USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 974 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 46 ASN : amide:sc= 0.123 K(o=0.13,f=-6.9!) USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 49 SER OG : rot 180:sc= 0.00273 USER MOD Set 2.1: A 31 SER OG : rot 64:sc= 0.285 USER MOD Set 2.2: B 31 SER OG : rot -149:sc= 0.307 USER MOD Set 3.1: A 21 CYS SG : rot -44:sc= -5.4! USER MOD Set 3.2: B 21 CYS SG : rot -38:sc= -5.47! USER MOD Single : A 1 MET CE :methyl -166:sc= 0 (180deg=-0.275) USER MOD Single : A 1 MET N :NH3+ -175:sc= -0.0148 (180deg=-0.027) USER MOD Single : A 5 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.71) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 48:sc= 0.148 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -10.2! C(o=-10!,f=-30!) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.356 F(o=-1.5!,f=-0.36) USER MOD Single : A 32 GLN : amide:sc= -0.44 X(o=-0.44,f=-0.03) USER MOD Single : A 37 TYR OH : rot -119:sc= -1.58! USER MOD Single : A 38 CYS SG : rot 6:sc= -13.3! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.767 K(o=-0.77,f=-1.4) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.24 F(o=-0.75,f=-0.24) USER MOD Single : A 53 THR OG1 : rot -100:sc= -0.174 USER MOD Single : A 56 ASN :FLIP amide:sc= -2.94! C(o=-3.7!,f=-2.9!) USER MOD Single : A 58 ASN : amide:sc= -0.0477 K(o=-0.048,f=-0.87) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0492) USER MOD Single : B 5 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : B 6 TYR OH : rot 180:sc= 0 USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 THR OG1 : rot 39:sc= 0.233 USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 23 ASN : amide:sc= -10.3! C(o=-10!,f=-31!) USER MOD Single : B 27 GLN :FLIP amide:sc= -0.211 F(o=-1.3!,f=-0.21) USER MOD Single : B 32 GLN : amide:sc= -0.43 X(o=-0.43,f=-0.032) USER MOD Single : B 37 TYR OH : rot -113:sc= -1.55! USER MOD Single : B 38 CYS SG : rot 5:sc= -13.8! USER MOD Single : B 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 ASN : amide:sc= -1.39! C(o=-1.4!,f=-4.1!) USER MOD Single : B 48 THR OG1 : rot -59:sc= 0.133 USER MOD Single : B 49 SER OG : rot -137:sc= 0.244! USER MOD Single : B 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 52 GLN : amide:sc= 0.00139 K(o=0.0014,f=-1.6) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0.00329 USER MOD Single : B 56 ASN :FLIP amide:sc= -1.99 F(o=-4.1!,f=-2) USER MOD Single : B 58 ASN : amide:sc= -0.591! C(o=-0.59!,f=-8.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.618 6.750 -27.275 1.00 0.00 N ATOM 2 CA MET A 1 -8.032 7.224 -25.988 1.00 0.00 C ATOM 3 C MET A 1 -8.956 6.864 -24.821 1.00 0.00 C ATOM 4 O MET A 1 -9.245 7.682 -23.970 1.00 0.00 O ATOM 5 CB MET A 1 -7.920 8.742 -26.139 1.00 0.00 C ATOM 6 CG MET A 1 -6.740 9.084 -27.053 1.00 0.00 C ATOM 7 SD MET A 1 -5.958 10.611 -26.480 1.00 0.00 S ATOM 8 CE MET A 1 -7.349 11.718 -26.821 1.00 0.00 C ATOM 0 H1 MET A 1 -7.944 6.924 -28.048 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.817 5.731 -27.212 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.502 7.264 -27.464 1.00 0.00 H new ATOM 0 HA MET A 1 -7.066 6.764 -25.779 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.843 9.145 -26.555 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.782 9.205 -25.162 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.016 8.269 -27.051 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.084 9.202 -28.080 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.010 12.753 -26.777 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.746 11.508 -27.814 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.130 11.560 -26.078 1.00 0.00 H new ATOM 20 N GLY A 2 -9.421 5.644 -24.775 1.00 0.00 N ATOM 21 CA GLY A 2 -10.327 5.231 -23.666 1.00 0.00 C ATOM 22 C GLY A 2 -11.604 4.625 -24.250 1.00 0.00 C ATOM 23 O GLY A 2 -12.117 5.097 -25.245 1.00 0.00 O ATOM 0 H GLY A 2 -9.212 4.916 -25.458 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -9.827 4.505 -23.025 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -10.572 6.091 -23.043 1.00 0.00 H new ATOM 27 N PRO A 3 -12.075 3.591 -23.608 1.00 0.00 N ATOM 28 CA PRO A 3 -13.307 2.903 -24.066 1.00 0.00 C ATOM 29 C PRO A 3 -14.530 3.751 -23.720 1.00 0.00 C ATOM 30 O PRO A 3 -15.456 3.883 -24.496 1.00 0.00 O ATOM 31 CB PRO A 3 -13.320 1.614 -23.252 1.00 0.00 C ATOM 32 CG PRO A 3 -12.538 1.935 -22.019 1.00 0.00 C ATOM 33 CD PRO A 3 -11.512 2.969 -22.404 1.00 0.00 C ATOM 0 HA PRO A 3 -13.329 2.729 -25.142 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -14.338 1.311 -23.007 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.867 0.792 -23.805 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.193 2.315 -21.235 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.055 1.041 -21.625 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.363 3.700 -21.609 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.542 2.514 -22.605 1.00 0.00 H new ATOM 41 N LEU A 4 -14.534 4.314 -22.546 1.00 0.00 N ATOM 42 CA LEU A 4 -15.686 5.147 -22.110 1.00 0.00 C ATOM 43 C LEU A 4 -15.206 6.223 -21.135 1.00 0.00 C ATOM 44 O LEU A 4 -14.023 6.395 -20.922 1.00 0.00 O ATOM 45 CB LEU A 4 -16.612 4.163 -21.396 1.00 0.00 C ATOM 46 CG LEU A 4 -18.059 4.420 -21.822 1.00 0.00 C ATOM 47 CD1 LEU A 4 -18.299 3.810 -23.203 1.00 0.00 C ATOM 48 CD2 LEU A 4 -19.011 3.779 -20.810 1.00 0.00 C ATOM 0 H LEU A 4 -13.781 4.232 -21.863 1.00 0.00 H new ATOM 0 HA LEU A 4 -16.178 5.657 -22.938 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -16.327 3.139 -21.638 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -16.515 4.274 -20.316 1.00 0.00 H new ATOM 0 HG LEU A 4 -18.240 5.494 -21.862 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -19.330 3.993 -23.507 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -17.621 4.266 -23.925 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -18.117 2.736 -23.163 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -20.042 3.962 -21.114 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -18.830 2.705 -20.770 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -18.840 4.213 -19.825 1.00 0.00 H new ATOM 60 N GLN A 5 -16.112 6.939 -20.527 1.00 0.00 N ATOM 61 CA GLN A 5 -15.687 7.984 -19.555 1.00 0.00 C ATOM 62 C GLN A 5 -14.622 7.398 -18.625 1.00 0.00 C ATOM 63 O GLN A 5 -13.799 8.104 -18.077 1.00 0.00 O ATOM 64 CB GLN A 5 -16.951 8.340 -18.771 1.00 0.00 C ATOM 65 CG GLN A 5 -16.923 9.825 -18.404 1.00 0.00 C ATOM 66 CD GLN A 5 -17.600 10.025 -17.046 1.00 0.00 C ATOM 67 OE1 GLN A 5 -18.488 9.281 -16.683 1.00 0.00 O ATOM 68 NE2 GLN A 5 -17.215 11.006 -16.275 1.00 0.00 N ATOM 0 H GLN A 5 -17.119 6.847 -20.660 1.00 0.00 H new ATOM 0 HA GLN A 5 -15.258 8.862 -20.037 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -17.836 8.119 -19.367 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -17.015 7.733 -17.868 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -15.894 10.182 -18.366 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -17.435 10.410 -19.168 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -16.469 11.631 -16.580 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -17.660 11.147 -15.368 1.00 0.00 H new ATOM 77 N TYR A 6 -14.638 6.104 -18.452 1.00 0.00 N ATOM 78 CA TYR A 6 -13.634 5.445 -17.568 1.00 0.00 C ATOM 79 C TYR A 6 -13.504 6.207 -16.247 1.00 0.00 C ATOM 80 O TYR A 6 -12.616 7.019 -16.076 1.00 0.00 O ATOM 81 CB TYR A 6 -12.320 5.503 -18.345 1.00 0.00 C ATOM 82 CG TYR A 6 -11.382 4.440 -17.822 1.00 0.00 C ATOM 83 CD1 TYR A 6 -10.866 4.541 -16.524 1.00 0.00 C ATOM 84 CD2 TYR A 6 -11.030 3.355 -18.635 1.00 0.00 C ATOM 85 CE1 TYR A 6 -9.995 3.557 -16.040 1.00 0.00 C ATOM 86 CE2 TYR A 6 -10.160 2.372 -18.149 1.00 0.00 C ATOM 87 CZ TYR A 6 -9.643 2.472 -16.851 1.00 0.00 C ATOM 88 OH TYR A 6 -8.786 1.503 -16.372 1.00 0.00 O ATOM 0 H TYR A 6 -15.308 5.471 -18.888 1.00 0.00 H new ATOM 0 HA TYR A 6 -13.918 4.423 -17.319 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.506 5.349 -19.408 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -11.866 6.488 -18.240 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -11.139 5.377 -15.897 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -11.429 3.277 -19.635 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -9.595 3.635 -15.040 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -9.887 1.536 -18.775 1.00 0.00 H new ATOM 0 HH TYR A 6 -8.646 0.820 -17.061 1.00 0.00 H new ATOM 98 N LYS A 7 -14.377 5.954 -15.313 1.00 0.00 N ATOM 99 CA LYS A 7 -14.293 6.670 -14.009 1.00 0.00 C ATOM 100 C LYS A 7 -15.135 5.953 -12.950 1.00 0.00 C ATOM 101 O LYS A 7 -16.014 6.533 -12.345 1.00 0.00 O ATOM 102 CB LYS A 7 -14.857 8.063 -14.288 1.00 0.00 C ATOM 103 CG LYS A 7 -13.719 9.086 -14.287 1.00 0.00 C ATOM 104 CD LYS A 7 -13.935 10.090 -13.153 1.00 0.00 C ATOM 105 CE LYS A 7 -14.900 11.185 -13.615 1.00 0.00 C ATOM 106 NZ LYS A 7 -14.117 12.450 -13.531 1.00 0.00 N ATOM 0 H LYS A 7 -15.143 5.285 -15.395 1.00 0.00 H new ATOM 0 HA LYS A 7 -13.273 6.709 -13.626 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -15.368 8.073 -15.251 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -15.596 8.325 -13.531 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.762 8.580 -14.162 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.682 9.605 -15.245 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -14.337 9.583 -12.276 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -12.983 10.531 -12.858 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.247 11.002 -14.632 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -15.785 11.225 -12.