER A 47 -12.150 -5.141 3.650 1.00 0.00 C ATOM 669 OG SER A 47 -13.444 -5.386 4.171 1.00 0.00 O ATOM 0 H SER A 47 -11.766 -3.092 4.999 1.00 0.00 H new ATOM 0 HA SER A 47 -11.152 -3.680 2.430 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.909 -5.893 2.899 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.411 -5.236 4.445 1.00 0.00 H new ATOM 0 HG SER A 47 -13.824 -4.549 4.509 1.00 0.00 H new ATOM 675 N GLY A 48 -14.311 -2.913 2.673 1.00 0.00 N ATOM 676 CA GLY A 48 -15.506 -2.637 1.897 1.00 0.00 C ATOM 677 C GLY A 48 -15.418 -1.324 1.145 1.00 0.00 C ATOM 678 O GLY A 48 -15.828 -1.234 -0.012 1.00 0.00 O ATOM 0 H GLY A 48 -14.356 -2.619 3.649 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.670 -3.448 1.188 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -16.370 -2.615 2.561 1.00 0.00 H new ATOM 682 N SER A 49 -14.883 -0.301 1.805 1.00 0.00 N ATOM 683 CA SER A 49 -14.748 1.016 1.193 1.00 0.00 C ATOM 684 C SER A 49 -13.778 0.972 0.017 1.00 0.00 C ATOM 685 O SER A 49 -14.095 1.431 -1.082 1.00 0.00 O ATOM 686 CB SER A 49 -14.267 2.035 2.228 1.00 0.00 C ATOM 687 OG SER A 49 -15.060 1.985 3.401 1.00 0.00 O ATOM 0 H SER A 49 -14.536 -0.359 2.763 1.00 0.00 H new ATOM 0 HA SER A 49 -15.727 1.319 0.822 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.225 1.837 2.481 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.306 3.037 1.801 1.00 0.00 H new ATOM 0 HG SER A 49 -14.731 2.644 4.047 1.00 0.00 H new ATOM 693 N LEU A 50 -12.595 0.417 0.254 1.00 0.00 N ATOM 694 CA LEU A 50 -11.577 0.312 -0.785 1.00 0.00 C ATOM 695 C LEU A 50 -12.187 -0.164 -2.099 1.00 0.00 C ATOM 696 O LEU A 50 -11.930 0.409 -3.158 1.00 0.00 O ATOM 697 CB LEU A 50 -10.469 -0.647 -0.346 1.00 0.00 C ATOM 698 CG LEU A 50 -9.384 -0.053 0.553 1.00 0.00 C ATOM 699 CD1 LEU A 50 -8.431 -1.139 1.028 1.00 0.00 C ATOM 700 CD2 LEU A 50 -8.624 1.043 -0.180 1.00 0.00 C ATOM 0 H LEU A 50 -12.317 0.033 1.157 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.150 1.302 -0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.928 -1.485 0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.992 -1.052 -1.238 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.864 0.388 1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.666 -0.698 1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.986 -1.889 1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.958 -1.610 0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.856 1.454 0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.155 0.627 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.316 1.834 -0.469 1.00 0.00 H new ATOM 712 N ARG A 51 -12.997 -1.215 -2.022 1.00 0.00 N ATOM 713 CA ARG A 51 -13.645 -1.768 -3.206 1.00 0.00 C ATOM 714 C ARG A 51 -14.436 -0.693 -3.945 1.00 0.00 C ATOM 715 O ARG A 51 -14.349 -0.573 -5.166 1.00 0.00 O ATOM 716 CB ARG A 51 -14.571 -2.921 -2.814 1.00 0.00 C ATOM 717 CG ARG A 51 -13.832 -4.174 -2.374 1.00 0.00 C ATOM 718 CD ARG A 51 -14.796 -5.258 -1.917 1.00 0.00 C ATOM 719 NE ARG A 51 -15.955 -4.702 -1.224 1.00 0.00 N ATOM 720 CZ ARG A 51 -17.043 -4.264 -1.847 1.00 0.00 C ATOM 721 NH1 ARG A 51 -17.120 -4.316 -3.170 1.00 0.00 N ATOM 722 NH2 ARG A 51 -18.058 -3.772 -1.147 1.00 0.00 N ATOM 0 H ARG A 51 -13.220 -1.700 -1.153 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.869 -2.145 -3.872 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -15.224 -2.592 -2.006 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -15.211 -3.166 -3.662 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.226 -4.549 -3.199 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -13.148 -3.928 -1.562 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -15.131 -5.833 -2.780 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -14.276 -5.951 -1.255 1.00 0.00 H new ATOM 0 HE ARG A 51 -15.927 -4.647 -0.206 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -16.342 -4.693 -3.712 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -17.957 -3.979 -3.646 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -18.003 -3.730 -0.129 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -18.893 -3.436 -1.627 1.00 0.00 H new ATOM 736 N GLY A 52 -15.210 0.086 -3.194 1.00 0.00 N ATOM 737 CA GLY A 52 -16.006 1.140 -3.795 1.00 0.00 C ATOM 738 C GLY A 52 -15.212 1.979 -4.776 1.00 0.00 C ATOM 739 O GLY A 52 -15.762 2.498 -5.748 1.00 0.00 O ATOM 0 H GLY A 52 -15.300 0.006 -2.181 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -16.860 0.698 -4.308 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -16.403 1.783 -3.010 1.00 0.00 H new ATOM 743 N LEU A 53 -13.915 2.115 -4.521 1.00 0.00 N ATOM 744 CA LEU A 53 -13.044 2.899 -5.389 1.00 0.00 C ATOM 745 C LEU A 53 -13.014 2.319 -6.799 1.00 0.00 C ATOM 746 O LEU A 53 -13.473 1.202 -7.031 1.00 0.00 O ATOM 747 CB LEU A 53 -11.627 2.945 -4.814 1.00 0.00 C ATOM 748 CG LEU A 53 -11.485 3.573 -3.427 1.00 0.00 C ATOM 749 CD1 LEU A 53 -10.098 3.309 -2.861 1.00 0.00 C ATOM 750 CD2 LEU A 53 -11.762 5.068 -3.488 1.00 0.00 C ATOM 0 H LEU A 53 -13.444 1.693 -3.721 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.442 3.912 -5.442 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.241 1.927 -4.771 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.993 3.497 -5.507 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.219 3.114 -2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.015 3.763 -1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.936 2.234 -2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.347 3.740 -3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.656 5.499 -2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.052 5.542 -4.166 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.776 5.236 -3.850 1.00 0.00 H new ATOM 762 N ASN A 54 -12.469 3.086 -7.738 1.00 0.00 N ATOM 763 CA ASN A 54 -12.378 2.648 -9.126 1.00 0.00 C ATOM 764 C ASN A 54 -11.021 3.008 -9.722 1.00 0.00 C ATOM 765 O ASN A 54 -10.635 4.176 -9.790 1.00 0.00 O ATOM 766 CB ASN A 54 -13.497 3.280 -9.957 1.00 0.00 C ATOM 767 CG ASN A 54 -13.768 2.515 -11.238 1.00 0.00 C ATOM 768 OD1 ASN A 54 -14.766 1.803 -11.349 1.00 0.00 O ATOM 769 ND2 ASN A 54 -12.877 2.658 -12.212 1.00 0.00 N ATOM 0 H ASN A 54 -12.084 4.014 -7.563 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.488 1.564 -9.147 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.409 3.321 -9.362 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.229 4.308 -10.201 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.005 2.167 -13.097 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.064 3.259 -12.076 1.00 0.00 H new ATOM 776 N PRO A 55 -10.278 1.983 -10.166 1.00 0.00 N ATOM 777 CA PRO A 55 -10.727 0.590 -10.090 1.00 0.00 C ATOM 778 C PRO A 55 -10.764 0.070 -8.657 1.00 0.00 C ATOM 779 O PRO A 55 -10.101 0.596 -7.763 1.00 0.00 O ATOM 780 CB PRO A 55 -9.675 -0.166 -10.906 1.00 0.00 C ATOM 781 CG PRO A 55 -8.454 0.685 -10.832 1.00 0.00 C ATOM 782 CD PRO A 55 -8.943 2.106 -10.776 1.00 0.00 C ATOM 0 HA PRO A 55 -11.744 0.469 -10.462 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.492 -1.158 -10.493 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.999 -0.305 -11.937 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.861 0.441 -9.950 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.814 0.526 -11.700 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.284 2.735 -10.177 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.994 2.553 -11.769 1.00 0.00 H new ATOM 790 N PRO A 56 -11.557 -0.988 -8.431 1.00 0.00 N ATOM 791 CA PRO A 56 -11.699 -1.602 -7.107 1.00 0.00 C ATOM 792 C PRO A 56 -10.434 -2.333 -6.669 1.00 0.00 C ATOM 793 O PRO A 56 -9.985 -3.269 -7.331 1.00 0.00 O ATOM 794 CB PRO A 56 -12.850 -2.593 -7.297 1.00 0.00 C ATOM 795 CG PRO A 56 -12.835 -2.916 -8.752 1.00 0.00 C ATOM 796 CD PRO A 56 -12.376 -1.665 -9.449 1.00 0.00 C ATOM 0 HA PRO A 56 -11.882 -0.859 -6.331 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.706 -3.488 -6.691 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.803 -2.156 -6.998 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.162 -3.748 -8.960 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.826 -3.213 -9.096 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.797 -1.893 -10.344 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.218 -1.048 -9.763 1.00 0.00 H new ATOM 804 N HIS A 57 -9.864 -1.900 -5.549 1.00 0.00 N ATOM 805 CA HIS A 57 -8.650 -2.514 -5.022 1.00 0.00 C ATOM 806 C HIS A 57 -8.887 -3.984 -4.689 1.00 0.00 C ATOM 807 O HIS A 57 -9.962 -4.525 -4.949 1.00 0.00 O ATOM 808 CB HIS A 57 -8.175 -1.767 -3.776 1.00 0.00 C ATOM 809 CG HIS A 57 -7.593 -0.419 -4.072 1.00 0.00 C ATOM 810 ND1 HIS A 57 -6.682 0.205 -3.247 1.00 0.00 N ATOM 811 CD2 HIS A 57 -7.797 0.425 -5.111 1.00 0.00 C ATOM 812 CE1 HIS A 57 -6.351 1.375 -3.764 1.00 0.00 C ATOM 813 NE2 HIS A 57 -7.014 1.532 -4.896 1.00 0.00 N ATOM 0 H HIS A 57 -10.223 -1.127 -4.989 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.878 -2.453 -5.789 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.015 -1.649 -3.091 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.427 -2.372 -3.263 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.453 0.258 -5.952 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.657 2.082 -3.335 