USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 654 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 5 SER OG : rot -146:sc= 0.0142 USER MOD Set 1.2: A 31 GLN : amide:sc= -0.0602 K(o=-0.046,f=-1.3!) USER MOD Set 2.1: A 23 SER OG : rot 18:sc= 0.407 USER MOD Set 2.2: A 50 ASN : amide:sc= 1.22 K(o=1.6,f=-1.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.176 K(o=-0.18,f=-1.1!) USER MOD Single : A 19 HIS : no HD1:sc= -0.274 X(o=-0.27,f=-0.15) USER MOD Single : A 22 MET CE :methyl -170:sc= -2.55! (180deg=-2.85!) USER MOD Single : A 25 ASN : amide:sc= -0.319 K(o=-0.32,f=-4.8!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 35:sc= 0.265 USER MOD Single : A 48 GLN : amide:sc=-0.00351 X(o=-0.0035,f=0) USER MOD Single : A 56 CYS SG : rot 48:sc= 0.0507 USER MOD Single : A 57 ASN : amide:sc= 0.157 K(o=0.16,f=-0.42) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl -121:sc= -0.321 (180deg=-3.21!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -6.36! C(o=-6.4!,f=-9.1!) USER MOD Single : A 69 LYS NZ :NH3+ -154:sc= -0.0638 (180deg=-0.377) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0108 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.888 14.885 15.776 1.00 0.00 N ATOM 2 CA GLY A 1 0.411 15.537 15.796 1.00 0.00 C ATOM 3 C GLY A 1 1.540 14.509 15.884 1.00 0.00 C ATOM 4 O GLY A 1 2.329 14.527 16.828 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.637 15.604 15.716 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.947 14.254 14.951 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.011 14.329 16.646 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.533 16.140 14.896 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.467 16.217 16.646 1.00 0.00 H new ATOM 8 N SER A 2 1.581 13.636 14.888 1.00 0.00 N ATOM 9 CA SER A 2 2.600 12.602 14.841 1.00 0.00 C ATOM 10 C SER A 2 3.850 13.130 14.134 1.00 0.00 C ATOM 11 O SER A 2 4.939 13.126 14.706 1.00 0.00 O ATOM 12 CB SER A 2 2.081 11.348 14.134 1.00 0.00 C ATOM 13 OG SER A 2 1.572 10.388 15.056 1.00 0.00 O ATOM 0 H SER A 2 0.925 13.624 14.107 1.00 0.00 H new ATOM 0 HA SER A 2 2.857 12.329 15.865 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.296 11.627 13.431 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.886 10.900 13.552 1.00 0.00 H new ATOM 0 HG SER A 2 1.249 9.603 14.566 1.00 0.00 H new ATOM 19 N SER A 3 3.651 13.573 12.901 1.00 0.00 N ATOM 20 CA SER A 3 4.748 14.103 12.110 1.00 0.00 C ATOM 21 C SER A 3 5.960 13.174 12.206 1.00 0.00 C ATOM 22 O SER A 3 6.888 13.435 12.970 1.00 0.00 O ATOM 23 CB SER A 3 5.125 15.514 12.567 1.00 0.00 C ATOM 24 OG SER A 3 5.100 16.448 11.491 1.00 0.00 O ATOM 0 H SER A 3 2.746 13.576 12.431 1.00 0.00 H new ATOM 0 HA SER A 3 4.423 14.160 11.071 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.435 15.839 13.346 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.121 15.498 13.010 1.00 0.00 H new ATOM 0 HG SER A 3 5.345 17.337 11.824 1.00 0.00 H new ATOM 30 N GLY A 4 5.912 12.109 11.420 1.00 0.00 N ATOM 31 CA GLY A 4 6.994 11.139 11.406 1.00 0.00 C ATOM 32 C GLY A 4 6.769 10.081 10.324 1.00 0.00 C ATOM 33 O GLY A 4 7.463 10.069 9.309 1.00 0.00 O ATOM 0 H GLY A 4 5.140 11.896 10.788 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.941 11.648 11.230 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.068 10.657 12.381 1.00 0.00 H new ATOM 37 N SER A 5 5.795 9.219 10.577 1.00 0.00 N ATOM 38 CA SER A 5 5.470 8.160 9.637 1.00 0.00 C ATOM 39 C SER A 5 5.172 8.756 8.260 1.00 0.00 C ATOM 40 O SER A 5 4.930 9.956 8.138 1.00 0.00 O ATOM 41 CB SER A 5 4.279 7.335 10.127 1.00 0.00 C ATOM 42 OG SER A 5 4.597 5.950 10.235 1.00 0.00 O ATOM 0 H SER A 5 5.220 9.233 11.420 1.00 0.00 H new ATOM 0 HA SER A 5 6.330 7.495 9.560 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.954 7.709 11.098 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.443 7.462 9.440 1.00 0.00 H new ATOM 0 HG SER A 5 3.806 5.415 10.014 1.00 0.00 H new ATOM 48 N SER A 6 5.199 7.891 7.257 1.00 0.00 N ATOM 49 CA SER A 6 4.934 8.317 5.893 1.00 0.00 C ATOM 50 C SER A 6 3.660 7.648 5.374 1.00 0.00 C ATOM 51 O SER A 6 2.678 8.325 5.072 1.00 0.00 O ATOM 52 CB SER A 6 6.115 7.993 4.976 1.00 0.00 C ATOM 53 OG SER A 6 6.922 9.139 4.721 1.00 0.00 O ATOM 0 H SER A 6 5.400 6.897 7.362 1.00 0.00 H new ATOM 0 HA SER A 6 4.795 9.398 5.893 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.725 7.214 5.432 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.743 7.594 4.032 1.00 0.00 H new ATOM 0 HG SER A 6 7.666 8.891 4.133 1.00 0.00 H new ATOM 59 N GLY A 7 3.717 6.327 5.285 1.00 0.00 N ATOM 60 CA GLY A 7 2.580 5.559 4.807 1.00 0.00 C ATOM 61 C GLY A 7 2.523 5.558 3.278 1.00 0.00 C ATOM 62 O GLY A 7 2.745 6.588 2.644 1.00 0.00 O ATOM 0 H GLY A 7 4.533 5.769 5.536 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.649 4.534 5.173 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.658 5.979 5.209 1.00 0.00 H new ATOM 66 N TYR A 8 2.224 4.389 2.730 1.00 0.00 N ATOM 67 CA TYR A 8 2.136 4.239 1.288 1.00 0.00 C ATOM 68 C TYR A 8 0.967 3.330 0.902 1.00 0.00 C ATOM 69 O TYR A 8 0.646 2.386 1.623 1.00 0.00 O ATOM 70 CB TYR A 8 3.445 3.580 0.851 1.00 0.00 C ATOM 71 CG TYR A 8 4.640 4.535 0.812 1.00 0.00 C ATOM 72 CD1 TYR A 8 5.177 5.016 1.989 1.00 0.00 C ATOM 73 CD2 TYR A 8 5.181 4.915 -0.399 1.00 0.00 C ATOM 74 CE1 TYR A 8 6.301 5.915 1.953 1.00 0.00 C ATOM 75 CE2 TYR A 8 6.306 5.813 -0.435 1.00 0.00 C ATOM 76 CZ TYR A 8 6.810 6.269 0.743 1.00 0.00 C ATOM 77 OH TYR A 8 7.872 7.118 0.709 1.00 0.00 O ATOM 0 H TYR A 8 2.040 3.537 3.259 1.00 0.00 H new ATOM 0 HA TYR A 8 1.976 5.206 0.811 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.671 2.759 1.531 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.308 3.145 -0.139 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.754 4.718 2.937 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.761 4.539 -1.320 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.730 6.299 2.866 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.740 6.118 -1.376 1.00 0.00 H new ATOM 0 HH TYR A 8 8.130 7.282 -0.222 1.00 0.00 H new ATOM 87 N ARG A 9 0.364 3.646 -0.235 1.00 0.00 N ATOM 88 CA ARG A 9 -0.762 2.869 -0.725 1.00 0.00 C ATOM 89 C ARG A 9 -0.311 1.928 -1.844 1.00 0.00 C ATOM 90 O ARG A 9 0.529 2.292 -2.665 1.00 0.00 O ATOM 91 CB ARG A 9 -1.872 3.780 -1.252 1.00 0.00 C ATOM 92 CG ARG A 9 -3.148 2.984 -1.535 1.00 0.00 C ATOM 93 CD ARG A 9 -4.393 3.846 -1.316 1.00 0.00 C ATOM 94 NE ARG A 9 -4.624 4.709 -2.496 1.00 0.00 N ATOM 95 CZ ARG A 9 -5.260 4.309 -3.606 1.00 0.00 C ATOM 96 NH1 ARG A 9 -5.731 3.058 -3.694 1.00 0.00 N ATOM 97 NH2 ARG A 9 -5.425 5.160 -4.627 1.00 0.00 N ATOM 0 H ARG A 9 0.634 4.429 -0.831 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.151 2.286 0.110 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.082 4.563 -0.523 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.538 4.275 -2.164 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.132 2.617 -2.561 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.187 2.110 -0.885 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.261 3.209 -1.145 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.268 4.460 -0.424 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.278 5.668 -2.462 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.606 2.410 -2.916 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.215 2.754 -4.539 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.067 6.113 -4.560 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.909 4.855 -5.472 1.00 0.00 H new ATOM 111 N ALA A 10 -0.888 0.735 -1.839 1.00 0.00 N ATOM 112 CA ALA A 10 -0.555 -0.261 -2.843 1.00 0.00 C ATOM 113 C ALA A 10 -1.247 0.097 -4.160 1.00 0.00 C ATOM 114 O ALA A 10 -2.467 -0.017 -4.275 1.00 0.00 O ATOM 115 CB ALA A 10 -0.950 -1.649 -2.336 1.00 0.00 C ATOM 0 H ALA A 10 -1.584 0.436 -1.156 1.00 0.00 H new ATOM 0 HA ALA A 10 0.519 -0.275 -3.028 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.700 -2.396 -3.089 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.409 -1.867 -1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.022 -1.674 -2.142 1.00 0.00 H new ATOM 121 N LEU A 11 -0.439 0.523 -5.119 1.00 0.00 N ATOM 122 CA LEU A 11 -0.959 0.899 -6.423 1.00 0.00 C ATOM 123 C LEU A 11 -1.624 -0.317 -7.072 1.00 0.00 C ATOM 124 O LEU A 11 -2.809 -0.279 -7.400 1.00 0.00 O ATOM 125 CB LEU A 11 0.144 1.526 -7.279 1.00 0.00 C ATOM 126 CG LEU A 11 0.531 2.964 -6.925 1.00 0.00 C ATOM 127 CD1 LEU A 11 1.851 3.356 -7.591 1.00 0.00 C ATOM 128 CD2 LEU A 11 -0.597 3.937 -7.273 1.00 0.00 C ATOM 0 H LEU A 11 0.572 0.616 -5.020 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.727 1.666 -6.320 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.034 0.902 -7.203 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.174 1.502 -8.321 1.00 0.00 H new ATOM 0 HG LEU A 11 0.684 3.021 -5.847 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.103 4.382 -7.323 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.642 2.688 -7.252 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.750 3.278 -8.673 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.296 4.951 -7.011 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.806 3.885 -8.341 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.494 3.669 -6.714 1.00 0.00 H new ATOM 140 N TYR A 12 -0.832 -1.366 -7.238 1.00 0.00 N ATOM 141 CA TYR A 12 -1.329 -2.591 -7.841 1.00 0.00 C ATOM 142 C TYR A 12 -1.100 -3.789 -6.919 1.00 0.00 C ATOM 143 O TYR A 12 -0.267 -3.732 -6.015 1.00 0.00 O ATOM 144 CB TYR A 12 -0.519 -2.788 -9.124 1.00 0.00 C ATOM 145 CG TYR A 12 -0.735 -1.693 -10.171 1.00 0.00 C ATOM 146 CD1 TYR A 12 -1.910 -1.652 -10.894 1.00 0.00 C ATOM 147 CD2 TYR A 12 0.245 -0.746 -10.392 1.00 0.00 C ATOM 148 CE1 TYR A 12 -2.113 -0.621 -11.879 1.00 0.00 C ATOM 149 CE2 TYR A 12 0.041 0.284 -11.377 1.00 0.00 C ATOM 150 CZ TYR A 12 -1.128 0.296 -12.072 1.00 0.00 C ATOM 151 OH TYR A 12 -1.320 1.269 -13.003 1.00 0.00 O ATOM 0 H TYR A 12 0.151 -1.393 -6.965 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.400 -2.518 -8.029 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.540 -2.830 -8.870 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.780 -3.752 -9.562 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.677 -2.393 -10.721 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.164 -0.778 -9.826 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.028 -0.577 -12.452 1.00 0.00 H new ATOM 0 HE2 TYR A 12 0.800 1.031 -11.560 1.00 0.00 H new ATOM 0 HH TYR A 12 -0.534 1.854 -13.032 1.00 0.00 H new ATOM 161 N PRO A 13 -1.874 -4.876 -7.184 1.00 0.00 N ATOM 162 CA PRO A 13 -1.764 -6.086 -6.388 1.00 0.00 C ATOM 163 C PRO A 13 -0.493 -6.861 -6.743 1.00 0.00 C ATOM 164 O PRO A 13 -0.242 -7.147 -7.912 1.00 0.00 O ATOM 165 CB PRO A 13 -3.036 -6.865 -6.679 1.00 0.00 C ATOM 166 CG PRO A 13 -3.591 -6.290 -7.972 1.00 0.00 C ATOM 167 CD PRO A 13 -2.871 -4.980 -8.246 1.00 0.00 C ATOM 0 HA PRO A 13 -1.674 -5.882 -5.321 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -2.827 -7.930 -6.783 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -3.753 -6.759 -5.865 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.441 -6.988 -8.796 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -4.665 -6.125 -7.886 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.402 -4.984 -9.230 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.561 -4.137 -8.225 1.00 0.00 H new ATOM 175 N PHE A 14 0.275 -7.180 -5.711 1.00 0.00 N ATOM 176 CA PHE A 14 1.513 -7.916 -5.899 1.00 0.00 C ATOM 177 C PHE A 14 1.665 -9.012 -4.841 1.00 0.00 C ATOM 178 O PHE A 14 1.319 -8.809 -3.678 1.00 0.00 O ATOM 179 CB PHE A 14 2.658 -6.913 -5.745 1.00 0.00 C ATOM 180 CG PHE A 14 3.995 -7.550 -5.362 1.00 0.00 C ATOM 181 CD1 PHE A 14 4.175 -8.056 -4.113 1.00 0.00 C ATOM 182 CD2 PHE A 14 5.005 -7.609 -6.271 1.00 0.00 C ATOM 183 CE1 PHE A 14 5.416 -8.647 -3.757 1.00 0.00 C ATOM 184 CE2 PHE A 14 6.247 -8.200 -5.915 1.00 0.00 C ATOM 185 CZ PHE A 14 6.426 -8.706 -4.666 1.00 0.00 C ATOM 0 H PHE A 14 0.063 -6.942 -4.742 1.00 0.00 H new ATOM 0 HA PHE A 14 1.518 -8.391 -6.880 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.781 -6.371 -6.682 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.386 -6.180 -4.986 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.373 -8.008 -3.391 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.863 -7.207 -7.263 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.558 -9.049 -2.765 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.049 -8.247 -6.637 1.00 0.00 H new ATOM 0 HZ PHE A 14 7.370 -9.155 -4.396 1.00 0.00 H new ATOM 195 N GLU A 15 2.182 -10.149 -5.283 1.00 0.00 N ATOM 196 CA GLU A 15 2.384 -11.277 -4.390 1.00 0.00 C ATOM 197 C GLU A 15 3.856 -11.374 -3.983 1.00 0.00 C ATOM 198 O GLU A 15 4.745 -11.074 -4.778 1.00 0.00 O ATOM 199 CB GLU A 15 1.906 -12.579 -5.034 1.00 0.00 C ATOM 200 CG GLU A 15 0.534 -12.986 -4.493 1.00 0.00 C ATOM 201 CD GLU A 15 0.320 -14.496 -4.620 1.00 0.00 C ATOM 202 OE1 GLU A 15 1.198 -15.237 -4.127 1.00 0.00 O ATOM 203 OE2 GLU A 15 -0.716 -14.876 -5.208 1.00 0.00 O ATOM 0 H GLU A 15 2.467 -10.313 -6.248 1.00 0.00 H new ATOM 0 HA GLU A 15 1.788 -11.115 -3.491 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.853 -12.456 -6.116 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.628 -13.372 -4.839 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.449 -12.690 -3.447 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.247 -12.457 -5.039 1.00 0.00 H new ATOM 210 N ALA A 16 4.068 -11.795 -2.744 1.00 0.00 N ATOM 211 CA ALA A 16 5.416 -11.936 -2.222 1.00 0.00 C ATOM 212 C ALA A 16 6.248 -12.779 -3.191 1.00 0.00 C ATOM 213 O ALA A 16 5.900 -13.922 -3.482 1.00 0.00 O ATOM 214 CB ALA A 16 5.360 -12.546 -0.820 1.00 0.00 C ATOM 0 H ALA A 16 3.328 -12.043 -2.087 1.00 0.00 H new ATOM 0 HA ALA A 16 5.897 -10.962 -2.135 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.372 -12.652 -0.429 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.783 -11.895 -0.163 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.885 -13.526 -0.868 1.00 0.00 H new ATOM 220 N ARG A 17 7.332 -12.181 -3.665 1.00 0.00 N ATOM 221 CA ARG A 17 8.216 -12.863 -4.595 1.00 0.00 C ATOM 222 C ARG A 17 9.337 -13.575 -3.837 1.00 0.00 C ATOM 223 O ARG A 17 9.742 -14.675 -4.209 1.00 0.00 O ATOM 224 CB ARG A 17 8.829 -11.878 -5.593 1.00 0.00 C ATOM 225 CG ARG A 17 8.545 -12.309 -7.034 1.00 0.00 C ATOM 226 CD ARG A 17 7.519 -11.384 -7.691 1.00 0.00 C ATOM 227 NE ARG A 17 6.488 -12.185 -8.387 1.00 0.00 N ATOM 228 CZ ARG A 17 5.590 -11.674 -9.241 1.00 0.00 C ATOM 229 NH1 ARG A 17 5.592 -10.362 -9.510 1.00 0.00 N ATOM 230 NH2 ARG A 17 4.691 -12.477 -9.827 1.00 0.00 N ATOM 0 H ARG A 17 7.618 -11.232 -3.422 1.00 0.00 H new ATOM 0 HA ARG A 17 7.622 -13.595 -5.142 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.423 -10.881 -5.421 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.906 -11.816 -5.434 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.471 -12.298 -7.610 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.175 -13.334 -7.044 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.052 -10.751 -6.936 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.016 -10.721 -8.399 1.00 0.00 H new ATOM 0 HE ARG A 17 6.459 -13.188 -8.206 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.277 -9.751 -9.065 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.909 -9.974 -10.160 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.690 -13.476 -9.623 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.007 -12.089 -10.477 1.00 0.00 H new ATOM 244 N ASN A 18 9.809 -12.918 -2.787 1.00 0.00 N ATOM 245 CA ASN A 18 10.876 -13.474 -1.973 1.00 0.00 C ATOM 246 C ASN A 18 10.267 -14.307 -0.842 1.00 0.00 C ATOM 247 O ASN A 18 9.072 -14.596 -0.853 1.00 0.00 O ATOM 248 CB ASN A 18 11.722 -12.367 -1.342 1.00 0.00 C ATOM 249 CG ASN A 18 13.165 -12.425 -1.846 1.00 0.00 C ATOM 250 OD1 ASN A 18 13.449 -12.879 -2.942 1.00 0.00 O ATOM 251 ND2 ASN A 18 14.058 -11.941 -0.987 1.00 0.00 N ATOM 0 H ASN A 18 9.471 -12.005 -2.482 1.00 0.00 H new ATOM 0 HA ASN A 18 11.507 -14.087 -2.617 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.289 -11.395 -1.578 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.708 -12.467 -0.257 1.00 0.00 H new ATOM 0 HD21 ASN A 18 15.049 -11.935 -1.230 1.00 0.00 H new ATOM 0 HD22 ASN A 18 13.752 -11.576 -0.085 1.00 0.00 H new ATOM 258 N HIS A 19 11.118 -14.668 0.107 1.00 0.00 N ATOM 259 CA HIS A 19 10.680 -15.461 1.243 1.00 0.00 C ATOM 260 C HIS A 19 10.245 -14.534 2.379 1.00 0.00 C ATOM 261 O HIS A 19 9.359 -14.877 3.161 1.00 0.00 O ATOM 262 CB HIS A 19 11.767 -16.450 1.667 1.00 0.00 C ATOM 263 CG HIS A 19 11.234 -17.743 2.235 1.00 0.00 C ATOM 264 ND1 HIS A 19 11.993 -18.581 3.033 1.00 0.00 N ATOM 265 CD2 HIS A 19 10.009 -18.332 2.114 1.00 0.00 C ATOM 266 CE1 HIS A 19 11.249 -19.625 3.370 1.00 0.00 C ATOM 267 NE2 HIS A 19 10.021 -19.469 2.799 1.00 0.00 N ATOM 0 H HIS A 19 12.109 -14.426 0.113 1.00 0.00 H new ATOM 0 HA HIS A 19 9.815 -16.061 0.960 1.00 0.00 H new ATOM 0 HB2 HIS A 19 12.395 -16.675 0.805 1.00 0.00 H new ATOM 0 HB3 HIS A 19 12.406 -15.975 2.411 1.00 0.00 H new ATOM 0 HD2 HIS A 19 9.172 -17.940 1.556 1.00 0.00 H new ATOM 0 HE1 HIS A 19 11.561 -20.454 3.988 1.00 0.00 H new ATOM 0 HE2 HIS A 19 9.240 -20.119 2.884 1.00 0.00 H new ATOM 275 N ASP A 20 10.889 -13.377 2.435 1.00 0.00 N ATOM 276 CA ASP A 20 10.580 -12.398 3.463 1.00 0.00 C ATOM 277 C ASP A 20 9.948 -11.165 2.813 1.00 0.00 C ATOM 278 O ASP A 20 10.264 -10.035 3.180 1.00 0.00 O ATOM 279 CB ASP A 20 11.846 -11.950 4.195 1.00 0.00 C ATOM 280 CG ASP A 20 12.287 -12.861 5.342 1.00 0.00 C ATOM 281 OD1 ASP A 20 12.688 -14.005 5.036 1.00 0.00 O ATOM 282 OD2 ASP A 20 12.213 -12.393 6.499 1.00 0.00 O ATOM 0 H ASP A 20 11.623 -13.096 1.785 1.00 0.00 H new ATOM 0 HA ASP A 20 9.897 -12.861 4.175 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.660 -11.881 3.473 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.684 -10.947 4.590 1.00 0.00 H new ATOM 287 N GLU A 21 9.065 -11.425 1.860 1.00 0.00 N ATOM 288 CA GLU A 21 8.386 -10.351 1.156 1.00 0.00 C ATOM 289 C GLU A 21 6.994 -10.123 1.750 1.00 0.00 C ATOM 290 O GLU A 21 6.448 -11.003 2.415 1.00 0.00 O ATOM 291 CB GLU A 21 8.301 -10.646 -0.343 1.00 0.00 C ATOM 292 CG GLU A 21 9.076 -9.603 -1.152 1.00 0.00 C ATOM 293 CD GLU A 21 8.132 -8.549 -1.734 1.00 0.00 C ATOM 294 OE1 GLU A 21 7.018 -8.418 -1.183 1.00 0.00 O ATOM 295 OE2 GLU A 21 8.547 -7.897 -2.717 1.00 0.00 O ATOM 0 H GLU A 21 8.804 -12.364 1.559 1.00 0.00 H new ATOM 0 HA GLU A 21 8.967 -9.437 1.281 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.702 -11.639 -0.545 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.257 -10.653 -0.657 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.817 -9.121 -0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.620 -10.094 -1.959 1.00 0.00 H new ATOM 302 N MET A 22 6.461 -8.939 1.489 1.00 0.00 N ATOM 303 CA MET A 22 5.144 -8.585 1.990 1.00 0.00 C ATOM 304 C MET A 22 4.079 -8.763 0.906 1.00 0.00 C ATOM 305 O MET A 22 4.301 -8.411 -0.251 1.00 0.00 O ATOM 306 CB MET A 22 5.152 -7.130 2.464 1.00 0.00 C ATOM 307 CG MET A 22 3.751 -6.685 2.890 1.00 0.00 C ATOM 308 SD MET A 22 3.840 -5.773 4.422 1.00 0.00 S ATOM 309 CE MET A 22 3.503 -4.126 3.823 1.00 0.00 C ATOM 0 H MET A 22 6.917 -8.212 0.937 1.00 0.00 H new ATOM 0 HA MET A 22 4.903 -9.246 2.822 1.00 0.00 H new ATOM 0 HB2 MET A 22 5.843 -7.020 3.300 1.00 0.00 H new ATOM 0 HB3 MET A 22 5.515 -6.485 1.664 1.00 0.00 H new ATOM 0 HG2 MET A 22 3.306 -6.064 2.113 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.105 -7.555 3.012 1.00 0.00 H new ATOM 0 HE1 MET A 22 3.694 -3.404 4.617 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.149 -3.909 2.972 1.00 0.00 H new ATOM 0 HE3 MET A 22 2.460 -4.058 3.514 1.00 0.00 H new ATOM 319 N SER A 23 2.945 -9.310 1.319 1.00 0.00 N ATOM 320 CA SER A 23 1.845 -9.540 0.398 1.00 0.00 C ATOM 321 C SER A 23 0.722 -8.535 