USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 621 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 7 MET CE :methyl 151:sc= -0.0418 (180deg=-0.243) USER MOD Set 1.2: A 57 MET CE :methyl -147:sc= -2.38 (180deg=-4.03!) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.209 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -164:sc= -0.0164 (180deg=-0.347) USER MOD Single : A 8 LYS NZ :NH3+ -156:sc= 1.07 (180deg=0.918) USER MOD Single : A 12 MET CE :methyl -159:sc= -0.073 (180deg=-1.25) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.493 USER MOD Single : A 14 CYS SG : rot 180:sc= -0.106 USER MOD Single : A 15 HIS : no HD1:sc=-0.00127 X(o=-0.0013,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -132:sc= 0.247 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0399 K(o=-0.04,f=-1.4!) USER MOD Single : A 32 GLN : amide:sc= -0.0425 X(o=-0.043,f=-0.043) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 41 GLN : amide:sc= 0.362 K(o=0.36,f=-0.24) USER MOD Single : A 44 THR OG1 : rot -47:sc= 0.9 USER MOD Single : A 47 TYR OH : rot 111:sc= 1.04 USER MOD Single : A 48 GLN : amide:sc=-0.00813 X(o=-0.0081,f=-0.39) USER MOD Single : A 50 HIS : no HE2:sc= 0.974 K(o=0.97,f=-3!) USER MOD Single : A 53 SER OG : rot 91:sc= 1.32 USER MOD Single : A 58 LYS NZ :NH3+ 134:sc= 1.93 (180deg=-2.51!) USER MOD Single : A 59 LYS NZ :NH3+ 156:sc= 1.25 (180deg=1.03) USER MOD Single : A 60 GLN : amide:sc= 0.415 K(o=0.42,f=-2!) USER MOD Single : A 64 MET CE :methyl -175:sc= 0 (180deg=-0.0185) USER MOD Single : A 71 LYS NZ :NH3+ -154:sc= 1.13 (180deg=0.457) USER MOD Single : A 72 LYS NZ :NH3+ -159:sc= 0.755 (180deg=0.496) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.947 11.340 8.894 1.00 0.00 N ATOM 2 CA GLY A 1 -9.984 10.909 7.870 1.00 0.00 C ATOM 3 C GLY A 1 -9.055 9.874 8.487 1.00 0.00 C ATOM 4 O GLY A 1 -9.101 9.697 9.704 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.911 11.096 8.589 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.737 10.860 9.792 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.876 12.369 9.026 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.507 10.485 7.013 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.412 11.762 7.505 1.00 0.00 H new ATOM 10 N GLU A 2 -8.254 9.207 7.660 1.00 0.00 N ATOM 11 CA GLU A 2 -7.386 8.112 8.056 1.00 0.00 C ATOM 12 C GLU A 2 -5.920 8.506 7.840 1.00 0.00 C ATOM 13 O GLU A 2 -5.644 9.599 7.346 1.00 0.00 O ATOM 14 CB GLU A 2 -7.845 6.872 7.283 1.00 0.00 C ATOM 15 CG GLU A 2 -9.059 6.258 7.997 1.00 0.00 C ATOM 16 CD GLU A 2 -9.909 5.427 7.058 1.00 0.00 C ATOM 17 OE1 GLU A 2 -9.302 4.646 6.298 1.00 0.00 O ATOM 18 OE2 GLU A 2 -11.141 5.628 7.086 1.00 0.00 O ATOM 0 H GLU A 2 -8.193 9.424 6.665 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.454 7.879 9.119 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.107 7.142 6.260 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.036 6.144 7.224 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.717 5.635 8.823 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -9.667 7.054 8.428 1.00 0.00 H new ATOM 25 N VAL A 3 -4.988 7.656 8.273 1.00 0.00 N ATOM 26 CA VAL A 3 -3.574 7.964 8.368 1.00 0.00 C ATOM 27 C VAL A 3 -2.893 7.421 7.115 1.00 0.00 C ATOM 28 O VAL A 3 -3.397 6.499 6.478 1.00 0.00 O ATOM 29 CB VAL A 3 -3.015 7.343 9.657 1.00 0.00 C ATOM 30 CG1 VAL A 3 -1.507 7.585 9.817 1.00 0.00 C ATOM 31 CG2 VAL A 3 -3.728 7.904 10.896 1.00 0.00 C ATOM 0 H VAL A 3 -5.211 6.707 8.575 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.392 9.037 8.420 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.193 6.271 9.574 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.161 7.126 10.743 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.976 7.144 8.973 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.312 8.657 9.848 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.312 7.447 11.794 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.586 8.984 10.940 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.793 7.680 10.835 1.00 0.00 H new ATOM 41 N VAL A 4 -1.797 8.074 6.731 1.00 0.00 N ATOM 42 CA VAL A 4 -1.065 7.856 5.504 1.00 0.00 C ATOM 43 C VAL A 4 0.134 6.930 5.747 1.00 0.00 C ATOM 44 O VAL A 4 1.006 7.239 6.559 1.00 0.00 O ATOM 45 CB VAL A 4 -0.636 9.231 4.962 1.00 0.00 C ATOM 46 CG1 VAL A 4 0.421 9.086 3.868 1.00 0.00 C ATOM 47 CG2 VAL A 4 -1.847 9.989 4.401 1.00 0.00 C ATOM 0 H VAL A 4 -1.381 8.807 7.305 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.691 7.358 4.764 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.208 9.794 5.792 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.705 10.073 3.504 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.298 8.583 4.274 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.014 8.499 3.045 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.525 10.959 4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.293 9.413 3.591 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.583 10.134 5.191 1.00 0.00 H new ATOM 57 N LEU A 5 0.218 5.859 4.956 1.00 0.00 N ATOM 58 CA LEU A 5 1.349 4.949 4.853 1.00 0.00 C ATOM 59 C LEU A 5 2.114 5.283 3.566 1.00 0.00 C ATOM 60 O LEU A 5 1.508 5.783 2.615 1.00 0.00 O ATOM 61 CB LEU A 5 0.800 3.522 4.824 1.00 0.00 C ATOM 62 CG LEU A 5 1.926 2.481 4.711 1.00 0.00 C ATOM 63 CD1 LEU A 5 1.875 1.448 5.829 1.00 0.00 C ATOM 64 CD2 LEU A 5 1.926 1.797 3.350 1.00 0.00 C ATOM 0 H LEU A 5 -0.548 5.593 4.337 1.00 0.00 H new ATOM 0 HA LEU A 5 2.032 5.046 5.697 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.222 3.336 5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.117 3.412 3.982 1.00 0.00 H new ATOM 0 HG LEU A 5 2.861 3.031 4.816 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.691 0.736 5.704 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.975 1.949 6.792 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.923 0.919 5.792 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.736 1.069 3.309 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.973 1.290 3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.069 2.543 2.568 1.00 0.00 H new ATOM 76 N LYS A 6 3.423 4.991 3.511 1.00 0.00 N ATOM 77 CA LYS A 6 4.202 4.923 2.280 1.00 0.00 C ATOM 78 C LYS A 6 4.893 3.550 2.197 1.00 0.00 C ATOM 79 O LYS A 6 5.590 3.159 3.139 1.00 0.00 O ATOM 80 CB LYS A 6 5.191 6.087 2.218 1.00 0.00 C ATOM 81 CG LYS A 6 5.775 6.195 0.806 1.00 0.00 C ATOM 82 CD LYS A 6 5.790 7.626 0.270 1.00 0.00 C ATOM 83 CE LYS A 6 6.920 8.485 0.854 1.00 0.00 C ATOM 84 NZ LYS A 6 6.615 8.965 2.212 1.00 0.00 N ATOM 0 H LYS A 6 3.975 4.792 4.345 1.00 0.00 H new ATOM 0 HA LYS A 6 3.551 5.020 1.411 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.690 7.017 2.487 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.991 5.935 2.942 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.793 5.804 0.810 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.195 5.567 0.130 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.889 7.598 -0.815 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.833 8.099 0.491 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.841 7.903 0.876 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.098 9.339 0.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.259 9.744 2.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.632 9.304 2.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.738 8.187 2.891 1.00 0.00 H new ATOM 98 N MET A 7 4.696 2.830 1.087 1.00 0.00 N ATOM 99 CA MET A 7 5.274 1.516 0.808 1.00 0.00 C ATOM 100 C MET A 7 6.115 1.552 -0.469 1.00 0.00 C ATOM 101 O MET A 7 5.930 2.429 -1.310 1.00 0.00 O ATOM 102 CB MET A 7 4.167 0.464 0.643 1.00 0.00 C ATOM 103 CG MET A 7 3.101 0.900 -0.367 1.00 0.00 C ATOM 104 SD MET A 7 2.119 -0.429 -1.099 1.00 0.00 S ATOM 105 CE MET A 7 1.544 -1.286 0.378 1.00 0.00 C ATOM 0 H MET A 7 4.103 3.164 0.327 1.00 0.00 H new ATOM 0 HA MET A 7 5.910 1.250 1.652 1.00 0.00 H new ATOM 0 HB2 MET A 7 4.609 -0.478 0.319 1.00 0.00 H new ATOM 0 HB3 MET A 7 3.696 0.280 1.609 1.00 0.00 H new ATOM 0 HG2 MET A 7 2.424 1.597 0.127 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.592 1.448 -1.171 1.00 0.00 H new ATOM 0 HE1 MET A 7 0.583 -1.757 0.174 1.00 0.00 H new ATOM 0 HE2 MET A 7 2.269 -2.049 0.662 1.00 0.00 H new ATOM 0 HE3 MET A 7 1.432 -0.571 1.193 1.00 0.00 H new ATOM 115 N LYS A 8 6.979 0.547 -0.619 1.00 0.00 N ATOM 116 CA LYS A 8 7.674 0.179 -1.842 1.00 0.00 C ATOM 117 C LYS A 8 6.931 -0.989 -2.492 1.00 0.00 C ATOM 118 O LYS A 8 6.601 -1.967 -1.816 1.00 0.00 O ATOM 119 CB LYS A 8 9.109 -0.259 -1.511 1.00 0.00 C ATOM 120 CG LYS A 8 10.122 0.882 -1.631 1.00 0.00 C ATOM 121 CD LYS A 8 10.384 1.272 -3.098 1.00 0.00 C ATOM 122 CE LYS A 8 11.840 1.699 -3.337 1.00 0.00 C ATOM 123 NZ LYS A 8 12.777 0.556 -3.303 1.00 0.00 N ATOM 0 H LYS A 8 7.223 -0.065 0.160 1.00 0.00 H new ATOM 0 HA LYS A 8 7.706 1.032 -2.519 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.137 -0.658 -0.497 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.400 -1.069 -2.180 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.755 1.751 -1.085 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.060 0.584 -1.162 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.145 0.428 -3.744 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.718 2.088 -3.379 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.915 2.198 -4.303 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.131 2.426 -2.