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -6.954 2.344 -5.510 1.00 0.00 H new ATOM 821 N ARG A 58 -7.875 -4.626 -4.113 1.00 0.00 N ATOM 822 CA ARG A 58 -7.972 -6.033 -3.746 1.00 0.00 C ATOM 823 C ARG A 58 -7.626 -6.237 -2.274 1.00 0.00 C ATOM 824 O ARG A 58 -6.534 -5.884 -1.828 1.00 0.00 O ATOM 825 CB ARG A 58 -7.043 -6.876 -4.621 1.00 0.00 C ATOM 826 CG ARG A 58 -7.665 -7.296 -5.942 1.00 0.00 C ATOM 827 CD ARG A 58 -6.639 -7.936 -6.863 1.00 0.00 C ATOM 828 NE ARG A 58 -7.099 -7.982 -8.249 1.00 0.00 N ATOM 829 CZ ARG A 58 -6.297 -8.210 -9.283 1.00 0.00 C ATOM 830 NH1 ARG A 58 -5.001 -8.413 -9.089 1.00 0.00 N ATOM 831 NH2 ARG A 58 -6.791 -8.237 -10.514 1.00 0.00 N ATOM 0 H ARG A 58 -6.979 -4.193 -3.891 1.00 0.00 H new ATOM 0 HA ARG A 58 -9.001 -6.354 -3.907 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.134 -6.310 -4.821 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.748 -7.768 -4.068 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.477 -7.999 -5.756 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -8.103 -6.426 -6.432 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.705 -7.376 -6.810 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.424 -8.948 -6.519 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.091 -7.831 -8.433 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.618 -8.394 -8.144 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.387 -8.588 -9.885 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.788 -8.083 -10.667 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.174 -8.412 -11.307 1.00 0.00 H new ATOM 845 N VAL A 59 -8.563 -6.807 -1.523 1.00 0.00 N ATOM 846 CA VAL A 59 -8.357 -7.058 -0.102 1.00 0.00 C ATOM 847 C VAL A 59 -8.621 -8.520 0.242 1.00 0.00 C ATOM 848 O VAL A 59 -9.399 -9.197 -0.430 1.00 0.00 O ATOM 849 CB VAL A 59 -9.267 -6.166 0.763 1.00 0.00 C ATOM 850 CG1 VAL A 59 -8.600 -4.826 1.034 1.00 0.00 C ATOM 851 CG2 VAL A 59 -10.618 -5.973 0.091 1.00 0.00 C ATOM 0 H VAL A 59 -9.473 -7.104 -1.876 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.316 -6.819 0.114 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.431 -6.663 1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.258 -4.209 1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.660 -4.988 1.561 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.404 -4.319 0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.248 -5.340 0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.477 -5.498 -0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.098 -6.942 -0.045 1.00 0.00 H new ATOM 861 N LYS A 60 -7.967 -9.002 1.294 1.00 0.00 N ATOM 862 CA LYS A 60 -8.131 -10.383 1.730 1.00 0.00 C ATOM 863 C LYS A 60 -7.920 -10.507 3.235 1.00 0.00 C ATOM 864 O LYS A 60 -6.842 -10.205 3.747 1.00 0.00 O ATOM 865 CB LYS A 60 -7.149 -11.293 0.989 1.00 0.00 C ATOM 866 CG LYS A 60 -7.680 -11.811 -0.336 1.00 0.00 C ATOM 867 CD LYS A 60 -6.601 -12.534 -1.125 1.00 0.00 C ATOM 868 CE LYS A 60 -6.418 -13.963 -0.638 1.00 0.00 C ATOM 869 NZ LYS A 60 -5.495 -14.735 -1.516 1.00 0.00 N ATOM 0 H LYS A 60 -7.318 -8.456 1.860 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.150 -10.693 1.498 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.223 -10.746 0.811 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.900 -12.141 1.627 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.515 -12.488 -0.155 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.066 -10.979 -0.924 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.864 -12.540 -2.183 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.659 -11.994 -1.034 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.027 -13.953 0.380 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.387 -14.461 -0.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.900 -15.674 -1.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.364 -14.227 -2.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.576 -14.844 -1.042 1.00 0.00 H new ATOM 883 N SER A 61 -8.955 -10.955 3.939 1.00 0.00 N ATOM 884 CA SER A 61 -8.883 -11.117 5.386 1.00 0.00 C ATOM 885 C SER A 61 -7.574 -11.787 5.793 1.00 0.00 C ATOM 886 O SER A 61 -6.998 -12.562 5.030 1.00 0.00 O ATOM 887 CB SER A 61 -10.069 -11.942 5.888 1.00 0.00 C ATOM 888 OG SER A 61 -11.292 -11.255 5.684 1.00 0.00 O ATOM 0 H SER A 61 -9.853 -11.212 3.530 1.00 0.00 H new ATOM 0 HA SER A 61 -8.921 -10.127 5.840 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.095 -12.900 5.368 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.942 -12.158 6.949 1.00 0.00 H new ATOM 0 HG SER A 61 -11.109 -10.310 5.498 1.00 0.00 H new ATOM 894 N ILE A 62 -7.111 -11.481 7.001 1.00 0.00 N ATOM 895 CA ILE A 62 -5.872 -12.054 7.511 1.00 0.00 C ATOM 896 C ILE A 62 -6.123 -13.400 8.183 1.00 0.00 C ATOM 897 O ILE A 62 -5.328 -14.330 8.051 1.00 0.00 O ATOM 898 CB ILE A 62 -5.187 -11.110 8.517 1.00 0.00 C ATOM 899 CG1 ILE A 62 -4.838 -9.780 7.845 1.00 0.00 C ATOM 900 CG2 ILE A 62 -3.939 -11.763 9.091 1.00 0.00 C ATOM 901 CD1 ILE A 62 -4.278 -8.750 8.801 1.00 0.00 C ATOM 0 H ILE A 62 -7.575 -10.840 7.644 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.215 -12.197 6.653 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.879 -10.912 9.336 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.112 -9.962 7.053 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.732 -9.376 7.371 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.466 -11.084 9.800 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.213 -12.686 9.601 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.242 -11.988 8.284 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.053 -7.833 8.257 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.011 -8.540 9.580 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.365 -9.135 9.257 1.00 0.00 H new ATOM 913 N SER A 63 -7.236 -13.496 8.904 1.00 0.00 N ATOM 914 CA SER A 63 -7.593 -14.727 9.599 1.00 0.00 C ATOM 915 C SER A 63 -8.653 -15.502 8.823 1.00 0.00 C ATOM 916 O SER A 63 -8.511 -16.700 8.583 1.00 0.00 O ATOM 917 CB SER A 63 -8.102 -14.413 11.007 1.00 0.00 C ATOM 918 OG SER A 63 -8.369 -15.603 11.729 1.00 0.00 O ATOM 0 H SER A 63 -7.906 -12.736 9.022 1.00 0.00 H new ATOM 0 HA SER A 63 -6.699 -15.346 9.673 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.361 -13.818 11.541 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.008 -13.811 10.944 1.00 0.00 H new ATOM 0 HG SER A 63 -8.692 -15.376 12.626 1.00 0.00 H new ATOM 924 N MET A 64 -9.717 -14.807 8.433 1.00 0.00 N ATOM 925 CA MET A 64 -10.802 -15.429 7.683 1.00 0.00 C ATOM 926 C MET A 64 -10.288 -16.023 6.375 1.00 0.00 C ATOM 927 O MET A 64 -10.781 -17.053 5.912 1.00 0.00 O ATOM 928 CB MET A 64 -11.903 -14.406 7.394 1.00 0.00 C ATOM 929 CG MET A 64 -13.253 -15.036 7.089 1.00 0.00 C ATOM 930 SD MET A 64 -14.521 -13.811 6.714 1.00 0.00 S ATOM 931 CE MET A 64 -15.976 -14.616 7.380 1.00 0.00 C ATOM 0 H MET A 64 -9.851 -13.814 8.624 1.00 0.00 H new ATOM 0 HA MET A 64 -11.215 -16.235 8.290 1.00 0.00 H new ATOM 0 HB2 MET A 64 -12.006 -13.743 8.253 1.00 0.00 H new ATOM 0 HB3 MET A 64 -11.600 -13.788 6.549 1.00 0.00 H new ATOM 0 HG2 MET A 64 -13.149 -15.717 6.244 1.00 0.00 H new ATOM 0 HG3 MET A 64 -13.572 -15.634 7.943 1.00 0.00 H new ATOM 0 HE1 MET A 64 -16.847 -13.980 7.224 1.00 0.00 H new ATOM 0 HE2 MET A 64 -16.128 -15.570 6.874 1.00 0.00 H new ATOM 0 HE3 MET A 64 -15.839 -14.789 8.447 1.00 0.00 H new ATOM 941 N THR A 65 -9.295 -15.368 5.782 1.00 0.00 N ATOM 942 CA THR A 65 -8.716 -15.830 4.527 1.00 0.00 C ATOM 943 C THR A 65 -7.251 -16.214 4.706 1.00 0.00 C ATOM 944 O THR A 65 -6.513 -15.562 5.446 1.00 0.00 O ATOM 945 CB THR A 65 -8.822 -14.755 3.429 1.00 0.00 C ATOM 946 OG1 THR A 65 -10.177 -14.306 3.314 1.00 0.00 O ATOM 947 CG2 THR A 65 -8.347 -15.300 2.091 1.00 0.00 C ATOM 0 H THR A 65 -8.875 -14.515 6.151 1.00 0.00 H new ATOM 0 HA THR A 65 -9.285 -16.708 4.221 1.00 0.00 H new ATOM 0 HB THR A 65 -8.184 -13.916 3.708 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.237 -13.621 2.615 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.431 -14.523 1.331 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.307 -15.614 2.175 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.962 -16.154 1.807 1.00 0.00 H new ATOM 955 N THR A 66 -6.835 -17.276 4.024 1.00 0.00 N ATOM 956 CA THR A 66 -5.458 -17.747 4.108 1.00 0.00 C ATOM 957 C THR A 66 -4.576 -17.055 3.076 1.00 0.00 C ATOM 958 O THR A 66 -5.070 -16.350 2.195 1.00 0.00 O ATOM 959 CB THR A 66 -5.372 -19.271 3.900 1.00 0.00 C ATOM 960 OG1 THR A 66 -4.048 -19.731 4.193 1.00 0.00 O ATOM 961 CG2 THR A 66 -5.740 -19.644 2.472 1.00 0.00 C ATOM 0 H THR A 66 -7.432 -17.827 3.407 1.00 0.00 H new ATOM 0 HA THR A 66 -5.101 -17.503 5.109 1.00 0.00 H new ATOM 0 HB THR A 66 -6.080 -19.749 4.577 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.002 -20.701 4.060 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.672 -20.725 2.349 1.00 0.00 H new ATOM 0 HG22 THR A 66 -6.759 -19.318 2.262 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.053 -19.156 1.780 1.00 0.00 H new ATOM 969 N PHE A 67 -3.268 -17.259 3.190 1.00 0.00 N ATOM 970 CA PHE A 67 -2.316 -16.653 2.265 1.00 0.00 C ATOM 971 C PHE A 67 -1.275 -17.673 1.811 1.00 0.00 C ATOM 972 O PHE A 67 -1.201 -18.781 2.342 1.00 0.00 O ATOM 973 CB PHE A 67 -1.623 -15.459 2.924 1.00 0.00 C ATOM 974 CG PHE A 67 -2.525 -14.273 3.114 1.00 0.00 C ATOM 975 CD1 PHE A 67 -3.269 -13.775 2.056 1.00 0.00 C ATOM 976 CD2 PHE A 67 -2.629 -13.655 4.350 1.00 0.00 C ATOM 977 CE1 PHE A 67 -4.099 -12.683 2.228 1.00 0.00 C ATOM 978 CE2 PHE A 67 -3.457 -12.563 4.528 1.00 0.00 C ATOM 979 CZ PHE A 67 -4.194 -12.077 3.465 1.00 0.00 C ATOM 0 H PHE A 67 -2.843 -17.839 3.913 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.866 -16.307 1.390 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.231 -15.766 3.893 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.769 -15.162 2.314 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.200 -14.245 1.086 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.056 -14.031 5.184 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.673 -12.304 1.395 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.528 -12.090 5.496 1.00 0.00 H new ATOM 0 HZ PHE A 67 -4.843 -11.225 3.601 1.00 0.00 H new ATOM 989 N THR A 68 -0.472 -17.289 0.823 1.00 0.00 N ATOM 990 CA THR A 68 0.563 -18.168 0.295 1.00 0.00 C ATOM 991 C THR A 68 1.931 -17.498 0.344 1.00 0.00 C ATOM 992 O THR A 68 2.030 -16.272 0.399 1.00 0.00 O ATOM 993 CB THR A 68 0.260 -18.585 -1.156 1.00 0.00 C ATOM 994 OG1 THR A 68 1.365 -19.318 -1.696 1.00 0.00 O ATOM 995 CG2 THR A 68 -0.019 -17.366 -2.022 1.00 0.00 C ATOM 0 H THR A 68 -0.519 -16.375 0.373 1.00 0.00 H new ATOM 0 HA THR A 68 0.574 -19.057 0.926 1.00 0.00 H new ATOM 0 HB THR A 68 -0.627 -19.218 -1.151 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.164 -19.581 -2.618 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.230 -17.685 -3.043 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.879 -16.827 -1.625 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.852 -16.711 -2.020 1.00 0.00 H new ATOM 1003 N GLN A 69 2.984 -18.309 0.324 1.00 0.00 N ATOM 1004 CA GLN A 69 4.347 -17.793 0.366 1.00 0.00 C ATOM 1005 C GLN A 69 4.509 -16.606 -0.578 1.00 0.00 C ATOM 1006 O GLN A 69 5.119 -15.598 -0.224 1.00 0.00 O ATOM 1007 CB GLN A 69 5.343 -18.893 -0.003 1.00 0.00 C ATOM 1008 CG GLN A 69 6.790 -18.426 -0.010 1.00 0.00 C ATOM 1009 CD GLN A 69 7.459 -18.582 1.342 1.00 0.00 C ATOM 1010 OE1 GLN A 69 7.985 -19.646 1.668 1.00 0.00 O ATOM 1011 NE2 GLN A 69 7.444 -17.517 2.136 1.00 0.00 N ATOM 0 H GLN A 69 2.919 -19.326 0.279 1.00 0.00 H new ATOM 0 HA GLN A 69 4.550 -17.456 1.382 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.239 -19.717 0.703 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.091 -19.284 -0.989 1.00 0.00 H new ATOM 0 HG2 GLN A 69 7.348 -18.994 -0.755 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.829 -17.379 -0.312 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.996 -16.655 1.825 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.880 -17.561 3.057 1.00 0.00 H new ATOM 1020 N GLN A 70 3.958 -16.734 -1.781 1.00 0.00 N ATOM 1021 CA GLN A 70 4.043 -15.672 -2.777 1.00 0.00 C ATOM 1022 C GLN A 70 3.457 -14.371 -2.236 1.00 0.00 C ATOM 1023 O GLN A 70 4.165 -13.375 -2.089 1.00 0.00 O ATOM 1024 CB GLN A 70 3.310 -16.082 -4.055 1.00 0.00 C ATOM 1025 CG GLN A 70 3.862 -17.347 -4.693 1.00 0.00 C ATOM 1026 CD GLN A 70 5.208 -17.126 -5.356 1.00 0.00 C ATOM 1027 OE1 GLN A 70 5.285 -16.632 -6.482 1.00 0.00 O ATOM 1028 NE2 GLN A 70 6.278 -17.491 -4.660 1.00 0.00 N ATOM 0 H GLN A 70 3.448 -17.562 -2.089 1.00 0.00 H new ATOM 0 HA GLN A 70 5.096 -15.508 -3.007 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.255 -16.231 -3.827 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.369 -15.266 -4.775 1.00 0.00 H new ATOM 0 HG2 GLN A 70 3.959 -18.121 -3.932 1.00 0.00 H new ATOM 0 HG3 GLN A 70 3.152 -17.715 -5.434 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.168 -17.896 -3.730 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.210 -17.366 -5.055 1.00 0.00 H new ATOM 1037 N GLU A 71 2.161 -14.389 -1.942 1.00 0.00 N ATOM 1038 CA GLU A 71 1.481 -13.210 -1.419 1.00 0.00 C ATOM 1039 C GLU A 71 2.245 -12.621 -0.237 1.00 0.00 C ATOM 1040 O GLU A 71 2.521 -11.421 -0.199 1.00 0.00 O ATOM 1041 CB GLU A 71 0.054 -13.563 -0.994 1.00 0.00 C ATOM 1042 CG GLU A 71 -0.861 -13.905 -2.157 1.00 0.00 C ATOM 1043 CD GLU A 71 -2.305 -14.082 -1.731 1.00 0.00 C ATOM 1044 OE1 GLU A 71 -2.970 -13.064 -1.449 1.00 0.00 O ATOM 1045 OE2 GLU A 71 -2.771 -15.240 -1.680 1.00 0.00 O ATOM 0 H GLU A 71 1.561 -15.206 -2.057 1.00 0.00 H new ATOM 0 HA GLU A 71 1.441 -12.463 -2.212 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.087 -14.409 -0.308 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.370 -12.723 -0.444 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.801 -13.115 -2.906 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.511 -14.822 -2.632 1.00 0.00 H new ATOM 1052 N ILE A 72 2.582 -13.473 0.725 1.00 0.00 N ATOM 1053 CA ILE A 72 3.314 -13.037 1.908 1.00 0.00 C ATOM 1054 C ILE A 72 4.528 -12.197 1.525 1.00 0.00 C ATOM 1055 O ILE A 72 4.645 -11.040 1.926 1.00 0.00 O ATOM 1056 CB ILE A 72 3.781 -14.236 2.754 1.00 0.00 C ATOM 1057 CG1 ILE A 72 2.574 -15.006 3.296 1.00 0.00 C ATOM 1058 CG2 ILE A 72 4.671 -13.766 3.894 1.00 0.00 C ATOM 1059 CD1 ILE A 72 1.718 -14.197 4.244 1.00 0.00 C ATOM 0 H ILE A 72 2.360 -14.468 0.709 1.00 0.00 H new ATOM 0 HA ILE A 72 2.627 -12.431 2.498 1.00 0.00 H new ATOM 0 HB ILE A 72 4.361 -14.906 2.119 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.960 -15.339 2.459 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.925 -15.901 3.810 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.993 -14.625 4.482 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.545 -13.257 3.487 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.114 -13.078 4.531 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.882 -14.805 4.588 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.317 -13.886 5.100 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.337 -13.316 3.728 1.00 0.00 H new ATOM 1071 N GLU A 73 5.428 -12.788 0.745 1.00 0.00 N ATOM 1072 CA GLU A 73 6.632 -12.093 0.307 1.00 0.00 C ATOM 1073 C GLU A 73 6.289 -10.728 -0.283 1.00 0.00 C ATOM 1074 O GLU A 73 6.750 -9.695 0.202 1.00 0.00 O ATOM 1075 CB GLU A 73 7.385 -12.932 -0.727 1.00 0.00 C ATOM 1076 CG GLU A 73 8.035 -14.176 -0.144 1.00 0.00 C ATOM 1077 CD GLU A 73 9.344 -13.876 0.560 1.00 0.00 C ATOM 1078 OE1 GLU A 73 10.383 -13.797 -0.127 1.00 0.00 O ATOM 1079 OE2 GLU A 73 9.327 -13.719 1.799 1.00 0.00 O ATOM 0 H GLU A 73 5.346 -13.746 0.404 1.00 0.00 H new ATOM 0 HA GLU A 73 7.270 -11.943 1.178 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.693 -13.229 -1.515 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.153 -12.315 -1.193 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.347 -14.644 0.560 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.213 -14.896 -0.943 1.00 0.00 H new ATOM 1086 N PHE A 74 5.475 -10.732 -1.334 1.00 0.00 N ATOM 1087 CA PHE A 74 5.070 -9.496 -1.992 1.00 0.00 C ATOM 1088 C PHE A 74 4.760 -8.410 -0.966 1.00 0.00 C ATOM 1089 O PHE A 74 5.343 -7.325 -0.997 1.00 0.00 O ATOM 1090 CB PHE A 74 3.846 -9.741 -2.877 1.00 0.00 C ATOM 1091 CG PHE A 74 3.069 -8.493 -3.185 1.00 0.00 C ATOM 1092 CD1 PHE A 74 3.564 -7.554 -4.075 1.00 0.00 C ATOM 1093 CD2 PHE A 74 1.843 -8.259 -2.584 1.00 0.00 C ATOM 1094 CE1 PHE A 74 2.851 -6.405 -4.361 1.00 0.00 C ATOM 1095 CE2 PHE A 74 1.125 -7.113 -2.866 1.00 0.00 C ATOM 1096 CZ PHE A 74 1.630 -6.184 -3.755 1.00 0.00 C ATOM 0 H PHE A 74 5.083 -11.578 -1.748 1.00 0.00 H new ATOM 0 HA PHE A 74 5.898 -9.158 -2.615 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.170 -10.198 -3.812 1.00 0.00 H new ATOM 0 HB3 PHE A 74 3.188 -10.456 -2.383 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.519 -7.722 -4.551 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.444 -8.981 -1.887 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.248 -5.681 -5.057 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.170 -6.943 -2.392 1.00 0.00 H new ATOM 0 HZ PHE A 74 1.071 -5.287 -3.976 1.00 0.00 H new ATOM 1106 N LEU A 75 3.837 -8.709 -0.058 1.00 0.00 N ATOM 1107 CA LEU A 75 3.448 -7.759 0.978 1.00 0.00 C ATOM 1108 C LEU A 75 4.667 -7.261 1.748 1.00 0.00 C ATOM 1109 O LEU A 75 4.916 -6.059 1.824 1.00 0.00 O ATOM 1110 CB LEU A 75 2.452 -8.405 1.942 1.00 0.00 C ATOM 1111 CG LEU A 75 0.978 -8.318 1.543 1.00 0.00 C ATOM 1112 CD1 LEU A 75 0.159 -9.358 2.292 1.00 0.00 C ATOM 1113 CD2 LEU A 75 0.436 -6.921 1.804 1.00 0.00 C ATOM 0 H LEU A 75 3.345 -9.601 -0.018 1.00 0.00 H new ATOM 0 HA LEU A 75 2.975 -6.905 0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.716 -9.457 2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.571 -7.940 2.921 1.00 0.00 H new ATOM 0 HG LEU A 75 0.898 -8.523 0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.887 -9.280 1.995 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.531 -10.355 2.054 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.245 -9.185 3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.614 -6.878 1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.530 -6.687 2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.003 -6.196 1.221 1.00 0.00 H new ATOM 1125 N GLN A 76 5.425 -8.196 2.313 1.00 0.00 N ATOM 1126 CA GLN A 76 6.620 -7.851 3.075 1.00 0.00 C ATOM 1127 C GLN A 76 7.510 -6.895 2.288 1.00 0.00 C