USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 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 22 THR OG1 : rot -50:sc= 0.0508 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.3 K(o=0.35,f=-4.4!) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 168:sc= 1.03 (180deg=-0.0232) USER MOD Set 2.2: A 12 THR OG1 : rot 140:sc= 0.799 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.243 (180deg=-0.411) USER MOD Single : A 1 MET N :NH3+ -157:sc= 2.34 (180deg=2.24) USER MOD Single : A 2 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.42) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 153:sc= 1.2 (180deg=0.271!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0403 USER MOD Single : A 27 LYS NZ :NH3+ -153:sc= 1.13 (180deg=1.08) USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 1.24 (180deg=1.18) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.142 K(o=-0.14,f=-3.5!) USER MOD Single : A 41 GLN : amide:sc= 0.113 K(o=0.11,f=-4!) USER MOD Single : A 48 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0236) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 55 THR OG1 : rot -87:sc= 1.34 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.651 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.922 K(o=0.92,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.843 -7.616 -5.199 1.00 9.67 N ATOM 2 CA MET A 1 10.916 -8.034 -3.842 1.00 10.38 C ATOM 3 C MET A 1 9.547 -8.196 -3.300 1.00 9.62 C ATOM 4 O MET A 1 8.608 -7.667 -3.806 1.00 9.62 O ATOM 5 CB MET A 1 11.626 -6.964 -2.851 1.00 13.77 C ATOM 6 CG MET A 1 10.939 -5.566 -2.622 1.00 16.29 C ATOM 7 SD MET A 1 12.078 -4.412 -1.809 1.00 17.17 S ATOM 8 CE MET A 1 10.841 -3.126 -1.432 1.00 16.11 C ATOM 0 H1 MET A 1 11.725 -7.869 -5.688 1.00 9.67 H new ATOM 0 H2 MET A 1 10.041 -8.087 -5.665 1.00 9.67 H new ATOM 0 H3 MET A 1 10.709 -6.585 -5.238 1.00 9.67 H new ATOM 0 HA MET A 1 11.501 -8.953 -3.866 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.737 -7.440 -1.877 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.631 -6.779 -3.231 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.617 -5.153 -3.578 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.045 -5.691 -2.012 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.349 -2.189 -1.202 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.190 -2.983 -2.295 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.244 -3.436 -0.574 1.00 16.11 H new ATOM 20 N GLN A 2 9.415 -8.938 -2.250 1.00 9.27 N ATOM 21 CA GLN A 2 8.194 -9.173 -1.612 1.00 9.07 C ATOM 22 C GLN A 2 7.952 -8.187 -0.495 1.00 8.72 C ATOM 23 O GLN A 2 8.801 -7.811 0.306 1.00 8.22 O ATOM 24 CB GLN A 2 8.392 -10.608 -1.078 1.00 14.46 C ATOM 25 CG GLN A 2 7.226 -11.187 -0.214 1.00 17.01 C ATOM 26 CD GLN A 2 7.450 -12.625 0.177 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.481 -13.237 0.620 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.617 -13.265 -0.099 1.00 19.49 N ATOM 0 H GLN A 2 10.201 -9.412 -1.805 1.00 9.27 H new ATOM 0 HA GLN A 2 7.326 -9.061 -2.261 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.551 -11.271 -1.928 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.304 -10.629 -0.482 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.112 -10.583 0.687 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.292 -11.107 -0.771 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.411 -12.741 -0.466 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.698 -14.269 0.061 1.00 19.49 H new ATOM 37 N ILE A 3 6.704 -7.711 -0.317 1.00 5.87 N ATOM 38 CA ILE A 3 6.245 -6.907 0.879 1.00 5.07 C ATOM 39 C ILE A 3 5.042 -7.525 1.414 1.00 4.01 C ATOM 40 O ILE A 3 4.318 -8.227 0.734 1.00 4.61 O ATOM 41 CB ILE A 3 5.988 -5.406 0.631 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.984 -5.196 -0.542 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.297 -4.677 0.358 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.512 -3.691 -0.719 1.00 10.83 C ATOM 0 H ILE A 3 5.961 -7.866 -0.998 1.00 5.87 H new ATOM 0 HA ILE A 3 7.077 -6.927 1.583 1.00 5.07 H new ATOM 0 HB ILE A 3 5.542 -4.986 1.532 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.447 -5.533 -1.469 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.109 -5.824 -0.376 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.096 -3.620 0.185 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.959 -4.785 1.217 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.774 -5.104 -0.524 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.815 -3.624 -1.554 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.019 -3.355 0.193 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.378 -3.059 -0.917 1.00 10.83 H new ATOM 56 N PHE A 4 4.678 -7.158 2.693 1.00 4.55 N ATOM 57 CA PHE A 4 3.465 -7.626 3.329 1.00 4.68 C ATOM 58 C PHE A 4 2.432 -6.541 3.690 1.00 5.30 C ATOM 59 O PHE A 4 2.845 -5.456 4.104 1.00 5.58 O ATOM 60 CB PHE A 4 3.758 -8.404 4.698 1.00 4.83 C ATOM 61 CG PHE A 4 4.602 -9.613 4.440 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.081 -10.734 3.774 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.918 -9.725 5.008 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.819 -11.878 3.588 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.709 -10.805 4.677 1.00 10.61 C ATOM 66 CZ PHE A 4 6.160 -11.873 4.012 1.00 8.90 C ATOM 0 H PHE A 4 5.235 -6.534 3.277 1.00 4.55 H new ATOM 0 HA PHE A 4 3.048 -8.271 2.556 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.265 -7.741 5.399 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.818 -8.701 5.163 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.070 -10.696 3.397 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.284 -8.970 5.688 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.383 -12.754 3.130 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.756 -10.811 4.940 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.777 -12.736 3.808 1.00 8.90 H new ATOM 76 N VAL A 5 1.159 -6.709 3.326 1.00 4.44 N ATOM 77 CA VAL A 5 0.127 -5.670 3.507 1.00 3.87 C ATOM 78 C VAL A 5 -1.016 -6.300 4.355 1.00 4.93 C ATOM 79 O VAL A 5 -1.634 -7.249 3.906 1.00 6.84 O ATOM 80 CB VAL A 5 -0.501 -5.241 2.146 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.720 -4.332 2.338 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.605 -4.501 1.358 1.00 9.13 C ATOM 0 H VAL A 5 0.809 -7.566 2.897 1.00 4.44 H new ATOM 0 HA VAL A 5 0.584 -4.800 3.978 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.857 -6.119 1.607 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.126 -4.057 1.364 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.481 -4.860 2.912 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.421 -3.431 2.874 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.212 -4.180 0.394 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.934 -3.630 1.924 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.450 -5.171 1.200 1.00 9.13 H new ATOM 92 N LYS A 6 -1.175 -5.845 5.647 1.00 6.04 N ATOM 93 CA LYS A 6 -2.081 -6.455 6.605 1.00 6.12 C ATOM 94 C LYS A 6 -3.368 -5.590 6.635 1.00 6.57 C ATOM 95 O LYS A 6 -3.291 -4.409 6.559 1.00 5.76 O ATOM 96 CB LYS A 6 -1.455 -6.539 8.007 1.00 7.45 C ATOM 97 CG LYS A 6 -0.363 -7.639 8.104 1.00 11.12 C ATOM 98 CD LYS A 6 0.163 -7.808 9.525 1.00 14.54 C ATOM 99 CE LYS A 6 1.168 -8.956 9.626 1.00 18.84 C ATOM 100 NZ LYS A 6 0.587 -10.289 9.445 1.00 20.55 N ATOM 0 H LYS A 6 -0.665 -5.045 6.021 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.304 -7.479 6.304 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.019 -5.574 8.265 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.237 -6.742 8.739 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.773 -8.587 7.756 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.464 -7.386 7.440 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.636 -6.881 9.850 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.671 -7.995 10.201 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.946 -8.808 8.877 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.652 -8.914 10.602 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.349 -10.986 9.325 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.019 -10.537 10.280 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.020 -10.291 8.601 1.00 20.55 H new ATOM 114 N THR A 7 -4.498 -6.251 6.782 1.00 7.41 N ATOM 115 CA THR A 7 -5.760 -5.575 6.445 1.00 7.48 C ATOM 116 C THR A 7 -6.642 -5.679 7.714 1.00 8.75 C ATOM 117 O THR A 7 -6.357 -6.401 8.634 1.00 8.58 O ATOM 118 CB THR A 7 -6.473 -6.213 5.254 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.113 -7.410 5.589 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.516 -6.443 4.119 1.00 9.17 C ATOM 0 H THR A 7 -4.583 -7.211 7.116 1.00 7.41 H new ATOM 0 HA THR A 7 -5.565 -4.543 6.151 1.00 7.48 H new ATOM 0 HB THR A 7 -7.243 -5.508 4.940 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.555 -7.778 4.795 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.046 -6.898 3.282 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.090 -5.491 3.804 