0.663 1.00 0.00 C ATOM 322 O SER A 23 0.332 -8.324 1.811 1.00 0.00 O ATOM 323 CB SER A 23 1.316 -10.970 0.517 1.00 0.00 C ATOM 324 OG SER A 23 1.058 -11.333 1.870 1.00 0.00 O ATOM 0 H SER A 23 2.764 -9.601 2.280 1.00 0.00 H new ATOM 0 HA SER A 23 2.216 -9.402 -0.618 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.400 -11.067 -0.065 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.041 -11.662 0.088 1.00 0.00 H new ATOM 0 HG SER A 23 0.997 -10.524 2.420 1.00 0.00 H new ATOM 330 N PHE A 24 0.235 -7.942 -0.416 1.00 0.00 N ATOM 331 CA PHE A 24 -0.836 -6.965 -0.315 1.00 0.00 C ATOM 332 C PHE A 24 -1.616 -6.867 -1.627 1.00 0.00 C ATOM 333 O PHE A 24 -1.262 -7.512 -2.613 1.00 0.00 O ATOM 334 CB PHE A 24 -0.181 -5.613 -0.023 1.00 0.00 C ATOM 335 CG PHE A 24 0.856 -5.186 -1.064 1.00 0.00 C ATOM 336 CD1 PHE A 24 0.462 -4.866 -2.325 1.00 0.00 C ATOM 337 CD2 PHE A 24 2.173 -5.128 -0.728 1.00 0.00 C ATOM 338 CE1 PHE A 24 1.424 -4.470 -3.291 1.00 0.00 C ATOM 339 CE2 PHE A 24 3.135 -4.732 -1.693 1.00 0.00 C ATOM 340 CZ PHE A 24 2.741 -4.411 -2.955 1.00 0.00 C ATOM 0 H PHE A 24 0.562 -8.119 -1.366 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.534 -7.258 0.469 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.957 -4.850 0.036 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.298 -5.657 0.955 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -0.583 -4.913 -2.592 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.486 -5.383 0.273 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.110 -4.216 -4.293 1.00 0.00 H new ATOM 0 HE2 PHE A 24 4.180 -4.685 -1.426 1.00 0.00 H new ATOM 0 HZ PHE A 24 3.473 -4.110 -3.690 1.00 0.00 H new ATOM 350 N ASN A 25 -2.664 -6.057 -1.597 1.00 0.00 N ATOM 351 CA ASN A 25 -3.497 -5.867 -2.772 1.00 0.00 C ATOM 352 C ASN A 25 -3.833 -4.382 -2.919 1.00 0.00 C ATOM 353 O ASN A 25 -3.858 -3.647 -1.933 1.00 0.00 O ATOM 354 CB ASN A 25 -4.812 -6.639 -2.645 1.00 0.00 C ATOM 355 CG ASN A 25 -4.638 -8.094 -3.082 1.00 0.00 C ATOM 356 OD1 ASN A 25 -4.255 -8.392 -4.202 1.00 0.00 O ATOM 357 ND2 ASN A 25 -4.939 -8.982 -2.139 1.00 0.00 N ATOM 0 H ASN A 25 -2.955 -5.525 -0.777 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.946 -6.232 -3.639 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.160 -6.605 -1.612 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.579 -6.161 -3.255 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.855 -9.980 -2.333 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.254 -8.665 -1.222 1.00 0.00 H new ATOM 364 N SER A 26 -4.082 -3.984 -4.158 1.00 0.00 N ATOM 365 CA SER A 26 -4.415 -2.599 -4.447 1.00 0.00 C ATOM 366 C SER A 26 -5.546 -2.131 -3.530 1.00 0.00 C ATOM 367 O SER A 26 -6.531 -2.843 -3.340 1.00 0.00 O ATOM 368 CB SER A 26 -4.813 -2.423 -5.914 1.00 0.00 C ATOM 369 OG SER A 26 -6.011 -3.127 -6.230 1.00 0.00 O ATOM 0 H SER A 26 -4.060 -4.596 -4.973 1.00 0.00 H new ATOM 0 HA SER A 26 -3.531 -1.989 -4.263 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.948 -1.363 -6.128 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.005 -2.777 -6.554 1.00 0.00 H new ATOM 0 HG SER A 26 -6.232 -2.988 -7.175 1.00 0.00 H new ATOM 375 N GLY A 27 -5.368 -0.936 -2.986 1.00 0.00 N ATOM 376 CA GLY A 27 -6.362 -0.364 -2.094 1.00 0.00 C ATOM 377 C GLY A 27 -6.109 -0.790 -0.646 1.00 0.00 C ATOM 378 O GLY A 27 -7.017 -1.267 0.032 1.00 0.00 O ATOM 0 H GLY A 27 -4.550 -0.348 -3.146 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.338 0.723 -2.166 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.358 -0.682 -2.402 1.00 0.00 H new ATOM 382 N ASP A 28 -4.870 -0.602 -0.216 1.00 0.00 N ATOM 383 CA ASP A 28 -4.486 -0.961 1.138 1.00 0.00 C ATOM 384 C ASP A 28 -3.389 -0.010 1.621 1.00 0.00 C ATOM 385 O ASP A 28 -2.301 0.030 1.049 1.00 0.00 O ATOM 386 CB ASP A 28 -3.934 -2.387 1.195 1.00 0.00 C ATOM 387 CG ASP A 28 -4.952 -3.487 0.887 1.00 0.00 C ATOM 388 OD1 ASP A 28 -6.114 -3.321 1.317 1.00 0.00 O ATOM 389 OD2 ASP A 28 -4.545 -4.469 0.229 1.00 0.00 O ATOM 0 H ASP A 28 -4.119 -0.206 -0.782 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.372 -0.892 1.769 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.108 -2.469 0.489 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.522 -2.562 2.189 1.00 0.00 H new ATOM 394 N ILE A 29 -3.713 0.732 2.670 1.00 0.00 N ATOM 395 CA ILE A 29 -2.769 1.680 3.236 1.00 0.00 C ATOM 396 C ILE A 29 -1.681 0.918 3.996 1.00 0.00 C ATOM 397 O ILE A 29 -1.980 0.140 4.900 1.00 0.00 O ATOM 398 CB ILE A 29 -3.499 2.720 4.088 1.00 0.00 C ATOM 399 CG1 ILE A 29 -4.560 3.456 3.266 1.00 0.00 C ATOM 400 CG2 ILE A 29 -2.510 3.687 4.742 1.00 0.00 C ATOM 401 CD1 ILE A 29 -3.916 4.257 2.132 1.00 0.00 C ATOM 0 H ILE A 29 -4.616 0.696 3.143 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.273 2.241 2.444 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.018 2.198 4.892 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.268 2.738 2.852 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.127 4.126 3.913 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.056 4.415 5.342 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.826 3.130 5.382 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.943 4.205 3.969 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.691 4.770 1.563 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.227 4.991 2.550 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.370 3.581 1.473 1.00 0.00 H new ATOM 413 N ILE A 30 -0.442 1.169 3.600 1.00 0.00 N ATOM 414 CA ILE A 30 0.692 0.516 4.232 1.00 0.00 C ATOM 415 C ILE A 30 1.458 1.537 5.076 1.00 0.00 C ATOM 416 O ILE A 30 1.471 2.725 4.759 1.00 0.00 O ATOM 417 CB ILE A 30 1.557 -0.188 3.185 1.00 0.00 C ATOM 418 CG1 ILE A 30 0.780 -1.313 2.498 1.00 0.00 C ATOM 419 CG2 ILE A 30 2.866 -0.688 3.801 1.00 0.00 C ATOM 420 CD1 ILE A 30 1.707 -2.173 1.637 1.00 0.00 C ATOM 0 H ILE A 30 -0.198 1.815 2.850 1.00 0.00 H new ATOM 0 HA ILE A 30 0.351 -0.267 4.909 1.00 0.00 H new ATOM 0 HB ILE A 30 1.820 0.538 2.416 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.294 -1.936 3.249 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.009 -0.888 1.877 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.462 -1.185 3.035 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.424 0.157 4.204 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.645 -1.393 4.603 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.130 -2.965 1.160 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.173 -1.552 0.872 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.480 -2.616 2.265 1.00 0.00 H new ATOM 432 N GLN A 31 2.077 1.036 6.136 1.00 0.00 N ATOM 433 CA GLN A 31 2.842 1.890 7.028 1.00 0.00 C ATOM 434 C GLN A 31 4.341 1.703 6.785 1.00 0.00 C ATOM 435 O GLN A 31 4.943 0.759 7.294 1.00 0.00 O ATOM 436 CB GLN A 31 2.485 1.615 8.490 1.00 0.00 C ATOM 437 CG GLN A 31 1.048 2.042 8.793 1.00 0.00 C ATOM 438 CD GLN A 31 0.960 3.553 9.015 1.00 0.00 C ATOM 439 OE1 GLN A 31 1.891 4.195 9.473 1.00 0.00 O ATOM 440 NE2 GLN A 31 -0.208 4.084 8.665 1.00 0.00 N ATOM 0 H GLN A 31 2.064 0.050 6.396 1.00 0.00 H new ATOM 0 HA GLN A 31 2.586 2.928 6.815 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.605 0.553 8.704 1.00 0.00 H new ATOM 0 HB3 GLN A 31 3.173 2.152 9.143 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.397 1.754 7.967 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.689 1.519 9.679 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.946 3.489 8.288 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.366 5.086 8.774 1.00 0.00 H new ATOM 449 N VAL A 32 4.900 2.618 6.006 1.00 0.00 N ATOM 450 CA VAL A 32 6.317 2.566 5.689 1.00 0.00 C ATOM 451 C VAL A 32 7.112 3.234 6.813 1.00 0.00 C ATOM 452 O VAL A 32 6.696 4.262 7.346 1.00 0.00 O ATOM 453 CB VAL A 32 6.571 3.199 4.320 1.00 0.00 C ATOM 454 CG1 VAL A 32 8.069 3.385 4.071 1.00 0.00 C ATOM 455 CG2 VAL A 32 5.929 2.371 3.205 1.00 0.00 C ATOM 0 H VAL A 32 4.397 3.399 5.585 1.00 0.00 H new ATOM 0 HA VAL A 32 6.655 1.532 5.622 1.00 0.00 H new ATOM 0 HB VAL A 32 6.106 4.185 4.316 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.222 3.837 3.091 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.488 4.035 4.839 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.567 2.416 4.105 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.125 2.843 2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.351 1.366 3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.853 2.313 3.368 1.00 0.00 H new ATOM 465 N ASP A 33 8.241 2.623 7.140 1.00 0.00 N ATOM 466 CA ASP A 33 9.098 3.146 8.191 1.00 0.00 C ATOM 467 C ASP A 33 10.463 3.504 7.600 1.00 0.00 C ATOM 468 O ASP A 33 11.349 2.655 7.515 1.00 0.00 O ATOM 469 CB ASP A 33 9.317 2.106 9.291 1.00 0.00 C ATOM 470 CG ASP A 33 8.944 2.568 10.701 1.00 0.00 C ATOM 471 OD1 ASP A 33 8.853 3.800 10.890 1.00 0.00 O ATOM 472 OD2 ASP A 33 8.758 1.678 11.559 1.00 0.00 O ATOM 0 H ASP A 33 8.582 1.771 6.696 1.00 0.00 H new ATOM 0 HA ASP A 33 8.612 4.024 8.616 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.735 1.217 9.050 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.366 1.811 9.287 1.00 0.00 H new ATOM 477 N GLU A 34 10.590 4.763 7.206 1.00 0.00 N ATOM 478 CA GLU A 34 11.832 5.244 6.625 1.00 0.00 C ATOM 479 C GLU A 34 13.007 4.932 7.553 1.00 0.00 C ATOM 480 O GLU A 34 14.120 4.684 7.090 1.00 0.00 O ATOM 481 CB GLU A 34 11.753 6.742 6.325 1.00 0.00 C ATOM 482 CG GLU A 34 11.150 6.993 4.941 1.00 0.00 C ATOM 483 CD GLU A 34 12.014 7.963 4.134 1.00 0.00 C ATOM 484 OE1 GLU A 34 13.232 7.697 4.043 1.00 0.00 O ATOM 485 OE2 GLU A 34 11.438 8.948 3.625 1.00 0.00 O ATOM 0 H GLU A 34 9.853 5.465 7.278 1.00 0.00 H new ATOM 0 HA GLU A 34 11.993 4.726 5.680 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.148 7.237 7.084 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.750 7.180 6.376 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.058 6.049 4.404 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.144 7.399 5.047 1.00 0.00 H new ATOM 492 N LYS A 35 12.721 4.954 8.847 1.00 0.00 N ATOM 493 CA LYS A 35 13.741 4.677 9.844 1.00 0.00 C ATOM 494 C LYS A 35 14.323 3.284 9.598 1.00 0.00 C ATOM 495 O LYS A 35 15.540 3.119 9.523 1.00 0.00 O ATOM 496 CB LYS A 35 13.178 4.868 11.253 1.00 0.00 C ATOM 497 CG LYS A 35 13.940 4.014 12.269 1.00 0.00 C ATOM 498 CD LYS A 35 13.412 4.246 13.686 1.00 0.00 C ATOM 499 CE LYS A 35 13.975 5.541 14.275 1.00 0.00 C ATOM 500 NZ LYS A 35 14.812 5.250 15.461 1.00 0.00 N ATOM 0 H LYS A 35 11.797 5.159 9.228 1.00 0.00 H new ATOM 0 HA LYS A 35 14.563 5.387 9.755 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.243 5.919 11.535 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.122 4.599 11.266 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.843 2.960 12.009 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.002 4.256 12.229 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.323 4.293 13.669 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.685 3.404 14.322 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.568 6.062 13.523 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.158 6.206 14.