ATOM 1128 O GLN A 76 8.000 -5.902 2.826 1.00 0.00 O ATOM 1129 CB GLN A 76 7.402 -9.116 3.435 1.00 0.00 C ATOM 1130 CG GLN A 76 6.689 -10.007 4.439 1.00 0.00 C ATOM 1131 CD GLN A 76 7.035 -9.664 5.874 1.00 0.00 C ATOM 1132 OE1 GLN A 76 7.178 -8.493 6.228 1.00 0.00 O ATOM 1133 NE2 GLN A 76 7.173 -10.686 6.711 1.00 0.00 N ATOM 0 H GLN A 76 5.233 -9.196 2.258 1.00 0.00 H new ATOM 0 HA GLN A 76 6.306 -7.353 3.992 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.592 -9.687 2.526 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.373 -8.830 3.840 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.612 -9.917 4.298 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.950 -11.047 4.245 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.046 -11.641 6.375 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.406 -10.516 7.689 1.00 0.00 H new ATOM 1142 N LYS A 77 7.717 -7.202 1.012 1.00 0.00 N ATOM 1143 CA LYS A 77 8.548 -6.370 0.150 1.00 0.00 C ATOM 1144 C LYS A 77 8.097 -4.913 0.200 1.00 0.00 C ATOM 1145 O LYS A 77 8.906 -3.997 0.051 1.00 0.00 O ATOM 1146 CB LYS A 77 8.495 -6.881 -1.292 1.00 0.00 C ATOM 1147 CG LYS A 77 9.354 -8.110 -1.533 1.00 0.00 C ATOM 1148 CD LYS A 77 9.149 -8.669 -2.931 1.00 0.00 C ATOM 1149 CE LYS A 77 10.389 -9.394 -3.429 1.00 0.00 C ATOM 1150 NZ LYS A 77 10.544 -10.731 -2.792 1.00 0.00 N ATOM 0 H LYS A 77 7.320 -8.021 0.552 1.00 0.00 H new ATOM 0 HA LYS A 77 9.574 -6.427 0.513 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.462 -7.114 -1.548 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.818 -6.085 -1.963 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.404 -7.854 -1.393 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.111 -8.875 -0.795 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.302 -9.355 -2.929 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.901 -7.858 -3.616 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.331 -9.512 -4.511 1.00 0.00 H new ATOM 0 HE3 LYS A 77 11.271 -8.789 -3.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.401 -11.193 -3.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.625 -10.617 -1.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.714 -11.318 -3.011 1.00 0.00 H new ATOM 1164 N HIS A 78 6.801 -4.707 0.413 1.00 0.00 N ATOM 1165 CA HIS A 78 6.243 -3.361 0.486 1.00 0.00 C ATOM 1166 C HIS A 78 5.827 -3.022 1.914 1.00 0.00 C ATOM 1167 O HIS A 78 6.504 -2.262 2.605 1.00 0.00 O ATOM 1168 CB HIS A 78 5.043 -3.232 -0.453 1.00 0.00 C ATOM 1169 CG HIS A 78 5.407 -3.304 -1.904 1.00 0.00 C ATOM 1170 ND1 HIS A 78 5.681 -4.489 -2.553 1.00 0.00 N ATOM 1171 CD2 HIS A 78 5.539 -2.328 -2.833 1.00 0.00 C ATOM 1172 CE1 HIS A 78 5.968 -4.239 -3.818 1.00 0.00 C ATOM 1173 NE2 HIS A 78 5.888 -2.935 -4.014 1.00 0.00 N ATOM 0 H HIS A 78 6.118 -5.454 0.538 1.00 0.00 H new ATOM 0 HA HIS A 78 7.015 -2.657 0.175 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.328 -4.023 -0.227 1.00 0.00 H new ATOM 0 HB3 HIS A 78 4.541 -2.284 -0.259 1.00 0.00 H new ATOM 0 HD1 HIS A 78 5.665 -5.414 -2.124 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.396 -1.269 -2.675 1.00 0.00 H new ATOM 0 HE1 HIS A 78 6.224 -4.976 -4.565 1.00 0.00 H new ATOM 1181 N GLY A 79 4.706 -3.590 2.349 1.00 0.00 N ATOM 1182 CA GLY A 79 4.218 -3.335 3.692 1.00 0.00 C ATOM 1183 C GLY A 79 3.994 -1.860 3.956 1.00 0.00 C ATOM 1184 O GLY A 79 4.551 -1.007 3.267 1.00 0.00 O ATOM 0 H GLY A 79 4.127 -4.222 1.796 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.283 -3.874 3.844 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.933 -3.726 4.416 1.00 0.00 H new ATOM 1188 N ASN A 80 3.174 -1.558 4.958 1.00 0.00 N ATOM 1189 CA ASN A 80 2.876 -0.174 5.311 1.00 0.00 C ATOM 1190 C ASN A 80 4.158 0.605 5.588 1.00 0.00 C ATOM 1191 O ASN A 80 4.173 1.834 5.527 1.00 0.00 O ATOM 1192 CB ASN A 80 1.960 -0.125 6.536 1.00 0.00 C ATOM 1193 CG ASN A 80 0.643 -0.838 6.302 1.00 0.00 C ATOM 1194 OD1 ASN A 80 0.516 -1.645 5.381 1.00 0.00 O ATOM 1195 ND2 ASN A 80 -0.346 -0.542 7.137 1.00 0.00 N ATOM 0 H ASN A 80 2.704 -2.252 5.539 1.00 0.00 H new ATOM 0 HA ASN A 80 2.367 0.289 4.466 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.470 -0.579 7.386 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.765 0.915 6.799 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.256 -0.990 7.029 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.196 0.133 7.887 1.00 0.00 H new ATOM 1202 N GLU A 81 5.230 -0.119 5.892 1.00 0.00 N ATOM 1203 CA GLU A 81 6.516 0.505 6.179 1.00 0.00 C ATOM 1204 C GLU A 81 6.860 1.553 5.124 1.00 0.00 C ATOM 1205 O GLU A 81 6.968 2.742 5.426 1.00 0.00 O ATOM 1206 CB GLU A 81 7.620 -0.553 6.240 1.00 0.00 C ATOM 1207 CG GLU A 81 8.944 -0.022 6.763 1.00 0.00 C ATOM 1208 CD GLU A 81 9.896 -1.130 7.172 1.00 0.00 C ATOM 1209 OE1 GLU A 81 9.430 -2.272 7.367 1.00 0.00 O ATOM 1210 OE2 GLU A 81 11.108 -0.854 7.296 1.00 0.00 O ATOM 0 H GLU A 81 5.234 -1.138 5.946 1.00 0.00 H new ATOM 0 HA GLU A 81 6.442 0.999 7.148 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.290 -1.374 6.877 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.772 -0.965 5.242 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.415 0.591 5.994 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.758 0.627 7.619 1.00 0.00 H new ATOM 1217 N VAL A 82 7.030 1.104 3.885 1.00 0.00 N ATOM 1218 CA VAL A 82 7.360 2.001 2.785 1.00 0.00 C ATOM 1219 C VAL A 82 6.101 2.483 2.072 1.00 0.00 C ATOM 1220 O VAL A 82 6.023 3.633 1.638 1.00 0.00 O ATOM 1221 CB VAL A 82 8.286 1.318 1.761 1.00 0.00 C ATOM 1222 CG1 VAL A 82 9.591 0.897 2.420 1.00 0.00 C ATOM 1223 CG2 VAL A 82 7.589 0.123 1.127 1.00 0.00 C ATOM 0 H VAL A 82 6.944 0.123 3.618 1.00 0.00 H new ATOM 0 HA VAL A 82 7.879 2.856 3.219 1.00 0.00 H new ATOM 0 HB VAL A 82 8.519 2.034 0.973 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.233 0.416 1.682 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.095 1.776 2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.381 0.197 3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.257 -0.348 0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.325 -0.597 1.901 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.684 0.457 0.619 1.00 0.00 H new ATOM 1233 N CYS A 83 5.118 1.598 1.955 1.00 0.00 N ATOM 1234 CA CYS A 83 3.862 1.932 1.294 1.00 0.00 C ATOM 1235 C CYS A 83 3.356 3.298 1.748 1.00 0.00 C ATOM 1236 O CYS A 83 3.330 4.252 0.970 1.00 0.00 O ATOM 1237 CB CYS A 83 2.808 0.863 1.585 1.00 0.00 C ATOM 1238 SG CYS A 83 2.788 -0.497 0.393 1.00 0.00 S ATOM 0 H CYS A 83 5.167 0.643 2.310 1.00 0.00 H new ATOM 0 HA CYS A 83 4.044 1.970 0.220 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.983 0.457 2.581 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.824 1.333 1.601 1.00 0.00 H new ATOM 0 HG CYS A 83 1.612 -0.575 -0.156 1.00 0.00 H new ATOM 1244 N LYS A 84 2.954 3.385 3.011 1.00 0.00 N ATOM 1245 CA LYS A 84 2.448 4.633 3.570 1.00 0.00 C ATOM 1246 C LYS A 84 3.288 5.817 3.104 1.00 0.00 C ATOM 1247 O LYS A 84 2.804 6.686 2.380 1.00 0.00 O ATOM 1248 CB LYS A 84 2.444 4.566 5.099 1.00 0.00 C ATOM 1249 CG LYS A 84 1.636 5.673 5.753 1.00 0.00 C ATOM 1250 CD LYS A 84 1.020 5.214 7.064 1.00 0.00 C ATOM 1251 CE LYS A 84 2.055 4.560 7.967 1.00 0.00 C ATOM 1252 NZ LYS A 84 1.421 3.808 9.085 1.00 0.00 N ATOM 0 H LYS A 84 2.969 2.605 3.668 1.00 0.00 H new ATOM 0 HA LYS A 84 1.427 4.773 3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.043 3.602 5.411 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.471 4.616 5.459 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.278 6.535 5.934 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.848 5.999 5.074 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.575 6.067 7.577 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.214 4.508 6.861 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.674 3.882 7.379 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.717 5.325 8.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.160 3.378 9.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.851 4.459 9.