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -14.712 13.248 -13.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.806 12.601 -12.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.285 12.385 -14.152 1.00 0.00 H new ATOM 120 N ASP A 8 -14.870 4.696 -12.721 1.00 0.00 N ATOM 121 CA ASP A 8 -15.653 3.943 -11.699 1.00 0.00 C ATOM 122 C ASP A 8 -14.705 3.340 -10.660 1.00 0.00 C ATOM 123 O ASP A 8 -14.536 2.140 -10.581 1.00 0.00 O ATOM 124 CB ASP A 8 -16.372 2.841 -12.477 1.00 0.00 C ATOM 125 CG ASP A 8 -17.530 3.449 -13.272 1.00 0.00 C ATOM 126 OD1 ASP A 8 -18.609 3.566 -12.715 1.00 0.00 O ATOM 127 OD2 ASP A 8 -17.318 3.786 -14.425 1.00 0.00 O ATOM 0 H ASP A 8 -14.146 4.158 -13.197 1.00 0.00 H new ATOM 0 HA ASP A 8 -16.356 4.579 -11.162 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -15.675 2.344 -13.152 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.747 2.082 -11.790 1.00 0.00 H new ATOM 132 N LEU A 9 -14.083 4.167 -9.865 1.00 0.00 N ATOM 133 CA LEU A 9 -13.144 3.646 -8.831 1.00 0.00 C ATOM 134 C LEU A 9 -12.662 4.790 -7.932 1.00 0.00 C ATOM 135 O LEU A 9 -13.408 5.696 -7.616 1.00 0.00 O ATOM 136 CB LEU A 9 -11.977 3.054 -9.622 1.00 0.00 C ATOM 137 CG LEU A 9 -11.298 4.157 -10.436 1.00 0.00 C ATOM 138 CD1 LEU A 9 -9.798 4.165 -10.137 1.00 0.00 C ATOM 139 CD2 LEU A 9 -11.516 3.893 -11.927 1.00 0.00 C ATOM 0 H LEU A 9 -14.184 5.182 -9.887 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.611 2.907 -8.180 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.259 2.595 -8.942 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.336 2.267 -10.285 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.727 5.123 -10.167 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.315 4.951 -10.718 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.640 4.349 -9.074 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.368 3.200 -10.406 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.033 4.677 -12.510 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.086 2.927 -12.192 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.584 3.886 -12.143 1.00 0.00 H new ATOM 151 N LYS A 10 -11.423 4.746 -7.510 1.00 0.00 N ATOM 152 CA LYS A 10 -10.878 5.816 -6.623 1.00 0.00 C ATOM 153 C LYS A 10 -11.436 5.645 -5.213 1.00 0.00 C ATOM 154 O LYS A 10 -12.031 4.639 -4.899 1.00 0.00 O ATOM 155 CB LYS A 10 -11.343 7.142 -7.232 1.00 0.00 C ATOM 156 CG LYS A 10 -10.160 8.109 -7.320 1.00 0.00 C ATOM 157 CD LYS A 10 -9.171 7.612 -8.378 1.00 0.00 C ATOM 158 CE LYS A 10 -7.919 8.491 -8.353 1.00 0.00 C ATOM 159 NZ LYS A 10 -7.082 8.002 -9.484 1.00 0.00 N ATOM 0 H LYS A 10 -10.761 4.007 -7.745 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.791 5.777 -6.552 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.761 6.971 -8.224 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -12.136 7.576 -6.622 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.512 9.108 -7.577 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.665 8.184 -6.352 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.904 6.573 -8.183 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.631 7.643 -9.366 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.173 9.544 -8.477 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.392 8.400 -7.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.204 8.557 -9.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.850 6.999 -9.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.607 8.108 -10.375 1.00 0.00 H new ATOM 173 N ILE A 11 -11.247 6.618 -4.366 1.00 0.00 N ATOM 174 CA ILE A 11 -11.772 6.516 -2.970 1.00 0.00 C ATOM 175 C ILE A 11 -11.561 5.118 -2.415 1.00 0.00 C ATOM 176 O ILE A 11 -12.290 4.673 -1.549 1.00 0.00 O ATOM 177 CB ILE A 11 -13.267 6.817 -3.080 1.00 0.00 C ATOM 178 CG1 ILE A 11 -14.023 5.627 -3.689 1.00 0.00 C ATOM 179 CG2 ILE A 11 -13.453 8.019 -3.985 1.00 0.00 C ATOM 180 CD1 ILE A 11 -15.432 5.565 -3.099 1.00 0.00 C ATOM 0 H ILE A 11 -10.750 7.483 -4.578 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.260 7.204 -2.298 1.00 0.00 H new ATOM 0 HB ILE A 11 -13.660 7.011 -2.082 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.075 5.731 -4.773 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -13.489 4.699 -3.483 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -14.515 8.247 -4.074 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -12.932 8.878 -3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -13.046 7.798 -4.972 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.970 4.721 -3.530 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -15.369 5.441 -2.018 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -15.963 6.489 -3.328 1.00 0.00 H new ATOM 192 N ASP A 12 -10.593 4.408 -2.901 1.00 0.00 N ATOM 193 CA ASP A 12 -10.394 3.041 -2.379 1.00 0.00 C ATOM 194 C ASP A 12 -9.407 3.060 -1.208 1.00 0.00 C ATOM 195 O ASP A 12 -9.044 4.105 -0.707 1.00 0.00 O ATOM 196 CB ASP A 12 -9.835 2.228 -3.547 1.00 0.00 C ATOM 197 CG ASP A 12 -10.666 2.489 -4.803 1.00 0.00 C ATOM 198 OD1 ASP A 12 -11.776 1.986 -4.870 1.00 0.00 O ATOM 199 OD2 ASP A 12 -10.179 3.186 -5.677 1.00 0.00 O ATOM 0 H ASP A 12 -9.941 4.709 -3.625 1.00 0.00 H new ATOM 0 HA ASP A 12 -11.323 2.610 -2.005 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.794 2.499 -3.725 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.851 1.166 -3.303 1.00 0.00 H new ATOM 204 N ILE A 13 -8.969 1.911 -0.770 1.00 0.00 N ATOM 205 CA ILE A 13 -8.006 1.865 0.365 1.00 0.00 C ATOM 206 C ILE A 13 -6.591 2.184 -0.127 1.00 0.00 C ATOM 207 O ILE A 13 -6.174 1.743 -1.179 1.00 0.00 O ATOM 208 CB ILE A 13 -8.081 0.432 0.891 1.00 0.00 C ATOM 209 CG1 ILE A 13 -9.534 0.094 1.235 1.00 0.00 C ATOM 210 CG2 ILE A 13 -7.219 0.302 2.146 1.00 0.00 C ATOM 211 CD1 ILE A 13 -10.024 1.026 2.346 1.00 0.00 C ATOM 0 H ILE A 13 -9.237 1.003 -1.149 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.245 2.595 1.138 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.716 -0.255 0.128 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -10.163 0.202 0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -9.611 -0.945 1.556 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -7.273 -0.720 2.520 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.185 0.545 1.904 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.584 0.988 2.910 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -11.059 0.786 2.592 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -9.401 0.896 3.231 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -9.962 2.060 2.007 1.00 0.00 H new ATOM 223 N LYS A 14 -5.849 2.948 0.628 1.00 0.00 N ATOM 224 CA LYS A 14 -4.461 3.293 0.206 1.00 0.00 C ATOM 225 C LYS A 14 -3.455 2.764 1.232 1.00 0.00 C ATOM 226 O LYS A 14 -2.512 3.436 1.598 1.00 0.00 O ATOM 227 CB LYS A 14 -4.428 4.822 0.159 1.00 0.00 C ATOM 228 CG LYS A 14 -3.093 5.285 -0.428 1.00 0.00 C ATOM 229 CD LYS A 14 -3.306 5.757 -1.867 1.00 0.00 C ATOM 230 CE LYS A 14 -1.949 5.930 -2.552 1.00 0.00 C ATOM 231 NZ LYS A 14 -1.939 4.920 -3.647 1.00 0.00 N ATOM 0 H LYS A 14 -6.144 3.348 1.519 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.198 2.853 -0.756 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.253 5.196 -0.447 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.558 5.230 1.161 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.680 6.094 0.174 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.371 4.469 -0.405 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.911 5.033 -2.413 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.852 6.700 -1.875 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.831 6.940 -2.945 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.130 5.763 -1.