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.716 -7.108 4.446 1.00 9.17 H new ATOM 128 N LEU A 8 -7.760 -4.926 7.754 1.00 9.84 N ATOM 129 CA LEU A 8 -8.406 -4.791 9.023 1.00 14.15 C ATOM 130 C LEU A 8 -9.518 -5.758 9.135 1.00 17.37 C ATOM 131 O LEU A 8 -10.267 -5.775 10.117 1.00 17.01 O ATOM 132 CB LEU A 8 -8.987 -3.308 9.232 1.00 16.63 C ATOM 133 CG LEU A 8 -7.987 -2.244 9.521 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.653 -0.890 9.739 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.299 -2.553 10.877 1.00 18.59 C ATOM 0 H LEU A 8 -8.192 -4.442 6.967 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.659 -4.988 9.792 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.537 -3.026 8.334 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.706 -3.334 10.051 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.302 -2.217 8.674 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.891 -0.139 9.947 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.205 -0.608 8.843 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.340 -0.954 10.583 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.564 -1.778 11.097 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.049 -2.578 11.668 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.800 -3.520 10.820 1.00 18.59 H new ATOM 147 N THR A 9 -9.685 -6.687 8.207 1.00 18.33 N ATOM 148 CA THR A 9 -10.469 -7.867 8.389 1.00 19.24 C ATOM 149 C THR A 9 -9.589 -9.070 8.467 1.00 19.48 C ATOM 150 O THR A 9 -10.057 -10.210 8.459 1.00 23.14 O ATOM 151 CB THR A 9 -11.512 -8.132 7.293 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.943 -8.012 5.963 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.452 -6.937 7.441 1.00 19.70 C ATOM 0 H THR A 9 -9.259 -6.625 7.282 1.00 18.33 H new ATOM 0 HA THR A 9 -11.010 -7.687 9.318 1.00 19.24 H new ATOM 0 HB THR A 9 -11.948 -9.126 7.394 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.636 -8.189 5.293 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.252 -7.010 6.704 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.881 -6.934 8.443 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.895 -6.014 7.282 1.00 19.70 H new ATOM 161 N GLY A 10 -8.244 -8.902 8.635 1.00 19.43 N ATOM 162 CA GLY A 10 -7.301 -9.891 9.215 1.00 18.74 C ATOM 163 C GLY A 10 -6.537 -10.701 8.238 1.00 17.62 C ATOM 164 O GLY A 10 -5.703 -11.482 8.608 1.00 19.74 O ATOM 0 H GLY A 10 -7.775 -8.040 8.358 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.593 -9.360 9.851 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.863 -10.567 9.859 1.00 18.74 H new ATOM 168 N LYS A 11 -6.720 -10.451 6.936 1.00 13.56 N ATOM 169 CA LYS A 11 -5.768 -11.007 5.986 1.00 11.91 C ATOM 170 C LYS A 11 -4.381 -10.403 6.018 1.00 10.18 C ATOM 171 O LYS A 11 -4.204 -9.238 6.371 1.00 9.10 O ATOM 172 CB LYS A 11 -6.317 -10.839 4.512 1.00 13.43 C ATOM 173 CG LYS A 11 -5.626 -11.601 3.414 1.00 16.69 C ATOM 174 CD LYS A 11 -6.526 -11.697 2.100 1.00 17.92 C ATOM 175 CE LYS A 11 -6.062 -12.690 0.958 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.075 -12.664 -0.161 1.00 21.93 N ATOM 0 H LYS A 11 -7.478 -9.897 6.537 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.669 -12.049 6.289 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.368 -11.129 4.511 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.279 -9.779 4.259 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.681 -11.113 3.172 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.386 -12.605 3.764 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.533 -11.983 2.404 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.595 -10.699 1.668 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.080 -12.400 0.583 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.966 -13.701 1.355 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.609 -12.913 -1.057 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.830 -13.350 0.039 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.484 -11.711 -0.237 1.00 21.93 H new ATOM 190 N THR A 12 -3.346 -11.149 5.654 1.00 9.63 N ATOM 191 CA THR A 12 -2.098 -10.529 5.259 1.00 9.85 C ATOM 192 C THR A 12 -1.807 -10.800 3.794 1.00 11.66 C ATOM 193 O THR A 12 -1.621 -11.967 3.362 1.00 12.33 O ATOM 194 CB THR A 12 -1.032 -11.159 6.086 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.262 -10.951 7.469 1.00 10.91 O ATOM 196 CG2 THR A 12 0.345 -10.399 5.839 1.00 9.63 C ATOM 0 H THR A 12 -3.349 -12.169 5.625 1.00 9.63 H new ATOM 0 HA THR A 12 -2.146 -9.450 5.403 1.00 9.85 H new ATOM 0 HB THR A 12 -1.019 -12.216 5.818 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.043 -11.768 7.964 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.127 -10.858 6.443 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.614 -10.467 4.785 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.238 -9.351 6.120 1.00 9.63 H new ATOM 204 N ILE A 13 -1.864 -9.750 2.969 1.00 10.42 N ATOM 205 CA ILE A 13 -1.707 -9.756 1.555 1.00 11.84 C ATOM 206 C ILE A 13 -0.214 -9.738 1.217 1.00 10.55 C ATOM 207 O ILE A 13 0.524 -8.958 1.809 1.00 11.92 O ATOM 208 CB ILE A 13 -2.465 -8.700 0.769 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.744 -8.108 1.457 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.819 -9.324 -0.642 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.403 -6.951 0.764 1.00 16.46 C ATOM 0 H ILE A 13 -2.036 -8.810 3.326 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.182 -10.679 1.223 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.808 -7.834 0.690 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.478 -8.908 1.558 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.474 -7.793 2.465 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -3.366 -8.592 -1.237 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.900 -9.598 -1.160 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.436 -10.212 -0.503 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.274 -6.632 1.336 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.697 -6.124 0.686 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.717 -7.256 -0.234 1.00 16.46 H new ATOM 223 N THR A 14 0.236 -10.612 0.292 1.00 9.39 N ATOM 224 CA THR A 14 1.664 -10.754 -0.195 1.00 9.63 C ATOM 225 C THR A 14 1.716 -10.212 -1.630 1.00 11.20 C ATOM 226 O THR A 14 1.041 -10.680 -2.556 1.00 11.63 O ATOM 227 CB THR A 14 2.077 -12.249 -0.186 1.00 10.38 C ATOM 228 OG1 THR A 14 2.080 -12.851 1.110 1.00 16.30 O ATOM 229 CG2 THR A 14 3.537 -12.199 -0.515 1.00 11.66 C ATOM 0 H THR A 14 -0.393 -11.272 -0.166 1.00 9.39 H new ATOM 0 HA THR A 14 2.347 -10.204 0.452 1.00 9.63 H new ATOM 0 HB THR A 14 1.398 -12.799 -0.837 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.348 -13.791 1.034 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.940 -13.212 -0.536 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.674 -11.733 -1.491 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.061 -11.616 0.242 1.00 11.66 H new ATOM 237 N LEU A 15 2.567 -9.152 -1.886 1.00 8.29 N ATOM 238 CA LEU A 15 2.640 -8.481 -3.184 1.00 9.03 C ATOM 239 C LEU A 15 4.109 -8.461 -3.696 1.00 8.59 C ATOM 240 O LEU A 15 5.041 -8.833 -3.023 1.00 7.79 O ATOM 241 CB LEU A 15 2.126 -6.982 -3.177 1.00 11.08 C ATOM 242 CG LEU A 15 0.687 -6.713 -2.648 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.515 -5.273 -2.062 1.00 15.88 C ATOM 244 CD2 LEU A 15 -0.393 -7.086 -3.648 1.00 15.27 C ATOM 0 H LEU A 15 3.202 -8.765 -1.188 1.00 8.29 H new ATOM 0 HA LEU A 15 1.982 -9.058 -3.833 1.00 9.03 H new ATOM 0 HB2 LEU A 15 2.819 -6.392 -2.577 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.185 -6.603 -4.197 1.00 11.08 H new ATOM 0 HG LEU A 15 0.548 -7.391 -1.806 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.508 -5.144 -1.709 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.206 -5.134 -1.231 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.727 -4.537 -2.837 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -1.373 -6.875 -3.220 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.262 -6.503 -4.560 1.00 15.27 H new ATOM 0 HD23 LEU A 15 -0.320 -8.148 -3.883 1.00 15.27 H new ATOM 256 N GLU A 16 4.292 -8.080 -4.949 1.00 11.04 N ATOM 257 CA GLU A 16 5.573 -8.182 -5.586 1.00 11.50 C ATOM 258 C GLU A 16 5.850 -6.854 -6.235 1.00 10.13 C ATOM 259 O GLU A 16 5.118 -6.264 -7.095 1.00 9.83 O ATOM 260 CB GLU A 16 5.627 -9.360 -6.528 1.00 17.22 C ATOM 261 CG GLU A 16 6.891 -9.635 -7.307 1.00 23.33 C ATOM 262 CD GLU A 16 8.076 -9.891 -6.395 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.004 -10.872 -5.614 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.132 -9.211 -6.571 1.00 28.86 O ATOM 0 H GLU A 16 3.556 -7.695 -5.541 1.00 11.04 H new ATOM 0 HA GLU A 16 6.365 -8.386 -4.866 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.402 -10.254 -5.946 1.00 17.22 H new ATOM 0 HB3 GLU A 16 4.819 -9.238 -7.250 1.00 17.22 H new ATOM 0 HG2 GLU A 16 6.738 -10.499 -7.953 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.109 -8.786 -7.955 1.00 23.33 H new ATOM 271 N VAL A 17 7.013 -6.259 -5.827 1.00 8.99 N ATOM 272 CA VAL A 17 7.227 -4.853 -5.968 1.00 