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.809 3.062 8.698 1.00 0.00 H new ATOM 1266 N GLN A 85 4.549 5.844 3.524 1.00 0.00 N ATOM 1267 CA GLN A 85 5.456 6.922 3.148 1.00 0.00 C ATOM 1268 C GLN A 85 5.343 7.235 1.660 1.00 0.00 C ATOM 1269 O GLN A 85 5.203 8.395 1.269 1.00 0.00 O ATOM 1270 CB GLN A 85 6.898 6.547 3.495 1.00 0.00 C ATOM 1271 CG GLN A 85 7.268 6.824 4.943 1.00 0.00 C ATOM 1272 CD GLN A 85 8.715 6.493 5.249 1.00 0.00 C ATOM 1273 OE1 GLN A 85 9.569 7.378 5.302 1.00 0.00 O ATOM 1274 NE2 GLN A 85 8.999 5.212 5.454 1.00 0.00 N ATOM 0 H GLN A 85 4.965 5.132 4.124 1.00 0.00 H new ATOM 0 HA GLN A 85 5.174 7.813 3.710 1.00 0.00 H new ATOM 0 HB2 GLN A 85 7.049 5.488 3.287 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.575 7.100 2.844 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.085 7.875 5.166 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.620 6.241 5.598 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.260 4.511 5.400 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.956 4.929 5.665 1.00 0.00 H new ATOM 1283 N ILE A 86 5.404 6.195 0.836 1.00 0.00 N ATOM 1284 CA ILE A 86 5.308 6.360 -0.610 1.00 0.00 C ATOM 1285 C ILE A 86 4.039 7.115 -0.993 1.00 0.00 C ATOM 1286 O ILE A 86 3.998 7.801 -2.014 1.00 0.00 O ATOM 1287 CB ILE A 86 5.322 5.001 -1.333 1.00 0.00 C ATOM 1288 CG1 ILE A 86 6.739 4.424 -1.353 1.00 0.00 C ATOM 1289 CG2 ILE A 86 4.785 5.150 -2.749 1.00 0.00 C ATOM 1290 CD1 ILE A 86 6.775 2.915 -1.450 1.00 0.00 C ATOM 0 H ILE A 86 5.519 5.229 1.144 1.00 0.00 H new ATOM 0 HA ILE A 86 6.179 6.937 -0.921 1.00 0.00 H new ATOM 0 HB ILE A 86 4.676 4.310 -0.791 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.283 4.847 -2.197 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.262 4.735 -0.448 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.801 4.181 -3.248 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.761 5.523 -2.713 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.408 5.853 -3.302 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.811 2.576 -1.459 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.259 2.483 -0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.281 2.598 -2.368 1.00 0.00 H new ATOM 1302 N TRP A 87 3.008 6.984 -0.167 1.00 0.00 N ATOM 1303 CA TRP A 87 1.737 7.655 -0.419 1.00 0.00 C ATOM 1304 C TRP A 87 1.669 8.986 0.322 1.00 0.00 C ATOM 1305 O TRP A 87 0.796 9.814 0.053 1.00 0.00 O ATOM 1306 CB TRP A 87 0.571 6.761 0.005 1.00 0.00 C ATOM 1307 CG TRP A 87 0.456 5.509 -0.810 1.00 0.00 C ATOM 1308 CD1 TRP A 87 0.792 4.243 -0.421 1.00 0.00 C ATOM 1309 CD2 TRP A 87 -0.025 5.402 -2.154 1.00 0.00 C ATOM 1310 NE1 TRP A 87 0.547 3.357 -1.442 1.00 0.00 N ATOM 1311 CE2 TRP A 87 0.045 4.043 -2.516 1.00 0.00 C ATOM 1312 CE3 TRP A 87 -0.511 6.322 -3.087 1.00 0.00 C ATOM 1313 CZ2 TRP A 87 -0.352 3.584 -3.769 1.00 0.00 C ATOM 1314 CZ3 TRP A 87 -0.904 5.866 -4.331 1.00 0.00 C ATOM 1315 CH2 TRP A 87 -0.823 4.507 -4.663 1.00 0.00 C ATOM 0 H TRP A 87 3.026 6.420 0.683 1.00 0.00 H new ATOM 0 HA TRP A 87 1.664 7.851 -1.489 1.00 0.00 H new ATOM 0 HB2 TRP A 87 0.691 6.493 1.055 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -0.358 7.325 -0.076 1.00 0.00 H new ATOM 0 HD1 TRP A 87 1.191 3.978 0.547 1.00 0.00 H new ATOM 0 HE1 TRP A 87 0.712 2.351 -1.406 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -0.578 7.371 -2.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -0.290 2.537 -4.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -1.280 6.569 -5.060 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.138 4.182 -5.643 1.00 0.00 H new ATOM 1326 N LEU A 88 2.593 9.188 1.254 1.00 0.00 N ATOM 1327 CA LEU A 88 2.637 10.420 2.034 1.00 0.00 C ATOM 1328 C LEU A 88 3.862 11.252 1.668 1.00 0.00 C ATOM 1329 O LEU A 88 4.255 12.154 2.406 1.00 0.00 O ATOM 1330 CB LEU A 88 2.653 10.100 3.530 1.00 0.00 C ATOM 1331 CG LEU A 88 1.699 8.996 3.990 1.00 0.00 C ATOM 1332 CD1 LEU A 88 1.245 9.245 5.420 1.00 0.00 C ATOM 1333 CD2 LEU A 88 0.501 8.904 3.056 1.00 0.00 C ATOM 0 H LEU A 88 3.322 8.515 1.488 1.00 0.00 H new ATOM 0 HA LEU A 88 1.744 11.000 1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.667 9.816 3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.414 11.011 4.079 1.00 0.00 H new ATOM 0 HG LEU A 88 2.232 8.045 3.960 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.567 8.450 5.730 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.113 9.260 6.080 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.730 10.204 5.476 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.167 8.114 3.398 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.032 9.855 3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.843 8.678 2.046 1.00 0.00 H new ATOM 1345 N GLY A 89 4.460 10.943 0.521 1.00 0.00 N ATOM 1346 CA GLY A 89 5.633 11.673 0.076 1.00 0.00 C ATOM 1347 C GLY A 89 5.517 13.164 0.326 1.00 0.00 C ATOM 1348 O GLY A 89 6.389 13.765 0.956 1.00 0.00 O ATOM 0 H GLY A 89 4.153 10.201 -0.108 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.513 11.289 0.591 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.784 11.497 -0.989 1.00 0.00 H new ATOM 1352 N LEU A 90 4.440 13.763 -0.169 1.00 0.00 N ATOM 1353 CA LEU A 90 4.214 15.194 0.002 1.00 0.00 C ATOM 1354 C LEU A 90 3.563 15.485 1.351 1.00 0.00 C ATOM 1355 O LEU A 90 3.936 16.435 2.040 1.00 0.00 O ATOM 1356 CB LEU A 90 3.334 15.730 -1.128 1.00 0.00 C ATOM 1357 CG LEU A 90 4.065 16.177 -2.394 1.00 0.00 C ATOM 1358 CD1 LEU A 90 3.071 16.603 -3.463 1.00 0.00 C ATOM 1359 CD2 LEU A 90 5.032 17.310 -2.080 1.00 0.00 C ATOM 0 H LEU A 90 3.709 13.280 -0.692 1.00 0.00 H new ATOM 0 HA LEU A 90 5.181 15.696 -0.030 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.617 14.956 -1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.761 16.575 -0.746 1.00 0.00 H new ATOM 0 HG LEU A 90 4.638 15.332 -2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.610 16.918 -4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.419 15.764 -3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.470 17.433 -3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.543 17.615 -2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.480 18.157 -1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.766 16.970 -1.349 1.00 0.00 H new ATOM 1371 N PHE A 91 2.590 14.660 1.722 1.00 0.00 N ATOM 1372 CA PHE A 91 1.888 14.828 2.989 1.00 0.00 C ATOM 1373 C PHE A 91 2.844 15.293 4.084 1.00 0.00 C ATOM 1374 O PHE A 91 3.974 14.813 4.181 1.00 0.00 O ATOM 1375 CB PHE A 91 1.219 13.515 3.404 1.00 0.00 C ATOM 1376 CG PHE A 91 -0.033 13.709 4.211 1.00 0.00 C ATOM 1377 CD1 PHE A 91 0.027 13.820 5.590 1.00 0.00 C ATOM 1378 CD2 PHE A 91 -1.269 13.780 3.589 1.00 0.00 C ATOM 1379 CE1 PHE A 91 -1.124 13.997 6.335 1.00 0.00 C ATOM 1380 CE2 PHE A 91 -2.423 13.957 4.328 1.00 0.00 C ATOM 1381 CZ PHE A 91 -2.350 14.067 5.703 1.00 0.00 C ATOM 0 H PHE A 91 2.270 13.869 1.164 1.00 0.00 H new ATOM 0 HA PHE A 91 1.122 15.591 2.852 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.980 12.940 2.510 1.00 0.00 H new ATOM 0 HB3 PHE A 91 1.927 12.923 3.984 1.00 0.00 H new ATOM 0 HD1 PHE A 91 0.983 13.768 6.089 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -1.331 13.696 2.514 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -1.065 14.080 7.410 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.381 14.009 3.831 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.250 14.208 6.283 1.00 0.00 H new ATOM 1490 N PRO A 99 -8.442 13.164 8.619 1.00 0.00 N ATOM 1491 CA PRO A 99 -9.875 12.904 8.783 1.00 0.00 C ATOM 1492 C PRO A 99 -10.182 12.139 10.067 1.00 0.00 C ATOM 1493 O PRO A 99 -9.284 11.848 10.857 1.00 0.00 O ATOM 1494 CB PRO A 99 -10.223 12.054 7.558 1.00 0.00 C ATOM 1495 CG PRO A 99 -8.942 11.397 7.176 1.00 0.00 C ATOM 1496 CD PRO A 99 -7.855 12.377 7.521 1.00 0.00 C ATOM 0 HA PRO A 99 -10.451 13.826 8.857 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.991 11.317 7.793 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -10.610 12.670 6.746 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -8.808 10.460 7.716 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -8.928 11.157 6.113 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.942 11.871 7.833 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.596 13.006 6.669 1.00 0.00 H new ATOM 1504 N ASP A 100 -11.455 11.817 10.267 1.00 0.00 N ATOM 1505 CA ASP A 100 -11.880 11.085 11.455 1.00 0.00 C ATOM 1506 C ASP A 100 -11.969 9.589 11.168 1.00 0.00 C ATOM 1507 O ASP A 100 -12.128 9.175 10.020 1.00 0.00 O ATOM 1508 CB ASP A 100 -13.233 11.604 11.943 1.00 0.00 C ATOM 1509 CG ASP A 100 -13.120 12.943 12.645 1.00 0.00 C ATOM 1510 OD1 ASP A 100 -12.633 13.905 12.014 1.00 0.00 O ATOM 1511 OD2 ASP A 100 -13.520 13.029 13.825 1.00 0.00 O ATOM 0 H ASP A 100 -12.210 12.051 9.623 1.00 0.00 H new ATOM 0 HA ASP A 100 -11.136 11.244 12.235 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.910 11.698 11.094 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -13.674 10.876 12.624 1.00 0.00 H new ATOM 1516 N PHE A 101 -11.863 8.783 12.219 1.00 0.00 N ATOM 1517 CA PHE A 101 -11.929 7.333 12.080 1.00 0.00 C ATOM 1518 C PHE A 101 -13.246 6.793 12.630 1.00 0.00 C ATOM 1519 O PHE A 101 -13.264 5.823 13.387 1.00 0.00 O ATOM 1520 CB PHE A 101 -10.753 6.676 12.806 1.00 0.00 C ATOM 1521 CG PHE A 101 -9.456 7.414 12.637 1.00 0.00 C ATOM 1522 CD1 PHE A 101 -9.019 7.795 11.379 1.00 0.00 C ATOM 1523 CD2 PHE A 101 -8.673 7.727 13.737 1.00 0.00 C ATOM 1524 CE1 PHE A 101 -7.826 8.474 11.220 1.00 0.00 C ATOM 1525 CE2 PHE A 101 -7.480 8.406 13.585 1.00 0.00 C ATOM 1526 CZ PHE A 101 -7.055 8.780 12.324 1.00 0.00 C ATOM 0 H PHE A 101 -11.731 9.109 13.176 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.873 7.092 11.018 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -10.986 6.606 13.868 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.633 5.657 12.438 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.618 7.559 10.512 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -9.000 7.437 14.725 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -7.497 8.765 10.233 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.880 8.645 14.451 1.00 0.00 H new ATOM 0 HZ PHE A 101 -6.122 9.310 12.202 1.00 0.00 H new ATOM 1536 N ARG A 102 -14.347 7.430 12.243 1.00 0.00 N ATOM 1537 CA ARG A 102 -15.669 7.016 12.697 1.00 0.00 C ATOM 1538 C ARG A 102 -16.651 6.956 11.531 1.00 0.00 C ATOM 1539 O ARG A 102 -17.431 6.012 11.411 1.00 0.00 O ATOM 1540 CB ARG A 102 -16.188 7.979 13.766 1.00 0.00 