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.038 4.977 -4.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.046 3.968 -3.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.726 5.109 -4.301 1.00 0.00 H new ATOM 245 N THR A 15 -3.657 1.564 1.701 1.00 0.00 N ATOM 246 CA THR A 15 -2.722 0.985 2.708 1.00 0.00 C ATOM 247 C THR A 15 -2.702 -0.545 2.592 1.00 0.00 C ATOM 248 O THR A 15 -3.681 -1.203 2.883 1.00 0.00 O ATOM 249 CB THR A 15 -3.292 1.415 4.058 1.00 0.00 C ATOM 250 OG1 THR A 15 -4.707 1.279 4.042 1.00 0.00 O ATOM 251 CG2 THR A 15 -2.919 2.874 4.328 1.00 0.00 C ATOM 0 H THR A 15 -4.431 0.957 1.430 1.00 0.00 H new ATOM 0 HA THR A 15 -1.696 1.325 2.570 1.00 0.00 H new ATOM 0 HB THR A 15 -2.878 0.784 4.845 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.947 0.399 3.684 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.326 3.181 5.291 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.834 2.975 4.343 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.331 3.506 3.542 1.00 0.00 H new ATOM 259 N SER A 16 -1.602 -1.120 2.163 1.00 0.00 N ATOM 260 CA SER A 16 -1.543 -2.608 2.037 1.00 0.00 C ATOM 261 C SER A 16 -1.736 -3.244 3.449 1.00 0.00 C ATOM 262 O SER A 16 -2.748 -2.944 4.052 1.00 0.00 O ATOM 263 CB SER A 16 -0.205 -2.890 1.346 1.00 0.00 C ATOM 264 OG SER A 16 -0.174 -2.194 0.107 1.00 0.00 O ATOM 0 H SER A 16 -0.750 -0.626 1.897 1.00 0.00 H new ATOM 0 HA SER A 16 -2.334 -3.058 1.438 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.622 -2.570 1.980 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.084 -3.961 1.181 1.00 0.00 H new ATOM 0 HG SER A 16 0.679 -2.366 -0.344 1.00 0.00 H new ATOM 270 N PRO A 17 -0.862 -4.098 4.003 1.00 0.00 N ATOM 271 CA PRO A 17 0.417 -4.609 3.479 1.00 0.00 C ATOM 272 C PRO A 17 0.286 -6.092 3.150 1.00 0.00 C ATOM 273 O PRO A 17 1.167 -6.863 3.473 1.00 0.00 O ATOM 274 CB PRO A 17 1.296 -4.519 4.721 1.00 0.00 C ATOM 275 CG PRO A 17 0.349 -4.601 5.879 1.00 0.00 C ATOM 276 CD PRO A 17 -1.025 -4.698 5.299 1.00 0.00 C ATOM 0 HA PRO A 17 0.768 -4.082 2.592 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.023 -5.331 4.749 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.859 -3.586 4.738 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.570 -5.469 6.500 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.439 -3.722 6.517 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.363 -5.732 5.227 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -1.759 -4.164 5.903 1.00 0.00 H new ATOM 284 N PRO A 18 -0.813 -6.474 2.570 1.00 0.00 N ATOM 285 CA PRO A 18 -1.018 -7.901 2.287 1.00 0.00 C ATOM 286 C PRO A 18 0.052 -8.462 1.330 1.00 0.00 C ATOM 287 O PRO A 18 0.387 -9.626 1.438 1.00 0.00 O ATOM 288 CB PRO A 18 -2.448 -7.955 1.760 1.00 0.00 C ATOM 289 CG PRO A 18 -2.719 -6.592 1.234 1.00 0.00 C ATOM 290 CD PRO A 18 -1.945 -5.656 2.120 1.00 0.00 C ATOM 0 HA PRO A 18 -0.901 -8.545 3.159 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.552 -8.707 0.978 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.150 -8.219 2.551 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -2.400 -6.502 0.195 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.785 -6.366 1.261 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.611 -4.772 1.577 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -2.547 -5.306 2.959 1.00 0.00 H new ATOM 298 N PRO A 19 0.626 -7.640 0.474 1.00 0.00 N ATOM 299 CA PRO A 19 1.713 -8.143 -0.382 1.00 0.00 C ATOM 300 C PRO A 19 2.997 -8.073 0.452 1.00 0.00 C ATOM 301 O PRO A 19 3.800 -7.175 0.311 1.00 0.00 O ATOM 302 CB PRO A 19 1.739 -7.174 -1.557 1.00 0.00 C ATOM 303 CG PRO A 19 1.139 -5.901 -1.042 1.00 0.00 C ATOM 304 CD PRO A 19 0.346 -6.221 0.208 1.00 0.00 C ATOM 0 HA PRO A 19 1.596 -9.167 -0.736 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.758 -7.013 -1.910 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.168 -7.564 -2.400 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.921 -5.175 -0.820 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.493 -5.453 -1.797 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.654 -5.593 1.044 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.720 -6.049 0.056 1.00 0.00 H new ATOM 312 N GLU A 20 3.134 -8.995 1.371 1.00 0.00 N ATOM 313 CA GLU A 20 4.302 -9.010 2.312 1.00 0.00 C ATOM 314 C GLU A 20 5.664 -9.026 1.610 1.00 0.00 C ATOM 315 O GLU A 20 6.494 -9.861 1.899 1.00 0.00 O ATOM 316 CB GLU A 20 4.128 -10.297 3.120 1.00 0.00 C ATOM 317 CG GLU A 20 3.737 -11.448 2.189 1.00 0.00 C ATOM 318 CD GLU A 20 4.730 -12.599 2.358 1.00 0.00 C ATOM 319 OE1 GLU A 20 5.037 -12.929 3.492 1.00 0.00 O ATOM 320 OE2 GLU A 20 5.168 -13.130 1.351 1.00 0.00 O ATOM 0 H GLU A 20 2.471 -9.757 1.514 1.00 0.00 H new ATOM 0 HA GLU A 20 4.306 -8.101 2.914 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.055 -10.538 3.641 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.361 -10.157 3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.727 -11.788 2.418 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.732 -11.107 1.154 1.00 0.00 H new ATOM 327 N CYS A 21 5.940 -8.098 0.744 1.00 0.00 N ATOM 328 CA CYS A 21 7.303 -8.098 0.125 1.00 0.00 C ATOM 329 C CYS A 21 8.285 -7.441 1.102 1.00 0.00 C ATOM 330 O CYS A 21 9.446 -7.791 1.153 1.00 0.00 O ATOM 331 CB CYS A 21 7.273 -7.360 -1.239 1.00 0.00 C ATOM 332 SG CYS A 21 5.731 -6.442 -1.514 1.00 0.00 S ATOM 0 H CYS A 21 5.308 -7.357 0.440 1.00 0.00 H new ATOM 0 HA CYS A 21 7.630 -9.120 -0.069 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.115 -6.670 -1.291 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.406 -8.086 -2.042 1.00 0.00 H new ATOM 0 HG CYS A 21 4.719 -7.180 -1.166 1.00 0.00 H new ATOM 338 N ILE A 22 7.821 -6.501 1.893 1.00 0.00 N ATOM 339 CA ILE A 22 8.726 -5.837 2.885 1.00 0.00 C ATOM 340 C ILE A 22 8.894 -6.712 4.113 1.00 0.00 C ATOM 341 O ILE A 22 9.985 -7.024 4.525 1.00 0.00 O ATOM 342 CB ILE A 22 8.027 -4.550 3.327 1.00 0.00 C ATOM 343 CG1 ILE A 22 7.694 -3.621 2.154 1.00 0.00 C ATOM 344 CG2 ILE A 22 8.929 -3.805 4.304 1.00 0.00 C ATOM 345 CD1 ILE A 22 8.302 -4.121 0.835 1.00 0.00 C ATOM 0 H ILE A 22 6.858 -6.166 1.894 1.00 0.00 H new ATOM 0 HA ILE A 22 9.703 -5.653 2.437 1.00 0.00 H new ATOM 0 HB ILE A 22 7.085 -4.837 3.795 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.612 -3.544 2.048 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.066 -2.619 2.368 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.438 -2.886 4.624 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.123 -4.434 5.173 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.872 -3.561 3.815 1.00 0.00 H new ATOM 0 HD11 ILE A 22 8.041 -3.433 0.030 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.387 -4.173 0.931 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.910 -5.112 0.606 1.00 0.00 H new ATOM 357 N ASN A 23 7.818 -7.085 4.730 1.00 0.00 N ATOM 358 CA ASN A 23 7.955 -7.920 5.950 1.00 0.00 C ATOM 359 C ASN A 23 8.572 -9.266 5.585 1.00 0.00 C ATOM 360 O ASN A 23 9.549 -9.678 6.171 1.00 0.00 O ATOM 361 CB ASN A 23 6.552 -8.091 6.522 1.00 0.00 C ATOM 362 CG ASN A 23 5.682 -8.889 5.561 1.00 0.00 C ATOM 363 OD1 ASN A 23 5.791 -8.741 4.363 1.00 0.00 O ATOM 364 ND2 ASN A 23 4.816 -9.736 6.046 1.00 0.00 N ATOM 0 H ASN A 23 6.864 -6.855 4.452 1.00 0.00 H new ATOM 0 HA ASN A 23 8.609 -7.455 6.688 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.604 -8.600 7.484 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.104 -7.114 6.702 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.225 -10.279 5.416 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.730 -9.855 7.055 1.00 0.00 H new ATOM 371 N ASP A 24 8.059 -9.935 4.586 1.00 0.00 N ATOM 372 CA ASP A 24 8.681 -11.222 4.193 1.00 0.00 C ATOM 373 C ASP A 24 10.132 -10.929 3.870 1.00 0.00 C ATOM 374 O ASP A 24 10.991 -11.787 3.914 1.00 0.00 O ATOM 375 CB ASP A 24 7.932 -11.683 2.946 1.00 0.00 C ATOM 376 CG ASP A 24 8.243 -13.156 2.679 1.00 0.00 C ATOM 377 OD1 ASP