8.85 C ATOM 273 C VAL A 17 8.716 -4.581 -6.170 1.00 8.04 C ATOM 274 O VAL A 17 9.541 -5.380 -5.702 1.00 8.99 O ATOM 275 CB VAL A 17 6.789 -4.058 -4.686 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.243 -4.032 -4.662 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.408 -4.762 -3.444 1.00 10.54 C ATOM 0 H VAL A 17 7.792 -6.763 -5.403 1.00 8.99 H new ATOM 0 HA VAL A 17 6.632 -4.527 -6.821 1.00 8.85 H new ATOM 0 HB VAL A 17 7.143 -3.027 -4.683 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.902 -3.486 -3.782 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.873 -3.539 -5.561 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.862 -5.053 -4.626 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.117 -4.227 -2.540 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.046 -5.789 -3.390 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.495 -4.764 -3.531 1.00 10.54 H new ATOM 287 N GLU A 18 9.146 -3.477 -6.842 1.00 7.29 N ATOM 288 CA GLU A 18 10.533 -2.995 -6.844 1.00 7.08 C ATOM 289 C GLU A 18 10.569 -1.830 -5.950 1.00 6.45 C ATOM 290 O GLU A 18 9.548 -1.189 -5.811 1.00 5.28 O ATOM 291 CB GLU A 18 11.010 -2.670 -8.248 1.00 10.28 C ATOM 292 CG GLU A 18 11.199 -3.932 -9.068 1.00 12.65 C ATOM 293 CD GLU A 18 12.203 -4.930 -8.568 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.338 -4.584 -8.147 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.824 -6.133 -8.518 1.00 14.33 O ATOM 0 H GLU A 18 8.520 -2.897 -7.402 1.00 7.29 H new ATOM 0 HA GLU A 18 11.219 -3.764 -6.488 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.287 -2.019 -8.739 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.951 -2.121 -8.198 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.234 -4.433 -9.145 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.487 -3.639 -10.078 1.00 12.65 H new ATOM 302 N PRO A 19 11.721 -1.419 -5.379 1.00 7.24 N ATOM 303 CA PRO A 19 11.754 -0.262 -4.416 1.00 7.07 C ATOM 304 C PRO A 19 11.446 1.072 -5.080 1.00 6.65 C ATOM 305 O PRO A 19 11.145 2.098 -4.399 1.00 6.37 O ATOM 306 CB PRO A 19 13.187 -0.253 -3.860 1.00 7.61 C ATOM 307 CG PRO A 19 13.715 -1.674 -4.197 1.00 8.16 C ATOM 308 CD PRO A 19 12.991 -2.064 -5.490 1.00 7.49 C ATOM 0 HA PRO A 19 10.992 -0.385 -3.647 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.794 0.522 -4.328 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.200 -0.064 -2.787 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.796 -1.672 -4.334 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.497 -2.378 -3.394 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.536 -1.725 -6.371 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.884 -3.145 -5.578 1.00 7.49 H new ATOM 316 N SER A 20 11.419 1.173 -6.433 1.00 6.80 N ATOM 317 CA SER A 20 11.248 2.335 -7.175 1.00 6.28 C ATOM 318 C SER A 20 9.763 2.397 -7.714 1.00 8.45 C ATOM 319 O SER A 20 9.394 3.412 -8.270 1.00 7.26 O ATOM 320 CB SER A 20 12.077 2.307 -8.496 1.00 8.57 C ATOM 321 OG SER A 20 12.293 1.007 -9.027 1.00 11.13 O ATOM 0 H SER A 20 11.529 0.352 -7.028 1.00 6.80 H new ATOM 0 HA SER A 20 11.535 3.155 -6.517 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.565 2.911 -9.245 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.044 2.777 -8.314 1.00 8.57 H new ATOM 0 HG SER A 20 12.817 1.074 -9.853 1.00 11.13 H new ATOM 327 N ASP A 21 8.909 1.377 -7.472 1.00 7.50 N ATOM 328 CA ASP A 21 7.434 1.537 -7.513 1.00 7.70 C ATOM 329 C ASP A 21 6.968 2.622 -6.515 1.00 7.08 C ATOM 330 O ASP A 21 7.450 2.846 -5.440 1.00 8.11 O ATOM 331 CB ASP A 21 6.750 0.144 -7.155 1.00 11.00 C ATOM 332 CG ASP A 21 6.846 -0.797 -8.331 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.563 -0.353 -9.451 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.269 -1.983 -8.155 1.00 18.03 O ATOM 0 H ASP A 21 9.215 0.431 -7.245 1.00 7.50 H new ATOM 0 HA ASP A 21 7.141 1.850 -8.515 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.238 -0.297 -6.286 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.705 0.301 -6.889 1.00 11.00 H new ATOM 339 N THR A 22 5.924 3.343 -6.895 1.00 5.37 N ATOM 340 CA THR A 22 5.279 4.423 -6.157 1.00 6.01 C ATOM 341 C THR A 22 4.075 3.764 -5.350 1.00 8.01 C ATOM 342 O THR A 22 3.635 2.613 -5.536 1.00 8.11 O ATOM 343 CB THR A 22 4.797 5.618 -6.871 1.00 8.92 C ATOM 344 OG1 THR A 22 3.726 5.334 -7.798 1.00 10.22 O ATOM 345 CG2 THR A 22 5.895 6.313 -7.720 1.00 9.65 C ATOM 0 H THR A 22 5.471 3.178 -7.794 1.00 5.37 H new ATOM 0 HA THR A 22 6.079 4.851 -5.553 1.00 6.01 H new ATOM 0 HB THR A 22 4.459 6.263 -6.060 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.978 4.577 -8.367 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.472 7.185 -8.219 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.712 6.627 -7.071 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.273 5.615 -8.468 1.00 9.65 H new ATOM 353 N ILE A 23 3.526 4.496 -4.357 1.00 8.32 N ATOM 354 CA ILE A 23 2.294 3.985 -3.635 1.00 9.92 C ATOM 355 C ILE A 23 1.109 3.826 -4.523 1.00 10.01 C ATOM 356 O ILE A 23 0.339 2.898 -4.326 1.00 8.71 O ATOM 357 CB ILE A 23 1.952 4.857 -2.401 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.210 4.873 -1.516 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.671 4.197 -1.739 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.590 3.425 -0.983 1.00 12.30 C ATOM 0 H ILE A 23 3.877 5.398 -4.034 1.00 8.32 H new ATOM 0 HA ILE A 23 2.551 2.985 -3.287 1.00 9.92 H new ATOM 0 HB ILE A 23 1.704 5.897 -2.612 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.046 5.280 -2.084 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.047 5.539 -0.668 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.380 4.770 -0.859 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.149 4.194 -2.457 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.900 3.173 -1.445 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.484 3.489 -0.363 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.766 3.027 -0.391 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.781 2.764 -1.829 1.00 12.30 H new ATOM 372 N GLU A 24 1.002 4.643 -5.574 1.00 9.54 N ATOM 373 CA GLU A 24 0.169 4.469 -6.759 1.00 11.81 C ATOM 374 C GLU A 24 0.312 3.092 -7.510 1.00 11.14 C ATOM 375 O GLU A 24 -0.605 2.490 -7.992 1.00 10.62 O ATOM 376 CB GLU A 24 0.241 5.768 -7.566 1.00 19.24 C ATOM 377 CG GLU A 24 -0.578 5.777 -8.852 1.00 27.76 C ATOM 378 CD GLU A 24 -1.059 7.155 -9.207 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.209 8.023 -9.447 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.282 7.448 -9.355 1.00 36.51 O ATOM 0 H GLU A 24 1.539 5.509 -5.618 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.875 4.331 -6.477 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.096 6.589 -6.934 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.284 5.965 -7.816 1.00 19.24 H new ATOM 0 HG2 GLU A 24 0.027 5.383 -9.669 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.435 5.112 -8.740 1.00 27.76 H new ATOM 387 N ASN A 25 1.554 2.558 -7.604 1.00 9.43 N ATOM 388 CA ASN A 25 1.824 1.277 -8.193 1.00 10.96 C ATOM 389 C ASN A 25 1.336 0.157 -7.314 1.00 9.68 C ATOM 390 O ASN A 25 0.836 -0.884 -7.700 1.00 9.33 O ATOM 391 CB ASN A 25 3.281 1.013 -8.735 1.00 16.78 C ATOM 392 CG ASN A 25 3.638 2.157 -9.721 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.700 2.794 -9.539 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.817 2.480 -10.689 1.00 24.70 N ATOM 0 H ASN A 25 2.389 3.032 -7.261 1.00 9.43 H new ATOM 0 HA ASN A 25 1.241 1.304 -9.114 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.995 0.982 -7.912 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.332 0.047 -9.237 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.039 3.260 -11.307 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.955 1.951 -10.825 1.00 24.70 H new ATOM 401 N VAL A 26 1.550 0.293 -5.976 1.00 6.52 N ATOM 402 CA VAL A 26 1.060 -0.709 -4.999 1.00 5.53 C ATOM 403 C VAL A 26 -0.456 -0.833 -4.967 1.00 4.42 C ATOM 404 O VAL A 26 -1.086 -1.864 -5.243 1.00 3.40 O ATOM 405 CB VAL A 26 1.540 -0.375 -3.614 1.00 3.86 C ATOM 406 CG1 VAL A 26 0.829 -1.116 -2.534 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.050 -0.669 -3.497 1.00 8.12 C ATOM 0 H VAL A 26 2.052 1.077 -5.558 1.00 6.52 H new ATOM 0 HA VAL A 26 1.466 -1.665 -5.331 1.00 5.53 H new ATOM 0 HB VAL A 26 1.328 0.685 -3.473 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.231 -0.821 -1.565 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.235 -0.882 -2.572 1.00 7.25 H new ATOM 0 HG13 VAL A 26 0.970 -2.188 -2.674 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.391 -0.425 -2.491 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.231 -1.725 -3.695 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.596 -0.065 -4.222 1.00 8.12 H new ATOM 417 N LYS A 27 -1.165 0.360 -4.851 1.00 2.64 N ATOM 418 CA LYS A 27 -2.618 0.356 -4.929 1.00 4.14 C ATOM 419 C LYS A 27 -3.240 -0.230 -6.197 1.00 5.58 C ATOM 420 O LYS A 27 -4.276 -0.894 -6.124 1.00 4.11 O ATOM 421 CB LYS A 27 -3.265 1.756 -4.683 1.00 3.97 C ATOM 422 CG LYS A 27 -2.898 2.383 -3.342 1.00 7.45 C ATOM 