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.186 6.140 15.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.236 4.773 16.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.602 4.633 15.185 1.00 0.00 H new ATOM 514 N THR A 36 13.426 2.315 9.479 1.00 0.00 N ATOM 515 CA THR A 36 13.835 0.941 9.243 1.00 0.00 C ATOM 516 C THR A 36 14.810 0.870 8.066 1.00 0.00 C ATOM 517 O THR A 36 14.693 1.635 7.111 1.00 0.00 O ATOM 518 CB THR A 36 12.574 0.100 9.039 1.00 0.00 C ATOM 519 OG1 THR A 36 11.778 0.384 10.187 1.00 0.00 O ATOM 520 CG2 THR A 36 12.848 -1.401 9.138 1.00 0.00 C ATOM 0 H THR A 36 12.418 2.455 9.542 1.00 0.00 H new ATOM 0 HA THR A 36 14.377 0.537 10.098 1.00 0.00 H new ATOM 0 HB THR A 36 12.141 0.326 8.064 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.939 -0.119 10.136 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.919 -1.951 8.986 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.571 -1.690 8.375 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.250 -1.633 10.124 1.00 0.00 H new ATOM 528 N VAL A 37 15.751 -0.057 8.174 1.00 0.00 N ATOM 529 CA VAL A 37 16.746 -0.239 7.130 1.00 0.00 C ATOM 530 C VAL A 37 16.040 -0.531 5.805 1.00 0.00 C ATOM 531 O VAL A 37 14.845 -0.822 5.784 1.00 0.00 O ATOM 532 CB VAL A 37 17.735 -1.334 7.535 1.00 0.00 C ATOM 533 CG1 VAL A 37 18.492 -0.946 8.807 1.00 0.00 C ATOM 534 CG2 VAL A 37 17.024 -2.678 7.708 1.00 0.00 C ATOM 0 H VAL A 37 15.845 -0.690 8.968 1.00 0.00 H new ATOM 0 HA VAL A 37 17.329 0.672 6.994 1.00 0.00 H new ATOM 0 HB VAL A 37 18.464 -1.442 6.731 1.00 0.00 H new ATOM 0 HG11 VAL A 37 19.188 -1.741 9.073 1.00 0.00 H new ATOM 0 HG12 VAL A 37 19.045 -0.023 8.634 1.00 0.00 H new ATOM 0 HG13 VAL A 37 17.783 -0.797 9.621 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.749 -3.439 7.996 1.00 0.00 H new ATOM 0 HG22 VAL A 37 16.263 -2.590 8.484 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.552 -2.964 6.768 1.00 0.00 H new ATOM 544 N GLY A 38 16.809 -0.443 4.730 1.00 0.00 N ATOM 545 CA GLY A 38 16.273 -0.694 3.403 1.00 0.00 C ATOM 546 C GLY A 38 17.091 0.033 2.334 1.00 0.00 C ATOM 547 O GLY A 38 17.388 1.218 2.474 1.00 0.00 O ATOM 0 H GLY A 38 17.800 -0.201 4.751 1.00 0.00 H new ATOM 0 HA2 GLY A 38 16.276 -1.765 3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.235 -0.365 3.358 1.00 0.00 H new ATOM 551 N GLU A 39 17.432 -0.708 1.290 1.00 0.00 N ATOM 552 CA GLU A 39 18.210 -0.148 0.197 1.00 0.00 C ATOM 553 C GLU A 39 17.524 1.102 -0.357 1.00 0.00 C ATOM 554 O GLU A 39 16.373 1.382 -0.025 1.00 0.00 O ATOM 555 CB GLU A 39 18.434 -1.185 -0.904 1.00 0.00 C ATOM 556 CG GLU A 39 19.846 -1.770 -0.829 1.00 0.00 C ATOM 557 CD GLU A 39 20.575 -1.616 -2.166 1.00 0.00 C ATOM 558 OE1 GLU A 39 20.189 -2.340 -3.109 1.00 0.00 O ATOM 559 OE2 GLU A 39 21.502 -0.778 -2.214 1.00 0.00 O ATOM 0 H GLU A 39 17.184 -1.691 1.177 1.00 0.00 H new ATOM 0 HA GLU A 39 19.188 0.140 0.583 1.00 0.00 H new ATOM 0 HB2 GLU A 39 17.700 -1.985 -0.809 1.00 0.00 H new ATOM 0 HB3 GLU A 39 18.279 -0.724 -1.879 1.00 0.00 H new ATOM 0 HG2 GLU A 39 20.410 -1.268 -0.043 1.00 0.00 H new ATOM 0 HG3 GLU A 39 19.793 -2.825 -0.559 1.00 0.00 H new ATOM 566 N PRO A 40 18.278 1.839 -1.216 1.00 0.00 N ATOM 567 CA PRO A 40 17.754 3.052 -1.820 1.00 0.00 C ATOM 568 C PRO A 40 16.752 2.724 -2.928 1.00 0.00 C ATOM 569 O PRO A 40 16.214 3.625 -3.571 1.00 0.00 O ATOM 570 CB PRO A 40 18.977 3.798 -2.328 1.00 0.00 C ATOM 571 CG PRO A 40 20.092 2.768 -2.406 1.00 0.00 C ATOM 572 CD PRO A 40 19.644 1.538 -1.633 1.00 0.00 C ATOM 0 HA PRO A 40 17.194 3.665 -1.114 1.00 0.00 H new ATOM 0 HB2 PRO A 40 18.786 4.241 -3.305 1.00 0.00 H new ATOM 0 HB3 PRO A 40 19.245 4.613 -1.655 1.00 0.00 H new ATOM 0 HG2 PRO A 40 20.302 2.511 -3.444 1.00 0.00 H new ATOM 0 HG3 PRO A 40 21.013 3.170 -1.984 1.00 0.00 H new ATOM 0 HD2 PRO A 40 19.680 0.644 -2.256 1.00 0.00 H new ATOM 0 HD3 PRO A 40 20.289 1.354 -0.774 1.00 0.00 H new ATOM 580 N GLY A 41 16.530 1.432 -3.118 1.00 0.00 N ATOM 581 CA GLY A 41 15.601 0.974 -4.137 1.00 0.00 C ATOM 582 C GLY A 41 14.580 -0.002 -3.550 1.00 0.00 C ATOM 583 O GLY A 41 13.917 -0.731 -4.286 1.00 0.00 O ATOM 0 H GLY A 41 16.978 0.688 -2.583 1.00 0.00 H new ATOM 0 HA2 GLY A 41 15.083 1.829 -4.573 1.00 0.00 H new ATOM 0 HA3 GLY A 41 16.151 0.489 -4.944 1.00 0.00 H new ATOM 587 N TRP A 42 14.485 0.015 -2.228 1.00 0.00 N ATOM 588 CA TRP A 42 13.555 -0.859 -1.533 1.00 0.00 C ATOM 589 C TRP A 42 12.779 -0.015 -0.521 1.00 0.00 C ATOM 590 O TRP A 42 13.263 1.022 -0.071 1.00 0.00 O ATOM 591 CB TRP A 42 14.288 -2.039 -0.891 1.00 0.00 C ATOM 592 CG TRP A 42 14.874 -3.030 -1.898 1.00 0.00 C ATOM 593 CD1 TRP A 42 15.989 -2.902 -2.629 1.00 0.00 C ATOM 594 CD2 TRP A 42 14.325 -4.316 -2.258 1.00 0.00 C ATOM 595 NE1 TRP A 42 16.199 -4.006 -3.431 1.00 0.00 N ATOM 596 CE2 TRP A 42 15.155 -4.893 -3.198 1.00 0.00 C ATOM 597 CE3 TRP A 42 13.166 -4.970 -1.804 1.00 0.00 C ATOM 598 CZ2 TRP A 42 14.915 -6.151 -3.764 1.00 0.00 C ATOM 599 CZ3 TRP A 42 12.940 -6.226 -2.380 1.00 0.00 C ATOM 600 CH2 TRP A 42 13.765 -6.820 -3.327 1.00 0.00 C ATOM 0 H TRP A 42 15.037 0.620 -1.620 1.00 0.00 H new ATOM 0 HA TRP A 42 12.846 -1.302 -2.232 1.00 0.00 H new ATOM 0 HB2 TRP A 42 15.093 -1.656 -0.264 1.00 0.00 H new ATOM 0 HB3 TRP A 42 13.597 -2.569 -0.235 1.00 0.00 H new ATOM 0 HD1 TRP A 42 16.642 -2.043 -2.595 1.00 0.00 H new ATOM 0 HE1 TRP A 42 16.977 -4.145 -4.076 1.00 0.00 H new ATOM 0 HE3 TRP A 42 12.503 -4.538 -1.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 15.580 -6.582 -4.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 12.062 -6.772 -2.066 1.00 0.00 H new ATOM 0 HH2 TRP A 42 13.520 -7.794 -3.725 1.00 0.00 H new ATOM 611 N LEU A 43 11.587 -0.491 -0.192 1.00 0.00 N ATOM 612 CA LEU A 43 10.739 0.208 0.760 1.00 0.00 C ATOM 613 C LEU A 43 10.075 -0.811 1.688 1.00 0.00 C ATOM 614 O LEU A 43 9.423 -1.746 1.224 1.00 0.00 O ATOM 615 CB LEU A 43 9.746 1.112 0.028 1.00 0.00 C ATOM 616 CG LEU A 43 10.301 2.443 -0.484 1.00 0.00 C ATOM 617 CD1 LEU A 43 9.231 3.228 -1.244 1.00 0.00 C ATOM 618 CD2 LEU A 43 10.908 3.260 0.658 1.00 0.00 C ATOM 0 H LEU A 43 11.188 -1.352 -0.567 1.00 0.00 H new ATOM 0 HA LEU A 43 11.335 0.870 1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.340 0.560 -0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.914 1.323 0.700 1.00 0.00 H new ATOM 0 HG LEU A 43 11.104 2.229 -1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.652 4.169 -1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.887 2.642 -2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.390 3.432 -0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.295 4.201 0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.142 3.466 1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.720 2.696 1.117 1.00 0.00 H new ATOM 630 N TYR A 44 10.263 -0.596 2.982 1.00 0.00 N ATOM 631 CA TYR A 44 9.690 -1.484 3.979 1.00 0.00 C ATOM 632 C TYR A 44 8.468 -0.847 4.643 1.00 0.00 C ATOM 633 O TYR A 44 8.433 0.364 4.855 1.00 0.00 O ATOM 634 CB TYR A 44 10.778 -1.691 5.034 1.00 0.00 C ATOM 635 CG TYR A 44 10.402 -2.692 6.128 1.00 0.00 C ATOM 636 CD1 TYR A 44 10.142 -4.008 5.800 1.00 0.00 C ATOM 637 CD2 TYR A 44 10.322 -2.280 7.443 1.00 0.00 C ATOM 638 CE1 TYR A 44 9.788 -4.950 6.830 1.00 0.00 C ATOM 639 CE2 TYR A 44 9.968 -3.222 8.472 1.00 0.00 C ATOM 640 CZ TYR A 44 9.718 -4.511 8.115 1.00 0.00 C ATOM 641 OH TYR A 44 9.384 -5.401 9.088 1.00 0.00 O ATOM 0 H TYR A 44 10.804 0.180 3.363 1.00 0.00 H new ATOM 0 HA TYR A 44 9.368 -2.419 3.520 1.00 0.00 H new ATOM 0 HB2 TYR A 44 11.688 -2.033 4.540 1.00 0.00 H new ATOM 0 HB3 TYR A 44 11.008 -0.731 5.497 1.00 0.00 H new ATOM 0 HD1 TYR A 44 10.204 -4.331 4.771 1.00 0.00 H new ATOM 0 HD2 TYR A 44 10.525 -1.251 7.700 1.00 0.00 H new ATOM 0 HE1 TYR A 44 9.583 -5.982 6.587 1.00 0.00 H new ATOM 0 HE2 TYR A 44 9.902 -2.913 9.505 1.00 0.00 H new ATOM 0 HH TYR A 44 9.374 -4.947 9.957 1.00 0.00 H new ATOM 651 N GLY A 45 7.495 -1.692 4.952 1.00 0.00 N ATOM 652 CA GLY A 45 6.274 -1.226 5.587 1.00 0.00 C ATOM 653 C GLY A 45 5.615 -2.346 6.395 1.00 0.00 C ATOM 654 O GLY A 45 6.029 -3.502 6.314 1.00 0.00 O ATOM 0 H GLY A 45 7.528 -2.696 4.774 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.499 -0.384 6.242 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.581 -0.864 4.828 1.00 0.00 H new ATOM 658 N SER A 46 4.599 -1.965 7.156 1.00 0.00 N ATOM 659 CA SER A 46 3.879 -2.923 7.977 1.00 0.00 C ATOM 660 C SER A 46 2.374 -2.794 7.733 1.00 0.00 C ATOM 661 O SER A 46 1.787 -1.743 7.986 1.00 0.00 O ATOM 662 CB SER A 46 4.194 -2.723 9.461 1.00 0.00 C ATOM 663 OG SER A 46 3.680 -1.489 9.955 1.00 0.00 O ATOM 0 H SER A 46 4.258 -1.006 7.221 1.00 0.00 H new ATOM 0 HA SER A 46 4.202 -3.925 7.696 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.772 -3.547 10.035 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.273 -2.751 9.609 1.00 0.00 H new ATOM 0 HG SER A 46 2.827 -1.290 