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.730 0.895 -3.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.462 -0.130 -2.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.799 0.097 -4.236 1.00 0.00 H new ATOM 137 N VAL A 9 6.718 -0.885 -3.804 1.00 0.00 N ATOM 138 CA VAL A 9 6.132 -1.900 -4.666 1.00 0.00 C ATOM 139 C VAL A 9 7.218 -2.302 -5.671 1.00 0.00 C ATOM 140 O VAL A 9 7.173 -1.941 -6.846 1.00 0.00 O ATOM 141 CB VAL A 9 4.856 -1.334 -5.323 1.00 0.00 C ATOM 142 CG1 VAL A 9 4.106 -2.424 -6.101 1.00 0.00 C ATOM 143 CG2 VAL A 9 3.905 -0.756 -4.265 1.00 0.00 C ATOM 0 H VAL A 9 6.966 -0.040 -4.319 1.00 0.00 H new ATOM 0 HA VAL A 9 5.817 -2.791 -4.123 1.00 0.00 H new ATOM 0 HB VAL A 9 5.172 -0.546 -6.007 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.211 -1.997 -6.554 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.753 -2.824 -6.882 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.821 -3.226 -5.420 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.013 -0.363 -4.753 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.620 -1.541 -3.565 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.406 0.047 -3.725 1.00 0.00 H new ATOM 153 N GLU A 10 8.235 -3.011 -5.176 1.00 0.00 N ATOM 154 CA GLU A 10 9.351 -3.490 -5.980 1.00 0.00 C ATOM 155 C GLU A 10 8.944 -4.719 -6.794 1.00 0.00 C ATOM 156 O GLU A 10 7.838 -5.247 -6.661 1.00 0.00 O ATOM 157 CB GLU A 10 10.535 -3.809 -5.052 1.00 0.00 C ATOM 158 CG GLU A 10 11.249 -2.528 -4.612 1.00 0.00 C ATOM 159 CD GLU A 10 12.253 -2.033 -5.645 1.00 0.00 C ATOM 160 OE1 GLU A 10 12.229 -2.524 -6.796 1.00 0.00 O ATOM 161 OE2 GLU A 10 13.018 -1.130 -5.244 1.00 0.00 O ATOM 0 H GLU A 10 8.303 -3.270 -4.192 1.00 0.00 H new ATOM 0 HA GLU A 10 9.649 -2.716 -6.687 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.179 -4.350 -4.175 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.239 -4.463 -5.567 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.509 -1.749 -4.427 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.763 -2.709 -3.668 1.00 0.00 H new ATOM 168 N GLY A 11 9.851 -5.173 -7.661 1.00 0.00 N ATOM 169 CA GLY A 11 9.714 -6.431 -8.382 1.00 0.00 C ATOM 170 C GLY A 11 8.764 -6.333 -9.574 1.00 0.00 C ATOM 171 O GLY A 11 9.131 -6.749 -10.669 1.00 0.00 O ATOM 0 H GLY A 11 10.710 -4.669 -7.882 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.695 -6.752 -8.731 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.352 -7.198 -7.698 1.00 0.00 H new ATOM 175 N MET A 12 7.556 -5.797 -9.360 1.00 0.00 N ATOM 176 CA MET A 12 6.528 -5.578 -10.373 1.00 0.00 C ATOM 177 C MET A 12 7.134 -5.081 -11.687 1.00 0.00 C ATOM 178 O MET A 12 6.932 -5.691 -12.735 1.00 0.00 O ATOM 179 CB MET A 12 5.491 -4.576 -9.836 1.00 0.00 C ATOM 180 CG MET A 12 4.133 -5.226 -9.559 1.00 0.00 C ATOM 181 SD MET A 12 3.316 -5.944 -11.013 1.00 0.00 S ATOM 182 CE MET A 12 1.693 -6.345 -10.330 1.00 0.00 C ATOM 0 H MET A 12 7.260 -5.492 -8.433 1.00 0.00 H new ATOM 0 HA MET A 12 6.038 -6.528 -10.585 1.00 0.00 H new ATOM 0 HB2 MET A 12 5.868 -4.126 -8.918 1.00 0.00 H new ATOM 0 HB3 MET A 12 5.363 -3.769 -10.558 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.267 -6.009 -8.813 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.472 -4.478 -9.121 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.215 -7.105 -10.949 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.809 -6.724 -9.315 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.073 -5.448 -10.314 1.00 0.00 H new ATOM 192 N THR A 13 7.879 -3.975 -11.592 1.00 0.00 N ATOM 193 CA THR A 13 8.556 -3.298 -12.690 1.00 0.00 C ATOM 194 C THR A 13 7.640 -3.012 -13.889 1.00 0.00 C ATOM 195 O THR A 13 6.421 -3.154 -13.809 1.00 0.00 O ATOM 196 CB THR A 13 9.900 -3.973 -13.033 1.00 0.00 C ATOM 197 OG1 THR A 13 10.686 -3.097 -13.820 1.00 0.00 O ATOM 198 CG2 THR A 13 9.753 -5.292 -13.784 1.00 0.00 C ATOM 0 H THR A 13 8.031 -3.508 -10.698 1.00 0.00 H new ATOM 0 HA THR A 13 8.821 -2.299 -12.342 1.00 0.00 H new ATOM 0 HB THR A 13 10.377 -4.194 -12.078 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.540 -3.527 -14.035 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.740 -5.706 -13.989 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.184 -5.995 -13.176 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.229 -5.119 -14.724 1.00 0.00 H new ATOM 206 N CYS A 14 8.257 -2.573 -14.990 1.00 0.00 N ATOM 207 CA CYS A 14 7.618 -2.217 -16.252 1.00 0.00 C ATOM 208 C CYS A 14 6.706 -0.997 -16.113 1.00 0.00 C ATOM 209 O CYS A 14 6.239 -0.672 -15.026 1.00 0.00 O ATOM 210 CB CYS A 14 6.887 -3.424 -16.848 1.00 0.00 C ATOM 211 SG CYS A 14 6.574 -3.137 -18.604 1.00 0.00 S ATOM 0 H CYS A 14 9.269 -2.451 -15.022 1.00 0.00 H new ATOM 0 HA CYS A 14 8.402 -1.928 -16.952 1.00 0.00 H new ATOM 0 HB2 CYS A 14 7.486 -4.325 -16.718 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.946 -3.588 -16.323 1.00 0.00 H new ATOM 0 HG CYS A 14 5.956 -4.163 -19.108 1.00 0.00 H new ATOM 217 N HIS A 15 6.447 -0.275 -17.205 1.00 0.00 N ATOM 218 CA HIS A 15 5.738 0.997 -17.151 1.00 0.00 C ATOM 219 C HIS A 15 4.215 0.810 -17.033 1.00 0.00 C ATOM 220 O HIS A 15 3.450 1.557 -17.637 1.00 0.00 O ATOM 221 CB HIS A 15 6.166 1.863 -18.352 1.00 0.00 C ATOM 222 CG HIS A 15 6.547 3.267 -17.957 1.00 0.00 C ATOM 223 ND1 HIS A 15 5.890 4.427 -18.301 1.00 0.00 N ATOM 224 CD2 HIS A 15 7.653 3.613 -17.228 1.00 0.00 C ATOM 225 CE1 HIS A 15 6.595 5.452 -17.786 1.00 0.00 C ATOM 226 NE2 HIS A 15 7.679 5.004 -17.135 1.00 0.00 N ATOM 0 H HIS A 15 6.723 -0.557 -18.146 1.00 0.00 H new ATOM 0 HA HIS A 15 6.015 1.529 -16.241 1.00 0.00 H new ATOM 0 HB2 HIS A 15 7.011 1.390 -18.852 1.00 0.00 H new ATOM 0 HB3 HIS A 15 5.350 1.903 -19.074 1.00 0.00 H new ATOM 0 HD2 HIS A 15 8.375 2.932 -16.802 1.00 0.00 H new ATOM 0 HE1 HIS A 15 6.325 6.493 -17.884 1.00 0.00 H new ATOM 0 HE2 HIS A 15 8.385 5.570 -16.664 1.00 0.00 H new ATOM 234 N SER A 16 3.766 -0.173 -16.241 1.00 0.00 N ATOM 235 CA SER A 16 2.365 -0.440 -15.950 1.00 0.00 C ATOM 236 C SER A 16 2.273 -1.489 -14.841 1.00 0.00 C ATOM 237 O SER A 16 2.565 -2.659 -15.077 1.00 0.00 O ATOM 238 CB SER A 16 1.661 -0.937 -17.211 1.00 0.00 C ATOM 239 OG SER A 16 0.289 -1.177 -16.959 1.00 0.00 O ATOM 0 H SER A 16 4.397 -0.823 -15.772 1.00 0.00 H new ATOM 0 HA SER A 16 1.877 0.476 -15.618 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.766 -0.199 -18.006 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.137 -1.853 -17.562 1.00 0.00 H new ATOM 0 HG SER A 16 -0.144 -1.493 -17.779 1.00 0.00 H new ATOM 245 N CYS A 17 1.871 -1.060 -13.642 1.00 0.00 N ATOM 246 CA CYS A 17 1.786 -1.875 -12.428 1.00 0.00 C ATOM 247 C CYS A 17 1.311 -0.980 -11.293 1.00 0.00 C ATOM 248 O CYS A 17 1.939 -0.884 -10.243 1.00 0.00 O ATOM 249 CB CYS A 17 3.127 -2.529 -12.077 1.00 0.00 C ATOM 250 SG CYS A 17 4.460 -1.312 -11.962 1.00 0.00 S ATOM 0 H CYS A 17 1.584 -0.094 -13.484 1.00 0.00 H new ATOM 0 HA CYS A 17 1.081 -2.690 -12.594 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.036 -3.058 -11.129 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.378 -3.272 -12.834 1.00 0.00 H new ATOM 0 HG CYS A 17 5.485 -1.725 -12.646 1.00 0.00 H new ATOM 256 N THR A 18 0.186 -0.301 -11.518 1.00 0.00 N ATOM 257 CA THR A 18 -0.373 0.633 -10.560 1.00 0.00 C ATOM 258 C THR A 18 -1.849 0.309 -10.377 1.00 0.00 C ATOM 259 O THR A 18 -2.226 -0.264 -9.365 1.00 0.00 O ATOM 260 CB THR A 18 -0.135 2.070 -11.060 1.00 0.00 C ATOM 261 OG1 THR A 18 -0.743 2.252 -12.329 1.00 0.00 O ATOM 262 CG2 THR A 18 1.359 2.359 -11.232 1.00 0.00 C ATOM 0 H THR A 18 -0.360 -0.389 -12.375 1.00 0.00 H new ATOM 0 HA THR A 18 0.110 0.547 -9.587 1.00 0.00 H new ATOM 0 HB THR A 18 -0.563 2.742 -10.316 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.588 3.169 -12.638 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.493 3.381 -11.586 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.866 2.237 -10.275 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.783 1.665 -11.958 1.00 0.00 H new ATOM 270 N SER A 19 -2.689 0.632 -11.361 1.00 0.00 N ATOM 271 CA SER A 19 -4.142 0.545 -11.233 1.00 0.00 C ATOM 272 C SER A 19 -4.618 -0.804 -10.697 1.00 0.00 C ATOM 273 O SER A 19 -5.466 -0.856 -9.807 1.00 0.00 O ATOM 274 CB SER A 19 -4.808 0.932 -12.558 1.00 0.00 C ATOM 275 OG SER A 19 -6.216 0.936 -12.430 1.00 0.00 O ATOM 0 H SER A 19 -2.377 0.963 -12.274 1.00 0.00 H new ATOM 0 HA SER A 19 -4.455 1.264 -10.476 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.464 1.918 -12.869 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.511 0.231 -13.338 1.00 0.00 H new ATOM 0 HG SER A 19 -6.622 1.187 -13.286 1.00 0.00 H new ATOM 281 N THR A 20 -4.022 -1.891 -11.185 1.00 0.00 N ATOM 282 CA THR A 20 -4.196 -3.215 -10.614 1.00 0.00 C ATOM 283 C THR A 20 -4.055 -3.195 -9.088 1.00 0.00 C ATOM 284 O THR A 20 -4.970 -3.595 -8.369 1.00 0.00 O ATOM 285 CB THR A 20 -3.203 -4.168 -11.304 1.00 0.00 C ATOM 286 OG1 THR A 20 -3.782 -4.649 -12.498 1.00 0.00 O ATOM 287 CG2 THR A 20 -2.780 -5.344 -10.429 1.00 0.00 C ATOM 0 H THR A 20 -3.401 -1.872 -11.994 1.00 0.00 H new ATOM 0 HA THR A 20 -5.208 -3.576 -10.796 1.00 0.00 H new ATOM 