423 CD LYS A 27 -3.507 3.736 -3.099 1.00 9.02 C ATOM 424 CE LYS A 27 -2.878 4.799 -3.955 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.332 6.157 -3.432 1.00 15.47 N ATOM 0 H LYS A 27 -0.741 1.277 -4.710 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.853 -0.326 -4.112 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.961 2.431 -5.483 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.349 1.659 -4.742 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.209 1.710 -2.543 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.813 2.470 -3.281 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.577 3.694 -3.302 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.392 4.002 -2.048 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.791 4.722 -3.921 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.174 4.674 -4.997 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.317 6.850 -4.207 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.298 6.079 -3.056 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -2.690 6.470 -2.676 1.00 15.47 H new ATOM 439 N ALA A 28 -2.626 -0.021 -7.374 1.00 6.61 N ATOM 440 CA ALA A 28 -2.902 -0.736 -8.575 1.00 7.74 C ATOM 441 C ALA A 28 -2.697 -2.240 -8.595 1.00 9.17 C ATOM 442 O ALA A 28 -3.545 -3.050 -9.010 1.00 11.45 O ATOM 443 CB ALA A 28 -2.145 -0.082 -9.765 1.00 7.68 C ATOM 0 H ALA A 28 -1.899 0.685 -7.491 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.985 -0.645 -8.660 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.360 -0.633 -10.680 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.471 0.952 -9.879 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.073 -0.105 -9.571 1.00 7.68 H new ATOM 449 N LYS A 29 -1.576 -2.703 -7.929 1.00 8.96 N ATOM 450 CA LYS A 29 -1.307 -4.142 -7.663 1.00 7.90 C ATOM 451 C LYS A 29 -2.277 -4.807 -6.702 1.00 6.92 C ATOM 452 O LYS A 29 -2.554 -6.016 -6.772 1.00 6.87 O ATOM 453 CB LYS A 29 0.139 -4.317 -7.201 1.00 10.28 C ATOM 454 CG LYS A 29 1.203 -4.056 -8.251 1.00 14.94 C ATOM 455 CD LYS A 29 2.644 -4.009 -7.644 1.00 19.69 C ATOM 456 CE LYS A 29 3.787 -3.749 -8.610 1.00 22.63 C ATOM 457 NZ LYS A 29 4.312 -4.850 -9.310 1.00 24.98 N ATOM 0 H LYS A 29 -0.850 -2.083 -7.571 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.466 -4.661 -8.609 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.315 -3.648 -6.358 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.262 -5.335 -6.831 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.158 -4.836 -9.011 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.992 -3.111 -8.751 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.664 -3.234 -6.878 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.832 -4.958 -7.143 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.448 -3.016 -9.342 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.601 -3.287 -8.051 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.105 -4.537 -9.906 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.649 -5.564 -8.633 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.571 -5.265 -9.910 1.00 24.98 H new ATOM 471 N ILE A 30 -2.753 -4.049 -5.680 1.00 4.57 N ATOM 472 CA ILE A 30 -3.818 -4.515 -4.761 1.00 5.58 C ATOM 473 C ILE A 30 -5.139 -4.701 -5.508 1.00 7.26 C ATOM 474 O ILE A 30 -5.703 -5.771 -5.414 1.00 9.46 O ATOM 475 CB ILE A 30 -4.029 -3.643 -3.513 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.836 -3.908 -2.591 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.372 -3.945 -2.813 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.778 -3.106 -1.329 1.00 2.00 C ATOM 0 H ILE A 30 -2.413 -3.110 -5.474 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.461 -5.474 -4.386 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.082 -2.589 -3.787 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.839 -4.965 -2.324 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.921 -3.724 -3.155 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.478 -3.305 -1.937 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.193 -3.753 -3.503 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.394 -4.990 -2.504 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.889 -3.384 -0.762 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.735 -2.045 -1.574 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.667 -3.305 -0.730 1.00 2.00 H new ATOM 490 N GLN A 31 -5.522 -3.726 -6.362 1.00 7.06 N ATOM 491 CA GLN A 31 -6.579 -3.870 -7.336 1.00 8.67 C ATOM 492 C GLN A 31 -6.391 -5.068 -8.180 1.00 10.90 C ATOM 493 O GLN A 31 -7.365 -5.769 -8.483 1.00 9.63 O ATOM 494 CB GLN A 31 -6.717 -2.579 -8.240 1.00 9.12 C ATOM 495 CG GLN A 31 -7.954 -2.690 -9.196 1.00 10.76 C ATOM 496 CD GLN A 31 -8.266 -1.460 -10.018 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.321 -0.858 -9.803 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.312 -1.022 -10.833 1.00 14.76 N ATOM 0 H GLN A 31 -5.084 -2.805 -6.378 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.505 -3.996 -6.774 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.820 -1.697 -7.607 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.809 -2.444 -8.828 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.789 -3.526 -9.876 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.831 -2.935 -8.597 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.463 -1.571 -10.965 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.429 -0.137 -11.326 1.00 14.76 H new ATOM 507 N ASP A 32 -5.141 -5.321 -8.585 1.00 10.93 N ATOM 508 CA ASP A 32 -4.924 -6.465 -9.471 1.00 14.01 C ATOM 509 C ASP A 32 -5.069 -7.794 -8.722 1.00 14.04 C ATOM 510 O ASP A 32 -5.707 -8.788 -9.110 1.00 13.39 O ATOM 511 CB ASP A 32 -3.559 -6.415 -10.294 1.00 18.01 C ATOM 512 CG ASP A 32 -3.405 -7.451 -11.358 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.043 -7.327 -12.437 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.636 -8.448 -11.228 1.00 26.29 O ATOM 0 H ASP A 32 -4.311 -4.785 -8.332 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.715 -6.395 -10.217 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.470 -5.431 -10.755 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.730 -6.515 -9.593 1.00 18.01 H new ATOM 519 N LYS A 33 -4.614 -7.845 -7.479 1.00 14.22 N ATOM 520 CA LYS A 33 -4.652 -9.024 -6.608 1.00 14.00 C ATOM 521 C LYS A 33 -6.017 -9.288 -5.970 1.00 12.37 C ATOM 522 O LYS A 33 -6.569 -10.359 -6.097 1.00 12.17 O ATOM 523 CB LYS A 33 -3.560 -8.832 -5.515 1.00 18.62 C ATOM 524 CG LYS A 33 -3.288 -10.088 -4.576 1.00 24.00 C ATOM 525 CD LYS A 33 -2.668 -11.278 -5.214 1.00 27.61 C ATOM 526 CE LYS A 33 -1.142 -11.235 -5.520 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.734 -12.512 -6.070 1.00 30.06 N ATOM 0 H LYS A 33 -4.190 -7.036 -7.025 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.459 -9.905 -7.221 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.625 -8.561 -6.006 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.846 -7.988 -4.887 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.644 -9.767 -3.757 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.236 -10.394 -4.135 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.855 -12.137 -4.569 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.191 -11.464 -6.152 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.922 -10.434 -6.226 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.582 -11.021 -4.610 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.285 -12.491 -6.277 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.932 -13.266 -5.381 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.262 -12.697 -6.947 1.00 30.06 H new ATOM 541 N GLU A 34 -6.624 -8.281 -5.307 1.00 10.11 N ATOM 542 CA GLU A 34 -7.778 -8.548 -4.467 1.00 10.07 C ATOM 543 C GLU A 34 -9.073 -7.921 -5.055 1.00 9.32 C ATOM 544 O GLU A 34 -10.175 -8.064 -4.451 1.00 11.61 O ATOM 545 CB GLU A 34 -7.469 -7.877 -3.127 1.00 14.77 C ATOM 546 CG GLU A 34 -6.357 -8.491 -2.301 1.00 18.75 C ATOM 547 CD GLU A 34 -6.626 -9.918 -1.853 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.686 -10.252 -1.199 1.00 25.19 O ATOM 549 OE2 GLU A 34 -5.769 -10.785 -2.159 1.00 21.95 O ATOM 0 H GLU A 34 -6.333 -7.304 -5.344 1.00 10.11 H new ATOM 0 HA GLU A 34 -7.949 -9.621 -4.382 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.215 -6.834 -3.319 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.379 -7.878 -2.527 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.435 -8.473 -2.883 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.190 -7.871 -1.420 1.00 18.75 H new ATOM 556 N GLY A 35 -8.939 -7.216 -6.142 1.00 7.22 N ATOM 557 CA GLY A 35 -9.989 -6.532 -6.926 1.00 6.29 C ATOM 558 C GLY A 35 -10.358 -5.124 -6.470 1.00 6.93 C ATOM 559 O GLY A 35 -11.312 -4.551 -6.985 1.00 7.41 O ATOM 0 H GLY A 35 -8.018 -7.078 -6.559 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.663 -6.482 -7.965 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.889 -7.147 -6.904 1.00 6.29 H new ATOM 563 N ILE A 36 -9.729 -4.629 -5.412 1.00 5.86 N ATOM 564 CA ILE A 36 -10.152 -3.455 -4.674 1.00 6.07 C ATOM 565 