9.515 1.00 0.00 H new ATOM 669 N PHE A 47 1.791 -3.879 7.243 1.00 0.00 N ATOM 670 CA PHE A 47 0.366 -3.901 6.961 1.00 0.00 C ATOM 671 C PHE A 47 -0.345 -4.952 7.816 1.00 0.00 C ATOM 672 O PHE A 47 0.302 -5.739 8.505 1.00 0.00 O ATOM 673 CB PHE A 47 0.208 -4.269 5.485 1.00 0.00 C ATOM 674 CG PHE A 47 -1.239 -4.238 4.988 1.00 0.00 C ATOM 675 CD1 PHE A 47 -2.024 -3.157 5.245 1.00 0.00 C ATOM 676 CD2 PHE A 47 -1.741 -5.291 4.289 1.00 0.00 C ATOM 677 CE1 PHE A 47 -3.366 -3.129 4.784 1.00 0.00 C ATOM 678 CE2 PHE A 47 -3.083 -5.262 3.827 1.00 0.00 C ATOM 679 CZ PHE A 47 -3.868 -4.182 4.085 1.00 0.00 C ATOM 0 H PHE A 47 2.280 -4.749 7.034 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.074 -2.930 7.187 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.803 -3.581 4.884 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.615 -5.267 5.324 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.626 -2.320 5.800 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.118 -6.150 4.085 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -3.989 -2.271 4.988 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.481 -6.098 3.271 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.889 -4.161 3.735 1.00 0.00 H new ATOM 689 N GLN A 48 -1.668 -4.931 7.743 1.00 0.00 N ATOM 690 CA GLN A 48 -2.475 -5.872 8.501 1.00 0.00 C ATOM 691 C GLN A 48 -1.768 -7.226 8.589 1.00 0.00 C ATOM 692 O GLN A 48 -1.645 -7.933 7.589 1.00 0.00 O ATOM 693 CB GLN A 48 -3.868 -6.020 7.886 1.00 0.00 C ATOM 694 CG GLN A 48 -4.713 -4.769 8.135 1.00 0.00 C ATOM 695 CD GLN A 48 -6.032 -5.127 8.822 1.00 0.00 C ATOM 696 OE1 GLN A 48 -6.922 -5.726 8.241 1.00 0.00 O ATOM 697 NE2 GLN A 48 -6.109 -4.726 10.088 1.00 0.00 N ATOM 0 H GLN A 48 -2.201 -4.277 7.170 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.600 -5.482 9.511 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.779 -6.196 6.814 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.367 -6.891 8.312 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.155 -4.066 8.754 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.916 -4.268 7.188 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -5.327 -4.229 10.514 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.950 -4.916 10.633 1.00 0.00 H new ATOM 706 N GLY A 49 -1.321 -7.548 9.794 1.00 0.00 N ATOM 707 CA GLY A 49 -0.630 -8.804 10.026 1.00 0.00 C ATOM 708 C GLY A 49 0.234 -9.185 8.821 1.00 0.00 C ATOM 709 O GLY A 49 0.342 -10.361 8.477 1.00 0.00 O ATOM 0 H GLY A 49 -1.424 -6.960 10.621 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.004 -8.720 10.915 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.357 -9.593 10.221 1.00 0.00 H new ATOM 713 N ASN A 50 0.827 -8.168 8.214 1.00 0.00 N ATOM 714 CA ASN A 50 1.678 -8.381 7.056 1.00 0.00 C ATOM 715 C ASN A 50 2.858 -7.407 7.109 1.00 0.00 C ATOM 716 O ASN A 50 2.675 -6.198 6.981 1.00 0.00 O ATOM 717 CB ASN A 50 0.913 -8.126 5.756 1.00 0.00 C ATOM 718 CG ASN A 50 0.212 -9.397 5.274 1.00 0.00 C ATOM 719 OD1 ASN A 50 0.690 -10.110 4.406 1.00 0.00 O ATOM 720 ND2 ASN A 50 -0.945 -9.641 5.883 1.00 0.00 N ATOM 0 H ASN A 50 0.735 -7.194 8.502 1.00 0.00 H new ATOM 0 HA ASN A 50 2.021 -9.415 7.076 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.177 -7.337 5.912 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.601 -7.773 4.988 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -1.490 -10.466 5.632 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.288 -9.003 6.601 1.00 0.00 H new ATOM 727 N PHE A 51 4.041 -7.972 7.299 1.00 0.00 N ATOM 728 CA PHE A 51 5.250 -7.169 7.370 1.00 0.00 C ATOM 729 C PHE A 51 6.375 -7.796 6.543 1.00 0.00 C ATOM 730 O PHE A 51 6.868 -8.873 6.875 1.00 0.00 O ATOM 731 CB PHE A 51 5.675 -7.130 8.840 1.00 0.00 C ATOM 732 CG PHE A 51 4.505 -7.147 9.826 1.00 0.00 C ATOM 733 CD1 PHE A 51 3.728 -8.257 9.940 1.00 0.00 C ATOM 734 CD2 PHE A 51 4.243 -6.052 10.588 1.00 0.00 C ATOM 735 CE1 PHE A 51 2.643 -8.273 10.855 1.00 0.00 C ATOM 736 CE2 PHE A 51 3.157 -6.067 11.504 1.00 0.00 C ATOM 737 CZ PHE A 51 2.380 -7.178 11.618 1.00 0.00 C ATOM 0 H PHE A 51 4.188 -8.976 7.406 1.00 0.00 H new ATOM 0 HA PHE A 51 5.058 -6.172 6.975 1.00 0.00 H new ATOM 0 HB2 PHE A 51 6.321 -7.984 9.044 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.269 -6.233 9.012 1.00 0.00 H new ATOM 0 HD1 PHE A 51 3.936 -9.127 9.334 1.00 0.00 H new ATOM 0 HD2 PHE A 51 4.860 -5.171 10.497 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.026 -9.155 10.945 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.948 -5.197 12.109 1.00 0.00 H new ATOM 0 HZ PHE A 51 1.554 -7.191 12.314 1.00 0.00 H new ATOM 747 N GLY A 52 6.747 -7.095 5.482 1.00 0.00 N ATOM 748 CA GLY A 52 7.804 -7.569 4.605 1.00 0.00 C ATOM 749 C GLY A 52 8.421 -6.414 3.815 1.00 0.00 C ATOM 750 O GLY A 52 8.136 -5.249 4.088 1.00 0.00 O ATOM 0 H GLY A 52 6.335 -6.202 5.210 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.576 -8.064 5.195 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.403 -8.312 3.916 1.00 0.00 H new ATOM 754 N TRP A 53 9.255 -6.776 2.852 1.00 0.00 N ATOM 755 CA TRP A 53 9.915 -5.784 2.021 1.00 0.00 C ATOM 756 C TRP A 53 9.266 -5.821 0.635 1.00 0.00 C ATOM 757 O TRP A 53 8.798 -6.869 0.193 1.00 0.00 O ATOM 758 CB TRP A 53 11.426 -6.020 1.979 1.00 0.00 C ATOM 759 CG TRP A 53 12.083 -6.088 3.359 1.00 0.00 C ATOM 760 CD1 TRP A 53 12.024 -7.085 4.253 1.00 0.00 C ATOM 761 CD2 TRP A 53 12.906 -5.072 3.971 1.00 0.00 C ATOM 762 NE1 TRP A 53 12.746 -6.787 5.391 1.00 0.00 N ATOM 763 CE2 TRP A 53 13.299 -5.524 5.214 1.00 0.00 C ATOM 764 CE3 TRP A 53 13.305 -3.813 3.489 1.00 0.00 C ATOM 765 CZ2 TRP A 53 14.111 -4.781 6.079 1.00 0.00 C ATOM 766 CZ3 TRP A 53 14.116 -3.082 4.365 1.00 0.00 C ATOM 767 CH2 TRP A 53 14.521 -3.523 5.620 1.00 0.00 C ATOM 0 H TRP A 53 9.489 -7.743 2.628 1.00 0.00 H new ATOM 0 HA TRP A 53 9.788 -4.785 2.439 1.00 0.00 H new ATOM 0 HB2 TRP A 53 11.623 -6.951 1.447 1.00 0.00 H new ATOM 0 HB3 TRP A 53 11.893 -5.220 1.405 1.00 0.00 H new ATOM 0 HD1 TRP A 53 11.480 -8.006 4.102 1.00 0.00 H new ATOM 0 HE1 TRP A 53 12.854 -7.384 6.211 1.00 0.00 H new ATOM 0 HE3 TRP A 53 13.009 -3.439 2.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 14.405 -5.157 7.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 14.451 -2.107 4.043 1.00 0.00 H new ATOM 0 HH2 TRP A 53 15.149 -2.898 6.238 1.00 0.00 H new ATOM 778 N PHE A 54 9.259 -4.664 -0.010 1.00 0.00 N ATOM 779 CA PHE A 54 8.675 -4.551 -1.336 1.00 0.00 C ATOM 780 C PHE A 54 9.445 -3.541 -2.190 1.00 0.00 C ATOM 781 O PHE A 54 10.162 -2.694 -1.660 1.00 0.00 O ATOM 782 CB PHE A 54 7.239 -4.056 -1.152 1.00 0.00 C ATOM 783 CG PHE A 54 7.131 -2.728 -0.400 1.00 0.00 C ATOM 784 CD1 PHE A 54 7.220 -1.553 -1.078 1.00 0.00 C ATOM 785 CD2 PHE A 54 6.945 -2.723 0.948 1.00 0.00 C ATOM 786 CE1 PHE A 54 7.119 -0.320 -0.379 1.00 0.00 C ATOM 787 CE2 PHE A 54 6.845 -1.491 1.646 1.00 0.00 C ATOM 788 CZ PHE A 54 6.934 -0.316 0.968 1.00 0.00 C ATOM 0 H PHE A 54 9.648 -3.797 0.360 1.00 0.00 H new ATOM 0 HA PHE A 54 8.711 -5.516 -1.842 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.775 -3.946 -2.132 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.670 -4.814 -0.614 1.00 0.00 H new ATOM 0 HD1 PHE A 54 7.367 -1.557 -2.148 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.873 -3.656 1.487 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.189 0.614 -0.917 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.698 -1.487 2.716 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.858 0.621 1.500 1.00 0.00 H new ATOM 798 N PRO A 55 9.265 -3.668 -3.532 1.00 0.00 N ATOM 799 CA PRO A 55 9.935 -2.777 -4.464 1.00 0.00 C ATOM 800 C PRO A 55 9.276 -1.396 -4.472 1.00 0.00 C ATOM 801 O PRO A 55 8.051 -1.288 -4.429 1.00 0.00 O ATOM 802 CB PRO A 55 9.853 -3.481 -5.809 1.00 0.00 C ATOM 803 CG PRO A 55 8.744 -4.511 -5.674 1.00 0.00 C ATOM 804 CD PRO A 55 8.424 -4.660 -4.195 1.00 0.00 C ATOM 0 HA PRO A 55 10.973 -2.586 -4.191 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.633 -2.773 -6.608 1.00 0.00 H new ATOM 0 HB3 PRO A 55 10.801 -3.958 -6.058 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.859 -4.194 -6.226 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.057 -5.466 -6.095 1.00 0.00 H new ATOM 0 HD2 PRO A 55 7.367 -4.478 -3.998 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.646 -5.667 -3.841 1.00 0.00 H new ATOM 812 N CYS A 56 10.117 -0.374 -4.526 1.00 0.00 N ATOM 813 CA CYS A 56 9.632 0.995 -4.540 1.00 0.00 C ATOM 814 C CYS A 56 9.082 1.296 -5.935 1.00 0.00 C ATOM 815 O CYS A 56 9.667 2.080 -6.682 1.00 0.00 O ATOM 816 CB CYS A 56 10.724 1.986 -4.131 1.00 0.00 C ATOM 817 SG CYS A 56 12.110 1.918 -5.323 1.00 0.00 S ATOM 0 H CYS A 56 11.132 -0.467 -4.561 1.00 0.00 H new ATOM 0 HA CYS A 56 8.836 1.109 -3.805 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.315 2.996 -4.094 1.00 0.00 H new ATOM 0 HB3 CYS A 56 11.083 1.751 -3.129 1.00 0.00 H new ATOM 0 HG CYS A 56 11.644 1.980 -6.535 1.00 0.00 H new ATOM 823 N ASN A 57 7.963 0.658 -6.246 1.00 0.00 N ATOM 824 CA ASN A 57 7.327 0.847 -7.538 1.00 0.00 C ATOM 825 C ASN A 57 5.821 0.617 -7.400 1.00 0.00 C ATOM 826 O ASN A 57 5.020 1.413 -7.888 1.00 0.00 O ATOM 827 CB ASN A 57 7.865 -0.148 -8.568 1.00 0.00 C ATOM 828 CG ASN A 57 7.041 -0.104 -9.856 1.00 0.00 C ATOM 829 OD1 ASN A 57 6.570 0.936 -10.287 1.00 0.00 O ATOM 830 ND2 ASN A 57 6.893 -1.287 -10.445 1.00 0.00 N ATOM 0 H ASN A 57 7.480 0.009 -5.624 1.00 0.00 H new ATOM 0 HA ASN A 57 7.540 1.862 -7.872 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.907 0.082 -8.791 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.842 -1.155 -8.152 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.359 -1.362 -11.311 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.314 -2.119 -10.031 1.00 0.00 H new ATOM 837 N TYR A 58 5.481 -0.475 -6.731 1.00 0.00 N ATOM 838 CA TYR A 58 4.085 -0.820 -6.522 1.00 0.00 C ATOM 839 C TYR A 58 3.523 -0.109 -5.289 1.00 0.00 C ATOM 840 O TYR A 58 2.843 -0.725 -4.470 1.00 0.00 O ATOM 841 CB