0 HB THR A 20 -2.298 -3.595 -11.508 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.155 -5.256 -12.944 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.080 -5.973 -10.979 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.299 -4.970 -9.525 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.658 -5.929 -10.157 1.00 0.00 H new ATOM 295 N ILE A 21 -2.905 -2.739 -8.593 1.00 0.00 N ATOM 296 CA ILE A 21 -2.642 -2.597 -7.178 1.00 0.00 C ATOM 297 C ILE A 21 -3.673 -1.662 -6.554 1.00 0.00 C ATOM 298 O ILE A 21 -4.252 -2.025 -5.539 1.00 0.00 O ATOM 299 CB ILE A 21 -1.182 -2.143 -7.007 1.00 0.00 C ATOM 300 CG1 ILE A 21 -0.244 -3.334 -7.254 1.00 0.00 C ATOM 301 CG2 ILE A 21 -0.878 -1.492 -5.659 1.00 0.00 C ATOM 302 CD1 ILE A 21 0.740 -3.026 -8.376 1.00 0.00 C ATOM 0 H ILE A 21 -2.122 -2.455 -9.182 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.748 -3.541 -6.644 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.013 -1.361 -7.748 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.302 -3.568 -6.340 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.830 -4.217 -7.510 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.172 -1.202 -5.623 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.503 -0.608 -5.533 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.086 -2.201 -4.857 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.394 -3.884 -8.532 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.191 -2.816 -9.294 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.340 -2.157 -8.105 1.00 0.00 H new ATOM 314 N GLU A 22 -3.926 -0.490 -7.147 1.00 0.00 N ATOM 315 CA GLU A 22 -4.833 0.498 -6.589 1.00 0.00 C ATOM 316 C GLU A 22 -6.205 -0.121 -6.332 1.00 0.00 C ATOM 317 O GLU A 22 -6.661 -0.268 -5.203 1.00 0.00 O ATOM 318 CB GLU A 22 -4.916 1.738 -7.494 1.00 0.00 C ATOM 319 CG GLU A 22 -3.543 2.408 -7.647 1.00 0.00 C ATOM 320 CD GLU A 22 -3.637 3.872 -8.048 1.00 0.00 C ATOM 321 OE1 GLU A 22 -4.625 4.216 -8.729 1.00 0.00 O ATOM 322 OE2 GLU A 22 -2.705 4.615 -7.665 1.00 0.00 O ATOM 0 H GLU A 22 -3.502 -0.207 -8.030 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.441 0.831 -5.628 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.294 1.451 -8.475 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.626 2.450 -7.075 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.000 2.329 -6.705 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.963 1.868 -8.396 1.00 0.00 H new ATOM 329 N GLY A 23 -6.838 -0.515 -7.423 1.00 0.00 N ATOM 330 CA GLY A 23 -8.098 -1.237 -7.479 1.00 0.00 C ATOM 331 C GLY A 23 -8.141 -2.403 -6.492 1.00 0.00 C ATOM 332 O GLY A 23 -9.067 -2.494 -5.689 1.00 0.00 O ATOM 0 H GLY A 23 -6.462 -0.328 -8.353 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.917 -0.551 -7.264 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.254 -1.613 -8.490 1.00 0.00 H new ATOM 336 N LYS A 24 -7.154 -3.308 -6.545 1.00 0.00 N ATOM 337 CA LYS A 24 -7.125 -4.468 -5.664 1.00 0.00 C ATOM 338 C LYS A 24 -7.111 -4.018 -4.203 1.00 0.00 C ATOM 339 O LYS A 24 -7.956 -4.432 -3.412 1.00 0.00 O ATOM 340 CB LYS A 24 -5.908 -5.347 -5.994 1.00 0.00 C ATOM 341 CG LYS A 24 -5.794 -6.646 -5.175 1.00 0.00 C ATOM 342 CD LYS A 24 -6.611 -7.825 -5.733 1.00 0.00 C ATOM 343 CE LYS A 24 -8.010 -7.949 -5.109 1.00 0.00 C ATOM 344 NZ LYS A 24 -8.746 -9.110 -5.651 1.00 0.00 N ATOM 0 H LYS A 24 -6.367 -3.253 -7.192 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.024 -5.065 -5.821 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.944 -5.606 -7.052 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.003 -4.759 -5.840 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.745 -6.938 -5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.118 -6.447 -4.154 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.712 -7.709 -6.812 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.062 -8.751 -5.562 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.919 -8.048 -4.027 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.576 -7.037 -5.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.685 -9.163 -5.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.854 -9.003 -6.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.217 -9.982 -5.447 1.00 0.00 H new ATOM 358 N ILE A 25 -6.148 -3.172 -3.840 1.00 0.00 N ATOM 359 CA ILE A 25 -5.994 -2.645 -2.501 1.00 0.00 C ATOM 360 C ILE A 25 -7.246 -1.880 -2.068 1.00 0.00 C ATOM 361 O ILE A 25 -7.616 -1.921 -0.899 1.00 0.00 O ATOM 362 CB ILE A 25 -4.701 -1.815 -2.449 1.00 0.00 C ATOM 363 CG1 ILE A 25 -3.427 -2.662 -2.539 1.00 0.00 C ATOM 364 CG2 ILE A 25 -4.666 -0.843 -1.276 1.00 0.00 C ATOM 365 CD1 ILE A 25 -3.286 -3.564 -1.325 1.00 0.00 C ATOM 0 H ILE A 25 -5.440 -2.831 -4.491 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.894 -3.452 -1.775 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.719 -1.207 -3.354 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.452 -3.267 -3.445 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.557 -2.010 -2.615 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.729 -0.286 -1.293 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.503 -0.149 -1.354 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.741 -1.398 -0.341 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.374 -4.154 -1.414 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.237 -2.955 -0.423 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.146 -4.232 -1.266 1.00 0.00 H new ATOM 377 N GLY A 26 -7.949 -1.250 -3.006 1.00 0.00 N ATOM 378 CA GLY A 26 -9.226 -0.604 -2.764 1.00 0.00 C ATOM 379 C GLY A 26 -10.298 -1.546 -2.208 1.00 0.00 C ATOM 380 O GLY A 26 -11.309 -1.062 -1.703 1.00 0.00 O ATOM 0 H GLY A 26 -7.636 -1.176 -3.974 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.080 0.219 -2.064 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.586 -0.169 -3.697 1.00 0.00 H new ATOM 384 N LYS A 27 -10.120 -2.874 -2.287 1.00 0.00 N ATOM 385 CA LYS A 27 -11.040 -3.819 -1.680 1.00 0.00 C ATOM 386 C LYS A 27 -10.615 -4.164 -0.251 1.00 0.00 C ATOM 387 O LYS A 27 -11.385 -4.805 0.461 1.00 0.00 O ATOM 388 CB LYS A 27 -11.166 -5.068 -2.562 1.00 0.00 C ATOM 389 CG LYS A 27 -12.352 -4.950 -3.529 1.00 0.00 C ATOM 390 CD LYS A 27 -13.694 -5.213 -2.820 1.00 0.00 C ATOM 391 CE LYS A 27 -14.895 -5.170 -3.778 1.00 0.00 C ATOM 392 NZ LYS A 27 -14.971 -6.356 -4.656 1.00 0.00 N ATOM 0 H LYS A 27 -9.336 -3.310 -2.773 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.025 -3.357 -1.610 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.245 -5.211 -3.128 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.293 -5.949 -1.933 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.363 -3.954 -3.971 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.227 -5.660 -4.346 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.658 -6.188 -2.335 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.836 -4.471 -2.034 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -15.814 -5.094 -3.197 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -14.831 -4.272 -4.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.799 -6.273 -5.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.108 -6.417 -5.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.060 -7.213 -4.074 1.00 0.00 H new ATOM 406 N LEU A 28 -9.405 -3.788 0.180 1.00 0.00 N ATOM 407 CA LEU A 28 -8.913 -4.167 1.479 1.00 0.00 C ATOM 408 C LEU A 28 -9.728 -3.514 2.584 1.00 0.00 C ATOM 409 O LEU A 28 -9.946 -2.301 2.616 1.00 0.00 O ATOM 410 CB LEU A 28 -7.456 -3.762 1.663 1.00 0.00 C ATOM 411 CG LEU A 28 -6.392 -4.476 0.821 1.00 0.00 C ATOM 412 CD1 LEU A 28 -5.507 -5.264 1.771 1.00 0.00 C ATOM 413 CD2 LEU A 28 -6.927 -5.470 -0.208 1.00 0.00 C ATOM 0 H LEU A 28 -8.758 -3.219 -0.366 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.002 -5.252 1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.379 -2.694 1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.201 -3.906 2.713 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.878 -3.693 0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.737 -5.786 1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.036 -4.582 2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.112 -5.990 2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.093 -5.918 -0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.492 -6.251 0.300 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.578 -4.951 -0.911 1.00 0.00 H new ATOM 425 N GLN A 29 -10.098 -4.353 3.542 1.00 0.00 N ATOM 426 CA GLN A 29 -10.742 -3.946 4.771 1.00 0.00 C ATOM 427 C GLN A 29 -9.843 -2.946 5.507 1.00 0.00 C ATOM 428 O GLN A 29 -8.795 -3.320 6.027 1.00 0.00 O ATOM 429 CB GLN A 29 -11.123 -5.197 5.578 1.00 0.00 C ATOM 430 CG GLN A 29 -9.889 -5.976 6.047 1.00 0.00 C ATOM 431 CD GLN A 29 -10.153 -7.442 6.376 1.00 0.00 C ATOM 432 OE1 GLN A 29 -11.175 -8.009 6.002 1.00 0.00 O ATOM 433 NE2 GLN A 29 -9.212 -8.084 7.062 1.00 0.00 N ATOM 0 H GLN A 29 -9.952 -5.361 3.478 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.677 -3.417 4.586 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.717 -4.903 6.444 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.750 -5.846 4.967 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.125 -5.923 5.271 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.480 -5.486 6.931 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.372 -7.589 7.361 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.330 -9.071 7.289 1.00 0.00 H new ATOM 442 N GLY A 30 -10.231 -1.669 5.526 1.00 0.00 N ATOM 443 CA GLY A 30 -9.534 -0.633 6.274 1.00 0.00 C ATOM 444 C GLY A 30 -8.947 0.462 5.403 1.00 0.00 C ATOM 445 O GLY A 30 -8.582 1.502 5.939 1.00 0.00 O ATOM 0 H GLY A 30 -11.046 -1.327 5.016 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.226 -0.185 6.987 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.733 -1.093 6.853 1.00 0.00 H new ATOM 449 N VAL A 31 -8.819 0.248 4.092 1.00 0.00 N ATOM 450 CA VAL A 31 -8.187 1.214 3.224 1.00 0.00 C ATOM 451 C VAL A 31 -9.230 2.213 2.732 1.00 0.00 C ATOM 452 O VAL A 31 -10.264 1.828 2.191 1.00 0.00 O ATOM 453 CB VAL A 31 -7.515 0.431 2.087 1.00 0.00 C ATOM 454 CG1 VAL A 31 -7.240 1.314 0.875 1.00 0.00 C ATOM 455 CG2 VAL A 31 -6.206 -0.195 2.586 1.00 0.00 C ATOM 0 H VAL A 31 -9.149 -0.592 3.617 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.425 1.798 3.739 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.203 -0.355 1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.764 0.721 0.094 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.179 1.721 0.501 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.580 2.132 1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.735 -0.749 1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.533 0.592 2.927 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.419 -0.873 3.412 1.00 0.00 H new ATOM 465 N GLN A 32 -8.927 3.501 2.888 1.00 0.00 N ATOM 466 CA GLN A 32 -9.711 4.589 2.339 1.00 0.00 C ATOM 467 C GLN A 32 -9.320 4.842 0.886 1.00 0.00 C ATOM 468 O GLN A 32 -10.201 4.916 0.033 1.00 0.00 O ATOM 469 CB GLN A 32 -9.566 5.839 3.208 1.00 0.00 C ATOM 470 CG GLN A 32 -10.820 6.112 4.032 1.00 0.00 C ATOM 471 CD GLN A 32 -11.946 6.683 3.179 1.00 0.00 C ATOM 472 OE1 GLN A 32 -11.901 7.843 2.775 1.00 0.00 O ATOM 473 NE2 GLN A 32 -12.956 5.877 2.870 1.00 0.00 N ATOM 0 H GLN A 32 -8.111 3.816 3.412 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.766 4.314 2.345 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.713 5.719 3.876 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.355 6.699 2.573 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.154 5.187 4.502 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -10.582 6.810 4.835 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -12.969 4.918 3.219 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.719 6.217 2.284 1.00 0.00 H new ATOM 482 N ARG A 33 -8.022 5.005 0.589 1.00 0.00 N ATOM 483 CA ARG A 33 -7.574 5.283 -0.772 1.00 0.00 C ATOM 484 C ARG A 33 -6.103 4.903 -0.946 1.00 0.00 C ATOM 485 O ARG A 33 -5.403 4.649 0.033 1.00 0.00 O ATOM 486 CB ARG A 33 -7.830 6.767 -1.116 1.00 0.00 C ATOM 487 CG ARG A 33 -9.008 6.946 -2.091 1.00 0.00 C ATOM 488 CD ARG A 33 -9.810 8.218 -1.788 1.00 0.00 C ATOM 489 NE ARG A 33 -10.996 8.300 -2.657 1.00 0.00 N ATOM 490 CZ ARG A 33 -12.027 9.145 -2.487 1.00 0.00 C ATOM 491 NH1 ARG A 33 -11.993 10.051 -1.504 1.00 0.00 N ATOM 492 NH2 ARG A 33 -13.086 9.078 -3.303 1.00 0.00 N ATOM 0 H ARG A 33 -7.270 4.948 1.276 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.147 4.672 -1.470 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.033 7.320 -0.199 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.929 7.196 -1.555 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.631 6.989 -3.113 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.665 6.079 -2.030 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.117 8.221 -0.742 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.181 9.096 -1.938 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.038 7.663 -3.453 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.185 10.100 -0.884 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.775 10.693 -1.375 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.110 8.386 -4.052 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.869 9.719 -3.175 1.00 0.00 H new ATOM 506 N ILE A 34 -5.655 4.878 -2.205 1.00 0.00 N ATOM 507 CA ILE A 34 -4.320 4.481 -2.620 1.00 0.00 C ATOM 508 C ILE A 34 -3.869 5.376 -3.777 1.00 0.00 C ATOM 509 O ILE A 34 -4.692 5.744 -4.611 1.00 0.00 O ATOM 510 CB ILE A 34 -4.294 2.977 -2.966 1.00 0.00 C ATOM 511 CG1 ILE A 34 -2.919 2.623 -3.559 1.00 0.00 C ATOM 512 CG2 ILE A 34 -5.425 2.525 -3.912 1.00 0.00 C ATOM 513 CD1 ILE A 34 -2.539 1.148 -3.412 1.00 0.00 C ATOM 0 H ILE A 34 -6.245 5.147 -2.992 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.608 4.618 -1.806 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.466 2.435 -2.036 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.912 2.886 -4.617 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.157 3.234 -3.074 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.333 1.456 -4.104 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.390 2.729 -3.449 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.352 3.070 -4.853 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.557 0.979 -3.854 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.511 0.883 -2.355 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.278 0.529 -3.922 1.00 0.00 H new ATOM 525 N LYS A 35 -2.590 5.773 -3.775 1.00 0.00 N ATOM 526 CA LYS A 35 -1.898 6.412 -4.886 1.00 0.00 C ATOM 527 C LYS A 35 -0.588 5.648 -5.111 1.00 0.00 C ATOM 528 O LYS A 35 0.290 5.706 -4.249 1.00 0.00 O ATOM 529 CB LYS A 35 -1.571 7.879 -4.548 1.00 0.00 C ATOM 530 CG LYS A 35 -2.758 8.850 -4.607 1.00 0.00 C ATOM 531 CD LYS A 35 -3.598 8.868 -3.323 1.00 0.00 C ATOM 532 CE LYS A 35 -4.591 10.038 -3.370 1.00 0.00 C ATOM 533 NZ LYS A 35 -5.480 10.057 -2.191 1.00 0.00 N ATOM 0 H LYS A 35 -1.989 5.649 -2.960 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.528 6.396 -5.775 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.143 7.916 -3.546 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.802 8.230 -5.237 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.385 9.856 -4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.398 8.579 -5.447 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.136 7.926 -3.216 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.948 8.965 -2.453 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.042 10.978 -3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.192 9.967 -4.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.134 10.862 -2.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.024 9.171 -2.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.909 10.151 -1.327 1.00 0.00 H new ATOM 547 N VAL A 36 -0.440 4.943 -6.236 1.00 0.00 N ATOM 548 CA VAL A 36 0.795 4.261 -6.618 1.00 0.00 C ATOM 549 C VAL A 36 1.515 5.070 -7.694 1.00 0.00 C ATOM 550 O VAL A 36 1.094 5.074 -8.849 1.00 0.00 O ATOM 551 CB VAL A 36 0.508 2.840 -7.134 1.00 0.00 C ATOM 552 CG1 VAL A 36 1.809 2.121 -7.523 1.00 0.00 C ATOM 553 CG2 VAL A 36 -0.204 1.975 -6.095 1.00 0.00 C ATOM 0 H VAL A 36 -1.190 4.829 -6.918 1.00 0.00 H new ATOM 0 HA VAL A 36 1.429 4.178 -5.736 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.138 2.966 -8.003 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.577 1.119 -7.884 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.314 2.682 -8.309 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.460 2.051 -6.652 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.383 0.983 -6.509 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.419 1.890 -5.204 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.156 2.435 -5.830 1.00 0.00 H new ATOM 563 N SER A 37 2.641 5.700 -7.351 1.00 0.00 N ATOM 564 CA SER A 37 3.517 6.284 -8.319 1.00 0.00 C ATOM 565 C SER A 37 4.421 5.188 -8.884 1.00 0.00 C ATOM 566 O SER A 37 5.293 4.672 -8.183 1.00 0.00 O ATOM 567 CB SER A 37 4.320 7.353 -7.595 1.00 0.00 C ATOM 568 OG SER A 37 3.510 8.487 -7.342 1.00 0.00 O ATOM 0 H SER A 37 2.955 5.809 -6.387 1.00 0.00 H new ATOM 0 HA SER A 37 2.978 6.733 -9.153 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.705 6.955 -6.656 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.182 7.640 -8.197 1.00 0.00 H new ATOM 0 HG SER A 37 4.037 9.168 -6.874 1.00 0.00 H new ATOM 574 N LEU A 38 4.256 4.881 -10.176 1.00 0.00 N ATOM 575 CA LEU A 38 5.318 4.235 -10.940 1.00 0.00 C ATOM 576 C LEU A 38 6.547 5.162 -10.959 1.00 0.00 C ATOM 577 O LEU A 38 6.525 6.225 -10.334 1.00 0.00 O ATOM 578 CB LEU A 38 4.824 3.867 -12.353 1.00 0.00 C ATOM 579 CG LEU A 38 4.898 2.357 -12.642 1.00 0.00 C ATOM 580 CD1 LEU A 38 4.255 2.085 -13.993 1.00 0.00 C ATOM 581 CD2 LEU A 38 6.339 1.818 -12.663 1.00 0.00 C ATOM 0 H LEU A 38 3.405 5.069 -10.706 1.00 0.00 H new ATOM 0 HA LEU A 38 5.609 3.297 -10.468 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.794 4.204 -12.471 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.421 4.402 -13.091 1.00 0.00 H new ATOM 0 HG LEU A 38 4.372 1.847 -11.835 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.301 1.018 -14.210 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.214 2.406 -13.972 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.789 2.636 -14.767 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.324 0.748 -12.872 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.908 