A 24 9.402 -13.523 2.778 1.00 0.00 O ATOM 378 OD2 ASP A 24 7.317 -13.892 2.381 1.00 0.00 O ATOM 0 H ASP A 24 7.249 -9.648 4.036 1.00 0.00 H new ATOM 0 HA ASP A 24 8.633 -11.989 4.966 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.859 -11.546 3.082 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.225 -11.077 2.088 1.00 0.00 H new ATOM 383 N LEU A 25 10.405 -9.691 3.568 1.00 0.00 N ATOM 384 CA LEU A 25 11.783 -9.289 3.265 1.00 0.00 C ATOM 385 C LEU A 25 12.502 -8.999 4.553 1.00 0.00 C ATOM 386 O LEU A 25 13.510 -9.583 4.900 1.00 0.00 O ATOM 387 CB LEU A 25 11.663 -7.983 2.471 1.00 0.00 C ATOM 388 CG LEU A 25 12.865 -7.046 2.761 1.00 0.00 C ATOM 389 CD1 LEU A 25 13.847 -7.071 1.606 1.00 0.00 C ATOM 390 CD2 LEU A 25 12.366 -5.624 2.986 1.00 0.00 C ATOM 0 H LEU A 25 9.716 -8.940 3.521 1.00 0.00 H new ATOM 0 HA LEU A 25 12.324 -10.062 2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.618 -8.204 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.732 -7.479 2.731 1.00 0.00 H new ATOM 0 HG LEU A 25 13.374 -7.397 3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.684 -6.408 1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.216 -8.087 1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 25 13.348 -6.736 0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.213 -4.969 3.189 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.844 -5.276 2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.683 -5.608 3.835 1.00 0.00 H new ATOM 402 N LEU A 26 11.998 -8.013 5.211 1.00 0.00 N ATOM 403 CA LEU A 26 12.610 -7.531 6.428 1.00 0.00 C ATOM 404 C LEU A 26 12.409 -8.522 7.562 1.00 0.00 C ATOM 405 O LEU A 26 12.939 -8.362 8.645 1.00 0.00 O ATOM 406 CB LEU A 26 11.901 -6.216 6.668 1.00 0.00 C ATOM 407 CG LEU A 26 12.157 -5.782 8.075 1.00 0.00 C ATOM 408 CD1 LEU A 26 13.644 -5.527 8.225 1.00 0.00 C ATOM 409 CD2 LEU A 26 11.376 -4.500 8.362 1.00 0.00 C ATOM 0 H LEU A 26 11.154 -7.511 4.933 1.00 0.00 H new ATOM 0 HA LEU A 26 13.691 -7.408 6.362 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.259 -5.461 5.969 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.830 -6.327 6.496 1.00 0.00 H new ATOM 0 HG LEU A 26 11.837 -6.551 8.778 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.857 -5.208 9.245 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.194 -6.443 8.008 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.951 -4.746 7.529 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.562 -4.183 9.388 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.698 -3.717 7.676 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.310 -4.685 8.227 1.00 0.00 H new ATOM 421 N GLN A 27 11.695 -9.576 7.306 1.00 0.00 N ATOM 422 CA GLN A 27 11.515 -10.603 8.338 1.00 0.00 C ATOM 423 C GLN A 27 12.856 -11.307 8.518 1.00 0.00 C ATOM 424 O GLN A 27 13.027 -12.142 9.383 1.00 0.00 O ATOM 425 CB GLN A 27 10.493 -11.552 7.744 1.00 0.00 C ATOM 426 CG GLN A 27 9.093 -11.114 8.173 1.00 0.00 C ATOM 427 CD GLN A 27 8.496 -12.126 9.153 1.00 0.00 C ATOM 428 OE1 GLN A 27 8.811 -13.383 9.043 1.00 0.00 O flip ATOM 429 NE2 GLN A 27 7.732 -11.764 10.025 1.00 0.00 N flip ATOM 0 H GLN A 27 11.229 -9.764 6.418 1.00 0.00 H new ATOM 0 HA GLN A 27 11.191 -10.219 9.305 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.569 -11.554 6.657 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.687 -12.571 8.079 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.140 -10.130 8.639 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.449 -11.022 7.298 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.486 -10.778 10.110 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.337 -12.446 10.672 1.00 0.00 H new ATOM 438 N ALA A 28 13.809 -10.987 7.669 1.00 0.00 N ATOM 439 CA ALA A 28 15.125 -11.650 7.758 1.00 0.00 C ATOM 440 C ALA A 28 16.292 -10.648 7.805 1.00 0.00 C ATOM 441 O ALA A 28 17.404 -11.036 8.104 1.00 0.00 O ATOM 442 CB ALA A 28 15.211 -12.491 6.487 1.00 0.00 C ATOM 0 H ALA A 28 13.719 -10.295 6.925 1.00 0.00 H new ATOM 0 HA ALA A 28 15.207 -12.234 8.675 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.162 -13.023 6.466 1.00 0.00 H new ATOM 0 HB2 ALA A 28 14.392 -13.210 6.471 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.140 -11.841 5.615 1.00 0.00 H new ATOM 448 N VAL A 29 16.101 -9.375 7.516 1.00 0.00 N ATOM 449 CA VAL A 29 17.284 -8.477 7.576 1.00 0.00 C ATOM 450 C VAL A 29 17.197 -7.568 8.785 1.00 0.00 C ATOM 451 O VAL A 29 17.984 -6.660 8.944 1.00 0.00 O ATOM 452 CB VAL A 29 17.312 -7.706 6.241 1.00 0.00 C ATOM 453 CG1 VAL A 29 15.895 -7.461 5.727 1.00 0.00 C ATOM 454 CG2 VAL A 29 18.022 -6.360 6.421 1.00 0.00 C ATOM 0 H VAL A 29 15.215 -8.943 7.254 1.00 0.00 H new ATOM 0 HA VAL A 29 18.215 -9.030 7.697 1.00 0.00 H new ATOM 0 HB VAL A 29 17.854 -8.311 5.515 1.00 0.00 H new ATOM 0 HG11 VAL A 29 15.939 -6.916 4.784 1.00 0.00 H new ATOM 0 HG12 VAL A 29 15.394 -8.417 5.570 1.00 0.00 H new ATOM 0 HG13 VAL A 29 15.339 -6.876 6.459 1.00 0.00 H new ATOM 0 HG21 VAL A 29 18.035 -5.826 5.471 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.491 -5.765 7.165 1.00 0.00 H new ATOM 0 HG23 VAL A 29 19.045 -6.530 6.755 1.00 0.00 H new ATOM 464 N ASP A 30 16.286 -7.841 9.674 1.00 0.00 N ATOM 465 CA ASP A 30 16.204 -7.014 10.899 1.00 0.00 C ATOM 466 C ASP A 30 16.313 -5.555 10.532 1.00 0.00 C ATOM 467 O ASP A 30 17.400 -5.025 10.404 1.00 0.00 O ATOM 468 CB ASP A 30 17.438 -7.425 11.677 1.00 0.00 C ATOM 469 CG ASP A 30 17.105 -8.594 12.605 1.00 0.00 C ATOM 470 OD1 ASP A 30 16.286 -8.407 13.490 1.00 0.00 O ATOM 471 OD2 ASP A 30 17.673 -9.656 12.415 1.00 0.00 O ATOM 0 H ASP A 30 15.602 -8.594 9.604 1.00 0.00 H new ATOM 0 HA ASP A 30 15.273 -7.150 11.450 1.00 0.00 H new ATOM 0 HB2 ASP A 30 18.233 -7.711 10.989 1.00 0.00 H new ATOM 0 HB3 ASP A 30 17.809 -6.582 12.259 1.00 0.00 H new ATOM 476 N SER A 31 15.233 -4.887 10.315 1.00 0.00 N ATOM 477 CA SER A 31 15.393 -3.494 9.902 1.00 0.00 C ATOM 478 C SER A 31 14.069 -2.746 10.035 1.00 0.00 C ATOM 479 O SER A 31 13.476 -2.313 9.068 1.00 0.00 O ATOM 480 CB SER A 31 15.858 -3.695 8.461 1.00 0.00 C ATOM 481 OG SER A 31 16.891 -2.779 8.165 1.00 0.00 O ATOM 0 H SER A 31 14.278 -5.233 10.403 1.00 0.00 H new ATOM 0 HA SER A 31 16.081 -2.886 10.489 1.00 0.00 H new ATOM 0 HB2 SER A 31 16.213 -4.716 8.322 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.023 -3.551 7.775 1.00 0.00 H new ATOM 0 HG SER A 31 17.671 -2.973 8.726 1.00 0.00 H new ATOM 487 N GLN A 32 13.612 -2.602 11.248 1.00 0.00 N ATOM 488 CA GLN A 32 12.326 -1.901 11.500 1.00 0.00 C ATOM 489 C GLN A 32 12.274 -0.581 10.731 1.00 0.00 C ATOM 490 O GLN A 32 11.215 -0.053 10.475 1.00 0.00 O ATOM 491 CB GLN A 32 12.321 -1.647 13.006 1.00 0.00 C ATOM 492 CG GLN A 32 10.914 -1.879 13.557 1.00 0.00 C ATOM 493 CD GLN A 32 10.435 -0.618 14.263 1.00 0.00 C ATOM 494 OE1 GLN A 32 10.830 -0.339 15.378 1.00 0.00 O ATOM 495 NE2 GLN A 32 9.593 0.163 13.653 1.00 0.00 N ATOM 0 H GLN A 32 14.083 -2.946 12.085 1.00 0.00 H new ATOM 0 HA GLN A 32 11.464 -2.482 11.174 1.00 0.00 H new ATOM 0 HB2 GLN A 32 13.031 -2.311 13.500 1.00 0.00 H new ATOM 0 HB3 GLN A 32 12.641 -0.626 13.215 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.232 -2.137 12.747 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.917 -2.719 14.251 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.263 -0.074 12.717 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.262 1.013 14.110 1.00 0.00 H new ATOM 504 N GLU A 33 13.396 -0.050 10.336 1.00 0.00 N ATOM 505 CA GLU A 33 13.363 1.222 9.562 1.00 0.00 C ATOM 506 C GLU A 33 12.738 0.942 8.202 1.00 0.00 C ATOM 507 O GLU A 33 12.123 1.795 7.594 1.00 0.00 O ATOM 508 CB GLU A 33 14.820 1.651 9.401 1.00 0.00 C ATOM 509 CG GLU A 33 15.550 1.504 10.736 1.00 0.00 C ATOM 510 CD GLU A 33 16.718 2.491 10.790 1.00 0.00 C ATOM 511 OE1 GLU A 33 17.726 2.221 10.157 1.00 0.00 O ATOM 512 OE2 GLU A 33 16.586 3.500 11.462 1.00 0.00 O ATOM 0 H GLU A 33 14.324 -0.435 10.512 1.00 0.00 H new ATOM 0 HA GLU A 33 12.781 2.001 10.055 1.00 0.00 H new ATOM 0 HB2 GLU A 33 15.307 1.041 8.640 1.00 0.00 H new ATOM 0 HB3 GLU A 33 14.869 2.685 9.060 1.00 0.00 H new ATOM 0 HG2 GLU A 33 14.863 1.692 11.561 1.00 0.00 H new ATOM 0 HG3 GLU A 33 15.916 0.484 10.852 1.00 0.00 H new ATOM 519 N VAL A 34 12.884 -0.262 7.733 1.00 0.00 N ATOM 520 CA VAL A 34 12.293 -0.626 6.424 1.00 0.00 C ATOM 521 C VAL A 34 10.796 -0.876 6.616 1.00 0.00 C ATOM 522 O VAL A 34 9.982 -0.478 5.807 1.00 0.00 O ATOM 523 CB VAL