TYR A 58 4.055 -2.331 -6.283 1.00 0.00 C ATOM 842 CG TYR A 58 4.510 -3.161 -7.485 1.00 0.00 C ATOM 843 CD1 TYR A 58 5.856 -3.338 -7.732 1.00 0.00 C ATOM 844 CD2 TYR A 58 3.573 -3.732 -8.323 1.00 0.00 C ATOM 845 CE1 TYR A 58 6.283 -4.119 -8.864 1.00 0.00 C ATOM 846 CE2 TYR A 58 4.001 -4.512 -9.455 1.00 0.00 C ATOM 847 CZ TYR A 58 5.335 -4.668 -9.670 1.00 0.00 C ATOM 848 OH TYR A 58 5.739 -5.405 -10.739 1.00 0.00 O ATOM 0 H TYR A 58 6.148 -1.132 -6.327 1.00 0.00 H new ATOM 0 HA TYR A 58 3.483 -0.521 -7.380 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.692 -2.566 -5.430 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.041 -2.626 -6.014 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.589 -2.891 -7.077 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.520 -3.594 -8.129 1.00 0.00 H new ATOM 0 HE1 TYR A 58 7.333 -4.266 -9.069 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.279 -4.963 -10.119 1.00 0.00 H new ATOM 0 HH TYR A 58 4.954 -5.735 -11.224 1.00 0.00 H new ATOM 858 N VAL A 59 3.828 1.177 -5.197 1.00 0.00 N ATOM 859 CA VAL A 59 3.362 1.978 -4.078 1.00 0.00 C ATOM 860 C VAL A 59 3.308 3.448 -4.497 1.00 0.00 C ATOM 861 O VAL A 59 3.881 3.828 -5.516 1.00 0.00 O ATOM 862 CB VAL A 59 4.250 1.736 -2.856 1.00 0.00 C ATOM 863 CG1 VAL A 59 4.126 0.292 -2.365 1.00 0.00 C ATOM 864 CG2 VAL A 59 5.708 2.089 -3.158 1.00 0.00 C ATOM 0 H VAL A 59 4.392 1.684 -5.879 1.00 0.00 H new ATOM 0 HA VAL A 59 2.352 1.685 -3.792 1.00 0.00 H new ATOM 0 HB VAL A 59 3.905 2.392 -2.057 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.767 0.147 -1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.091 0.089 -2.090 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.431 -0.390 -3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.317 1.908 -2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.069 1.471 -3.980 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.778 3.140 -3.437 1.00 0.00 H new ATOM 874 N GLU A 60 2.615 4.236 -3.688 1.00 0.00 N ATOM 875 CA GLU A 60 2.479 5.656 -3.961 1.00 0.00 C ATOM 876 C GLU A 60 2.407 6.445 -2.652 1.00 0.00 C ATOM 877 O GLU A 60 1.486 6.256 -1.860 1.00 0.00 O ATOM 878 CB GLU A 60 1.253 5.932 -4.835 1.00 0.00 C ATOM 879 CG GLU A 60 -0.025 5.432 -4.159 1.00 0.00 C ATOM 880 CD GLU A 60 -1.047 6.562 -4.017 1.00 0.00 C ATOM 881 OE1 GLU A 60 -1.209 7.309 -5.005 1.00 0.00 O ATOM 882 OE2 GLU A 60 -1.644 6.653 -2.922 1.00 0.00 O ATOM 0 H GLU A 60 2.141 3.917 -2.843 1.00 0.00 H new ATOM 0 HA GLU A 60 3.360 5.985 -4.513 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.172 7.002 -5.027 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.373 5.442 -5.801 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.455 4.619 -4.743 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.214 5.027 -3.176 1.00 0.00 H new ATOM 889 N LYS A 61 3.392 7.311 -2.465 1.00 0.00 N ATOM 890 CA LYS A 61 3.453 8.129 -1.266 1.00 0.00 C ATOM 891 C LYS A 61 2.115 8.848 -1.076 1.00 0.00 C ATOM 892 O LYS A 61 1.682 9.600 -1.947 1.00 0.00 O ATOM 893 CB LYS A 61 4.656 9.072 -1.320 1.00 0.00 C ATOM 894 CG LYS A 61 5.069 9.516 0.085 1.00 0.00 C ATOM 895 CD LYS A 61 6.223 10.518 0.026 1.00 0.00 C ATOM 896 CE LYS A 61 6.608 10.994 1.429 1.00 0.00 C ATOM 897 NZ LYS A 61 7.617 12.073 1.351 1.00 0.00 N ATOM 0 H LYS A 61 4.155 7.464 -3.124 1.00 0.00 H new ATOM 0 HA LYS A 61 3.608 7.504 -0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.493 8.572 -1.808 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.411 9.946 -1.924 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.217 9.967 0.593 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.367 8.647 0.672 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.086 10.057 -0.455 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.936 11.373 -0.586 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.723 11.353 1.953 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.004 10.159 2.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.867 12.384 2.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.468 11.718 0.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.226 12.876 0.817 1.00 0.00 H new ATOM 911 N MET A 62 1.499 8.591 0.068 1.00 0.00 N ATOM 912 CA MET A 62 0.220 9.204 0.383 1.00 0.00 C ATOM 913 C MET A 62 0.399 10.386 1.338 1.00 0.00 C ATOM 914 O MET A 62 1.434 10.511 1.990 1.00 0.00 O ATOM 915 CB MET A 62 -0.701 8.164 1.024 1.00 0.00 C ATOM 916 CG MET A 62 -1.452 7.365 -0.043 1.00 0.00 C ATOM 917 SD MET A 62 -3.072 8.066 -0.305 1.00 0.00 S ATOM 918 CE MET A 62 -3.817 7.726 1.281 1.00 0.00 C ATOM 0 H MET A 62 1.862 7.967 0.788 1.00 0.00 H new ATOM 0 HA MET A 62 -0.223 9.573 -0.542 1.00 0.00 H new ATOM 0 HB2 MET A 62 -0.114 7.487 1.645 1.00 0.00 H new ATOM 0 HB3 MET A 62 -1.415 8.661 1.681 1.00 0.00 H new ATOM 0 HG2 MET A 62 -0.889 7.371 -0.976 1.00 0.00 H new ATOM 0 HG3 MET A 62 -1.543 6.324 0.268 1.00 0.00 H new ATOM 0 HE1 MET A 62 -4.705 7.109 1.141 1.00 0.00 H new ATOM 0 HE2 MET A 62 -3.103 7.197 1.912 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.099 8.664 1.759 1.00 0.00 H new ATOM 928 N PRO A 63 -0.654 11.246 1.392 1.00 0.00 N ATOM 929 CA PRO A 63 -0.623 12.413 2.257 1.00 0.00 C ATOM 930 C PRO A 63 -0.826 12.017 3.721 1.00 0.00 C ATOM 931 O PRO A 63 -1.643 11.148 4.025 1.00 0.00 O ATOM 932 CB PRO A 63 -1.720 13.323 1.730 1.00 0.00 C ATOM 933 CG PRO A 63 -2.628 12.438 0.890 1.00 0.00 C ATOM 934 CD PRO A 63 -1.896 11.130 0.635 1.00 0.00 C ATOM 0 HA PRO A 63 0.340 12.922 2.241 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.272 13.784 2.549 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.302 14.133 1.132 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.569 12.254 1.409 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.874 12.928 -0.052 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.485 10.275 0.969 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -1.700 10.987 -0.428 1.00 0.00 H new ATOM 942 N SER A 64 -0.070 12.673 4.589 1.00 0.00 N ATOM 943 CA SER A 64 -0.157 12.400 6.013 1.00 0.00 C ATOM 944 C SER A 64 -0.419 13.698 6.780 1.00 0.00 C ATOM 945 O SER A 64 0.513 14.435 7.097 1.00 0.00 O ATOM 946 CB SER A 64 1.119 11.729 6.525 1.00 0.00 C ATOM 947 OG SER A 64 1.140 11.636 7.947 1.00 0.00 O ATOM 0 H SER A 64 0.606 13.393 4.333 1.00 0.00 H new ATOM 0 HA SER A 64 -0.987 11.714 6.179 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.201 10.731 6.095 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.987 12.294 6.186 1.00 0.00 H new ATOM 0 HG SER A 64 1.970 11.201 8.234 1.00 0.00 H new ATOM 953 N SER A 65 -1.693 13.938 7.055 1.00 0.00 N ATOM 954 CA SER A 65 -2.089 15.134 7.779 1.00 0.00 C ATOM 955 C SER A 65 -3.609 15.160 7.955 1.00 0.00 C ATOM 956 O SER A 65 -4.109 15.593 8.992 1.00 0.00 O ATOM 957 CB SER A 65 -1.617 16.397 7.055 1.00 0.00 C ATOM 958 OG SER A 65 -1.060 17.351 7.954 1.00 0.00 O ATOM 0 H SER A 65 -2.464 13.325 6.790 1.00 0.00 H new ATOM 0 HA SER A 65 -1.616 15.112 8.761 1.00 0.00 H new ATOM 0 HB2 SER A 65 -0.873 16.128 6.305 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.457 16.846 6.525 1.00 0.00 H new ATOM 0 HG SER A 65 -0.769 18.142 7.453 1.00 0.00 H new ATOM 964 N GLU A 66 -4.300 14.690 6.927 1.00 0.00 N ATOM 965 CA GLU A 66 -5.752 14.654 6.955 1.00 0.00 C ATOM 966 C GLU A 66 -6.311 16.041 7.276 1.00 0.00 C ATOM 967 O GLU A 66 -6.672 16.320 8.419 1.00 0.00 O ATOM 968 CB GLU A 66 -6.255 13.614 7.959 1.00 0.00 C ATOM 969 CG GLU A 66 -7.152 12.581 7.275 1.00 0.00 C ATOM 970 CD GLU A 66 -8.628 12.959 7.411 1.00 0.00 C ATOM 971 OE1 GLU A 66 -9.179 12.709 8.505 1.00 0.00 O ATOM 972 OE2 GLU A 66 -9.172 13.490 6.419 1.00 0.00 O ATOM 0 H GLU A 66 -3.881 14.331 6.069 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.108 14.360 5.968 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.406 13.113 8.425 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.808 14.111 8.756 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.888 12.507 6.220 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.983 11.599 7.716 1.00 0.00 H new ATOM 979 N ASN A 67 -6.366 16.875 6.248 1.00 0.00 N ATOM 980 CA ASN A 67 -6.876 18.226 6.406 1.00 0.00 C ATOM 981 C ASN A 67 -6.361 18.810 7.723 1.00 0.00 C ATOM 982 O ASN A 67 -7.006 18.674 8.761 1.00 0.00 O ATOM 983 CB ASN A 67 -8.405 18.237 6.450 1.00 0.00 C ATOM 984 CG ASN A 67 -8.933 17.165 7.406 1.00 0.00 C ATOM 985 OD1 ASN A 67 -8.908 15.978 7.124 1.00 0.00 O ATOM 986 ND2 ASN A 67 -9.412 17.648 8.549 1.00 0.00 N ATOM 0 H ASN A 67 -6.065 16.641 5.302 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.536 18.816 5.555 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.756 19.218 6.768 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.803 18.065 5.450 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.788 17.013 9.253 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.403 18.653 8.721 1.00 0.00 H new ATOM 993 N GLU A 68 -5.202 19.448 7.637 1.00 0.00 N ATOM 994 CA GLU A 68 -4.593 20.053 8.809 1.00 0.00 C ATOM 995 C GLU A 68 -3.559 21.099 8.390 1.00 0.00 C ATOM 996 O GLU A 68 -2.476 20.753 7.920 1.00 0.00 O ATOM 997 CB GLU A 68 -3.962 18.989 9.710 1.00 0.00 C ATOM 998 CG GLU A 68 -4.869 18.672 10.902 1.00 0.00 C ATOM 999 CD GLU A 68 -4.293 19.247 12.197 1.00 0.00 C ATOM 1000 OE1 GLU A 68 -3.767 20.379 12.131 1.00 0.00 O ATOM 1001 OE2 GLU A 68 -4.392 18.542 13.224 1.00 0.00 O ATOM 0 H GLU A 68 -4.669 19.559 6.774 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.374 20.552 9.383 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.781 18.081 9.135 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.994 19.338 10.068 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.863 19.084 10.727 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.984 17.592 10.999 1.00 0.00 H new ATOM 1008 N LYS A 69 -3.929 22.358 8.574 1.00 0.00 N ATOM 1009 CA LYS A 69 -3.047 23.457 8.221 1.00 0.00 C ATOM 1010 C LYS A 69 -2.334 23.958 9.478 1.00 0.00 C ATOM 1011 O LYS A 69 -2.981 24.327 10.457 1.00 0.00 O ATOM 1012 CB LYS A 69 -3.821 24.547 7.477 1.00 0.00 C ATOM 1013 CG LYS A 69 -2.871 25.456 6.693 1.00 0.00 C ATOM 1014 CD LYS A 69 -3.031 25.245 5.186 1.00 0.00 C ATOM 1015 CE LYS A 69 -2.903 26.570 4.431 1.00 0.00 C ATOM 1016 NZ LYS A 69 -4.061 27.445 4.720 1.00 0.00 N ATOM 0 H LYS A 69 -4.828 22.641 8.963 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.275 23.119 7.530 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.537 24.089 6.795 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.394 25.141 8.189 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.071 26.498 6.941 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.841 25.251 6.985 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.275 24.545 4.831 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.003 24.797 4.979 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.979 27.072 4.719 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.841 26.380 3.