2.331 -13.438 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.807 1.992 -11.694 1.00 0.00 H new ATOM 593 N ASP A 39 7.628 4.726 -11.615 1.00 0.00 N ATOM 594 CA ASP A 39 8.965 5.309 -11.629 1.00 0.00 C ATOM 595 C ASP A 39 9.594 5.167 -10.255 1.00 0.00 C ATOM 596 O ASP A 39 10.589 4.473 -10.073 1.00 0.00 O ATOM 597 CB ASP A 39 8.964 6.785 -12.024 1.00 0.00 C ATOM 598 CG ASP A 39 8.514 7.037 -13.456 1.00 0.00 C ATOM 599 OD1 ASP A 39 7.316 6.798 -13.725 1.00 0.00 O ATOM 600 OD2 ASP A 39 9.374 7.485 -14.243 1.00 0.00 O ATOM 0 H ASP A 39 7.582 3.888 -12.195 1.00 0.00 H new ATOM 0 HA ASP A 39 9.540 4.768 -12.380 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.310 7.333 -11.346 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.968 7.187 -11.892 1.00 0.00 H new ATOM 605 N ASN A 40 8.988 5.849 -9.287 1.00 0.00 N ATOM 606 CA ASN A 40 9.483 5.954 -7.934 1.00 0.00 C ATOM 607 C ASN A 40 9.454 4.593 -7.226 1.00 0.00 C ATOM 608 O ASN A 40 10.160 4.380 -6.245 1.00 0.00 O ATOM 609 CB ASN A 40 8.658 6.997 -7.165 1.00 0.00 C ATOM 610 CG ASN A 40 9.540 7.840 -6.252 1.00 0.00 C ATOM 611 OD1 ASN A 40 9.878 7.433 -5.147 1.00 0.00 O ATOM 612 ND2 ASN A 40 9.911 9.034 -6.707 1.00 0.00 N ATOM 0 H ASN A 40 8.115 6.355 -9.435 1.00 0.00 H new ATOM 0 HA ASN A 40 10.523 6.279 -7.963 1.00 0.00 H new ATOM 0 HB2 ASN A 40 8.138 7.645 -7.871 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.894 6.494 -6.572 1.00 0.00 H new ATOM 0 HD21 ASN A 40 10.494 9.641 -6.131 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.612 9.343 -7.632 1.00 0.00 H new ATOM 619 N GLN A 41 8.592 3.686 -7.714 1.00 0.00 N ATOM 620 CA GLN A 41 8.306 2.356 -7.163 1.00 0.00 C ATOM 621 C GLN A 41 7.663 2.438 -5.786 1.00 0.00 C ATOM 622 O GLN A 41 7.652 1.464 -5.034 1.00 0.00 O ATOM 623 CB GLN A 41 9.561 1.494 -7.067 1.00 0.00 C ATOM 624 CG GLN A 41 10.436 1.665 -8.296 1.00 0.00 C ATOM 625 CD GLN A 41 11.568 0.649 -8.264 1.00 0.00 C ATOM 626 OE1 GLN A 41 12.731 1.007 -8.106 1.00 0.00 O ATOM 627 NE2 GLN A 41 11.211 -0.628 -8.339 1.00 0.00 N ATOM 0 H GLN A 41 8.045 3.875 -8.554 1.00 0.00 H new ATOM 0 HA GLN A 41 7.607 1.892 -7.859 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.125 1.765 -6.175 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.279 0.446 -6.960 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.841 1.533 -9.199 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.842 2.676 -8.327 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.231 -0.877 -8.471 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.917 -1.360 -8.265 1.00 0.00 H new ATOM 636 N GLU A 42 7.182 3.628 -5.460 1.00 0.00 N ATOM 637 CA GLU A 42 6.731 4.003 -4.134 1.00 0.00 C ATOM 638 C GLU A 42 5.257 4.414 -4.200 1.00 0.00 C ATOM 639 O GLU A 42 4.863 5.169 -5.089 1.00 0.00 O ATOM 640 CB GLU A 42 7.668 5.089 -3.578 1.00 0.00 C ATOM 641 CG GLU A 42 7.747 5.027 -2.049 1.00 0.00 C ATOM 642 CD GLU A 42 8.863 5.905 -1.506 1.00 0.00 C ATOM 643 OE1 GLU A 42 9.985 5.371 -1.351 1.00 0.00 O ATOM 644 OE2 GLU A 42 8.571 7.072 -1.179 1.00 0.00 O ATOM 0 H GLU A 42 7.093 4.385 -6.138 1.00 0.00 H new ATOM 0 HA GLU A 42 6.780 3.166 -3.437 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.665 4.964 -4.001 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.312 6.072 -3.886 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.795 5.344 -1.623 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.910 3.996 -1.735 1.00 0.00 H new ATOM 651 N ALA A 43 4.433 3.893 -3.288 1.00 0.00 N ATOM 652 CA ALA A 43 3.000 4.165 -3.241 1.00 0.00 C ATOM 653 C ALA A 43 2.640 4.682 -1.857 1.00 0.00 C ATOM 654 O ALA A 43 3.289 4.294 -0.886 1.00 0.00 O ATOM 655 CB ALA A 43 2.209 2.894 -3.551 1.00 0.00 C ATOM 0 H ALA A 43 4.750 3.262 -2.552 1.00 0.00 H new ATOM 0 HA ALA A 43 2.748 4.916 -3.989 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.142 3.111 -3.512 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.471 2.536 -4.547 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.450 2.127 -2.815 1.00 0.00 H new ATOM 661 N THR A 44 1.608 5.525 -1.758 1.00 0.00 N ATOM 662 CA THR A 44 1.117 6.046 -0.499 1.00 0.00 C ATOM 663 C THR A 44 -0.361 5.707 -0.408 1.00 0.00 C ATOM 664 O THR A 44 -1.108 5.885 -1.373 1.00 0.00 O ATOM 665 CB THR A 44 1.459 7.538 -0.320 1.00 0.00 C ATOM 666 OG1 THR A 44 2.386 7.670 0.741 1.00 0.00 O ATOM 667 CG2 THR A 44 0.248 8.413 0.009 1.00 0.00 C ATOM 0 H THR A 44 1.089 5.864 -2.568 1.00 0.00 H new ATOM 0 HA THR A 44 1.619 5.576 0.346 1.00 0.00 H new ATOM 0 HB THR A 44 1.862 7.878 -1.274 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.086 7.136 1.506 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.567 9.449 0.120 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.482 8.343 -0.798 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.206 8.071 0.939 1.00 0.00 H new ATOM 675 N ILE A 45 -0.749 5.135 0.732 1.00 0.00 N ATOM 676 CA ILE A 45 -2.065 4.577 0.959 1.00 0.00 C ATOM 677 C ILE A 45 -2.615 5.213 2.230 1.00 0.00 C ATOM 678 O ILE A 45 -1.826 5.726 3.019 1.00 0.00 O ATOM 679 CB ILE A 45 -1.928 3.055 1.037 1.00 0.00 C ATOM 680 CG1 ILE A 45 -1.490 2.591 -0.358 1.00 0.00 C ATOM 681 CG2 ILE A 45 -3.257 2.378 1.407 1.00 0.00 C ATOM 682 CD1 ILE A 45 -0.821 1.232 -0.385 1.00 0.00 C ATOM 0 H ILE A 45 -0.133 5.049 1.540 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.770 4.789 0.155 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.209 2.785 1.810 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.363 2.565 -1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.804 3.329 -0.774 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.115 1.298 1.452 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.592 2.740 2.379 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.008 2.615 0.653 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.544 0.983 -1.409 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.074 1.254 0.237 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.510 0.479 -0.002 1.00 0.00 H new ATOM 694 N VAL A 46 -3.937 5.213 2.418 1.00 0.00 N ATOM 695 CA VAL A 46 -4.573 5.827 3.567 1.00 0.00 C ATOM 696 C VAL A 46 -5.491 4.806 4.247 1.00 0.00 C ATOM 697 O VAL A 46 -6.329 4.208 3.572 1.00 0.00 O ATOM 698 CB VAL A 46 -5.176 7.190 3.206 1.00 0.00 C ATOM 699 CG1 VAL A 46 -6.371 7.059 2.304 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.524 8.011 4.452 1.00 0.00 C ATOM 0 H VAL A 46 -4.594 4.782 1.768 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.846 6.091 4.335 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.405 7.730 2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.764 8.049 2.075 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.076 6.563 1.379 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.140 6.469 2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.948 8.969 4.150 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.250 7.467 5.055 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.621 8.183 5.038 1.00 0.00 H new ATOM 710 N TYR A 47 -5.264 4.537 5.538 1.00 0.00 N ATOM 711 CA TYR A 47 -5.999 3.547 6.331 1.00 0.00 C ATOM 712 C TYR A 47 -5.875 3.847 7.834 1.00 0.00 C ATOM 713 O TYR A 47 -5.203 4.808 8.216 1.00 0.00 O ATOM 714 CB TYR A 47 -5.493 2.132 6.008 1.00 0.00 C ATOM 715 CG TYR A 47 -4.110 1.807 6.527 1.00 0.00 C ATOM 716 CD1 TYR A 47 -3.950 1.304 7.830 1.00 0.00 C ATOM 717 CD2 TYR A 47 -2.993 1.910 5.683 1.00 0.00 C ATOM 718 CE1 TYR A 47 -2.681 0.962 8.307 1.00 0.00 C ATOM 719 CE2 TYR A 47 -1.746 1.435 6.119 1.00 0.00 C ATOM 720 CZ TYR A 47 -1.576 1.007 7.446 1.00 0.00 C ATOM 721 OH TYR A 47 -0.404 0.451 7.855 1.00 0.00 O ATOM 0 H TYR A 47 -4.542 5.017 6.075 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.055 3.605 6.069 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.197 1.409 6.420 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -5.498 2.000 4.926 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.813 1.181 8.467 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.093 2.353 4.703 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.552 0.664 9.337 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.914 1.399 5.431 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.221 -0.353 7.325 1.00 0.00 H new ATOM 731 N GLN A 48 -6.498 3.031 8.699 1.00 0.00 N ATOM 732 CA GLN A 48 -6.204 3.000 10.122 1.00 0.00 C ATOM 733 C GLN A 48 -6.093 1.597 10.741 1.00 0.00 C ATOM 734 O GLN A 48 -6.700 0.644 10.245 1.00 0.00 O ATOM 735 CB GLN A 48 -7.273 3.820 10.851 1.00 0.00 C ATOM 736 CG GLN A 48 -6.800 5.262 11.057 1.00 0.00 C ATOM 737 CD GLN A 48 -7.392 5.890 12.318 1.00 0.00 C ATOM 738 OE1 GLN A 48 -7.354 5.294 13.389 1.00 0.00 O ATOM 739 NE2 GLN A 48 -7.930 7.103 12.223 1.00 0.00 N ATOM 0 H GLN A 48 -7.224 2.372 8.418 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.209 3.428 10.243 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.199 3.814 10.275 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.494 3.363 11.815 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.712 5.280 11.121 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.078 5.861 10.190 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.952 7.582 11.323 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.321 7.554 13.050 1.00 0.00 H new ATOM 748 N