A 34 13.075 -1.875 5.985 1.00 0.00 C ATOM 524 CG1 VAL A 34 12.145 -2.916 5.353 1.00 0.00 C ATOM 525 CG2 VAL A 34 14.131 -1.447 4.963 1.00 0.00 C ATOM 0 H VAL A 34 13.390 -1.012 8.204 1.00 0.00 H new ATOM 0 HA VAL A 34 12.368 0.146 5.659 1.00 0.00 H new ATOM 0 HB VAL A 34 13.543 -2.329 6.859 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.726 -3.788 5.052 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.389 -3.216 6.078 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.658 -2.485 4.478 1.00 0.00 H new ATOM 0 HG21 VAL A 34 14.698 -2.320 4.638 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.641 -0.992 4.102 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.807 -0.724 5.420 1.00 0.00 H new ATOM 535 N ARG A 35 10.427 -1.485 7.703 1.00 0.00 N ATOM 536 CA ARG A 35 8.986 -1.702 7.974 1.00 0.00 C ATOM 537 C ARG A 35 8.412 -0.383 8.477 1.00 0.00 C ATOM 538 O ARG A 35 7.380 0.079 8.031 1.00 0.00 O ATOM 539 CB ARG A 35 8.964 -2.735 9.076 1.00 0.00 C ATOM 540 CG ARG A 35 8.311 -4.022 8.581 1.00 0.00 C ATOM 541 CD ARG A 35 7.464 -4.597 9.710 1.00 0.00 C ATOM 542 NE ARG A 35 6.716 -5.731 9.102 1.00 0.00 N ATOM 543 CZ ARG A 35 7.074 -6.959 9.363 1.00 0.00 C ATOM 544 NH1 ARG A 35 8.278 -7.363 9.066 1.00 0.00 N ATOM 545 NH2 ARG A 35 6.230 -7.782 9.923 1.00 0.00 N ATOM 0 H ARG A 35 11.063 -1.842 8.416 1.00 0.00 H new ATOM 0 HA ARG A 35 8.411 -2.027 7.107 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.980 -2.940 9.412 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.416 -2.348 9.936 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.692 -3.821 7.707 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.072 -4.740 8.274 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.088 -4.936 10.537 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.783 -3.847 10.112 1.00 0.00 H new ATOM 0 HE ARG A 35 5.926 -5.549 8.483 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.939 -6.720 8.630 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.559 -8.322 9.270 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.289 -7.466 10.157 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.511 -8.741 10.126 1.00 0.00 H new ATOM 559 N ASP A 36 9.119 0.253 9.377 1.00 0.00 N ATOM 560 CA ASP A 36 8.666 1.572 9.878 1.00 0.00 C ATOM 561 C ASP A 36 8.469 2.447 8.659 1.00 0.00 C ATOM 562 O ASP A 36 7.653 3.344 8.620 1.00 0.00 O ATOM 563 CB ASP A 36 9.817 2.095 10.740 1.00 0.00 C ATOM 564 CG ASP A 36 9.403 3.401 11.417 1.00 0.00 C ATOM 565 OD1 ASP A 36 8.972 4.300 10.714 1.00 0.00 O ATOM 566 OD2 ASP A 36 9.524 3.481 12.629 1.00 0.00 O ATOM 0 H ASP A 36 9.990 -0.090 9.782 1.00 0.00 H new ATOM 0 HA ASP A 36 7.742 1.542 10.456 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.086 1.354 11.492 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.701 2.258 10.123 1.00 0.00 H new ATOM 571 N TYR A 37 9.212 2.127 7.642 1.00 0.00 N ATOM 572 CA TYR A 37 9.119 2.835 6.365 1.00 0.00 C ATOM 573 C TYR A 37 7.909 2.281 5.626 1.00 0.00 C ATOM 574 O TYR A 37 7.030 3.001 5.208 1.00 0.00 O ATOM 575 CB TYR A 37 10.422 2.478 5.659 1.00 0.00 C ATOM 576 CG TYR A 37 10.204 2.558 4.179 1.00 0.00 C ATOM 577 CD1 TYR A 37 9.591 1.488 3.532 1.00 0.00 C ATOM 578 CD2 TYR A 37 10.550 3.712 3.472 1.00 0.00 C ATOM 579 CE1 TYR A 37 9.321 1.558 2.173 1.00 0.00 C ATOM 580 CE2 TYR A 37 10.272 3.793 2.106 1.00 0.00 C ATOM 581 CZ TYR A 37 9.656 2.720 1.454 1.00 0.00 C ATOM 582 OH TYR A 37 9.371 2.815 0.106 1.00 0.00 O ATOM 0 H TYR A 37 9.901 1.375 7.656 1.00 0.00 H new ATOM 0 HA TYR A 37 8.996 3.915 6.441 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.215 3.162 5.962 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.741 1.475 5.940 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.325 0.602 4.089 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.030 4.536 3.979 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.856 0.724 1.669 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.532 4.684 1.553 1.00 0.00 H new ATOM 0 HH TYR A 37 10.204 2.930 -0.397 1.00 0.00 H new ATOM 592 N CYS A 38 7.857 0.989 5.493 1.00 0.00 N ATOM 593 CA CYS A 38 6.716 0.343 4.804 1.00 0.00 C ATOM 594 C CYS A 38 5.402 0.866 5.388 1.00 0.00 C ATOM 595 O CYS A 38 4.527 1.305 4.672 1.00 0.00 O ATOM 596 CB CYS A 38 6.918 -1.142 5.088 1.00 0.00 C ATOM 597 SG CYS A 38 5.860 -2.133 4.014 1.00 0.00 S ATOM 0 H CYS A 38 8.569 0.345 5.839 1.00 0.00 H new ATOM 0 HA CYS A 38 6.670 0.546 3.734 1.00 0.00 H new ATOM 0 HB2 CYS A 38 7.962 -1.411 4.930 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.689 -1.354 6.132 1.00 0.00 H new ATOM 0 HG CYS A 38 5.256 -1.357 3.164 1.00 0.00 H new ATOM 603 N GLU A 39 5.267 0.859 6.683 1.00 0.00 N ATOM 604 CA GLU A 39 4.028 1.400 7.292 1.00 0.00 C ATOM 605 C GLU A 39 4.075 2.920 7.189 1.00 0.00 C ATOM 606 O GLU A 39 3.088 3.597 7.400 1.00 0.00 O ATOM 607 CB GLU A 39 4.074 0.957 8.749 1.00 0.00 C ATOM 608 CG GLU A 39 5.408 1.396 9.347 1.00 0.00 C ATOM 609 CD GLU A 39 5.158 2.387 10.486 1.00 0.00 C ATOM 610 OE1 GLU A 39 4.687 3.477 10.203 1.00 0.00 O ATOM 611 OE2 GLU A 39 5.443 2.039 11.620 1.00 0.00 O ATOM 0 H GLU A 39 5.959 0.503 7.342 1.00 0.00 H new ATOM 0 HA GLU A 39 3.116 1.053 6.806 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.246 1.397 9.305 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.965 -0.125 8.819 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.954 0.529 9.719 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.028 1.858 8.579 1.00 0.00 H new ATOM 618 N LYS A 40 5.205 3.465 6.803 1.00 0.00 N ATOM 619 CA LYS A 40 5.269 4.929 6.625 1.00 0.00 C ATOM 620 C LYS A 40 4.797 5.173 5.217 1.00 0.00 C ATOM 621 O LYS A 40 4.173 6.164 4.891 1.00 0.00 O ATOM 622 CB LYS A 40 6.735 5.344 6.752 1.00 0.00 C ATOM 623 CG LYS A 40 6.850 6.838 6.452 1.00 0.00 C ATOM 624 CD LYS A 40 8.224 7.339 6.890 1.00 0.00 C ATOM 625 CE LYS A 40 8.802 8.252 5.807 1.00 0.00 C ATOM 626 NZ LYS A 40 9.283 9.459 6.533 1.00 0.00 N ATOM 0 H LYS A 40 6.068 2.958 6.609 1.00 0.00 H new ATOM 0 HA LYS A 40 4.672 5.482 7.350 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.102 5.131 7.756 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.351 4.771 6.059 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.708 7.018 5.386 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.067 7.387 6.975 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.142 7.881 7.832 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.892 6.496 7.064 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.616 7.763 5.273 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.046 8.513 5.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.693 10.132 5.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.485 9.908 7.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.007 9.182 7.226 1.00 0.00 H new ATOM 640 N LYS A 41 5.098 4.222 4.387 1.00 0.00 N ATOM 641 CA LYS A 41 4.698 4.283 2.981 1.00 0.00 C ATOM 642 C LYS A 41 3.208 4.128 2.922 1.00 0.00 C ATOM 643 O LYS A 41 2.468 4.969 2.451 1.00 0.00 O ATOM 644 CB LYS A 41 5.304 3.044 2.367 1.00 0.00 C ATOM 645 CG LYS A 41 6.803 2.953 2.559 1.00 0.00 C ATOM 646 CD LYS A 41 7.405 4.330 2.784 1.00 0.00 C ATOM 647 CE LYS A 41 7.598 5.011 1.434 1.00 0.00 C ATOM 648 NZ LYS A 41 7.847 6.445 1.747 1.00 0.00 N ATOM 0 H LYS A 41 5.621 3.384 4.643 1.00 0.00 H new ATOM 0 HA LYS A 41 5.003 5.206 2.489 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.834 2.163 2.805 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.080 3.028 1.300 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.026 2.310 3.411 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.259 2.491 1.683 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.751 4.928 3.418 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.360 4.244 3.303 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.437 4.576 0.891 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.716 4.894 0.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.989 6.974 0.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.029 6.836 2.