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.208 28.100 3.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.913 26.862 4.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.878 27.988 5.588 1.00 0.00 H new ATOM 1030 N ALA A 70 -1.011 23.956 9.410 1.00 0.00 N ATOM 1031 CA ALA A 70 -0.203 24.406 10.532 1.00 0.00 C ATOM 1032 C ALA A 70 -0.108 25.932 10.506 1.00 0.00 C ATOM 1033 O ALA A 70 0.101 26.527 9.449 1.00 0.00 O ATOM 1034 CB ALA A 70 1.170 23.735 10.473 1.00 0.00 C ATOM 0 H ALA A 70 -0.478 23.650 8.596 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.665 24.121 11.477 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.776 24.072 11.314 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.049 22.653 10.524 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.665 24.001 9.539 1.00 0.00 H new ATOM 1040 N VAL A 71 -0.267 26.523 11.681 1.00 0.00 N ATOM 1041 CA VAL A 71 -0.201 27.970 11.806 1.00 0.00 C ATOM 1042 C VAL A 71 1.227 28.382 12.168 1.00 0.00 C ATOM 1043 O VAL A 71 1.909 27.681 12.914 1.00 0.00 O ATOM 1044 CB VAL A 71 -1.238 28.454 12.821 1.00 0.00 C ATOM 1045 CG1 VAL A 71 -1.055 29.943 13.125 1.00 0.00 C ATOM 1046 CG2 VAL A 71 -2.660 28.166 12.334 1.00 0.00 C ATOM 0 H VAL A 71 -0.441 26.027 12.555 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.446 28.447 10.857 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.082 27.900 13.747 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.805 30.261 13.849 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.059 30.111 13.536 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.170 30.519 12.207 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.377 28.520 13.075 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.832 28.680 11.388 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.786 27.093 12.192 1.00 0.00 H new ATOM 1056 N SER A 72 1.638 29.517 11.621 1.00 0.00 N ATOM 1057 CA SER A 72 2.973 30.031 11.877 1.00 0.00 C ATOM 1058 C SER A 72 3.018 30.709 13.247 1.00 0.00 C ATOM 1059 O SER A 72 2.058 31.362 13.653 1.00 0.00 O ATOM 1060 CB SER A 72 3.404 31.011 10.784 1.00 0.00 C ATOM 1061 OG SER A 72 3.525 30.375 9.515 1.00 0.00 O ATOM 0 H SER A 72 1.070 30.095 11.002 1.00 0.00 H new ATOM 0 HA SER A 72 3.670 29.193 11.871 1.00 0.00 H new ATOM 0 HB2 SER A 72 2.678 31.821 10.716 1.00 0.00 H new ATOM 0 HB3 SER A 72 4.359 31.461 11.056 1.00 0.00 H new ATOM 0 HG SER A 72 3.800 31.034 8.844 1.00 0.00 H new ATOM 1067 N PRO A 73 4.174 30.527 13.941 1.00 0.00 N ATOM 1068 CA PRO A 73 4.358 31.114 15.257 1.00 0.00 C ATOM 1069 C PRO A 73 4.616 32.619 15.155 1.00 0.00 C ATOM 1070 O PRO A 73 4.758 33.155 14.057 1.00 0.00 O ATOM 1071 CB PRO A 73 5.522 30.352 15.869 1.00 0.00 C ATOM 1072 CG PRO A 73 6.243 29.689 14.706 1.00 0.00 C ATOM 1073 CD PRO A 73 5.332 29.760 13.492 1.00 0.00 C ATOM 0 HA PRO A 73 3.470 31.028 15.883 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.188 31.024 16.409 1.00 0.00 H new ATOM 0 HB3 PRO A 73 5.170 29.609 16.585 1.00 0.00 H new ATOM 0 HG2 PRO A 73 7.188 30.194 14.505 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.481 28.652 14.945 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.828 30.247 12.653 1.00 0.00 H new ATOM 0 HD3 PRO A 73 5.041 28.764 13.156 1.00 0.00 H new ATOM 1081 N LYS A 74 4.669 33.258 16.314 1.00 0.00 N ATOM 1082 CA LYS A 74 4.907 34.690 16.369 1.00 0.00 C ATOM 1083 C LYS A 74 6.215 34.957 17.118 1.00 0.00 C ATOM 1084 O LYS A 74 6.793 34.046 17.708 1.00 0.00 O ATOM 1085 CB LYS A 74 3.698 35.412 16.967 1.00 0.00 C ATOM 1086 CG LYS A 74 2.786 35.959 15.867 1.00 0.00 C ATOM 1087 CD LYS A 74 1.547 35.079 15.694 1.00 0.00 C ATOM 1088 CE LYS A 74 0.392 35.582 16.563 1.00 0.00 C ATOM 1089 NZ LYS A 74 -0.682 36.151 15.718 1.00 0.00 N ATOM 0 H LYS A 74 4.551 32.810 17.223 1.00 0.00 H new ATOM 0 HA LYS A 74 5.026 35.095 15.364 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.137 34.725 17.601 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.036 36.230 17.604 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.482 36.976 16.114 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.335 36.010 14.927 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.244 35.074 14.647 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.787 34.050 15.962 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.004 34.762 17.162 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.755 36.339 17.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.458 36.488 16.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.304 36.947 15.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.040 35.419 15.072 1.00 0.00 H new ATOM 1103 N LYS A 75 6.642 36.210 17.069 1.00 0.00 N ATOM 1104 CA LYS A 75 7.871 36.608 17.736 1.00 0.00 C ATOM 1105 C LYS A 75 7.938 35.942 19.111 1.00 0.00 C ATOM 1106 O LYS A 75 7.061 36.148 19.949 1.00 0.00 O ATOM 1107 CB LYS A 75 7.984 38.133 17.784 1.00 0.00 C ATOM 1108 CG LYS A 75 6.989 38.725 18.785 1.00 0.00 C ATOM 1109 CD LYS A 75 7.673 39.036 20.118 1.00 0.00 C ATOM 1110 CE LYS A 75 7.099 40.309 20.744 1.00 0.00 C ATOM 1111 NZ LYS A 75 6.948 40.144 22.208 1.00 0.00 N ATOM 0 H LYS A 75 6.160 36.963 16.578 1.00 0.00 H new ATOM 0 HA LYS A 75 8.739 36.265 17.173 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.999 38.418 18.063 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.798 38.546 16.793 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.553 39.636 18.375 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.170 38.024 18.947 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.541 38.198 20.803 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.745 39.155 19.962 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.756 41.153 20.533 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.132 40.538 20.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.557 41.017 22.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.304 39.351 22.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.877 39.948 22.633 1.00 0.00 H new ATOM 1125 N ALA A 76 8.988 35.156 19.302 1.00 0.00 N ATOM 1126 CA ALA A 76 9.182 34.459 20.562 1.00 0.00 C ATOM 1127 C ALA A 76 10.681 34.308 20.832 1.00 0.00 C ATOM 1128 O ALA A 76 11.505 34.664 19.991 1.00 0.00 O ATOM 1129 CB ALA A 76 8.460 33.111 20.515 1.00 0.00 C ATOM 0 H ALA A 76 9.713 34.987 18.605 1.00 0.00 H new ATOM 0 HA ALA A 76 8.755 35.030 21.386 1.00 0.00 H new ATOM 0 HB1 ALA A 76 8.605 32.587 21.460 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.395 33.274 20.350 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.865 32.510 19.701 1.00 0.00 H new ATOM 1135 N LEU A 77 10.988 33.781 22.008 1.00 0.00 N ATOM 1136 CA LEU A 77 12.373 33.579 22.398 1.00 0.00 C ATOM 1137 C LEU A 77 12.794 32.151 22.048 1.00 0.00 C ATOM 1138 O LEU A 77 11.964 31.243 22.023 1.00 0.00 O ATOM 1139 CB LEU A 77 12.570 33.934 23.874 1.00 0.00 C ATOM 1140 CG LEU A 77 13.988 33.760 24.421 1.00 0.00 C ATOM 1141 CD1 LEU A 77 14.296 34.810 25.490 1.00 0.00 C ATOM 1142 CD2 LEU A 77 14.205 32.336 24.938 1.00 0.00 C ATOM 0 H LEU A 77 10.302 33.488 22.703 1.00 0.00 H new ATOM 0 HA LEU A 77 13.028 34.250 21.842 1.00 0.00 H new ATOM 0 HB2 LEU A 77 12.270 34.971 24.021 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.894 33.319 24.469 1.00 0.00 H new ATOM 0 HG LEU A 77 14.691 33.917 23.603 1.00 0.00 H new ATOM 0 HD11 LEU A 77 15.310 34.664 25.862 1.00 0.00 H new ATOM 0 HD12 LEU A 77 14.209 35.807 25.057 1.00 0.00 H new ATOM 0 HD13 LEU A 77 13.589 34.709 26.314 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.221 32.239 25.321 1.00 0.00 H new ATOM 0 HD22 LEU A 77 13.494 32.127 25.737 1.00 0.00 H new ATOM 0 HD23 LEU A 77 14.055 31.627 24.124 1.00 0.00 H new ATOM 1154 N LEU A 78 14.083 31.996 21.785 1.00 0.00 N ATOM 1155 CA LEU A 78 14.625 30.694 21.437 1.00 0.00 C ATOM 1156 C LEU A 78 15.978 30.508 22.127 1.00 0.00 C ATOM 1157 O LEU A 78 16.659 31.483 22.440 1.00 0.00 O ATOM 1158 CB LEU A 78 14.681 30.525 19.917 1.00 0.00 C ATOM 1159 CG LEU A 78 13.332 30.414 19.205 1.00 0.00 C ATOM 1160 CD1 LEU A 78 13.248 31.396 18.034 1.00 0.00 C ATOM 1161 CD2 LEU A 78 13.061 28.974 18.765 1.00 0.00 C ATOM 0 H LEU A 78 14.768 32.751 21.806 1.00 0.00 H new ATOM 0 HA LEU A 78 13.971 29.901 21.799 1.00 0.00 H new ATOM 0 HB2 LEU A 78 15.223 31.372 19.497 1.00 0.00 H new ATOM 0 HB3 LEU A 78 15.263 29.631 19.692 1.00 0.00 H new ATOM 0 HG LEU A 78 12.549 30.688 19.912 1.00 0.00 H new ATOM 0 HD11 LEU A 78 12.279 31.297 17.545 1.00 0.00 H new ATOM 0 HD12 LEU A 78 13.365 32.415 18.404 1.00 0.00 H new ATOM 0 HD13 LEU A 78 14.040 31.177 17.318 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.096 28.923 18.261 1.00 0.00 H new ATOM 0 HD22 LEU A 78 13.845 28.649 18.081 1.00 0.00 H new ATOM 0 HD23 LEU A 78 13.049 28.323 19.639 1.00 0.00 H new ATOM 1173 N PRO A 79 16.337 29.215 22.349 1.00 0.00 N ATOM 1174 CA PRO A 79 17.597 28.889 22.996 1.00 0.00 C ATOM 1175 C PRO A 79 18.773 29.087 22.037 1.00 0.00 C ATOM 1176 O PRO A 79 18.583 29.170 20.825 1.00 0.00 O ATOM 1177 CB PRO A 79 17.441 27.448 23.456 1.00 0.00 C ATOM 1178 