PRO A 49 -5.328 1.476 11.848 1.00 0.00 N ATOM 749 CA PRO A 49 -5.108 0.234 12.572 1.00 0.00 C ATOM 750 C PRO A 49 -6.372 -0.152 13.343 1.00 0.00 C ATOM 751 O PRO A 49 -6.453 -0.008 14.563 1.00 0.00 O ATOM 752 CB PRO A 49 -3.924 0.509 13.506 1.00 0.00 C ATOM 753 CG PRO A 49 -4.084 1.992 13.827 1.00 0.00 C ATOM 754 CD PRO A 49 -4.601 2.559 12.505 1.00 0.00 C ATOM 0 HA PRO A 49 -4.888 -0.605 11.911 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.966 -0.106 14.405 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.970 0.301 13.022 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.787 2.158 14.643 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.139 2.448 14.123 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.253 3.415 12.678 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.776 2.907 11.883 1.00 0.00 H new ATOM 762 N HIS A 50 -7.370 -0.639 12.612 1.00 0.00 N ATOM 763 CA HIS A 50 -8.578 -1.240 13.156 1.00 0.00 C ATOM 764 C HIS A 50 -8.933 -2.444 12.299 1.00 0.00 C ATOM 765 O HIS A 50 -9.039 -3.561 12.797 1.00 0.00 O ATOM 766 CB HIS A 50 -9.728 -0.218 13.180 1.00 0.00 C ATOM 767 CG HIS A 50 -9.955 0.389 14.540 1.00 0.00 C ATOM 768 ND1 HIS A 50 -8.978 0.798 15.419 1.00 0.00 N ATOM 769 CD2 HIS A 50 -11.162 0.515 15.174 1.00 0.00 C ATOM 770 CE1 HIS A 50 -9.591 1.179 16.554 1.00 0.00 C ATOM 771 NE2 HIS A 50 -10.923 1.024 16.453 1.00 0.00 N ATOM 0 H HIS A 50 -7.357 -0.625 11.592 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.410 -1.558 14.185 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -9.514 0.577 12.466 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.645 -0.705 12.849 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -7.974 0.810 15.242 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -12.127 0.265 14.759 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -9.082 1.558 17.428 1.00 0.00 H new ATOM 779 N LEU A 51 -9.122 -2.204 11.001 1.00 0.00 N ATOM 780 CA LEU A 51 -9.533 -3.244 10.075 1.00 0.00 C ATOM 781 C LEU A 51 -8.316 -3.983 9.512 1.00 0.00 C ATOM 782 O LEU A 51 -8.446 -5.153 9.157 1.00 0.00 O ATOM 783 CB LEU A 51 -10.395 -2.632 8.969 1.00 0.00 C ATOM 784 CG LEU A 51 -11.796 -2.233 9.459 1.00 0.00 C ATOM 785 CD1 LEU A 51 -12.414 -1.186 8.526 1.00 0.00 C ATOM 786 CD2 LEU A 51 -12.731 -3.446 9.532 1.00 0.00 C ATOM 0 H LEU A 51 -8.994 -1.288 10.570 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.134 -3.984 10.604 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.892 -1.753 8.567 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.491 -3.347 8.152 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.681 -1.815 10.459 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.406 -0.916 8.889 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.781 -0.299 8.505 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.495 -1.598 7.520 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.713 -3.128 9.882 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.826 -3.892 8.542 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.320 -4.181 10.224 1.00 0.00 H new ATOM 798 N ILE A 52 -7.149 -3.327 9.421 1.00 0.00 N ATOM 799 CA ILE A 52 -5.962 -3.907 8.826 1.00 0.00 C ATOM 800 C ILE A 52 -4.843 -3.965 9.855 1.00 0.00 C ATOM 801 O ILE A 52 -4.688 -3.043 10.652 1.00 0.00 O ATOM 802 CB ILE A 52 -5.611 -3.134 7.552 1.00 0.00 C ATOM 803 CG1 ILE A 52 -4.645 -3.889 6.635 1.00 0.00 C ATOM 804 CG2 ILE A 52 -5.040 -1.765 7.881 1.00 0.00 C ATOM 805 CD1 ILE A 52 -5.212 -5.244 6.219 1.00 0.00 C ATOM 0 H ILE A 52 -7.014 -2.376 9.763 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.135 -4.939 8.523 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.549 -3.017 7.009 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.442 -3.290 5.747 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.694 -4.033 7.147 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.800 -1.239 6.957 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.775 -1.190 8.445 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.135 -1.882 8.477 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.500 -5.752 5.569 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.391 -5.851 7.106 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.151 -5.097 5.685 1.00 0.00 H new ATOM 817 N SER A 53 -4.015 -5.013 9.811 1.00 0.00 N ATOM 818 CA SER A 53 -2.973 -5.247 10.797 1.00 0.00 C ATOM 819 C SER A 53 -1.707 -4.434 10.534 1.00 0.00 C ATOM 820 O SER A 53 -0.602 -4.880 10.831 1.00 0.00 O ATOM 821 CB SER A 53 -2.663 -6.733 10.853 1.00 0.00 C ATOM 822 OG SER A 53 -3.842 -7.516 10.984 1.00 0.00 O ATOM 0 H SER A 53 -4.055 -5.725 9.081 1.00 0.00 H new ATOM 0 HA SER A 53 -3.348 -4.909 11.763 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.131 -7.027 9.948 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.999 -6.934 11.693 1.00 0.00 H new ATOM 0 HG SER A 53 -4.177 -7.754 10.094 1.00 0.00 H new ATOM 828 N VAL A 54 -1.885 -3.254 9.949 1.00 0.00 N ATOM 829 CA VAL A 54 -0.905 -2.226 9.638 1.00 0.00 C ATOM 830 C VAL A 54 -0.018 -2.677 8.473 1.00 0.00 C ATOM 831 O VAL A 54 -0.005 -2.097 7.386 1.00 0.00 O ATOM 832 CB VAL A 54 -0.188 -1.750 10.929 1.00 0.00 C ATOM 833 CG1 VAL A 54 1.326 -1.939 10.930 1.00 0.00 C ATOM 834 CG2 VAL A 54 -0.474 -0.267 11.180 1.00 0.00 C ATOM 0 H VAL A 54 -2.817 -2.967 9.651 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.384 -1.320 9.266 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.593 -2.385 11.717 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.737 -1.577 11.872 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.561 -2.997 10.814 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.763 -1.378 10.104 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.035 0.053 12.089 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.114 0.321 10.336 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.548 -0.118 11.294 1.00 0.00 H new ATOM 844 N GLU A 55 0.687 -3.771 8.709 1.00 0.00 N ATOM 845 CA GLU A 55 1.656 -4.372 7.826 1.00 0.00 C ATOM 846 C GLU A 55 0.935 -5.245 6.803 1.00 0.00 C ATOM 847 O GLU A 55 1.353 -5.316 5.646 1.00 0.00 O ATOM 848 CB GLU A 55 2.603 -5.172 8.708 1.00 0.00 C ATOM 849 CG GLU A 55 3.789 -5.791 7.960 1.00 0.00 C ATOM 850 CD GLU A 55 4.777 -4.789 7.372 1.00 0.00 C ATOM 851 OE1 GLU A 55 4.899 -3.684 7.932 1.00 0.00 O ATOM 852 OE2 GLU A 55 5.438 -5.200 6.387 1.00 0.00 O ATOM 0 H GLU A 55 0.586 -4.292 9.580 1.00 0.00 H new ATOM 0 HA GLU A 55 2.223 -3.633 7.260 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.984 -4.522 9.495 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.041 -5.968 9.196 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.326 -6.449 8.643 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.404 -6.415 7.153 1.00 0.00 H new ATOM 859 N GLU A 56 -0.144 -5.918 7.239 1.00 0.00 N ATOM 860 CA GLU A 56 -0.912 -6.836 6.403 1.00 0.00 C ATOM 861 C GLU A 56 -1.111 -6.267 5.007 1.00 0.00 C ATOM 862 O GLU A 56 -0.816 -6.910 4.007 1.00 0.00 O ATOM 863 CB GLU A 56 -2.300 -7.053 6.999 1.00 0.00 C ATOM 864 CG GLU A 56 -2.560 -8.499 7.401 1.00 0.00 C ATOM 865 CD GLU A 56 -4.063 -8.672 7.453 1.00 0.00 C ATOM 866 OE1 GLU A 56 -4.620 -8.892 6.351 1.00 0.00 O ATOM 867 OE2 GLU A 56 -4.599 -8.439 8.560 1.00 0.00 O ATOM 0 H GLU A 56 -0.504 -5.834 8.190 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.353 -7.771 6.354 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.417 -6.413 7.873 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.052 -6.743 6.274 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.116 -9.187 6.681 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.111 -8.718 8.370 1.00 0.00 H new ATOM 874 N MET A 57 -1.624 -5.039 4.979 1.00 0.00 N ATOM 875 CA MET A 57 -1.855 -4.229 3.811 1.00 0.00 C ATOM 876 C MET A 57 -0.752 -4.420 2.756 1.00 0.00 C ATOM 877 O MET A 57 -1.025 -4.743 1.601 1.00 0.00 O ATOM 878 CB MET A 57 -1.972 -2.794 4.344 1.00 0.00 C ATOM 879 CG MET A 57 -3.053 -2.014 3.617 1.00 0.00 C ATOM 880 SD MET A 57 -2.530 -1.271 2.067 1.00 0.00 S ATOM 881 CE MET A 57 -1.236 -0.224 2.760 1.00 0.00 C ATOM 0 H MET A 57 -1.904 -4.562 5.836 1.00 0.00 H new ATOM 0 HA MET A 57 -2.762 -4.510 3.276 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.195 -2.819 5.411 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.015 -2.284 4.230 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.892 -2.681 3.419 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.419 -1.227 4.276 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.167 0.699 2.184 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.475 0.012 3.797 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.282 -0.749 2.719 1.00 0.00 H new ATOM 891 N LYS A 58 0.505 -4.258 3.170 1.00 0.00 N ATOM 892 CA LYS A 58 1.676 -4.491 2.342 1.00 0.00 C ATOM 893 C LYS A 58 1.945 -5.981 2.111 1.00 0.00 C ATOM 894 O LYS A 58 2.353 -6.379 1.022 1.00 0.00 O ATOM 895 CB LYS A 58 2.854 -3.768 2.990 1.00 0.00 C ATOM 896 CG LYS A 58 4.174 -3.953 2.223 1.00 0.00 C ATOM 897 CD LYS A 58 5.175 -4.832 3.001 1.00 0.00 C ATOM 898 CE LYS A 58 5.536 -6.131 2.280 1.00 0.00 C ATOM 899 NZ LYS A 58 6.891 -6.618 2.623 1.00 0.00 N ATOM 0 H LYS A 58 0.737 -3.953 4.115 1.00 0.00 H new ATOM 0 HA LYS A 58 1.508 -4.090 1.343 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.626 -2.704 3.058 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.979 -4.132 4.010 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.970 -4.407 1.254 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.621 -2.978 2.030 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.086 -4.260 3.180 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.753 -5.073 3.977 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.804 -6.898 2.534 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.473 -5.974 1.