C ATOM 1541 CG ARG A 102 -15.325 8.024 15.016 1.00 0.00 C ATOM 1542 CD ARG A 102 -15.907 8.962 16.062 1.00 0.00 C ATOM 1543 NE ARG A 102 -17.013 8.347 16.793 1.00 0.00 N ATOM 1544 CZ ARG A 102 -17.411 8.747 17.995 1.00 0.00 C ATOM 1545 NH1 ARG A 102 -16.798 9.756 18.599 1.00 0.00 N ATOM 1546 NH2 ARG A 102 -18.425 8.138 18.596 1.00 0.00 N ATOM 0 H ARG A 102 -14.349 8.235 11.616 1.00 0.00 H new ATOM 0 HA ARG A 102 -15.582 6.018 13.127 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -16.250 8.981 13.341 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -17.201 7.688 14.044 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -15.236 7.021 15.434 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -14.319 8.350 14.753 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -15.125 9.252 16.764 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -16.255 9.874 15.578 1.00 0.00 H new ATOM 0 HE ARG A 102 -17.506 7.568 16.356 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -16.018 10.227 18.140 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -17.106 10.061 19.522 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -18.900 7.362 18.135 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -18.730 8.446 19.519 1.00 0.00 H new ATOM 1560 N ASP A 103 -16.606 7.970 10.674 1.00 0.00 N ATOM 1561 CA ASP A 103 -17.491 8.033 9.517 1.00 0.00 C ATOM 1562 C ASP A 103 -16.765 7.584 8.252 1.00 0.00 C ATOM 1563 O ASP A 103 -15.705 8.101 7.898 1.00 0.00 O ATOM 1564 CB ASP A 103 -18.026 9.454 9.334 1.00 0.00 C ATOM 1565 CG ASP A 103 -19.125 9.791 10.323 1.00 0.00 C ATOM 1566 OD1 ASP A 103 -19.969 8.911 10.595 1.00 0.00 O ATOM 1567 OD2 ASP A 103 -19.140 10.933 10.826 1.00 0.00 O ATOM 0 H ASP A 103 -15.966 8.760 10.759 1.00 0.00 H new ATOM 0 HA ASP A 103 -18.328 7.357 9.694 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -17.208 10.165 9.449 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -18.407 9.568 8.319 1.00 0.00 H new ATOM 1572 N PRO A 104 -17.347 6.596 7.555 1.00 0.00 N ATOM 1573 CA PRO A 104 -16.772 6.055 6.320 1.00 0.00 C ATOM 1574 C PRO A 104 -16.844 7.046 5.164 1.00 0.00 C ATOM 1575 O PRO A 104 -15.994 7.038 4.275 1.00 0.00 O ATOM 1576 CB PRO A 104 -17.645 4.831 6.030 1.00 0.00 C ATOM 1577 CG PRO A 104 -18.945 5.126 6.695 1.00 0.00 C ATOM 1578 CD PRO A 104 -18.610 5.933 7.919 1.00 0.00 C ATOM 0 HA PRO A 104 -15.712 5.824 6.430 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -17.774 4.682 4.958 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -17.195 3.921 6.427 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -19.606 5.682 6.030 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -19.463 4.206 6.964 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -19.392 6.657 8.150 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -18.493 5.300 8.798 1.00 0.00 H new ATOM 1586 N GLN A 105 -17.864 7.898 5.184 1.00 0.00 N ATOM 1587 CA GLN A 105 -18.046 8.896 4.136 1.00 0.00 C ATOM 1588 C GLN A 105 -16.820 9.797 4.023 1.00 0.00 C ATOM 1589 O GLN A 105 -16.382 10.133 2.923 1.00 0.00 O ATOM 1590 CB GLN A 105 -19.290 9.741 4.417 1.00 0.00 C ATOM 1591 CG GLN A 105 -19.940 10.301 3.162 1.00 0.00 C ATOM 1592 CD GLN A 105 -20.168 9.244 2.100 1.00 0.00 C ATOM 1593 OE1 GLN A 105 -20.920 8.291 2.307 1.00 0.00 O ATOM 1594 NE2 GLN A 105 -19.518 9.406 0.954 1.00 0.00 N ATOM 0 H GLN A 105 -18.576 7.917 5.914 1.00 0.00 H new ATOM 0 HA GLN A 105 -18.178 8.372 3.189 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -20.019 9.133 4.953 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -19.018 10.566 5.075 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -20.894 10.758 3.425 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -19.310 11.091 2.753 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -18.905 10.211 0.825 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -19.632 8.726 0.202 1.00 0.00 H new ATOM 1603 N LYS A 106 -16.270 10.185 5.169 1.00 0.00 N ATOM 1604 CA LYS A 106 -15.094 11.046 5.200 1.00 0.00 C ATOM 1605 C LYS A 106 -13.840 10.269 4.810 1.00 0.00 C ATOM 1606 O LYS A 106 -13.194 10.577 3.808 1.00 0.00 O ATOM 1607 CB LYS A 106 -14.917 11.652 6.594 1.00 0.00 C ATOM 1608 CG LYS A 106 -16.048 12.581 7.001 1.00 0.00 C ATOM 1609 CD LYS A 106 -16.024 13.873 6.201 1.00 0.00 C ATOM 1610 CE LYS A 106 -15.075 14.891 6.815 1.00 0.00 C ATOM 1611 NZ LYS A 106 -15.711 15.637 7.936 1.00 0.00 N ATOM 0 H LYS A 106 -16.620 9.917 6.089 1.00 0.00 H new ATOM 0 HA LYS A 106 -15.243 11.848 4.477 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -14.839 10.846 7.324 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.977 12.202 6.625 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -17.004 12.078 6.853 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -15.968 12.809 8.064 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -15.719 13.662 5.176 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -17.029 14.292 6.155 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -14.182 14.382 7.178 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -14.751 15.595 6.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -15.032 16.321 8.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -16.549 16.143 7.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -15.997 14.969 8.680 1.00 0.00 H new ATOM 1625 N VAL A 107 -13.502 9.261 5.607 1.00 0.00 N ATOM 1626 CA VAL A 107 -12.327 8.438 5.343 1.00 0.00 C ATOM 1627 C VAL A 107 -12.245 8.055 3.870 1.00 0.00 C ATOM 1628 O VAL A 107 -11.170 8.078 3.270 1.00 0.00 O ATOM 1629 CB VAL A 107 -12.337 7.156 6.196 1.00 0.00 C ATOM 1630 CG1 VAL A 107 -11.203 6.231 5.782 1.00 0.00 C ATOM 1631 CG2 VAL A 107 -12.241 7.501 7.675 1.00 0.00 C ATOM 0 H VAL A 107 -14.025 8.994 6.441 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.455 9.035 5.609 1.00 0.00 H new ATOM 0 HB VAL A 107 -13.279 6.635 6.028 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -11.226 5.330 6.395 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -11.320 5.959 4.733 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -10.249 6.740 5.920 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -12.249 6.584 8.264 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -11.315 8.044 7.863 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -13.090 8.123 7.959 1.00 0.00 H new ATOM 1641 N LYS A 108 -13.388 7.702 3.291 1.00 0.00 N ATOM 1642 CA LYS A 108 -13.447 7.314 1.887 1.00 0.00 C ATOM 1643 C LYS A 108 -12.934 8.436 0.990 1.00 0.00 C ATOM 1644 O LYS A 108 -12.077 8.216 0.135 1.00 0.00 O ATOM 1645 CB LYS A 108 -14.882 6.952 1.497 1.00 0.00 C ATOM 1646 CG LYS A 108 -15.015 6.444 0.072 1.00 0.00 C ATOM 1647 CD LYS A 108 -16.336 5.723 -0.142 1.00 0.00 C ATOM 1648 CE LYS A 108 -16.278 4.801 -1.351 1.00 0.00 C ATOM 1649 NZ LYS A 108 -16.424 5.552 -2.629 1.00 0.00 N ATOM 0 H LYS A 108 -14.286 7.677 3.773 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.808 6.442 1.750 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.254 6.190 2.182 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.516 7.830 1.622 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -14.940 7.281 -0.622 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -14.190 5.768 -0.153 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -16.584 5.144 0.747 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -17.133 6.454 -0.278 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -15.330 4.263 -1.352 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -17.068 4.054 -1.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -16.922 4.960 -3.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -16.970 6.421 -2.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -15.483 5.800 -2.996 1.00 0.00 H new ATOM 1663 N GLU A 109 -13.463 9.639 1.193 1.00 0.00 N ATOM 1664 CA GLU A 109 -13.056 10.795 0.403 1.00 0.00 C ATOM 1665 C GLU A 109 -11.547 11.009 0.488 1.00 0.00 C ATOM 1666 O GLU A 109 -10.844 10.958 -0.522 1.00 0.00 O ATOM 1667 CB GLU A 109 -13.787 12.051 0.881 1.00 0.00 C ATOM 1668 CG GLU A 109 -15.299 11.958 0.761 1.00 0.00 C ATOM 1669 CD GLU A 109 -16.019 12.853 1.751 1.00 0.00 C ATOM 1670 OE1 GLU A 109 -15.538 13.981 1.990 1.00 0.00 O ATOM 1671 OE2 GLU A 109 -17.064 12.427 2.285 1.00 0.00 O ATOM 0 H GLU A 109 -14.174 9.838 1.897 1.00 0.00 H new ATOM 0 HA GLU A 109 -13.321 10.603 -0.637 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -13.525 12.240 1.922 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -13.437 12.907 0.304 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -15.597 12.230 -0.252 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -15.609 10.925 0.918 1.00 0.00 H new ATOM 1678 N PHE A 110 -11.057 11.248 1.699 1.00 0.00 N ATOM 1679 CA PHE A 110 -9.632 11.471 1.917 1.00 0.00 C ATOM 1680 C PHE A 110 -8.801 10.392 1.229 1.00 0.00 C ATOM 1681 O PHE A 110 -7.827 10.689 0.536 1.00 0.00 O ATOM 1682 CB PHE A 110 -9.321 11.493 3.415 1.00 0.00 C ATOM 1683 CG PHE A 110 -7.852 11.418 3.723 1.00 0.00 C ATOM 1684 CD1 PHE A 110 -7.159 10.228 3.571 1.00 0.00 C ATOM 1685 CD2 PHE A 110 -7.166 12.538 4.165 1.00 0.00 C ATOM 1686 CE1 PHE A 110 -5.808 10.156 3.854 1.00 0.00 C ATOM 1687 CE2 PHE A 110 -5.815 12.471 4.448 1.00 0.00 C ATOM 1688 CZ PHE A 110 -5.135 11.279 4.294 1.00 0.00 C ATOM 0 H PHE A 110 -11.625 