C ILE A 36 -9.686 -2.186 -5.437 1.00 6.36 C ATOM 566 O ILE A 36 -8.478 -2.002 -5.692 1.00 6.18 O ATOM 567 CB ILE A 36 -9.598 -3.442 -3.208 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.710 -4.777 -2.475 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.191 -2.237 -2.511 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.165 -4.859 -1.042 1.00 9.49 C ATOM 0 H ILE A 36 -8.881 -5.052 -5.034 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.239 -3.473 -4.599 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.514 -3.328 -3.215 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.763 -5.056 -2.448 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.195 -5.530 -3.072 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.827 -2.195 -1.484 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.896 -1.330 -3.038 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.278 -2.317 -2.507 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.315 -5.866 -0.653 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.100 -4.625 -1.044 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.693 -4.144 -0.411 1.00 9.49 H new ATOM 582 N PRO A 37 -10.630 -1.255 -5.756 1.00 8.65 N ATOM 583 CA PRO A 37 -10.255 -0.039 -6.349 1.00 9.18 C ATOM 584 C PRO A 37 -9.155 0.795 -5.669 1.00 9.85 C ATOM 585 O PRO A 37 -9.186 0.775 -4.409 1.00 8.51 O ATOM 586 CB PRO A 37 -11.556 0.729 -6.480 1.00 11.42 C ATOM 587 CG PRO A 37 -12.683 -0.254 -6.197 1.00 9.27 C ATOM 588 CD PRO A 37 -12.025 -1.222 -5.286 1.00 8.33 C ATOM 0 HA PRO A 37 -9.757 -0.260 -7.293 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.585 1.562 -5.777 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.655 1.152 -7.480 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.539 0.231 -5.728 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.046 -0.732 -7.107 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.089 -0.900 -4.247 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.490 -2.206 -5.344 1.00 8.33 H new ATOM 596 N PRO A 38 -8.292 1.546 -6.399 1.00 8.71 N ATOM 597 CA PRO A 38 -7.279 2.335 -5.746 1.00 9.08 C ATOM 598 C PRO A 38 -7.976 3.580 -5.133 1.00 9.28 C ATOM 599 O PRO A 38 -7.471 4.188 -4.177 1.00 6.50 O ATOM 600 CB PRO A 38 -6.285 2.643 -6.898 1.00 10.31 C ATOM 601 CG PRO A 38 -7.127 2.534 -8.143 1.00 10.81 C ATOM 602 CD PRO A 38 -7.988 1.328 -7.823 1.00 12.00 C ATOM 0 HA PRO A 38 -6.749 1.866 -4.917 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.851 3.637 -6.795 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.458 1.934 -6.912 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.724 3.430 -8.314 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.521 2.380 -9.036 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.890 1.296 -8.434 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.457 0.391 -7.989 1.00 12.00 H new ATOM 610 N ASP A 39 -9.228 3.838 -5.563 1.00 11.20 N ATOM 611 CA ASP A 39 -10.119 4.887 -5.048 1.00 14.96 C ATOM 612 C ASP A 39 -10.558 4.577 -3.626 1.00 13.99 C ATOM 613 O ASP A 39 -10.774 5.443 -2.762 1.00 13.75 O ATOM 614 CB ASP A 39 -11.430 5.010 -5.820 1.00 24.16 C ATOM 615 CG ASP A 39 -11.118 5.623 -7.146 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.620 6.741 -7.135 1.00 35.55 O ATOM 617 OD2 ASP A 39 -11.305 4.869 -8.153 1.00 34.22 O ATOM 0 H ASP A 39 -9.660 3.295 -6.311 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.529 5.799 -5.134 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.891 4.031 -5.950 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -12.141 5.627 -5.271 1.00 24.16 H new ATOM 622 N GLN A 40 -10.548 3.253 -3.295 1.00 11.60 N ATOM 623 CA GLN A 40 -10.984 2.755 -2.021 1.00 10.76 C ATOM 624 C GLN A 40 -9.820 2.526 -1.071 1.00 8.01 C ATOM 625 O GLN A 40 -10.053 2.068 0.034 1.00 8.96 O ATOM 626 CB GLN A 40 -11.877 1.467 -2.164 1.00 11.14 C ATOM 627 CG GLN A 40 -12.832 1.195 -1.030 1.00 14.85 C ATOM 628 CD GLN A 40 -13.358 -0.211 -1.113 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.312 -0.872 -2.118 1.00 20.52 O ATOM 630 NE2 GLN A 40 -13.864 -0.676 0.067 1.00 18.16 N ATOM 0 H GLN A 40 -10.229 2.523 -3.932 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.610 3.531 -1.581 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.453 1.549 -3.086 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.220 0.604 -2.274 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.326 1.345 -0.076 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.660 1.903 -1.066 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.879 -0.072 0.889 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.227 -1.627 0.127 1.00 18.16 H new ATOM 639 N GLN A 41 -8.541 2.754 -1.514 1.00 6.52 N ATOM 640 CA GLN A 41 -7.383 2.389 -0.714 1.00 3.87 C ATOM 641 C GLN A 41 -6.620 3.516 -0.028 1.00 4.79 C ATOM 642 O GLN A 41 -6.356 4.658 -0.475 1.00 6.34 O ATOM 643 CB GLN A 41 -6.364 1.601 -1.581 1.00 4.20 C ATOM 644 CG GLN A 41 -6.903 0.218 -2.002 1.00 3.20 C ATOM 645 CD GLN A 41 -5.916 -0.557 -2.933 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.795 -0.733 -2.519 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.357 -0.970 -4.119 1.00 7.13 N ATOM 0 H GLN A 41 -8.316 3.184 -2.411 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.823 1.799 0.090 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.122 2.181 -2.472 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.437 1.473 -1.022 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.098 -0.378 -1.110 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.856 0.345 -2.516 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.320 -0.783 -4.398 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.732 -1.474 -4.748 1.00 7.13 H new ATOM 656 N ARG A 42 -6.109 3.166 1.181 1.00 5.73 N ATOM 657 CA ARG A 42 -5.158 3.899 1.931 1.00 6.97 C ATOM 658 C ARG A 42 -4.188 2.952 2.609 1.00 7.15 C ATOM 659 O ARG A 42 -4.563 1.894 3.065 1.00 7.33 O ATOM 660 CB ARG A 42 -5.835 4.710 3.071 1.00 13.23 C ATOM 661 CG ARG A 42 -6.927 5.677 2.661 1.00 21.27 C ATOM 662 CD ARG A 42 -7.736 5.986 3.909 1.00 26.14 C ATOM 663 NE ARG A 42 -8.339 7.403 3.780 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.358 7.871 4.468 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.161 7.151 5.244 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.543 9.212 4.456 1.00 36.39 N ATOM 0 H ARG A 42 -6.392 2.307 1.652 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.655 4.566 1.231 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.256 4.004 3.787 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.062 5.272 3.595 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.499 6.588 2.243 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.560 5.239 1.889 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.529 5.249 4.035 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.102 5.926 4.793 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.909 8.031 3.101 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -10.010 6.147 5.342 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.929 7.602 5.741 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.906 9.810 3.929 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.319 9.624 4.974 1.00 36.39 H new ATOM 680 N LEU A 43 -2.911 3.270 2.595 1.00 4.65 N ATOM 681 CA LEU A 43 -1.812 2.528 3.208 1.00 3.51 C ATOM 682 C LEU A 43 -1.090 3.301 4.306 1.00 5.56 C ATOM 683 O LEU A 43 -0.961 4.493 4.253 1.00 4.19 O ATOM 684 CB LEU A 43 -0.815 2.024 2.182 1.00 3.74 C ATOM 685 CG LEU A 43 -1.419 1.040 1.213 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.493 0.954 0.008 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.393 -0.346 1.921 1.00 6.41 C ATOM 0 H LEU A 43 -2.583 4.113 2.123 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.288 1.669 3.681 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.412 2.871 1.628 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.022 1.552 2.697 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.426 1.329 0.912 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.902 0.248 -0.715 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.405 1.937 -0.454 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.492 0.615 0.329 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.821 -1.100 1.261 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.363 -0.614 2.158 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.976 -0.296 2.841 1.00 6.41 H new ATOM 699 N ILE A 44 -0.776 2.601 5.408 1.00 4.58 N ATOM 700 CA ILE A 44 -0.188 3.207 6.613 1.00 5.55 C ATOM 701 C ILE A 44 1.094 2.482 6.961 1.00 5.46 C ATOM 702 O ILE A 44 1.019 1.267 7.107 1.00 6.04 O ATOM 703 CB ILE A 44 -1.129 3.361 7.823 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.320 4.276 7.450 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.377 3.912 9.014 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.297 4.578 8.574 1.00 13.90 C ATOM 0 H ILE A 44 -0.924 1.595 5.488 1.00 4.58 H new ATOM 0 HA ILE A 44 0.026 4.244 6.355 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.517 2.380 8.097 