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.853 -7.638 2.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.534 -6.447 1.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.240 -6.112 3.462 1.00 0.00 H new ATOM 913 N LYS A 59 1.746 -6.834 3.114 1.00 0.00 N ATOM 914 CA LYS A 59 1.897 -8.266 2.903 1.00 0.00 C ATOM 915 C LYS A 59 0.975 -8.799 1.794 1.00 0.00 C ATOM 916 O LYS A 59 1.345 -9.707 1.051 1.00 0.00 O ATOM 917 CB LYS A 59 1.737 -9.054 4.198 1.00 0.00 C ATOM 918 CG LYS A 59 2.593 -8.560 5.371 1.00 0.00 C ATOM 919 CD LYS A 59 4.060 -8.173 5.075 1.00 0.00 C ATOM 920 CE LYS A 59 4.903 -8.550 6.312 1.00 0.00 C ATOM 921 NZ LYS A 59 6.133 -7.746 6.443 1.00 0.00 N ATOM 0 H LYS A 59 1.485 -6.563 4.062 1.00 0.00 H new ATOM 0 HA LYS A 59 2.919 -8.418 2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.689 -9.025 4.496 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.984 -10.098 4.003 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.098 -7.692 5.806 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.599 -9.339 6.134 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.423 -8.697 4.191 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.140 -7.106 4.868 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.297 -8.424 7.209 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.171 -9.605 6.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.436 -7.735 7.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.884 -8.163 5.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.947 -6.773 6.127 1.00 0.00 H new ATOM 935 N GLN A 60 -0.214 -8.212 1.649 1.00 0.00 N ATOM 936 CA GLN A 60 -1.178 -8.606 0.637 1.00 0.00 C ATOM 937 C GLN A 60 -0.560 -8.360 -0.736 1.00 0.00 C ATOM 938 O GLN A 60 -0.671 -9.172 -1.650 1.00 0.00 O ATOM 939 CB GLN A 60 -2.476 -7.821 0.829 1.00 0.00 C ATOM 940 CG GLN A 60 -3.029 -7.948 2.264 1.00 0.00 C ATOM 941 CD GLN A 60 -4.468 -8.473 2.371 1.00 0.00 C ATOM 942 OE1 GLN A 60 -5.167 -8.595 1.368 1.00 0.00 O ATOM 943 NE2 GLN A 60 -4.965 -8.780 3.573 1.00 0.00 N ATOM 0 H GLN A 60 -0.532 -7.443 2.239 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.424 -9.664 0.724 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.299 -6.770 0.602 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.223 -8.179 0.121 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.375 -8.612 2.830 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.981 -6.969 2.742 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.385 -8.679 4.406 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.925 -9.116 3.658 1.00 0.00 H new ATOM 952 N ILE A 61 0.143 -7.236 -0.853 1.00 0.00 N ATOM 953 CA ILE A 61 0.953 -6.946 -2.029 1.00 0.00 C ATOM 954 C ILE A 61 2.020 -8.018 -2.261 1.00 0.00 C ATOM 955 O ILE A 61 2.142 -8.472 -3.396 1.00 0.00 O ATOM 956 CB ILE A 61 1.517 -5.526 -1.986 1.00 0.00 C ATOM 957 CG1 ILE A 61 0.314 -4.574 -1.888 1.00 0.00 C ATOM 958 CG2 ILE A 61 2.393 -5.284 -3.232 1.00 0.00 C ATOM 959 CD1 ILE A 61 0.532 -3.268 -2.632 1.00 0.00 C ATOM 0 H ILE A 61 0.166 -6.507 -0.140 1.00 0.00 H new ATOM 0 HA ILE A 61 0.301 -6.984 -2.902 1.00 0.00 H new ATOM 0 HB ILE A 61 2.166 -5.356 -1.127 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.570 -5.071 -2.288 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.112 -4.359 -0.839 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.796 -4.272 -3.203 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.214 -6.001 -3.244 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.789 -5.408 -4.131 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.351 -2.637 -2.527 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.398 -2.753 -2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.706 -3.475 -3.688 1.00 0.00 H new ATOM 971 N GLU A 62 2.769 -8.450 -1.233 1.00 0.00 N ATOM 972 CA GLU A 62 3.781 -9.497 -1.426 1.00 0.00 C ATOM 973 C GLU A 62 3.115 -10.673 -2.146 1.00 0.00 C ATOM 974 O GLU A 62 3.584 -11.168 -3.172 1.00 0.00 O ATOM 975 CB GLU A 62 4.384 -10.000 -0.120 1.00 0.00 C ATOM 976 CG GLU A 62 5.064 -8.837 0.589 1.00 0.00 C ATOM 977 CD GLU A 62 6.554 -9.009 0.765 1.00 0.00 C ATOM 978 OE1 GLU A 62 7.260 -8.827 -0.242 1.00 0.00 O ATOM 979 OE2 GLU A 62 6.961 -9.142 1.943 1.00 0.00 O ATOM 0 H GLU A 62 2.695 -8.098 -0.279 1.00 0.00 H new ATOM 0 HA GLU A 62 4.597 -9.066 -2.006 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.607 -10.426 0.515 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.104 -10.794 -0.318 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.879 -7.923 0.025 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.606 -8.705 1.569 1.00 0.00 H new ATOM 986 N ALA A 63 1.962 -11.062 -1.585 1.00 0.00 N ATOM 987 CA ALA A 63 1.124 -12.166 -2.019 1.00 0.00 C ATOM 988 C ALA A 63 0.565 -12.011 -3.440 1.00 0.00 C ATOM 989 O ALA A 63 0.185 -13.015 -4.040 1.00 0.00 O ATOM 990 CB ALA A 63 -0.002 -12.354 -1.001 1.00 0.00 C ATOM 0 H ALA A 63 1.576 -10.582 -0.772 1.00 0.00 H new ATOM 0 HA ALA A 63 1.754 -13.054 -2.065 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.641 -13.180 -1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.425 -12.575 -0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.594 -11.441 -0.940 1.00 0.00 H new ATOM 996 N MET A 64 0.537 -10.800 -4.014 1.00 0.00 N ATOM 997 CA MET A 64 0.246 -10.636 -5.438 1.00 0.00 C ATOM 998 C MET A 64 1.313 -11.338 -6.290 1.00 0.00 C ATOM 999 O MET A 64 1.064 -11.657 -7.450 1.00 0.00 O ATOM 1000 CB MET A 64 0.146 -9.150 -5.816 1.00 0.00 C ATOM 1001 CG MET A 64 -1.008 -8.432 -5.104 1.00 0.00 C ATOM 1002 SD MET A 64 -2.687 -8.895 -5.607 1.00 0.00 S ATOM 1003 CE MET A 64 -2.768 -8.142 -7.248 1.00 0.00 C ATOM 0 H MET A 64 0.711 -9.928 -3.515 1.00 0.00 H new ATOM 0 HA MET A 64 -0.720 -11.099 -5.639 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.084 -8.653 -5.569 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.012 -9.062 -6.894 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.912 -8.611 -4.033 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.889 -7.360 -5.259 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.772 -8.262 -7.654 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.531 -7.081 -7.173 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.049 -8.629 -7.907 1.00 0.00 H new ATOM 1013 N GLY A 65 2.494 -11.572 -5.710 1.00 0.00 N ATOM 1014 CA GLY A 65 3.574 -12.359 -6.290 1.00 0.00 C ATOM 1015 C GLY A 65 4.763 -11.473 -6.641 1.00 0.00 C ATOM 1016 O GLY A 65 5.448 -11.732 -7.627 1.00 0.00 O ATOM 0 H GLY A 65 2.728 -11.202 -4.789 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.886 -13.131 -5.586 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.218 -12.869 -7.185 1.00 0.00 H new ATOM 1020 N PHE A 66 5.010 -10.435 -5.833 1.00 0.00 N ATOM 1021 CA PHE A 66 6.024 -9.425 -6.102 1.00 0.00 C ATOM 1022 C PHE A 66 6.573 -8.928 -4.770 1.00 0.00 C ATOM 1023 O PHE A 66 5.771 -8.506 -3.943 1.00 0.00 O ATOM 1024 CB PHE A 66 5.391 -8.249 -6.853 1.00 0.00 C ATOM 1025 CG PHE A 66 4.944 -8.619 -8.247 1.00 0.00 C ATOM 1026 CD1 PHE A 66 5.913 -8.847 -9.238 1.00 0.00 C ATOM 1027 CD2 PHE A 66 3.590 -8.890 -8.517 1.00 0.00 C ATOM 1028 CE1 PHE A 66 5.528 -9.285 -10.513 1.00 0.00 C ATOM 1029 CE2 PHE A 66 3.202 -9.317 -9.798 1.00 0.00 C ATOM 1030 CZ PHE A 66 4.170 -9.503 -10.801 1.00 0.00 C ATOM 0 H PHE A 66 4.501 -10.277 -4.964 1.00 0.00 H new ATOM 0 HA PHE A 66 6.823 -9.852 -6.708 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.535 -7.881 -6.287 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.110 -7.432 -6.912 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.958 -8.684 -9.017 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.849 -8.770 -7.740 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.275 -9.455 -11.274 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.160 -9.502 -10.013 1.00 0.00 H new ATOM 0 HZ PHE A 66 3.870 -9.813 -11.791 1.00 0.00 H new ATOM 1040 N PRO A 67 7.894 -8.960 -4.535 1.00 0.00 N ATOM 1041 CA PRO A 67 8.463 -8.541 -3.266 1.00 0.00 C ATOM 1042 C PRO A 67 8.176 -7.058 -3.017 1.00 0.00 C ATOM 1043 O PRO A 67 8.635 -6.214 -3.784 1.00 0.00 O ATOM 1044 CB PRO A 67 9.964 -8.843 -3.372 1.00 0.00 C ATOM 1045 CG PRO A 67 10.235 -8.815 -4.877 1.00 0.00 C ATOM 1046 CD PRO A 67 8.938 -9.370 -5.461 1.00 0.00 C ATOM 0 HA PRO A 67 8.029 -9.068 -2.416 1.00 0.00 H new ATOM 0 HB2 PRO A 67 10.560 -8.099 -2.844 1.00 0.00 H new ATOM 0 HB3 PRO A 67 10.209 -9.813 -2.939 1.00 0.00 H new ATOM 0 HG2 PRO A 67 10.440 -7.805 -5.233 1.00 0.00 H new ATOM 0 HG3 PRO A 67 11.095 -9.428 -5.145 1.00 0.00 H new ATOM 0 HD2 PRO A 67 8.755 -8.974 -6.460 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.980 -10.455 -5.551 1.00 0.00 H new ATOM 1054 N ALA A 68 7.415 -6.733 -1.966 1.00 0.00 N ATOM 1055 CA ALA A 