11.292 2.545 1.00 0.00 H new ATOM 0 HA PHE A 110 -9.370 12.437 1.485 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -9.729 12.406 3.849 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -9.828 10.656 3.896 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.680 9.347 3.228 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.693 13.473 4.290 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -5.279 9.222 3.731 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -5.291 13.351 4.790 1.00 0.00 H new ATOM 0 HZ PHE A 110 -4.080 11.225 4.517 1.00 0.00 H new ATOM 1698 N LEU A 111 -9.193 9.138 1.425 1.00 0.00 N ATOM 1699 CA LEU A 111 -8.485 8.013 0.825 1.00 0.00 C ATOM 1700 C LEU A 111 -8.348 8.197 -0.683 1.00 0.00 C ATOM 1701 O LEU A 111 -7.293 7.929 -1.257 1.00 0.00 O ATOM 1702 CB LEU A 111 -9.218 6.704 1.125 1.00 0.00 C ATOM 1703 CG LEU A 111 -8.820 5.994 2.419 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -9.735 4.807 2.680 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -7.367 5.546 2.357 1.00 0.00 C ATOM 0 H LEU A 111 -9.997 8.875 1.995 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.486 7.971 1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.288 6.910 1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.053 6.019 0.293 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.927 6.698 3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -9.436 4.314 3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -10.764 5.154 2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.661 4.101 1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.101 5.043 3.287 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -7.233 4.859 1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -6.724 6.415 2.219 1.00 0.00 H new ATOM 1717 N GLN A 112 -9.421 8.659 -1.317 1.00 0.00 N ATOM 1718 CA GLN A 112 -9.419 8.882 -2.758 1.00 0.00 C ATOM 1719 C GLN A 112 -8.378 9.926 -3.147 1.00 0.00 C ATOM 1720 O GLN A 112 -7.733 9.815 -4.189 1.00 0.00 O ATOM 1721 CB GLN A 112 -10.805 9.326 -3.229 1.00 0.00 C ATOM 1722 CG GLN A 112 -11.838 8.211 -3.217 1.00 0.00 C ATOM 1723 CD GLN A 112 -13.235 8.705 -3.539 1.00 0.00 C ATOM 1724 OE1 GLN A 112 -13.406 9.688 -4.261 1.00 0.00 O ATOM 1725 NE2 GLN A 112 -14.242 8.025 -3.005 1.00 0.00 N ATOM 0 H GLN A 112 -10.302 8.886 -0.856 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.162 7.941 -3.245 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.153 10.139 -2.592 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.725 9.725 -4.240 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -11.551 7.448 -3.940 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -11.842 7.735 -2.236 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -14.054 7.216 -2.413 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -15.204 8.311 -3.187 1.00 0.00 H new ATOM 1734 N GLU A 113 -8.220 10.940 -2.302 1.00 0.00 N ATOM 1735 CA GLU A 113 -7.258 12.005 -2.559 1.00 0.00 C ATOM 1736 C GLU A 113 -5.836 11.455 -2.602 1.00 0.00 C ATOM 1737 O GLU A 113 -4.922 12.103 -3.112 1.00 0.00 O ATOM 1738 CB GLU A 113 -7.364 13.089 -1.484 1.00 0.00 C ATOM 1739 CG GLU A 113 -8.688 13.836 -1.502 1.00 0.00 C ATOM 1740 CD GLU A 113 -8.779 14.834 -2.639 1.00 0.00 C ATOM 1741 OE1 GLU A 113 -7.874 15.686 -2.757 1.00 0.00 O ATOM 1742 OE2 GLU A 113 -9.758 14.762 -3.413 1.00 0.00 O ATOM 0 H GLU A 113 -8.745 11.046 -1.434 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.490 12.442 -3.530 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.228 12.632 -0.504 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.552 13.803 -1.618 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.504 13.119 -1.587 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -8.819 14.358 -0.554 1.00 0.00 H new ATOM 1749 N LYS A 114 -5.656 10.253 -2.063 1.00 0.00 N ATOM 1750 CA LYS A 114 -4.346 9.613 -2.040 1.00 0.00 C ATOM 1751 C LYS A 114 -4.278 8.477 -3.056 1.00 0.00 C ATOM 1752 O LYS A 114 -3.197 8.103 -3.511 1.00 0.00 O ATOM 1753 CB LYS A 114 -4.043 9.077 -0.639 1.00 0.00 C ATOM 1754 CG LYS A 114 -2.863 8.122 -0.595 1.00 0.00 C ATOM 1755 CD LYS A 114 -2.818 7.350 0.713 1.00 0.00 C ATOM 1756 CE LYS A 114 -2.028 8.100 1.775 1.00 0.00 C ATOM 1757 NZ LYS A 114 -2.894 9.022 2.562 1.00 0.00 N ATOM 0 H LYS A 114 -6.401 9.703 -1.636 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.599 10.360 -2.306 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -3.845 9.917 0.027 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.927 8.567 -0.255 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.928 7.423 -1.429 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -1.936 8.682 -0.720 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -3.833 7.175 1.069 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.366 6.372 0.545 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.553 7.385 2.447 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.229 8.669 1.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -2.411 9.935 2.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -3.793 9.168 2.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -3.084 8.607 3.497 1.00 0.00 H new ATOM 1771 N TYR A 115 -5.438 7.934 -3.408 1.00 0.00 N ATOM 1772 CA TYR A 115 -5.509 6.841 -4.370 1.00 0.00 C ATOM 1773 C TYR A 115 -6.013 7.336 -5.722 1.00 0.00 C ATOM 1774 O TYR A 115 -5.364 7.139 -6.748 1.00 0.00 O ATOM 1775 CB TYR A 115 -6.424 5.732 -3.847 1.00 0.00 C ATOM 1776 CG TYR A 115 -5.852 4.983 -2.664 1.00 0.00 C ATOM 1777 CD1 TYR A 115 -4.563 4.468 -2.699 1.00 0.00 C ATOM 1778 CD2 TYR A 115 -6.602 4.793 -1.510 1.00 0.00 C ATOM 1779 CE1 TYR A 115 -4.037 3.782 -1.621 1.00 0.00 C ATOM 1780 CE2 TYR A 115 -6.085 4.110 -0.426 1.00 0.00 C ATOM 1781 CZ TYR A 115 -4.802 3.606 -0.487 1.00 0.00 C ATOM 1782 OH TYR A 115 -4.282 2.925 0.590 1.00 0.00 O ATOM 0 H TYR A 115 -6.342 8.233 -3.042 1.00 0.00 H new ATOM 0 HA TYR A 115 -4.503 6.442 -4.502 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.382 6.167 -3.562 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -6.622 5.025 -4.653 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -3.961 4.606 -3.585 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.607 5.186 -1.459 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -3.033 3.386 -1.666 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -6.681 3.971 0.464 1.00 0.00 H new ATOM 0 HH TYR A 115 -3.763 3.542 1.147 1.00 0.00 H new ATOM 1792 N GLU A 116 -7.176 7.981 -5.712 1.00 0.00 N ATOM 1793 CA GLU A 116 -7.768 8.505 -6.937 1.00 0.00 C ATOM 1794 C GLU A 116 -7.000 9.726 -7.434 1.00 0.00 C ATOM 1795 O GLU A 116 -6.486 9.738 -8.553 1.00 0.00 O ATOM 1796 CB GLU A 116 -9.235 8.872 -6.705 1.00 0.00 C ATOM 1797 CG GLU A 116 -10.195 7.715 -6.930 1.00 0.00 C ATOM 1798 CD GLU A 116 -10.465 7.459 -8.400 1.00 0.00 C ATOM 1799 OE1 GLU A 116 -9.689 6.706 -9.024 1.00 0.00 O ATOM 1800 OE2 GLU A 116 -11.453 8.013 -8.926 1.00 0.00 O ATOM 0 H GLU A 116 -7.726 8.153 -4.870 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.711 7.727 -7.698 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.352 9.237 -5.685 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.505 9.692 -7.370 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.783 6.813 -6.477 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -11.137 7.925 -6.423 1.00 0.00 H new ATOM 1807 N LYS A 117 -6.925 10.753 -6.594 1.00 0.00 N ATOM 1808 CA LYS A 117 -6.220 11.980 -6.946 1.00 0.00 C ATOM 1809 C LYS A 117 -4.710 11.784 -6.852 1.00 0.00 C ATOM 1810 O LYS A 117 -3.941 12.483 -7.514 1.00 0.00 O ATOM 1811 CB LYS A 117 -6.655 13.123 -6.026 1.00 0.00 C ATOM 1812 CG LYS A 117 -8.162 13.267 -5.906 1.00 0.00 C ATOM 1813 CD LYS A 117 -8.737 14.084 -7.051 1.00 0.00 C ATOM 1814 CE LYS A 117 -10.159 13.657 -7.381 1.00 0.00 C ATOM 1815 NZ LYS A 117 -10.595 14.161 -8.712 1.00 0.00 N ATOM 0 H LYS A 117 -7.344 10.760 -5.664 1.00 0.00 H new ATOM 0 HA LYS A 117 -6.473 12.234 -7.975 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -6.234 12.960 -5.034 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -6.238 14.058 -6.400 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -8.623 12.279 -5.895 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -8.408 13.744 -4.958 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -8.726 15.141 -6.787 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -8.107 13.969 -7.933 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -10.224 12.569 -7.366 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -10.837 14.028 -6.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -11.569 13.849 -8.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -10.557 15.200 -8.