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.697 6.528 2.340 1.00 0.00 H new ATOM 662 N GLY A 42 2.781 3.025 3.450 1.00 0.00 N ATOM 663 CA GLY A 42 1.346 2.731 3.504 1.00 0.00 C ATOM 664 C GLY A 42 1.028 1.274 3.171 1.00 0.00 C ATOM 665 O GLY A 42 0.209 0.979 2.329 1.00 0.00 O ATOM 0 H GLY A 42 3.383 2.306 3.852 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.970 2.962 4.501 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.820 3.382 2.806 1.00 0.00 H new ATOM 669 N TRP A 43 1.619 0.367 3.888 1.00 0.00 N ATOM 670 CA TRP A 43 1.287 -1.073 3.699 1.00 0.00 C ATOM 671 C TRP A 43 0.884 -1.514 5.044 1.00 0.00 C ATOM 672 O TRP A 43 -0.144 -2.111 5.293 1.00 0.00 O ATOM 673 CB TRP A 43 2.512 -1.914 3.359 1.00 0.00 C ATOM 674 CG TRP A 43 3.480 -1.227 2.473 1.00 0.00 C ATOM 675 CD1 TRP A 43 3.719 0.085 2.475 1.00 0.00 C ATOM 676 CD2 TRP A 43 4.406 -1.795 1.493 1.00 0.00 C ATOM 677 NE1 TRP A 43 4.670 0.362 1.577 1.00 0.00 N ATOM 678 CE2 TRP A 43 5.152 -0.737 0.956 1.00 0.00 C ATOM 679 CE3 TRP A 43 4.675 -3.091 1.021 1.00 0.00 C ATOM 680 CZ2 TRP A 43 6.131 -0.917 0.007 1.00 0.00 C ATOM 681 CZ3 TRP A 43 5.668 -3.293 0.053 1.00 0.00 C ATOM 682 CH2 TRP A 43 6.403 -2.207 -0.454 1.00 0.00 C ATOM 0 H TRP A 43 2.322 0.559 4.602 1.00 0.00 H new ATOM 0 HA TRP A 43 0.553 -1.185 2.901 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.016 -2.196 4.283 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.186 -2.837 2.880 1.00 0.00 H new ATOM 0 HD1 TRP A 43 3.222 0.810 3.103 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.998 1.307 1.381 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.116 -3.932 1.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.682 -0.071 -0.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.870 -4.291 -0.306 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.172 -2.369 -1.194 1.00 0.00 H new ATOM 693 N ILE A 44 1.744 -1.130 5.923 1.00 0.00 N ATOM 694 CA ILE A 44 1.594 -1.369 7.354 1.00 0.00 C ATOM 695 C ILE A 44 2.059 -2.759 7.727 1.00 0.00 C ATOM 696 O ILE A 44 1.788 -3.257 8.802 1.00 0.00 O ATOM 697 CB ILE A 44 0.130 -1.219 7.674 1.00 0.00 C ATOM 698 CG1 ILE A 44 -0.467 -0.036 6.919 1.00 0.00 C ATOM 699 CG2 ILE A 44 0.006 -0.977 9.177 1.00 0.00 C ATOM 700 CD1 ILE A 44 -1.876 -0.408 6.466 1.00 0.00 C ATOM 0 H ILE A 44 2.598 -0.628 5.682 1.00 0.00 H new ATOM 0 HA ILE A 44 2.201 -0.661 7.918 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.408 -2.119 7.376 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.496 0.846 7.559 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.153 0.215 6.058 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.045 -0.864 9.442 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.427 -1.824 9.718 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.547 -0.070 9.445 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.317 0.429 5.924 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.830 -1.279 5.813 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.489 -0.639 7.337 1.00 0.00 H new ATOM 712 N VAL A 45 2.735 -3.373 6.825 1.00 0.00 N ATOM 713 CA VAL A 45 3.248 -4.752 7.035 1.00 0.00 C ATOM 714 C VAL A 45 3.510 -5.032 8.521 1.00 0.00 C ATOM 715 O VAL A 45 4.532 -4.661 9.062 1.00 0.00 O ATOM 716 CB VAL A 45 4.549 -4.780 6.249 1.00 0.00 C ATOM 717 CG1 VAL A 45 4.256 -4.827 4.748 1.00 0.00 C ATOM 718 CG2 VAL A 45 5.373 -3.532 6.580 1.00 0.00 C ATOM 0 H VAL A 45 2.967 -2.972 5.916 1.00 0.00 H new ATOM 0 HA VAL A 45 2.536 -5.511 6.711 1.00 0.00 H new ATOM 0 HB VAL A 45 5.114 -5.671 6.524 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.195 -4.847 4.194 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.680 -5.723 4.518 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.684 -3.945 4.461 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.306 -3.552 6.017 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.806 -2.640 6.312 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.594 -3.514 7.647 1.00 0.00 H new ATOM 728 N ASN A 46 2.590 -5.683 9.184 1.00 0.00 N ATOM 729 CA ASN A 46 2.785 -5.982 10.634 1.00 0.00 C ATOM 730 C ASN A 46 1.773 -7.033 11.107 1.00 0.00 C ATOM 731 O ASN A 46 0.582 -6.890 10.915 1.00 0.00 O ATOM 732 CB ASN A 46 2.542 -4.651 11.347 1.00 0.00 C ATOM 733 CG ASN A 46 2.332 -4.901 12.841 1.00 0.00 C ATOM 734 OD1 ASN A 46 2.805 -5.884 13.376 1.00 0.00 O ATOM 735 ND2 ASN A 46 1.637 -4.047 13.544 1.00 0.00 N ATOM 0 H ASN A 46 1.714 -6.020 8.785 1.00 0.00 H new ATOM 0 HA ASN A 46 3.777 -6.385 10.839 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.391 -3.985 11.195 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.668 -4.155 10.925 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.492 -4.206 14.541 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.240 -3.221 13.096 1.00 0.00 H new ATOM 742 N ILE A 47 2.237 -8.084 11.729 1.00 0.00 N ATOM 743 CA ILE A 47 1.300 -9.137 12.220 1.00 0.00 C ATOM 744 C ILE A 47 1.400 -9.270 13.743 1.00 0.00 C ATOM 745 O ILE A 47 1.030 -10.277 14.313 1.00 0.00 O ATOM 746 CB ILE A 47 1.756 -10.430 11.544 1.00 0.00 C ATOM 747 CG1 ILE A 47 0.753 -11.544 11.855 1.00 0.00 C ATOM 748 CG2 ILE A 47 3.136 -10.827 12.075 1.00 0.00 C ATOM 749 CD1 ILE A 47 0.672 -12.507 10.669 1.00 0.00 C ATOM 0 H ILE A 47 3.224 -8.259 11.918 1.00 0.00 H new ATOM 0 HA ILE A 47 0.262 -8.899 11.987 1.00 0.00 H new ATOM 0 HB ILE A 47 1.813 -10.277 10.466 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.058 -12.082 12.753 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.229 -11.117 12.057 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.460 -11.749 11.592 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.851 -10.033 11.859 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.081 -10.982 13.153 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.042 -13.299 10.892 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.347 -11.964 9.781 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.654 -12.944 10.488 1.00 0.00 H new ATOM 761 N THR A 48 1.901 -8.262 14.406 1.00 0.00 N ATOM 762 CA THR A 48 2.025 -8.335 15.891 1.00 0.00 C ATOM 763 C THR A 48 0.990 -7.422 16.553 1.00 0.00 C ATOM 764 O THR A 48 1.028 -7.184 17.743 1.00 0.00 O ATOM 765 CB THR A 48 3.443 -7.843 16.194 1.00 0.00 C ATOM 766 OG1 THR A 48 4.253 -8.000 15.038 1.00 0.00 O ATOM 767 CG2 THR A 48 4.030 -8.656 17.349 1.00 0.00 C ATOM 0 H THR A 48 2.229 -7.393 13.985 1.00 0.00 H new ATOM 0 HA THR A 48 1.851 -9.342 16.271 1.00 0.00 H new ATOM 0 HB THR A 48 3.412 -6.790 16.475 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.161 -7.684 15.229 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.039 -8.306 17.564 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.406 -8.533 18.234 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.063 -9.710 17.072 1.00 0.00 H new ATOM 775 N SER A 49 0.066 -6.908 15.787 1.00 0.00 N ATOM 776 CA SER A 49 -0.968 -6.007 16.370 1.00 0.00 C ATOM 777 C SER A 49 -2.341 -6.687 16.350 1.00 0.00 C ATOM 778 O SER A 49 -3.353 -6.070 16.616 1.00 0.00 O ATOM 779 CB SER A 49 -0.971 -4.775 15.468 1.00 0.00 C ATOM 780 OG SER A 49 -0.234 -3.733 16.094 1.00 0.00 O ATOM 0 H SER A 49 -0.017 -7.073 14.784 1.00 0.00 H new ATOM 0 HA SER A 49 -0.755 -5.755 17.409 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.531 -5.017 14.501 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.994 -4.450 15.280 1.00 0.00 H new ATOM 0 HG SER A 49 -0.232 -2.941 15.517 1.00 0.00 H new ATOM 786 N GLN A 50 -2.386 -7.954 16.036 1.00 0.00 N ATOM 787 CA GLN A 50 -3.697 -8.664 16.002 1.00 0.00 C ATOM 788 C GLN A 50 -3.917 -9.436 17.306 1.00 0.00 C ATOM 789 O GLN A 50 -3.466 -9.031 18.359 1.00 0.00 O ATOM 790 CB GLN A 50 -3.595 -9.623 14.818 1.00 0.00 C ATOM 791 CG GLN A 50 -2.586 -10.721 15.148 1.00 0.00 C ATOM 792 CD GLN A 50 -2.668 -11.825 14.092 1.00 0.00 C ATOM 793 OE1 GLN A 50 -1.658 -12.271 13.584 1.00 0.00 O ATOM 794 NE2 GLN A 50 -3.835 -12.289 13.737 1.00 0.00 N ATOM 0 H GLN A 50 -1.575 -8.526 15.802 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.537 -7.977 15.898 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.570 -10.061 14.604 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.284 -9.084 13.923 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.578 -10.306 15.178 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -2.791 -11.133 16.136 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.683 -11.915 14.163 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.899 -13.025 13.034 1.00 0.00 H new ATOM 803 N VAL A 51 -4.607 -10.543 17.242 1.00 0.00 N ATOM 804 CA VAL A 51 -4.859 -11.345 18.477 1.00 0.00 C ATOM 805 C VAL A 51 -5.204 -10.419 19.653 1.00 0.00 C ATOM 806 O VAL A 51 -5.491 -9.253 19.470 1.00 0.00 O ATOM 807 CB VAL A 51 -3.548 -12.111 18.719 1.00 0.00 C ATOM 808 CG1 VAL A 51 -2.515 -11.211 19.406 1.00 0.00 C ATOM 809 CG2 