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.925 5.220 7.073 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.869 3.811 6.631 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.058 4.014 9.859 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.432 3.232 9.280 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.038 4.888 8.763 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.090 5.226 8.202 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.730 3.647 8.939 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.772 5.078 9.388 1.00 13.90 H new ATOM 718 N PHE A 45 2.200 3.158 7.020 1.00 6.75 N ATOM 719 CA PHE A 45 3.461 2.504 7.491 1.00 4.70 C ATOM 720 C PHE A 45 4.229 3.557 8.270 1.00 6.34 C ATOM 721 O PHE A 45 4.349 4.699 7.867 1.00 5.45 O ATOM 722 CB PHE A 45 4.230 1.857 6.344 1.00 5.51 C ATOM 723 CG PHE A 45 5.697 1.563 6.647 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.134 0.294 7.204 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.648 2.445 6.352 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.445 0.016 7.614 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.990 2.200 6.635 1.00 6.64 C ATOM 728 CZ PHE A 45 8.365 1.046 7.296 1.00 6.84 C ATOM 0 H PHE A 45 2.293 4.141 6.763 1.00 6.75 H new ATOM 0 HA PHE A 45 3.261 1.661 8.152 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.735 0.925 6.073 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.177 2.511 5.474 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.398 -0.489 7.309 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.372 3.377 5.880 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.727 -0.894 8.123 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.741 2.916 6.336 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.399 0.924 7.581 1.00 6.84 H new ATOM 738 N ALA A 46 4.751 3.108 9.424 1.00 6.53 N ATOM 739 CA ALA A 46 5.642 3.774 10.308 1.00 7.15 C ATOM 740 C ALA A 46 5.065 5.020 10.864 1.00 9.00 C ATOM 741 O ALA A 46 5.684 6.123 10.858 1.00 11.15 O ATOM 742 CB ALA A 46 7.000 3.937 9.597 1.00 8.99 C ATOM 0 H ALA A 46 4.519 2.176 9.768 1.00 6.53 H new ATOM 0 HA ALA A 46 5.813 3.172 11.200 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.699 4.447 10.260 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.396 2.955 9.339 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.867 4.525 8.689 1.00 8.99 H new ATOM 748 N GLY A 47 3.769 4.922 11.248 1.00 9.35 N ATOM 749 CA GLY A 47 2.983 6.064 11.622 1.00 11.68 C ATOM 750 C GLY A 47 2.685 7.157 10.616 1.00 11.14 C ATOM 751 O GLY A 47 2.020 8.129 10.921 1.00 13.93 O ATOM 0 H GLY A 47 3.263 4.038 11.298 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.025 5.690 11.984 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.482 6.534 12.469 1.00 11.68 H new ATOM 755 N LYS A 48 3.104 6.897 9.397 1.00 10.47 N ATOM 756 CA LYS A 48 2.946 7.706 8.191 1.00 8.82 C ATOM 757 C LYS A 48 1.824 7.280 7.245 1.00 7.68 C ATOM 758 O LYS A 48 1.482 6.116 7.088 1.00 6.47 O ATOM 759 CB LYS A 48 4.215 7.853 7.254 1.00 9.74 C ATOM 760 CG LYS A 48 5.588 8.167 7.941 1.00 14.14 C ATOM 761 CD LYS A 48 6.657 8.287 6.958 1.00 16.32 C ATOM 762 CE LYS A 48 8.009 8.709 7.403 1.00 20.04 C ATOM 763 NZ LYS A 48 8.495 7.743 8.411 1.00 23.92 N ATOM 0 H LYS A 48 3.612 6.035 9.198 1.00 10.47 H new ATOM 0 HA LYS A 48 2.722 8.652 8.683 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.325 6.927 6.689 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.011 8.644 6.533 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.509 9.093 8.510 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.831 7.376 8.651 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.761 7.319 6.467 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.326 8.996 6.199 1.00 16.32 H new ATOM 0 HE2 LYS A 48 8.692 8.747 6.555 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.972 9.712 7.827 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.469 7.986 8.684 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.882 7.779 9.250 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.477 6.784 8.010 1.00 23.92 H new ATOM 777 N GLN A 49 1.065 8.266 6.758 1.00 8.89 N ATOM 778 CA GLN A 49 -0.072 8.093 5.857 1.00 7.18 C ATOM 779 C GLN A 49 0.456 8.223 4.453 1.00 8.23 C ATOM 780 O GLN A 49 0.939 9.310 4.065 1.00 9.70 O ATOM 781 CB GLN A 49 -1.274 8.932 6.199 1.00 11.67 C ATOM 782 CG GLN A 49 -1.803 8.631 7.594 1.00 15.82 C ATOM 783 CD GLN A 49 -3.026 9.514 7.888 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.714 10.075 7.057 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.379 9.622 9.177 1.00 20.67 N ATOM 0 H GLN A 49 1.235 9.244 6.992 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.503 7.099 5.973 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.010 9.987 6.132 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.061 8.753 5.467 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.076 7.578 7.670 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.025 8.813 8.335 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.823 9.163 9.898 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.204 10.163 9.436 1.00 20.67 H new ATOM 794 N LEU A 50 0.545 7.134 3.717 1.00 6.51 N ATOM 795 CA LEU A 50 1.366 7.064 2.516 1.00 7.41 C ATOM 796 C LEU A 50 0.800 7.756 1.325 1.00 8.27 C ATOM 797 O LEU A 50 -0.323 7.436 0.918 1.00 8.34 O ATOM 798 CB LEU A 50 1.784 5.661 2.175 1.00 7.13 C ATOM 799 CG LEU A 50 2.271 4.893 3.430 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.817 3.497 3.035 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.343 5.645 4.206 1.00 9.11 C ATOM 0 H LEU A 50 0.050 6.268 3.932 1.00 6.51 H new ATOM 0 HA LEU A 50 2.259 7.628 2.787 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.946 5.130 1.725 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.581 5.688 1.432 1.00 7.13 H new ATOM 0 HG LEU A 50 1.402 4.789 4.080 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.154 2.972 3.929 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.028 2.921 2.552 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.653 3.615 2.346 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.644 5.057 5.073 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.207 5.812 3.563 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.946 6.605 4.538 1.00 9.11 H new ATOM 813 N GLU A 51 1.430 8.753 0.688 1.00 9.43 N ATOM 814 CA GLU A 51 0.969 9.526 -0.449 1.00 11.90 C ATOM 815 C GLU A 51 1.369 8.905 -1.761 1.00 11.49 C ATOM 816 O GLU A 51 2.359 8.162 -1.853 1.00 9.88 O ATOM 817 CB GLU A 51 1.440 10.946 -0.410 1.00 16.56 C ATOM 818 CG GLU A 51 1.166 11.621 0.935 1.00 26.06 C ATOM 819 CD GLU A 51 1.246 13.164 1.039 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.198 13.820 -0.003 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.260 13.649 2.208 1.00 32.13 O ATOM 0 H GLU A 51 2.355 9.057 0.990 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.118 9.522 -0.375 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.510 10.976 -0.616 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.948 11.510 -1.202 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.167 11.323 1.254 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.869 11.207 1.658 1.00 26.06 H new ATOM 828 N ASP A 52 0.527 9.111 -2.837 1.00 12.71 N ATOM 829 CA ASP A 52 0.537 8.513 -4.120 1.00 16.56 C ATOM 830 C ASP A 52 1.897 8.501 -4.830 1.00 15.83 C ATOM 831 O ASP A 52 2.422 7.370 -5.076 1.00 17.21 O ATOM 832 CB ASP A 52 -0.548 9.146 -5.022 1.00 21.05 C ATOM 833 CG ASP A 52 -1.956 9.111 -4.416 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.266 9.934 -3.496 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.779 8.270 -4.830 1.00 28.37 O ATOM 0 H ASP A 52 -0.237 9.782 -2.761 1.00 12.71 H new ATOM 0 HA ASP A 52 0.310 7.462 -3.942 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.277 10.182 -5.228 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.562 8.624 -5.979 1.00 21.05 H new ATOM 840 N GLY A 53 2.577 9.684 -5.111 1.00 15.00 N ATOM 841 CA GLY A 53 3.724 9.726 -5.996 1.00 11.77 C ATOM 842 C GLY A 53 5.107 9.442 -5.354 1.00 11.10 C ATOM 843 O GLY A 53 6.163 9.736 -5.936 1.00 11.25 O ATOM 0 H GLY A 53 2.319 10.590 -4.720 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.564 9.002 -6.795 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.760 10.711 -6.461 1.00 11.77 H new ATOM 847 N ARG A 54 5.049 9.059 -4.091 1.00 8.53 N ATOM 848 CA ARG A 54 6.161 8.755 -3.267 1.00 9.05 C ATOM 849 C ARG A 54 6.592 7.351 -3.572 1.00 8.96 C ATOM 850 O ARG A 54 5.741 6.467 -3.639 1.00 11.60 O ATOM 851 CB ARG A 54 5.768 8.972 -1.833 1.00 7.97 C ATOM 852 CG ARG A 54 5.456 10.420 -1.546 1.00 9.62 C ATOM 853 CD ARG A 54 6.736 11.304 -1.714 1.00 12.20 C ATOM 854 NE ARG A 54 6.362 12.697 -1.309 1.00 18.23 N ATOM 855 CZ ARG A 54 6.066 13.103 -0.064 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.177 12.338 1.019 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.559 14.362 0.164 1.00 23.38 N ATOM 0 H ARG A 54 4.161 8.951 -3.602 1.00 8.53 H new ATOM 0 HA ARG A 54 7.015 9.405 -3.458 