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -9.964 13.787 -9.449 1.00 0.00 H new ATOM 1829 N LYS A 118 -4.291 10.830 -6.029 1.00 0.00 N ATOM 1830 CA LYS A 118 -2.873 10.540 -5.851 1.00 0.00 C ATOM 1831 C LYS A 118 -2.101 11.804 -5.484 1.00 0.00 C ATOM 1832 O LYS A 118 -0.902 11.907 -5.742 1.00 0.00 O ATOM 1833 CB LYS A 118 -2.293 9.928 -7.127 1.00 0.00 C ATOM 1834 CG LYS A 118 -2.393 8.413 -7.175 1.00 0.00 C ATOM 1835 CD LYS A 118 -1.822 7.857 -8.469 1.00 0.00 C ATOM 1836 CE LYS A 118 -2.245 6.412 -8.689 1.00 0.00 C ATOM 1837 NZ LYS A 118 -2.252 6.051 -10.134 1.00 0.00 N ATOM 0 H LYS A 118 -4.914 10.243 -5.474 1.00 0.00 H new ATOM 0 HA LYS A 118 -2.774 9.825 -5.035 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -2.813 10.346 -7.989 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.246 10.218 -7.215 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -1.858 7.985 -6.327 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -3.436 8.113 -7.078 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.157 8.467 -9.308 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -0.734 7.919 -8.444 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -1.567 5.749 -8.152 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -3.240 6.257 -8.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -2.545 5.059 -10.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -2.918 6.667 -10.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -1.297 6.175 -10.527 1.00 0.00 H new ATOM 1851 N ARG A 119 -2.797 12.762 -4.880 1.00 0.00 N ATOM 1852 CA ARG A 119 -2.176 14.018 -4.478 1.00 0.00 C ATOM 1853 C ARG A 119 -0.742 13.791 -4.009 1.00 0.00 C ATOM 1854 O ARG A 119 0.211 14.205 -4.670 1.00 0.00 O ATOM 1855 CB ARG A 119 -2.989 14.680 -3.364 1.00 0.00 C ATOM 1856 CG ARG A 119 -2.885 16.196 -3.351 1.00 0.00 C ATOM 1857 CD ARG A 119 -4.151 16.838 -2.807 1.00 0.00 C ATOM 1858 NE ARG A 119 -4.114 18.294 -2.908 1.00 0.00 N ATOM 1859 CZ ARG A 119 -5.201 19.058 -2.910 1.00 0.00 C ATOM 1860 NH1 ARG A 119 -6.403 18.508 -2.817 1.00 0.00 N ATOM 1861 NH2 ARG A 119 -5.085 20.377 -3.005 1.00 0.00 N ATOM 0 H ARG A 119 -3.790 12.692 -4.659 1.00 0.00 H new ATOM 0 HA ARG A 119 -2.156 14.678 -5.346 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.036 14.397 -3.473 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -2.653 14.293 -2.402 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.033 16.498 -2.742 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -2.698 16.557 -4.362 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -5.014 16.459 -3.355 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -4.284 16.550 -1.764 1.00 0.00 H new ATOM 0 HE ARG A 119 -3.204 18.749 -2.981 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -6.496 17.495 -2.744 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -7.235 19.098 -2.819 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -4.161 20.804 -3.076 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -5.919 20.964 -3.007 1.00 0.00 H new ATOM 1875 N TRP A 120 -0.597 13.131 -2.865 1.00 0.00 N ATOM 1876 CA TRP A 120 0.721 12.850 -2.308 1.00 0.00 C ATOM 1877 C TRP A 120 1.248 11.509 -2.807 1.00 0.00 C ATOM 1878 O TRP A 120 1.664 10.661 -2.017 1.00 0.00 O ATOM 1879 CB TRP A 120 0.662 12.851 -0.779 1.00 0.00 C ATOM 1880 CG TRP A 120 -0.236 13.913 -0.221 1.00 0.00 C ATOM 1881 CD1 TRP A 120 0.108 15.198 0.089 1.00 0.00 C ATOM 1882 CD2 TRP A 120 -1.626 13.781 0.096 1.00 0.00 C ATOM 1883 NE1 TRP A 120 -0.985 15.872 0.579 1.00 0.00 N ATOM 1884 CE2 TRP A 120 -2.061 15.025 0.592 1.00 0.00 C ATOM 1885 CE3 TRP A 120 -2.547 12.733 0.006 1.00 0.00 C ATOM 1886 CZ2 TRP A 120 -3.374 15.247 0.998 1.00 0.00 C ATOM 1887 CZ3 TRP A 120 -3.850 12.954 0.409 1.00 0.00 C ATOM 1888 CH2 TRP A 120 -4.254 14.203 0.899 1.00 0.00 C ATOM 0 H TRP A 120 -1.375 12.781 -2.306 1.00 0.00 H new ATOM 0 HA TRP A 120 1.403 13.634 -2.639 1.00 0.00 H new ATOM 0 HB2 TRP A 120 0.317 11.876 -0.435 1.00 0.00 H new ATOM 0 HB3 TRP A 120 1.668 12.991 -0.384 1.00 0.00 H new ATOM 0 HD1 TRP A 120 1.094 15.622 -0.033 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -0.993 16.845 0.884 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -2.245 11.767 -0.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -3.687 16.208 1.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -4.569 12.151 0.345 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -5.280 14.345 1.205 1.00 0.00 H new ATOM 1899 N TYR A 121 1.227 11.323 -4.122 1.00 0.00 N ATOM 1900 CA TYR A 121 1.701 10.083 -4.726 1.00 0.00 C ATOM 1901 C TYR A 121 3.155 10.214 -5.170 1.00 0.00 C ATOM 1902 O TYR A 121 3.442 10.723 -6.254 1.00 0.00 O ATOM 1903 CB TYR A 121 0.824 9.705 -5.920 1.00 0.00 C ATOM 1904 CG TYR A 121 1.384 8.571 -6.749 1.00 0.00 C ATOM 1905 CD1 TYR A 121 1.781 7.380 -6.153 1.00 0.00 C ATOM 1906 CD2 TYR A 121 1.515 8.690 -8.127 1.00 0.00 C ATOM 1907 CE1 TYR A 121 2.295 6.341 -6.906 1.00 0.00 C ATOM 1908 CE2 TYR A 121 2.026 7.656 -8.888 1.00 0.00 C ATOM 1909 CZ TYR A 121 2.415 6.484 -8.273 1.00 0.00 C ATOM 1910 OH TYR A 121 2.924 5.452 -9.027 1.00 0.00 O ATOM 0 H TYR A 121 0.887 12.015 -4.790 1.00 0.00 H new ATOM 0 HA TYR A 121 1.639 9.296 -3.974 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -0.166 9.425 -5.559 1.00 0.00 H new ATOM 0 HB3 TYR A 121 0.695 10.580 -6.557 1.00 0.00 H new ATOM 0 HD1 TYR A 121 1.686 7.264 -5.083 1.00 0.00 H new ATOM 0 HD2 TYR A 121 1.212 9.606 -8.612 1.00 0.00 H new ATOM 0 HE1 TYR A 121 2.601 5.423 -6.427 1.00 0.00 H new ATOM 0 HE2 TYR A 121 2.120 7.765 -9.958 1.00 0.00 H new ATOM 0 HH TYR A 121 2.941 5.714 -9.971 1.00 0.00 H new ATOM 1920 N VAL A 122 4.070 9.751 -4.324 1.00 0.00 N ATOM 1921 CA VAL A 122 5.494 9.814 -4.629 1.00 0.00 C ATOM 1922 C VAL A 122 6.117 8.422 -4.632 1.00 0.00 C ATOM 1923 O VAL A 122 6.452 7.862 -3.589 1.00 0.00 O ATOM 1924 CB VAL A 122 6.246 10.698 -3.616 1.00 0.00 C ATOM 1925 CG1 VAL A 122 7.749 10.547 -3.788 1.00 0.00 C ATOM 1926 CG2 VAL A 122 5.827 12.153 -3.766 1.00 0.00 C ATOM 0 H VAL A 122 3.850 9.328 -3.422 1.00 0.00 H new ATOM 0 HA VAL A 122 5.586 10.253 -5.622 1.00 0.00 H new ATOM 0 HB VAL A 122 5.985 10.370 -2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 122 8.263 11.179 -3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 122 8.031 9.507 -3.627 1.00 0.00 H new ATOM 0 HG13 VAL A 122 8.032 10.847 -4.797 1.00 0.00 H new ATOM 0 HG21 VAL A 122 6.368 12.764 -3.043 1.00 0.00 H new ATOM 0 HG22 VAL A 122 6.057 12.496 -4.775 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.755 12.243 -3.588 1.00 0.00 H new ATOM 1936 N PRO A 123 6.279 7.850 -5.835 1.00 0.00 N ATOM 1937 CA PRO A 123 6.864 6.516 -6.004 1.00 0.00 C ATOM 1938 C PRO A 123 8.355 6.493 -5.684 1.00 0.00 C ATOM 1939 O PRO A 123 9.060 7.493 -5.821 1.00 0.00 O ATOM 1940 CB PRO A 123 6.631 6.212 -7.486 1.00 0.00 C ATOM 1941 CG PRO A 123 6.535 7.549 -8.137 1.00 0.00 C ATOM 1942 CD PRO A 123 5.903 8.460 -7.121 1.00 0.00 C ATOM 0 HA PRO A 123 6.417 5.786 -5.329 1.00 0.00 H new ATOM 0 HB2 PRO A 123 7.450 5.626 -7.903 1.00 0.00 H new ATOM 0 HB3 PRO A 123 5.719 5.634 -7.633 1.00 0.00 H new ATOM 0 HG2 PRO A 123 7.520 7.913 -8.428 1.00 0.00 H new ATOM 0 HG3 PRO A 123 5.933 7.499 -9.044 1.00 0.00 H new ATOM 0 HD2 PRO A 123 6.278 9.480 -7.207 1.00 0.00 H new ATOM 0 HD3 PRO A 123 4.821 8.508 -7.242 1.00 0.00 H new ATOM 1950 N PRO A 124 8.848 5.324 -5.247 1.00 0.00 N ATOM 1951 CA PRO A 124 10.261 5.142 -4.899 1.00 0.00 C ATOM 1952 C PRO A 124 11.169 5.181 -6.124 1.00 0.00 C ATOM 1953 O PRO A 124 12.323 5.599 -6.038 1.00 0.00 O ATOM 1954 CB PRO A 124 10.291 3.755 -4.254 1.00 0.00 C ATOM 1955 CG PRO A 124 9.119 3.042 -4.834 1.00 0.00 C ATOM 1956 CD PRO A 124 8.066 4.091 -5.060 1.00 0.00 C ATOM 0 HA PRO A 124 10.627 5.937 -4.249 1.00 0.00 H new ATOM 0 HB2 PRO A 124 11.222 3.234 -4.478 1.00 0.00 H new ATOM 0 HB3 PRO A 124 10.216 3.821 -3.169 1.00 0.00 H new ATOM 0 HG2 PRO A 124 9.386 2.549 -5.769 1.00 0.00 H new ATOM 0 HG3 PRO A 124 8.759 2.267 -4.157 1.00 0.00 H new ATOM 0 HD2 PRO A 124 7.456 3.866 -5.934 1.00 0.00 H new ATOM 0 HD3 PRO A 124 7.388 4.170 -4.210 1.00 0.00 H new ATOM 1964 N GLU A 125 10.639 4.742 -7.261 1.00 0.00 N ATOM 1965 CA GLU A 125 11.404 4.726 -8.503 1.00 0.00 C ATOM 1966 C GLU A 125 12.163 6.037 -8.691 1.00 0.00 C ATOM 1967 O GLU A 125 13.237 6.063 -9.290 1.00 0.00 O ATOM 1968 CB GLU A 125 10.477 4.485 -9.696 1.00 0.00 C ATOM 1969 CG GLU A 125 9.728 5.728 -10.146 1.00 0.00 C ATOM 1970 CD GLU A 125 9.095 5.564 -11.514 1.00 0.00 C ATOM 1971 OE1 GLU A 125 8.632 4.447 -11.824 1.00 0.00 O ATOM 1972 OE2 GLU A 125 9.063 6.554 -12.275 1.00 0.00 O ATOM 0 H GLU A 125 9.684 4.393 -7.348 1.00 0.00 H new ATOM 0 HA GLU A 125 12.127 3.912 -8.444 1.00 0.00 H new ATOM 0 HB2 GLU A 125 11.065 4.103 -10.531 1.00 0.00 H new ATOM 0 HB3 GLU A 125 9.755 3.711 -9.434 1.00 0.00 H new ATOM 0 HG2 GLU A 125 8.953 5.964 -9.417 1.00 0.00 H new ATOM 0 HG3 GLU A 125 10.415 6.574 -10.167 1.00 0.00 H new ATOM 1979 N GLN A 126 11.594 7.122 -8.176 1.00 0.00 N ATOM 1980 CA GLN A 126 12.216 8.436 -8.288 1.00 0.00 C ATOM 1981 C GLN A 126 12.849 8.854 -6.965 1.00 0.00 C ATOM 1982 O GLN A 126 13.946 9.412 -6.940 1.00 0.00 O ATOM 1983 CB GLN A 126 11.183 9.477 -8.723 1.00 0.00 C ATOM 1984 CG GLN A 126 11.735 10.892 -8.789 1.00 0.00 C ATOM 1985 CD GLN A 126 12.485 11.166 -10.077 1.00 0.00 C ATOM 1986 OE1 GLN A 126 13.634 10.752 -10.241 1.00 0.00 O ATOM 1987 NE2 GLN A 126 11.839 11.867 -11.002 1.00 0.00 N ATOM 0 H GLN A 126 10.704 7.117 -7.678 1.00 0.00 H new ATOM 0 HA GLN A 126 13.001 8.375 -9.042 1.00 0.00 H new ATOM 0 HB2 GLN A 126 10.793 9.202 -9.703 1.00 0.00 H new ATOM 0 HB3 GLN A 126 10.343 9.456 -8.028 1.00 0.00 H new ATOM 0 HG2 GLN A 126 10.914 11.603 -8.693 1.00 0.00 H new ATOM 0 HG3 GLN A 126 12.401 11.058 -7.943 1.00 0.00 H new ATOM 0 HE21 GLN A 126 10.888 12.191 -10.825 1.00 0.00 H new ATOM 0 HE22 GLN A 126 12.294 12.082 -11.889 1.00 0.00 H new