VAL A 51 -3.825 -13.333 19.599 1.00 0.00 C ATOM 0 H VAL A 51 -5.008 -10.928 16.387 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.704 -12.026 18.375 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.148 -12.430 17.757 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.595 -11.772 19.568 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.307 -10.348 18.774 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.908 -10.873 20.365 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.896 -13.876 19.771 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.237 -13.008 20.554 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.540 -13.987 19.099 1.00 0.00 H new ATOM 819 N GLN A 52 -5.184 -10.927 20.856 1.00 0.00 N ATOM 820 CA GLN A 52 -5.514 -10.071 22.033 1.00 0.00 C ATOM 821 C GLN A 52 -5.137 -10.790 23.332 1.00 0.00 C ATOM 822 O GLN A 52 -5.987 -11.149 24.122 1.00 0.00 O ATOM 823 CB GLN A 52 -7.025 -9.856 21.958 1.00 0.00 C ATOM 824 CG GLN A 52 -7.730 -11.197 22.138 1.00 0.00 C ATOM 825 CD GLN A 52 -8.827 -11.063 23.197 1.00 0.00 C ATOM 826 OE1 GLN A 52 -9.478 -9.937 23.307 1.00 0.00 O flip ATOM 827 NE2 GLN A 52 -9.096 -11.994 23.931 1.00 0.00 N flip ATOM 0 H GLN A 52 -4.954 -11.896 21.075 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.969 -9.127 22.022 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.344 -9.157 22.731 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.295 -9.415 20.998 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.162 -11.522 21.192 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.011 -11.959 22.439 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.588 -12.874 23.846 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.830 -11.895 24.632 1.00 0.00 H new ATOM 836 N THR A 53 -3.869 -11.003 23.558 1.00 0.00 N ATOM 837 CA THR A 53 -3.440 -11.698 24.807 1.00 0.00 C ATOM 838 C THR A 53 -1.913 -11.675 24.929 1.00 0.00 C ATOM 839 O THR A 53 -1.229 -11.030 24.159 1.00 0.00 O ATOM 840 CB THR A 53 -3.944 -13.136 24.657 1.00 0.00 C ATOM 841 OG1 THR A 53 -3.578 -13.885 25.806 1.00 0.00 O ATOM 842 CG2 THR A 53 -3.321 -13.771 23.413 1.00 0.00 C ATOM 0 H THR A 53 -3.112 -10.726 22.933 1.00 0.00 H new ATOM 0 HA THR A 53 -3.838 -11.219 25.702 1.00 0.00 H new ATOM 0 HB THR A 53 -5.029 -13.132 24.554 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.782 -14.421 25.607 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.681 -14.794 23.308 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.602 -13.195 22.531 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.236 -13.776 23.512 1.00 0.00 H new ATOM 850 N GLU A 54 -1.375 -12.374 25.891 1.00 0.00 N ATOM 851 CA GLU A 54 0.106 -12.395 26.065 1.00 0.00 C ATOM 852 C GLU A 54 0.489 -13.360 27.191 1.00 0.00 C ATOM 853 O GLU A 54 1.230 -13.019 28.091 1.00 0.00 O ATOM 854 CB GLU A 54 0.483 -10.960 26.438 1.00 0.00 C ATOM 855 CG GLU A 54 1.855 -10.619 25.852 1.00 0.00 C ATOM 856 CD GLU A 54 2.517 -9.529 26.697 1.00 0.00 C ATOM 857 OE1 GLU A 54 2.345 -9.557 27.905 1.00 0.00 O ATOM 858 OE2 GLU A 54 3.185 -8.684 26.122 1.00 0.00 O ATOM 0 H GLU A 54 -1.898 -12.933 26.565 1.00 0.00 H new ATOM 0 HA GLU A 54 0.624 -12.731 25.166 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.268 -10.266 26.059 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.502 -10.849 27.522 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.484 -11.509 25.831 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.748 -10.280 24.822 1.00 0.00 H new ATOM 865 N ARG A 55 -0.019 -14.561 27.147 1.00 0.00 N ATOM 866 CA ARG A 55 0.308 -15.549 28.215 1.00 0.00 C ATOM 867 C ARG A 55 0.622 -16.915 27.596 1.00 0.00 C ATOM 868 O ARG A 55 -0.256 -17.612 27.127 1.00 0.00 O ATOM 869 CB ARG A 55 -0.954 -15.627 29.076 1.00 0.00 C ATOM 870 CG ARG A 55 -0.562 -15.827 30.541 1.00 0.00 C ATOM 871 CD ARG A 55 -0.586 -17.320 30.875 1.00 0.00 C ATOM 872 NE ARG A 55 -0.835 -17.383 32.342 1.00 0.00 N ATOM 873 CZ ARG A 55 -0.710 -18.518 32.975 1.00 0.00 C ATOM 874 NH1 ARG A 55 0.283 -19.315 32.692 1.00 0.00 N ATOM 875 NH2 ARG A 55 -1.580 -18.856 33.887 1.00 0.00 N ATOM 0 H ARG A 55 -0.646 -14.901 26.418 1.00 0.00 H new ATOM 0 HA ARG A 55 1.183 -15.257 28.796 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.538 -14.713 28.967 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.585 -16.451 28.742 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.432 -15.419 30.722 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.251 -15.287 31.190 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -1.369 -17.836 30.319 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.358 -17.798 30.614 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.103 -16.541 32.851 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.961 -19.051 31.977 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.382 -20.202 33.186 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.358 -18.233 34.105 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.482 -19.743 34.381 1.00 0.00 H new ATOM 889 N ASN A 56 1.869 -17.303 27.593 1.00 0.00 N ATOM 890 CA ASN A 56 2.240 -18.624 27.007 1.00 0.00 C ATOM 891 C ASN A 56 3.711 -18.931 27.300 1.00 0.00 C ATOM 892 O ASN A 56 4.502 -19.147 26.404 1.00 0.00 O ATOM 893 CB ASN A 56 2.014 -18.469 25.502 1.00 0.00 C ATOM 894 CG ASN A 56 0.628 -19.003 25.136 1.00 0.00 C ATOM 895 OD1 ASN A 56 -0.277 -18.177 24.686 1.00 0.00 O flip ATOM 896 ND2 ASN A 56 0.364 -20.182 25.261 1.00 0.00 N flip ATOM 0 H ASN A 56 2.647 -16.762 27.971 1.00 0.00 H new ATOM 0 HA ASN A 56 1.652 -19.442 27.423 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.098 -17.420 25.217 1.00 0.00 H new ATOM 0 HB3 ASN A 56 2.782 -19.012 24.950 1.00 0.00 H new ATOM 0 HD21 ASN A 56 1.070 -20.828 25.613 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.564 -20.526 25.014 1.00 0.00 H new ATOM 903 N ILE A 57 4.082 -18.943 28.550 1.00 0.00 N ATOM 904 CA ILE A 57 5.501 -19.227 28.908 1.00 0.00 C ATOM 905 C ILE A 57 5.804 -20.722 28.760 1.00 0.00 C ATOM 906 O ILE A 57 6.915 -21.164 28.977 1.00 0.00 O ATOM 907 CB ILE A 57 5.625 -18.792 30.369 1.00 0.00 C ATOM 908 CG1 ILE A 57 7.057 -19.032 30.855 1.00 0.00 C ATOM 909 CG2 ILE A 57 4.651 -19.602 31.227 1.00 0.00 C ATOM 910 CD1 ILE A 57 8.021 -18.155 30.053 1.00 0.00 C ATOM 0 H ILE A 57 3.463 -18.768 29.341 1.00 0.00 H new ATOM 0 HA ILE A 57 6.205 -18.703 28.261 1.00 0.00 H new ATOM 0 HB ILE A 57 5.387 -17.732 30.453 1.00 0.00 H new ATOM 0 HG12 ILE A 57 7.136 -18.800 31.917 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.321 -20.083 30.738 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.739 -19.292 32.268 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.632 -19.429 30.882 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.887 -20.663 31.143 1.00 0.00 H new ATOM 0 HD11 ILE A 57 9.041 -18.325 30.398 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.949 -18.408 28.995 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.761 -17.106 30.193 1.00 0.00 H new ATOM 922 N ASN A 58 4.826 -21.504 28.392 1.00 0.00 N ATOM 923 CA ASN A 58 5.061 -22.969 28.232 1.00 0.00 C ATOM 924 C ASN A 58 6.218 -23.223 27.261 1.00 0.00 C ATOM 925 O ASN A 58 6.828 -24.274 27.271 1.00 0.00 O ATOM 926 CB ASN A 58 3.752 -23.519 27.662 1.00 0.00 C ATOM 927 CG ASN A 58 3.546 -24.954 28.154 1.00 0.00 C ATOM 928 OD1 ASN A 58 4.488 -25.616 28.540 1.00 0.00 O ATOM 929 ND2 ASN A 58 2.345 -25.465 28.156 1.00 0.00 N ATOM 0 H ASN A 58 3.875 -21.193 28.195 1.00 0.00 H new ATOM 0 HA ASN A 58 5.331 -23.447 29.174 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.916 -22.893 27.973 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.779 -23.497 26.573 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.198 -26.420 28.482 1.00 0.00 H new ATOM 0 HD22 ASN A 58 1.554 -24.909 27.832 1.00 0.00 H new ATOM 936 N ARG A 59 6.523 -22.271 26.421 1.00 0.00 N ATOM 937 CA ARG A 59 7.641 -22.465 25.450 1.00 0.00 C ATOM 938 C ARG A 59 8.038 -21.129 24.817 1.00 0.00 C ATOM 939 O ARG A 59 7.482 -20.094 25.122 1.00 0.00 O ATOM 940 CB ARG A 59 7.079 -23.410 24.388 1.00 0.00 C ATOM 941 CG ARG A 59 5.701 -22.915 23.943 1.00 0.00 C ATOM 942 CD ARG A 59 5.121 -23.881 22.907 1.00 0.00 C ATOM 943 NE ARG A 59 4.391 -23.015 21.941 1.00 0.00 N ATOM 944 CZ ARG A 59 4.230 -23.405 20.707 1.00 0.00 C ATOM 945 NH1 ARG A 59 5.121 -23.102 19.803 1.00 0.00 N ATOM 946 NH2 ARG A 59 3.174 -24.098 20.376 1.00 0.00 N ATOM 0 H ARG A 59 6.049 -21.370 