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.897 8.360 -1.599 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.576 8.639 -1.181 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.675 10.770 -2.221 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.069 10.520 -0.532 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.549 10.927 -1.094 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.086 11.283 -2.746 1.00 12.20 H new ATOM 0 HE ARG A 54 6.329 13.401 -2.046 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.505 11.376 0.933 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.934 12.713 1.936 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.404 14.999 -0.618 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.338 14.658 1.115 1.00 23.38 H new ATOM 871 N THR A 55 7.892 7.132 -3.688 1.00 9.05 N ATOM 872 CA THR A 55 8.330 5.753 -3.937 1.00 9.03 C ATOM 873 C THR A 55 8.404 4.930 -2.672 1.00 8.15 C ATOM 874 O THR A 55 8.312 5.408 -1.562 1.00 5.91 O ATOM 875 CB THR A 55 9.634 5.618 -4.768 1.00 11.15 C ATOM 876 OG1 THR A 55 10.843 5.938 -3.998 1.00 11.95 O ATOM 877 CG2 THR A 55 9.701 6.640 -5.992 1.00 11.71 C ATOM 0 H THR A 55 8.628 7.835 -3.621 1.00 9.05 H new ATOM 0 HA THR A 55 7.541 5.342 -4.567 1.00 9.03 H new ATOM 0 HB THR A 55 9.606 4.577 -5.090 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.018 6.901 -4.049 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.636 6.497 -6.535 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.861 6.460 -6.663 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.652 7.662 -5.616 1.00 11.71 H new ATOM 885 N LEU A 56 8.582 3.622 -2.781 1.00 6.91 N ATOM 886 CA LEU A 56 8.829 2.724 -1.624 1.00 8.29 C ATOM 887 C LEU A 56 10.179 3.134 -0.975 1.00 8.05 C ATOM 888 O LEU A 56 10.276 3.177 0.255 1.00 10.17 O ATOM 889 CB LEU A 56 9.014 1.203 -1.994 1.00 6.60 C ATOM 890 CG LEU A 56 7.718 0.411 -1.986 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.693 0.839 -3.002 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.985 -1.126 -2.265 1.00 8.64 C ATOM 0 H LEU A 56 8.562 3.133 -3.676 1.00 6.91 H new ATOM 0 HA LEU A 56 7.951 2.827 -0.986 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.467 1.131 -2.983 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.711 0.749 -1.290 1.00 6.60 H new ATOM 0 HG LEU A 56 7.321 0.602 -0.989 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.807 0.210 -2.912 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.419 1.879 -2.827 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.110 0.738 -4.004 1.00 9.85 H new ATOM 0 HD21 LEU A 56 7.039 -1.668 -2.253 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.457 -1.242 -3.240 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.642 -1.527 -1.494 1.00 8.64 H new ATOM 904 N SER A 57 11.189 3.506 -1.790 1.00 8.92 N ATOM 905 CA SER A 57 12.471 3.728 -1.226 1.00 9.00 C ATOM 906 C SER A 57 12.564 5.027 -0.483 1.00 9.44 C ATOM 907 O SER A 57 13.280 5.237 0.481 1.00 10.91 O ATOM 908 CB SER A 57 13.471 3.728 -2.380 1.00 10.32 C ATOM 909 OG SER A 57 14.822 3.425 -1.993 1.00 13.59 O ATOM 0 H SER A 57 11.116 3.646 -2.798 1.00 8.92 H new ATOM 0 HA SER A 57 12.678 2.943 -0.499 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.148 3.002 -3.125 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.454 4.706 -2.860 1.00 10.32 H new ATOM 0 HG SER A 57 15.401 3.442 -2.784 1.00 13.59 H new ATOM 915 N ASP A 58 11.732 5.987 -0.975 1.00 9.11 N ATOM 916 CA ASP A 58 11.474 7.222 -0.270 1.00 7.91 C ATOM 917 C ASP A 58 10.854 7.132 1.113 1.00 9.12 C ATOM 918 O ASP A 58 11.124 7.942 2.020 1.00 8.61 O ATOM 919 CB ASP A 58 10.532 8.069 -1.128 1.00 8.41 C ATOM 920 CG ASP A 58 11.338 8.676 -2.199 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.304 9.411 -1.903 1.00 10.05 O ATOM 922 OD2 ASP A 58 11.012 8.448 -3.423 1.00 11.70 O ATOM 0 H ASP A 58 11.238 5.904 -1.864 1.00 9.11 H new ATOM 0 HA ASP A 58 12.466 7.644 -0.109 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.737 7.453 -1.548 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.052 8.840 -0.525 1.00 8.41 H new ATOM 927 N TYR A 59 9.935 6.134 1.391 1.00 7.97 N ATOM 928 CA TYR A 59 9.231 5.914 2.639 1.00 8.45 C ATOM 929 C TYR A 59 9.915 4.826 3.429 1.00 10.98 C ATOM 930 O TYR A 59 9.433 4.394 4.473 1.00 12.95 O ATOM 931 CB TYR A 59 7.752 5.445 2.528 1.00 7.94 C ATOM 932 CG TYR A 59 6.826 6.593 2.332 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.792 7.666 3.321 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.964 6.621 1.240 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.751 8.636 3.262 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.038 7.691 1.206 1.00 6.52 C ATOM 937 CZ TYR A 59 4.926 8.642 2.138 1.00 6.76 C ATOM 938 OH TYR A 59 3.942 9.607 1.942 1.00 7.63 O ATOM 0 H TYR A 59 9.678 5.443 0.686 1.00 7.97 H new ATOM 0 HA TYR A 59 9.244 6.901 3.102 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.652 4.750 1.694 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.473 4.902 3.431 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.549 7.724 4.090 1.00 4.59 H new ATOM 0 HD2 TYR A 59 5.999 5.871 0.464 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.605 9.345 4.063 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.369 7.743 0.360 1.00 6.52 H new ATOM 0 HH TYR A 59 4.352 10.427 1.597 1.00 7.63 H new ATOM 948 N ASN A 60 11.104 4.350 2.936 1.00 12.38 N ATOM 949 CA ASN A 60 12.030 3.386 3.508 1.00 13.94 C ATOM 950 C ASN A 60 11.402 1.984 3.699 1.00 14.16 C ATOM 951 O ASN A 60 11.732 1.292 4.658 1.00 14.26 O ATOM 952 CB ASN A 60 12.694 3.857 4.845 1.00 19.23 C ATOM 953 CG ASN A 60 13.371 5.222 4.640 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.744 6.249 4.937 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.554 5.148 4.086 1.00 24.09 N ATOM 0 H ASN A 60 11.447 4.683 2.035 1.00 12.38 H new ATOM 0 HA ASN A 60 12.821 3.312 2.761 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.941 3.929 5.630 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.429 3.123 5.175 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.062 6.001 3.851 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.969 4.237 3.889 1.00 24.09 H new ATOM 962 N ILE A 61 10.508 1.587 2.738 1.00 11.08 N ATOM 963 CA ILE A 61 9.886 0.276 2.609 1.00 11.78 C ATOM 964 C ILE A 61 10.832 -0.700 1.969 1.00 13.74 C ATOM 965 O ILE A 61 11.190 -0.568 0.782 1.00 14.60 O ATOM 966 CB ILE A 61 8.527 0.381 2.015 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.703 1.450 2.746 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.892 -1.054 1.956 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.344 1.796 2.082 1.00 11.42 C ATOM 0 H ILE A 61 10.202 2.227 2.005 1.00 11.08 H new ATOM 0 HA ILE A 61 9.696 -0.152 3.593 1.00 11.78 H new ATOM 0 HB ILE A 61 8.560 0.735 0.985 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.517 1.110 3.765 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.298 2.360 2.817 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.894 -0.993 1.522 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.516 -1.703 1.341 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.825 -1.464 2.964 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.836 2.560 2.670 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.517 2.171 1.073 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.724 0.901 2.035 1.00 11.42 H new ATOM 981 N GLN A 62 11.331 -1.674 2.752 1.00 13.97 N ATOM 982 CA GLN A 62 12.297 -2.639 2.261 1.00 15.52 C ATOM 983 C GLN A 62 11.630 -3.974 2.085 1.00 13.94 C ATOM 984 O GLN A 62 10.432 -4.173 2.260 1.00 12.15 O ATOM 985 CB GLN A 62 13.545 -2.679 3.174 1.00 19.53 C ATOM 986 CG GLN A 62 14.202 -1.327 3.415 1.00 26.38 C ATOM 987 CD GLN A 62 15.266 -1.461 4.537 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.885 -1.590 5.682 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.584 -1.404 4.143 1.00 32.71 N ATOM 0 H GLN A 62 11.071 -1.803 3.730 1.00 13.97 H new ATOM 0 HA GLN A 62 12.663 -2.338 1.280 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.261 -3.106 4.136 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.280 -3.351 2.732 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.669 -0.969 2.497 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.450 -0.591 3.698 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.817 -1.294 3.156 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.327 -1.472 4.838 1.00 32.71 H new ATOM 998 N LYS A 63 12.405 -4.963 1.682 1.00 11.73 N ATOM 999 CA LYS A 63 11.979 -6.341 1.552 1.00 11.97 C ATOM 1000 C LYS A 63 11.484 -7.031 2.798 1.00 10.41 C ATOM 1001 O LYS A 63 12.074 -6.981 3.880 1.00 9.59 O ATOM 1002 CB LYS A 63 13.088 -7.160 0.839 1.00 13.73 C ATOM 1003 CG LYS A 63 14.405 -7.361 1.607 1.00 16.98 C ATOM 1004 CD LYS A 63 15.430 -8.288 0.915 1.00 20.19 C ATOM 1005 CE LYS A 63 16.762 -8.331 1.644 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.791 -9.043 0.869 1.00 25.97 N ATOM 0 H LYS A 63 13.383 -4.823 1.428 1.00 11.73 H new ATOM 0 HA LYS A 63 11.075 -6.296 0.945 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.682 -8.143 0.598 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.318 -6.669 -0.107 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.868 -6.387 1.766 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.175 -7.769 2.591 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.020 -9.296 0.855 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.590 -7.947 -0.108 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.098 -7.314 1.845 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.632 -8.820 2.609 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.684 -9.050 1.402 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.482 -10.021 0.699 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.935 -8.562 -0.042 1.00 25.97 H new ATOM 1020 N GLU A 64 10.336 -7.726 2.704 1.00 10.04 N ATOM 1021 CA GLU A 64 9.621 -8.344 3.750 1.00 10.94 C ATOM 1022 C GLU A 64 9.086 -7.406 4.787 1.00 9.74 C ATOM 1023 O GLU A 64 8.648 -7.852 5.812 1.00 9.42 O ATOM 1024 CB GLU A 64 10.337 -9.600 4.231 1.00 18.31 C ATOM 1025 CG GLU A 64 10.853 -10.491 3.025 1.00 24.16 C ATOM 1026 CD GLU A 64 11.453 -11.758 3.546 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.677 -11.788 4.792 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.858 -12.653 2.745 1.00 32.61 O ATOM 0 H GLU A 64 9.876 -7.860 1.803 1.00 10.04 H new ATOM 0 HA GLU A 64 8.678 -8.710 3.345 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.181 -9.317 4.860 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.660 -10.187 4.852 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.027 -10.720 2.352 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.593 -9.940 2.445 1.00 24.16 H new ATOM 1035 N SER A 65 9.062 -6.046 4.513 1.00 6.85 N ATOM 1036 CA SER A 65 8.527 -5.024 5.408 1.00 6.90 C ATOM 1037 C SER A 65 6.935 -4.976 5.386 1.00 4.72 C ATOM 1038 O SER A 65 6.348 -5.415 4.394 1.00 3.91 O ATOM 1039 CB SER A 65 9.104 -3.649 4.999 1.00 7.28 C ATOM 1040 OG SER A 65 9.212 -2.821 6.156 1.00 10.56 O ATOM 0 H SER A 65 9.427 -5.659 3.643 1.00 6.85 H new ATOM 0 HA SER A 65 8.824 -5.275 6.426 1.00 6.90 H new ATOM 0 HB2 SER A 65 10.082 -3.775 4.535 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.459 -3.177 4.258 1.00 7.28 H new ATOM 0 HG SER A 65 9.579 -1.949 5.901 1.00 10.56 H new ATOM 1046 N THR A 66 6.317 -4.510 6.507 1.00 4.48 N ATOM 1047 CA THR A 66 4.898 -4.802 6.725 1.00 3.80 C ATOM 1048 C THR A 66 4.150 -3.499 6.769 1.00 4.60 C ATOM 1049 O THR A 66 4.504 -2.552 7.393 1.00 5.33 O ATOM 1050 CB THR A 66 4.613 -5.557 8.005 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.266 -6.842 7.892 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.130 -5.837 8.199 1.00 3.40 C ATOM 0 H THR A 66 6.767 -3.956 7.236 1.00 4.48 H new ATOM 0 HA THR A 66 4.578 -5.443 5.904 1.00 3.80 H new ATOM 0 HB THR A 66 4.965 -4.954 8.842 1.00 2.85 H new ATOM 0 HG1 THR A 66 5.106 -7.363 8.706 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.981 -6.381 9.132 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.584 -4.895 8.237 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.761 -6.437 7.367 1.00 3.40 H new ATOM 1060 N LEU A 67 3.004 -3.462 5.997 1.00 4.17 N ATOM 1061 CA LEU A 67 2.109 -2.353 5.831 1.00 3.85 C ATOM 1062 C LEU A 67 0.700 -2.627 6.303 1.00 3.80 C ATOM 1063 O LEU A 67 0.289 -3.741 6.606 1.00 5.54 O ATOM 1064 CB LEU A 67 2.063 -1.888 4.289 1.00 7.18 C ATOM 1065 CG LEU A 67 3.416 -1.961 3.488 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.200 -1.644 2.004 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.427 -0.871 4.111 1.00 11.66 C ATOM 0 H LEU A 67 2.703 -4.276 5.461 1.00 4.17 H new ATOM 0 HA LEU A 67 2.511 -1.560 6.461 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.327 -2.502 3.770 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.702 -0.860 4.254 1.00 7.18 H new ATOM 0 HG LEU A 67 3.821 -2.970 3.567 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.152 -1.702 1.477 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.504 -2.365 1.576 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.790 -0.639 1.903 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.374 -0.903 3.571 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.991 0.124 4.020 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.601 -1.096 5.163 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.122 -1.594 6.406 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.522 -1.662 6.773 1.00 4.17 C ATOM 1081 C HIS A 68 -2.288 -1.269 5.558 1.00 5.32 C ATOM 1082 O HIS A 68 -2.058 -0.169 5.061 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.876 -0.664 7.856 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.057 -0.805 9.119 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.304 -0.385 9.269 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.336 -1.550 10.215 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.723 -0.867 10.442 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.219 -1.585 11.060 1.00 16.30 N ATOM 0 H HIS A 68 0.188 -0.639 6.226 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.747 -2.664 7.139 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.746 0.344 7.462 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.931 -0.775 8.106 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.847 0.173 8.610 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -2.277 -2.043 10.408 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.710 -0.696 10.845 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.270 -2.076 5.102 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.241 -1.559 4.152 1.00 3.97 C ATOM 1098 C LEU A 69 -5.379 -1.134 5.024 1.00 5.07 C ATOM 1099 O LEU A 69 -5.882 -1.874 5.872 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.710 -2.606 3.151 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.719 -2.138 2.113 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.193 -0.982 1.317 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.088 -3.341 1.188 1.00 9.96 C ATOM 0 H LEU A 69 -3.399 -3.051 5.372 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.819 -0.760 3.542 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.837 -2.996 2.628 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.148 -3.437 3.704 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.616 -1.784 2.622 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.940 -0.674 0.585 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.975 -0.149 1.985 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.281 -1.281 0.800 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.811 -3.016 0.440 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.190 -3.706 0.690 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.521 -4.142 1.788 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.810 0.051 4.889 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.895 0.675 5.539 1.00 6.26 C ATOM 1117 C VAL A 70 -7.909 1.086 4.425 1.00 9.22 C ATOM 1118 O VAL A 70 -7.595 1.981 3.644 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.460 1.917 6.281 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.718 2.619 6.849 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.500 1.456 7.396 1.00 8.54 C ATOM 0 H VAL A 70 -5.356 0.692 4.238 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.330 -0.010 6.267 1.00 6.26 H new ATOM 0 HB VAL A 70 -5.948 2.633 5.639 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.421 3.518 7.388 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.384 2.890 6.030 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.236 1.943 7.529 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.157 2.322 7.962 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.021 0.769 8.063 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.643 0.950 6.952 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.087 0.398 4.349 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.031 0.696 3.335 1.00 16.06 C ATOM 1133 C LEU A 71 -10.865 2.019 3.559 1.00 18.09 C ATOM 1134 O LEU A 71 -11.312 2.223 4.685 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.917 -0.535 3.093 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.197 -1.752 2.392 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.226 -2.722 1.968 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.377 -1.286 1.208 1.00 19.57 C ATOM 0 H LEU A 71 -9.363 -0.348 4.988 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.465 0.921 2.431 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.314 -0.871 4.051 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.768 -0.236 2.482 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.511 -2.226 3.094 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.747 -3.571 1.481 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.780 -3.069 2.840 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.912 -2.243 1.270 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.891 -2.143 0.742 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.029 -0.800 0.482 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.620 -0.579 1.546 1.00 19.57 H new