CG PRO A 79 16.290 26.875 22.647 1.00 0.00 C ATOM 1179 CD PRO A 79 15.557 28.034 21.992 1.00 0.00 C ATOM 0 HA PRO A 79 17.818 29.541 23.841 1.00 0.00 H new ATOM 0 HB2 PRO A 79 18.357 26.882 23.286 1.00 0.00 H new ATOM 0 HB3 PRO A 79 17.230 27.400 24.524 1.00 0.00 H new ATOM 0 HG2 PRO A 79 16.662 26.183 21.891 1.00 0.00 H new ATOM 0 HG3 PRO A 79 15.615 26.311 23.291 1.00 0.00 H new ATOM 0 HD2 PRO A 79 15.502 27.908 20.911 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.533 28.111 22.356 1.00 0.00 H new ATOM 1187 N PRO A 80 19.993 29.159 22.633 1.00 0.00 N ATOM 1188 CA PRO A 80 21.200 29.346 21.845 1.00 0.00 C ATOM 1189 C PRO A 80 21.590 28.054 21.124 1.00 0.00 C ATOM 1190 O PRO A 80 20.959 27.016 21.318 1.00 0.00 O ATOM 1191 CB PRO A 80 22.251 29.811 22.840 1.00 0.00 C ATOM 1192 CG PRO A 80 21.726 29.423 24.213 1.00 0.00 C ATOM 1193 CD PRO A 80 20.256 29.065 24.066 1.00 0.00 C ATOM 0 HA PRO A 80 21.073 30.079 21.048 1.00 0.00 H new ATOM 0 HB2 PRO A 80 23.213 29.338 22.642 1.00 0.00 H new ATOM 0 HB3 PRO A 80 22.405 30.888 22.771 1.00 0.00 H new ATOM 0 HG2 PRO A 80 22.287 28.577 24.611 1.00 0.00 H new ATOM 0 HG3 PRO A 80 21.850 30.247 24.916 1.00 0.00 H new ATOM 0 HD2 PRO A 80 20.053 28.062 24.441 1.00 0.00 H new ATOM 0 HD3 PRO A 80 19.623 29.750 24.630 1.00 0.00 H new ATOM 1201 N THR A 81 22.627 28.160 20.307 1.00 0.00 N ATOM 1202 CA THR A 81 23.109 27.013 19.556 1.00 0.00 C ATOM 1203 C THR A 81 24.608 26.814 19.788 1.00 0.00 C ATOM 1204 O THR A 81 25.243 27.608 20.481 1.00 0.00 O ATOM 1205 CB THR A 81 22.744 27.224 18.085 1.00 0.00 C ATOM 1206 OG1 THR A 81 23.284 28.506 17.774 1.00 0.00 O ATOM 1207 CG2 THR A 81 21.238 27.392 17.873 1.00 0.00 C ATOM 0 H THR A 81 23.147 29.023 20.148 1.00 0.00 H new ATOM 0 HA THR A 81 22.635 26.091 19.895 1.00 0.00 H new ATOM 0 HB THR A 81 23.100 26.378 17.498 1.00 0.00 H new ATOM 0 HG1 THR A 81 23.094 28.722 16.837 1.00 0.00 H new ATOM 0 HG21 THR A 81 21.034 27.539 16.812 1.00 0.00 H new ATOM 0 HG22 THR A 81 20.720 26.499 18.222 1.00 0.00 H new ATOM 0 HG23 THR A 81 20.886 28.258 18.433 1.00 0.00 H new ATOM 1215 N VAL A 82 25.130 25.750 19.195 1.00 0.00 N ATOM 1216 CA VAL A 82 26.543 25.437 19.329 1.00 0.00 C ATOM 1217 C VAL A 82 27.093 24.997 17.971 1.00 0.00 C ATOM 1218 O VAL A 82 26.346 24.888 17.000 1.00 0.00 O ATOM 1219 CB VAL A 82 26.745 24.389 20.425 1.00 0.00 C ATOM 1220 CG1 VAL A 82 26.290 24.923 21.785 1.00 0.00 C ATOM 1221 CG2 VAL A 82 26.022 23.086 20.078 1.00 0.00 C ATOM 0 H VAL A 82 24.600 25.094 18.621 1.00 0.00 H new ATOM 0 HA VAL A 82 27.103 26.320 19.636 1.00 0.00 H new ATOM 0 HB VAL A 82 27.812 24.173 20.489 1.00 0.00 H new ATOM 0 HG11 VAL A 82 26.444 24.158 22.546 1.00 0.00 H new ATOM 0 HG12 VAL A 82 26.869 25.811 22.040 1.00 0.00 H new ATOM 0 HG13 VAL A 82 25.232 25.181 21.739 1.00 0.00 H new ATOM 0 HG21 VAL A 82 26.182 22.358 20.874 1.00 0.00 H new ATOM 0 HG22 VAL A 82 24.955 23.279 19.972 1.00 0.00 H new ATOM 0 HG23 VAL A 82 26.414 22.691 19.141 1.00 0.00 H new ATOM 1231 N SER A 83 28.396 24.756 17.947 1.00 0.00 N ATOM 1232 CA SER A 83 29.056 24.329 16.724 1.00 0.00 C ATOM 1233 C SER A 83 29.999 23.161 17.019 1.00 0.00 C ATOM 1234 O SER A 83 30.256 22.844 18.179 1.00 0.00 O ATOM 1235 CB SER A 83 29.826 25.485 16.083 1.00 0.00 C ATOM 1236 OG SER A 83 28.955 26.502 15.596 1.00 0.00 O ATOM 0 H SER A 83 29.012 24.848 18.754 1.00 0.00 H new ATOM 0 HA SER A 83 28.292 24.001 16.019 1.00 0.00 H new ATOM 0 HB2 SER A 83 30.511 25.914 16.814 1.00 0.00 H new ATOM 0 HB3 SER A 83 30.434 25.105 15.262 1.00 0.00 H new ATOM 0 HG SER A 83 29.485 27.223 15.196 1.00 0.00 H new ATOM 1242 N LEU A 84 30.488 22.553 15.948 1.00 0.00 N ATOM 1243 CA LEU A 84 31.398 21.427 16.077 1.00 0.00 C ATOM 1244 C LEU A 84 32.698 21.740 15.334 1.00 0.00 C ATOM 1245 O LEU A 84 32.706 22.537 14.397 1.00 0.00 O ATOM 1246 CB LEU A 84 30.720 20.136 15.613 1.00 0.00 C ATOM 1247 CG LEU A 84 31.656 18.986 15.236 1.00 0.00 C ATOM 1248 CD1 LEU A 84 30.927 17.643 15.298 1.00 0.00 C ATOM 1249 CD2 LEU A 84 32.297 19.227 13.868 1.00 0.00 C ATOM 0 H LEU A 84 30.271 22.819 14.987 1.00 0.00 H new ATOM 0 HA LEU A 84 31.659 21.265 17.123 1.00 0.00 H new ATOM 0 HB2 LEU A 84 30.056 19.793 16.406 1.00 0.00 H new ATOM 0 HB3 LEU A 84 30.095 20.367 14.751 1.00 0.00 H new ATOM 0 HG LEU A 84 32.463 18.949 15.968 1.00 0.00 H new ATOM 0 HD11 LEU A 84 31.615 16.843 15.026 1.00 0.00 H new ATOM 0 HD12 LEU A 84 30.558 17.476 16.310 1.00 0.00 H new ATOM 0 HD13 LEU A 84 30.088 17.652 14.603 1.00 0.00 H new ATOM 0 HD21 LEU A 84 32.958 18.395 13.624 1.00 0.00 H new ATOM 0 HD22 LEU A 84 31.518 19.306 13.110 1.00 0.00 H new ATOM 0 HD23 LEU A 84 32.873 20.152 13.894 1.00 0.00 H new ATOM 1261 N SER A 85 33.767 21.097 15.781 1.00 0.00 N ATOM 1262 CA SER A 85 35.070 21.296 15.171 1.00 0.00 C ATOM 1263 C SER A 85 36.109 20.401 15.850 1.00 0.00 C ATOM 1264 O SER A 85 35.973 20.069 17.027 1.00 0.00 O ATOM 1265 CB SER A 85 35.498 22.763 15.254 1.00 0.00 C ATOM 1266 OG SER A 85 35.652 23.199 16.602 1.00 0.00 O ATOM 0 H SER A 85 33.757 20.437 16.559 1.00 0.00 H new ATOM 0 HA SER A 85 34.999 21.024 14.118 1.00 0.00 H new ATOM 0 HB2 SER A 85 36.439 22.897 14.720 1.00 0.00 H new ATOM 0 HB3 SER A 85 34.756 23.386 14.754 1.00 0.00 H new ATOM 0 HG SER A 85 35.927 24.139 16.612 1.00 0.00 H new ATOM 1272 N ALA A 86 37.122 20.035 15.079 1.00 0.00 N ATOM 1273 CA ALA A 86 38.183 19.185 15.592 1.00 0.00 C ATOM 1274 C ALA A 86 39.258 19.014 14.516 1.00 0.00 C ATOM 1275 O ALA A 86 38.985 19.180 13.329 1.00 0.00 O ATOM 1276 CB ALA A 86 37.592 17.848 16.043 1.00 0.00 C ATOM 0 H ALA A 86 37.231 20.311 14.103 1.00 0.00 H new ATOM 0 HA ALA A 86 38.656 19.642 16.461 1.00 0.00 H new ATOM 0 HB1 ALA A 86 38.387 17.210 16.428 1.00 0.00 H new ATOM 0 HB2 ALA A 86 36.855 18.022 16.827 1.00 0.00 H new ATOM 0 HB3 ALA A 86 37.112 17.358 15.196 1.00 0.00 H new ATOM 1282 N THR A 87 40.458 18.683 14.971 1.00 0.00 N ATOM 1283 CA THR A 87 41.575 18.488 14.063 1.00 0.00 C ATOM 1284 C THR A 87 42.789 17.947 14.820 1.00 0.00 C ATOM 1285 O THR A 87 42.930 18.177 16.020 1.00 0.00 O ATOM 1286 CB THR A 87 41.844 19.816 13.352 1.00 0.00 C ATOM 1287 OG1 THR A 87 42.890 19.512 12.434 1.00 0.00 O ATOM 1288 CG2 THR A 87 42.458 20.864 14.283 1.00 0.00 C ATOM 0 H THR A 87 40.681 18.545 15.957 1.00 0.00 H new ATOM 0 HA THR A 87 41.343 17.739 13.306 1.00 0.00 H new ATOM 0 HB THR A 87 40.913 20.201 12.936 1.00 0.00 H new ATOM 0 HG1 THR A 87 43.126 20.318 11.929 1.00 0.00 H new ATOM 0 HG21 THR A 87 42.629 21.787 13.729 1.00 0.00 H new ATOM 0 HG22 THR A 87 41.777 21.059 15.111 1.00 0.00 H new ATOM 0 HG23 THR A 87 43.406 20.494 14.673 1.00 0.00 H new ATOM 1296 N SER A 88 43.635 17.237 14.088 1.00 0.00 N ATOM 1297 CA SER A 88 44.833 16.662 14.675 1.00 0.00 C ATOM 1298 C SER A 88 45.598 15.858 13.621 1.00 0.00 C ATOM 1299 O SER A 88 45.081 15.602 12.535 1.00 0.00 O ATOM 1300 CB SER A 88 44.487 15.774 15.872 1.00 0.00 C ATOM 1301 OG SER A 88 45.430 15.914 16.931 1.00 0.00 O ATOM 0 H SER A 88 43.514 17.047 13.093 1.00 0.00 H new ATOM 0 HA SER A 88 45.465 17.476 15.031 1.00 0.00 H new ATOM 0 HB2 SER A 88 43.492 16.029 16.237 1.00 0.00 H new ATOM 0 HB3 SER A 88 44.452 14.732 15.553 1.00 0.00 H new ATOM 0 HG SER A 88 45.173 15.332 17.677 1.00 0.00 H new ATOM 1307 N GLY A 89 46.817 15.483 13.980 1.00 0.00 N ATOM 1308 CA GLY A 89 47.658 14.714 13.079 1.00 0.00 C ATOM 1309 C GLY A 89 48.543 13.736 13.855 1.00 0.00 C ATOM 1310 O GLY A 89 49.256 14.135 14.775 1.00 0.00 O ATOM 0 H GLY A 89 47.242 15.697 14.882 1.00 0.00 H new ATOM 0 HA2 GLY A 89 47.034 14.165 12.374 1.00 0.00 H new ATOM 0 HA3 GLY A 89 48.282 15.389 12.494 1.00 0.00 H new ATOM 1314 N PRO A 90 48.467 12.442 13.445 1.00 0.00 N ATOM 1315 CA PRO A 90 49.252 11.404 14.092 1.00 0.00 C ATOM 1316 C PRO A 90 50.721 11.487 13.672 1.00 0.00 C ATOM 1317 O PRO A 90 51.100 12.359 12.892 1.00 0.00 O ATOM 1318 CB PRO A 90 48.590 10.098 13.684 1.00 0.00 C ATOM 1319 CG PRO A 90 47.750 10.421 12.459 1.00 0.00 C ATOM 1320 CD PRO A 90 47.634 11.933 12.359 1.00 0.00 C ATOM 0 HA PRO A 90 49.269 11.504 15.177 1.00 0.00 H new ATOM 0 HB2 PRO A 90 49.336 9.337 13.456 1.00 0.00 H new ATOM 0 HB3 PRO A 90 47.970 9.706 14.490 1.00 0.00 H new ATOM 0 HG2 PRO A 90 48.213 10.013 11.560 1.00 0.00 H new ATOM 0 HG3 PRO A 90 46.763 9.967 12.543 1.00 0.00 H new ATOM 0 HD2 PRO A 90 47.982 12.294 11.391 1.00 0.00 H new ATOM 0 HD3 PRO A 90 46.599 12.259 12.468 1.00 0.00 H new ATOM 1328 N SER A 91 51.509 10.566 14.209 1.00 0.00 N ATOM 1329 CA SER A 91 52.928 10.524 13.900 1.00 0.00 C ATOM 1330 C SER A 91 53.603 9.402 14.691 1.00 0.00 C ATOM 1331 O SER A 91 53.345 9.235 15.882 1.00 0.00 O ATOM 1332 CB SER A 91 53.599 11.865 14.204 1.00 0.00 C ATOM 1333 OG SER A 91 54.463 12.281 13.151 1.00 0.00 O ATOM 0 H SER A 91 51.191 9.844 14.856 1.00 0.00 H new ATOM 0 HA SER A 91 53.039 10.327 12.834 1.00 0.00 H new ATOM 0 HB2 SER A 91 52.834 12.624 14.366 1.00 0.00 H new ATOM 0 HB3 SER A 91 54.169 11.783 15.130 1.00 0.00 H new ATOM 0 HG SER A 91 54.870 13.142 13.383 1.00 0.00 H new ATOM 1339 N SER A 92 54.454 8.661 13.997 1.00 0.00 N ATOM 1340 CA SER A 92 55.168 7.559 14.620 1.00 0.00 C ATOM 1341 C SER A 92 56.330 7.117 13.728 1.00 0.00 C ATOM 1342 O SER A 92 56.441 7.556 12.584 1.00 0.00 O ATOM 1343 CB SER A 92 54.231 6.380 14.893 1.00 0.00 C ATOM 1344 OG SER A 92 54.341 5.910 16.233 1.00 0.00 O ATOM 0 H SER A 92 54.665 8.802 13.009 1.00 0.00 H new ATOM 0 HA SER A 92 55.563 7.904 15.576 1.00 0.00 H new ATOM 0 HB2 SER A 92 53.202 6.682 14.698 1.00 0.00 H new ATOM 0 HB3 SER A 92 54.461 5.567 14.204 1.00 0.00 H new ATOM 0 HG SER A 92 53.726 5.159 16.368 1.00 0.00 H new ATOM 1350 N GLY A 93 57.167 6.254 14.285 1.00 0.00 N ATOM 1351 CA GLY A 93 58.317 5.749 13.555 1.00 0.00 C ATOM 1352 C GLY A 93 58.565 4.274 13.876 1.00 0.00 C ATOM 1353 O GLY A 93 57.748 3.632 14.535 1.00 0.00 O ATOM 0 H GLY A 93 57.071 5.892 15.234 1.00 0.00 H new ATOM 0 HA2 GLY A 93 58.154 5.869 12.484 1.00 0.00 H new ATOM 0 HA3 GLY A 93 59.200 6.334 13.811 1.00 0.00 H new TER 1357 GLY A 93