68 7.063 -5.364 -1.619 1.00 0.00 C ATOM 1056 C ALA A 68 7.602 -5.037 -0.229 1.00 0.00 C ATOM 1057 O ALA A 68 8.232 -5.875 0.415 1.00 0.00 O ATOM 1058 CB ALA A 68 5.546 -5.220 -1.738 1.00 0.00 C ATOM 0 H ALA A 68 7.025 -7.427 -1.328 1.00 0.00 H new ATOM 0 HA ALA A 68 7.517 -4.642 -2.298 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.256 -4.201 -1.483 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.239 -5.439 -2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.060 -5.917 -1.056 1.00 0.00 H new ATOM 1064 N PHE A 69 7.378 -3.824 0.281 1.00 0.00 N ATOM 1065 CA PHE A 69 8.044 -3.367 1.493 1.00 0.00 C ATOM 1066 C PHE A 69 7.341 -2.159 2.105 1.00 0.00 C ATOM 1067 O PHE A 69 6.738 -1.375 1.384 1.00 0.00 O ATOM 1068 CB PHE A 69 9.538 -3.099 1.245 1.00 0.00 C ATOM 1069 CG PHE A 69 10.417 -3.729 2.307 1.00 0.00 C ATOM 1070 CD1 PHE A 69 10.888 -5.044 2.135 1.00 0.00 C ATOM 1071 CD2 PHE A 69 10.615 -3.072 3.534 1.00 0.00 C ATOM 1072 CE1 PHE A 69 11.561 -5.694 3.183 1.00 0.00 C ATOM 1073 CE2 PHE A 69 11.251 -3.736 4.596 1.00 0.00 C ATOM 1074 CZ PHE A 69 11.738 -5.043 4.417 1.00 0.00 C ATOM 0 H PHE A 69 6.739 -3.143 -0.130 1.00 0.00 H new ATOM 0 HA PHE A 69 7.978 -4.172 2.224 1.00 0.00 H new ATOM 0 HB2 PHE A 69 9.818 -3.489 0.266 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.713 -2.023 1.222 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.732 -5.554 1.196 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.277 -2.054 3.660 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.943 -6.694 3.041 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.366 -3.243 5.550 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.247 -5.546 5.226 1.00 0.00 H new ATOM 1084 N VAL A 70 7.397 -2.022 3.432 1.00 0.00 N ATOM 1085 CA VAL A 70 6.834 -0.895 4.167 1.00 0.00 C ATOM 1086 C VAL A 70 7.970 0.075 4.468 1.00 0.00 C ATOM 1087 O VAL A 70 9.010 -0.340 4.972 1.00 0.00 O ATOM 1088 CB VAL A 70 6.137 -1.396 5.450 1.00 0.00 C ATOM 1089 CG1 VAL A 70 6.000 -0.327 6.537 1.00 0.00 C ATOM 1090 CG2 VAL A 70 4.723 -1.868 5.107 1.00 0.00 C ATOM 0 H VAL A 70 7.847 -2.710 4.036 1.00 0.00 H new ATOM 0 HA VAL A 70 6.074 -0.380 3.580 1.00 0.00 H new ATOM 0 HB VAL A 70 6.767 -2.197 5.837 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.501 -0.754 7.407 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.990 0.028 6.825 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.412 0.507 6.155 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.228 -2.222 6.011 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.155 -1.039 4.684 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.776 -2.679 4.381 1.00 0.00 H new ATOM 1100 N LYS A 71 7.773 1.356 4.147 1.00 0.00 N ATOM 1101 CA LYS A 71 8.679 2.422 4.560 1.00 0.00 C ATOM 1102 C LYS A 71 8.113 3.175 5.765 1.00 0.00 C ATOM 1103 O LYS A 71 8.724 3.188 6.830 1.00 0.00 O ATOM 1104 CB LYS A 71 8.960 3.390 3.413 1.00 0.00 C ATOM 1105 CG LYS A 71 9.530 2.674 2.188 1.00 0.00 C ATOM 1106 CD LYS A 71 9.999 3.745 1.199 1.00 0.00 C ATOM 1107 CE LYS A 71 11.523 3.916 1.182 1.00 0.00 C ATOM 1108 NZ LYS A 71 11.917 5.054 0.324 1.00 0.00 N ATOM 0 H LYS A 71 6.980 1.680 3.593 1.00 0.00 H new ATOM 0 HA LYS A 71 9.623 1.959 4.848 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.039 3.903 3.137 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.663 4.154 3.747 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.360 2.028 2.474 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.773 2.037 1.731 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.657 3.483 0.198 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.535 4.697 1.455 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.886 4.078 2.197 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.991 3.002 0.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.883 4.903 -0.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.261 5.127 -0.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.885 5.934 0.878 1.00 0.00 H new ATOM 1122 N LYS A 72 6.966 3.837 5.580 1.00 0.00 N ATOM 1123 CA LYS A 72 6.304 4.621 6.619 1.00 0.00 C ATOM 1124 C LYS A 72 5.147 3.797 7.175 1.00 0.00 C ATOM 1125 O LYS A 72 4.625 2.936 6.477 1.00 0.00 O ATOM 1126 CB LYS A 72 5.842 5.975 6.044 1.00 0.00 C ATOM 1127 CG LYS A 72 6.357 7.175 6.852 1.00 0.00 C ATOM 1128 CD LYS A 72 5.469 7.513 8.061 1.00 0.00 C ATOM 1129 CE LYS A 72 6.334 8.079 9.195 1.00 0.00 C ATOM 1130 NZ LYS A 72 5.524 8.574 10.326 1.00 0.00 N ATOM 0 H LYS A 72 6.467 3.841 4.690 1.00 0.00 H new ATOM 0 HA LYS A 72 6.990 4.847 7.436 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.186 6.063 5.014 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.753 6.001 6.019 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.369 6.965 7.199 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.419 8.046 6.199 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.708 8.239 7.774 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.945 6.620 8.401 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.015 7.305 9.550 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.949 8.892 8.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.085 9.247 10.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.674 9.050 9.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.242 7.774 10.927 1.00 0.00 H new ATOM 1144 N ILE A 73 4.774 4.050 8.428 1.00 0.00 N ATOM 1145 CA ILE A 73 3.796 3.280 9.173 1.00 0.00 C ATOM 1146 C ILE A 73 2.967 4.237 10.043 1.00 0.00 C ATOM 1147 O ILE A 73 3.353 5.399 10.221 1.00 0.00 O ATOM 1148 CB ILE A 73 4.561 2.189 9.942 1.00 0.00 C ATOM 1149 CG1 ILE A 73 3.678 1.005 10.361 1.00 0.00 C ATOM 1150 CG2 ILE A 73 5.269 2.820 11.137 1.00 0.00 C ATOM 1151 CD1 ILE A 73 4.542 -0.199 10.763 1.00 0.00 C ATOM 0 H ILE A 73 5.162 4.825 8.966 1.00 0.00 H new ATOM 0 HA ILE A 73 3.071 2.770 8.539 1.00 0.00 H new ATOM 0 HB ILE A 73 5.301 1.761 9.265 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.041 1.297 11.196 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.018 0.728 9.539 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.813 2.051 11.685 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.969 3.579 10.786 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.532 3.282 11.794 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.897 -1.028 11.057 1.00 0.00 H new ATOM 0 HD12 ILE A 73 5.160 -0.502 9.918 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.183 0.077 11.601 1.00 0.00 H new ATOM 1163 N GLU A 74 1.859 3.738 10.594 1.00 0.00 N ATOM 1164 CA GLU A 74 0.787 4.493 11.230 1.00 0.00 C ATOM 1165 C GLU A 74 1.213 5.003 12.611 1.00 0.00 C ATOM 1166 O GLU A 74 0.710 4.573 13.647 1.00 0.00 O ATOM 1167 CB GLU A 74 -0.456 3.580 11.287 1.00 0.00 C ATOM 1168 CG GLU A 74 -1.409 3.815 10.106 1.00 0.00 C ATOM 1169 CD GLU A 74 -0.743 3.908 8.734 1.00 0.00 C ATOM 1170 OE1 GLU A 74 0.274 3.209 8.536 1.00 0.00 O ATOM 1171 OE2 GLU A 74 -1.255 4.696 7.913 1.00 0.00 O ATOM 0 H GLU A 74 1.679 2.734 10.607 1.00 0.00 H new ATOM 0 HA GLU A 74 0.548 5.386 10.653 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.138 2.537 11.292 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.989 3.755 12.221 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.138 3.005 10.083 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.962 4.737 10.286 1.00 0.00 H new ATOM 1178 N GLY A 75 2.130 5.972 12.616 1.00 0.00 N ATOM 1179 CA GLY A 75 2.570 6.680 13.804 1.00 0.00 C ATOM 1180 C GLY A 75 3.821 7.488 13.474 1.00 0.00 C ATOM 1181 O GLY A 75 4.113 7.722 12.298 1.00 0.00 O ATOM 0 H GLY A 75 2.596 6.290 11.766 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.780 7.341 14.161 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.781 5.973 14.606 1.00 0.00 H new ATOM 1185 N ARG A 76 4.571 7.888 14.500 1.00 0.00 N ATOM 1186 CA ARG A 76 5.991 8.164 14.396 1.00 0.00 C ATOM 1187 C ARG A 76 6.639 7.067 15.228 1.00 0.00 C ATOM 1188 O ARG A 76 7.794 6.719 14.914 1.00 0.00 O ATOM 1189 CB ARG A 76 6.364 9.525 14.995 1.00 0.00 C ATOM 1190 CG ARG A 76 5.836 10.733 14.212 1.00 0.00 C ATOM 1191 CD ARG A 76 4.443 11.196 14.670 1.00 0.00 C ATOM 1192 NE ARG A 76 4.393 12.657 14.869 1.00 0.00 N ATOM 1193 CZ ARG A 76 4.980 13.316 15.884 1.00 0.00 C ATOM 1194 NH1 ARG A 76 5.658 12.633 16.812 1.00 0.00 N ATOM 1195 NH2 ARG A 76 4.900 14.650 15.961 1.00 0.00 N ATOM 1196 OXT ARG A 76 5.937 6.616 16.163 1.00 0.00 O ATOM 0 H ARG A 76 4.197 8.030 15.438 1.00 0.00 H new ATOM 0 HA ARG A 76 6.311 8.188 13.354 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.983 9.575 16.015 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.450 9.595 15.057 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.538 11.560 14.317 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.797 10.481 13.152 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.700 10.904 13.928 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.179 10.693 15.600 1.00 0.00 H new ATOM 0 HE ARG A 76 3.874 13.209 14.186 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.728 11.617 16.748 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.105 13.127 17.584 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.392 15.172 15.247 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.347 15.144 16.733 1.00 0.00 H new TER 1210 ARG A 76