26.364 1.00 0.00 H new ATOM 0 HA ARG A 59 8.535 -22.866 25.928 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.754 -23.457 23.533 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.002 -24.421 24.789 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.034 -22.843 24.802 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.782 -21.915 23.518 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.909 -24.448 22.412 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.452 -24.604 23.373 1.00 0.00 H new ATOM 0 HE ARG A 59 4.017 -22.116 22.244 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.945 -22.559 20.061 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.993 -23.408 18.838 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.477 -24.333 21.082 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.046 -24.404 19.411 1.00 0.00 H new ATOM 960 N ALA A 60 8.999 -21.147 23.931 1.00 0.00 N ATOM 961 CA ALA A 60 9.433 -19.881 23.273 1.00 0.00 C ATOM 962 C ALA A 60 8.657 -19.672 21.970 1.00 0.00 C ATOM 963 O ALA A 60 7.682 -18.937 21.995 1.00 0.00 O ATOM 964 CB ALA A 60 10.922 -20.078 22.984 1.00 0.00 C ATOM 965 OXT ALA A 60 9.050 -20.248 20.970 1.00 0.00 O ATOM 0 H ALA A 60 9.502 -21.984 23.635 1.00 0.00 H new ATOM 0 HA ALA A 60 9.250 -19.006 23.896 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.319 -19.187 22.498 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.455 -20.249 23.919 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.055 -20.939 22.328 1.00 0.00 H new TER 971 ALA A 60 ATOM 972 N MET B 1 36.031 -19.898 -2.185 1.00 0.00 N ATOM 973 CA MET B 1 34.859 -19.805 -1.262 1.00 0.00 C ATOM 974 C MET B 1 33.570 -20.148 -2.015 1.00 0.00 C ATOM 975 O MET B 1 32.702 -20.829 -1.504 1.00 0.00 O ATOM 976 CB MET B 1 34.830 -18.350 -0.790 1.00 0.00 C ATOM 977 CG MET B 1 34.289 -18.288 0.639 1.00 0.00 C ATOM 978 SD MET B 1 34.839 -16.753 1.425 1.00 0.00 S ATOM 979 CE MET B 1 33.198 -16.082 1.781 1.00 0.00 C ATOM 0 H1 MET B 1 36.910 -19.764 -1.645 1.00 0.00 H new ATOM 0 H2 MET B 1 36.043 -20.834 -2.638 1.00 0.00 H new ATOM 0 H3 MET B 1 35.957 -19.161 -2.915 1.00 0.00 H new ATOM 0 HA MET B 1 34.939 -20.500 -0.426 1.00 0.00 H new ATOM 0 HB2 MET B 1 35.832 -17.924 -0.829 1.00 0.00 H new ATOM 0 HB3 MET B 1 34.204 -17.754 -1.454 1.00 0.00 H new ATOM 0 HG2 MET B 1 33.200 -18.335 0.630 1.00 0.00 H new ATOM 0 HG3 MET B 1 34.640 -19.148 1.210 1.00 0.00 H new ATOM 0 HE1 MET B 1 33.299 -15.117 2.277 1.00 0.00 H new ATOM 0 HE2 MET B 1 32.647 -15.955 0.849 1.00 0.00 H new ATOM 0 HE3 MET B 1 32.657 -16.769 2.432 1.00 0.00 H new ATOM 991 N GLY B 2 33.440 -19.678 -3.225 1.00 0.00 N ATOM 992 CA GLY B 2 32.212 -19.974 -4.015 1.00 0.00 C ATOM 993 C GLY B 2 32.331 -19.328 -5.397 1.00 0.00 C ATOM 994 O GLY B 2 32.709 -18.179 -5.515 1.00 0.00 O ATOM 0 H GLY B 2 34.133 -19.101 -3.702 1.00 0.00 H new ATOM 0 HA2 GLY B 2 32.081 -21.051 -4.115 1.00 0.00 H new ATOM 0 HA3 GLY B 2 31.332 -19.592 -3.497 1.00 0.00 H new ATOM 998 N PRO B 3 32.004 -20.094 -6.405 1.00 0.00 N ATOM 999 CA PRO B 3 32.074 -19.589 -7.799 1.00 0.00 C ATOM 1000 C PRO B 3 30.893 -18.661 -8.062 1.00 0.00 C ATOM 1001 O PRO B 3 30.993 -17.679 -8.770 1.00 0.00 O ATOM 1002 CB PRO B 3 31.930 -20.851 -8.642 1.00 0.00 C ATOM 1003 CG PRO B 3 31.174 -21.805 -7.772 1.00 0.00 C ATOM 1004 CD PRO B 3 31.540 -21.485 -6.346 1.00 0.00 C ATOM 0 HA PRO B 3 32.986 -19.032 -8.012 1.00 0.00 H new ATOM 0 HB2 PRO B 3 31.393 -20.649 -9.569 1.00 0.00 H new ATOM 0 HB3 PRO B 3 32.904 -21.255 -8.920 1.00 0.00 H new ATOM 0 HG2 PRO B 3 30.100 -21.701 -7.927 1.00 0.00 H new ATOM 0 HG3 PRO B 3 31.432 -22.836 -8.014 1.00 0.00 H new ATOM 0 HD2 PRO B 3 30.684 -21.593 -5.680 1.00 0.00 H new ATOM 0 HD3 PRO B 3 32.319 -22.151 -5.974 1.00 0.00 H new ATOM 1012 N LEU B 4 29.768 -18.992 -7.500 1.00 0.00 N ATOM 1013 CA LEU B 4 28.544 -18.173 -7.698 1.00 0.00 C ATOM 1014 C LEU B 4 27.664 -18.271 -6.457 1.00 0.00 C ATOM 1015 O LEU B 4 28.117 -18.651 -5.396 1.00 0.00 O ATOM 1016 CB LEU B 4 27.841 -18.834 -8.881 1.00 0.00 C ATOM 1017 CG LEU B 4 27.506 -17.779 -9.936 1.00 0.00 C ATOM 1018 CD1 LEU B 4 28.756 -17.467 -10.760 1.00 0.00 C ATOM 1019 CD2 LEU B 4 26.408 -18.312 -10.858 1.00 0.00 C ATOM 0 H LEU B 4 29.643 -19.809 -6.902 1.00 0.00 H new ATOM 0 HA LEU B 4 28.759 -17.119 -7.871 1.00 0.00 H new ATOM 0 HB2 LEU B 4 28.481 -19.604 -9.313 1.00 0.00 H new ATOM 0 HB3 LEU B 4 26.930 -19.328 -8.545 1.00 0.00 H new ATOM 0 HG LEU B 4 27.159 -16.870 -9.444 1.00 0.00 H new ATOM 0 HD11 LEU B 4 28.518 -16.715 -11.512 1.00 0.00 H new ATOM 0 HD12 LEU B 4 29.539 -17.088 -10.104 1.00 0.00 H new ATOM 0 HD13 LEU B 4 29.103 -18.375 -11.252 1.00 0.00 H new ATOM 0 HD21 LEU B 4 26.168 -17.561 -11.611 1.00 0.00 H new ATOM 0 HD22 LEU B 4 26.755 -19.221 -11.350 1.00 0.00 H new ATOM 0 HD23 LEU B 4 25.517 -18.535 -10.271 1.00 0.00 H new ATOM 1031 N GLN B 5 26.403 -17.974 -6.584 1.00 0.00 N ATOM 1032 CA GLN B 5 25.503 -18.102 -5.409 1.00 0.00 C ATOM 1033 C GLN B 5 25.199 -19.586 -5.203 1.00 0.00 C ATOM 1034 O GLN B 5 24.061 -20.010 -5.225 1.00 0.00 O ATOM 1035 CB GLN B 5 24.235 -17.334 -5.782 1.00 0.00 C ATOM 1036 CG GLN B 5 23.261 -17.358 -4.602 1.00 0.00 C ATOM 1037 CD GLN B 5 21.993 -16.586 -4.968 1.00 0.00 C ATOM 1038 OE1 GLN B 5 22.000 -15.778 -5.875 1.00 0.00 O ATOM 1039 NE2 GLN B 5 20.895 -16.805 -4.296 1.00 0.00 N ATOM 0 H GLN B 5 25.960 -17.651 -7.444 1.00 0.00 H new ATOM 0 HA GLN B 5 25.935 -17.711 -4.488 1.00 0.00 H new ATOM 0 HB2 GLN B 5 24.483 -16.305 -6.042 1.00 0.00 H new ATOM 0 HB3 GLN B 5 23.770 -17.782 -6.660 1.00 0.00 H new ATOM 0 HG2 GLN B 5 23.011 -18.387 -4.345 1.00 0.00 H new ATOM 0 HG3 GLN B 5 23.728 -16.914 -3.723 1.00 0.00 H new ATOM 0 HE21 GLN B 5 20.890 -17.484 -3.535 1.00 0.00 H new ATOM 0 HE22 GLN B 5 20.042 -16.297 -4.533 1.00 0.00 H new ATOM 1048 N TYR B 6 26.224 -20.379 -5.035 1.00 0.00 N ATOM 1049 CA TYR B 6 26.027 -21.843 -4.861 1.00 0.00 C ATOM 1050 C TYR B 6 24.804 -22.128 -3.986 1.00 0.00 C ATOM 1051 O TYR B 6 24.603 -21.513 -2.958 1.00 0.00 O ATOM 1052 CB TYR B 6 27.300 -22.335 -4.174 1.00 0.00 C ATOM 1053 CG TYR B 6 27.667 -23.696 -4.714 1.00 0.00 C ATOM 1054 CD1 TYR B 6 26.859 -24.803 -4.429 1.00 0.00 C ATOM 1055 CD2 TYR B 6 28.816 -23.851 -5.500 1.00 0.00 C ATOM 1056 CE1 TYR B 6 27.199 -26.065 -4.930 1.00 0.00 C ATOM 1057 CE2 TYR B 6 29.156 -25.113 -6.000 1.00 0.00 C ATOM 1058 CZ TYR B 6 28.347 -26.219 -5.716 1.00 0.00 C ATOM 1059 OH TYR B 6 28.684 -27.464 -6.208 1.00 0.00 O ATOM 0 H TYR B 6 27.196 -20.070 -5.011 1.00 0.00 H new ATOM 0 HA TYR B 6 25.852 -22.344 -5.813 1.00 0.00 H new ATOM 0 HB2 TYR B 6 28.115 -21.631 -4.346 1.00 0.00 H new ATOM 0 HB3 TYR B 6 27.147 -22.388 -3.096 1.00 0.00 H new ATOM 0 HD1 TYR B 6 25.973 -24.683 -3.823 1.00 0.00 H new ATOM 0 HD2 TYR B 6 29.439 -22.997 -5.720 1.00 0.00 H new ATOM 0 HE1 TYR B 6 26.576 -26.919 -4.710 1.00 0.00 H new ATOM 0 HE2 TYR B 6 30.043 -25.233 -6.605 1.00 0.00 H new ATOM 0 HH TYR B 6 29.508 -27.396 -6.734 1.00 0.00 H new ATOM 1069 N LYS B 7 23.987 -23.064 -4.388 1.00 0.00 N ATOM 1070 CA LYS B 7 22.775 -23.406 -3.586 1.00 0.00 C ATOM 1071 C LYS B 7 21.837 -24.289 -4.414 1.00 0.00 C ATOM 1072 O LYS B 7 21.721 -25.476 -4.183 1.00 0.00 O ATOM 1073 CB LYS B 7 22.105 -22.068 -3.263 1.00 0.00 C ATOM 1074 CG LYS B 7 22.103 -21.853 -1.750 1.00 0.00 C ATOM 1075 CD LYS B 7 21.087 -22.798 -1.103 1.00 0.00 C ATOM 1076 CE LYS B 7 19.940 -21.981 -0.504 1.00 0.00 C ATOM 1077 NZ LYS B 7 19.146 -22.959 0.291 1.00 0.00 N ATOM 0 H LYS B 7 24.107 -23.610 -5.241 1.00 0.00 H new ATOM 0 HA LYS B 7 23.024 -23.957 -2.679 1.00 0.00 H new ATOM 0 HB2 LYS B 7 22.637 -21.254 -3.756 1.00 0.00 H new ATOM 0 HB3 LYS B 7 21.084 -22.059 -3.644 1.00 0.00 H new ATOM 0 HG2 LYS B 7 23.098 -22.038 -1.344 1.00 0.00 H new ATOM 0 HG3 LYS B 7 21.852 -20.818 -1.519 1.00 0.00 H new ATOM 0 HD2 LYS B 7 20.701 -23.497 -1.845 1.00 0.00 H new ATOM 0 HD3 LYS B 7 21.569 -23.391 -0.326 1.00 0.00 H new ATOM 0 HE2 LYS B 7 20.316 -21.174 0.125 1.00 0.00 H new ATOM 0 HE3 LYS B 7 19.333 -21.521 -1.284 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 18.340 -22.473 0.734 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 18.795 -23.712 -0.335 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 19.748 -23.375 1.030 1.00 0.00 H new ATOM 1091 N ASP B 8 21.170 -23.717 -5.380 1.00 0.00 N ATOM 1092 CA ASP B 8 20.243 -24.520 -6.227 1.00 0.00 C ATOM 1093 C ASP B 8 19.608 -23.632 -7.301 1.00 0.00 C ATOM 1094 O ASP B 8 20.220 -22.708 -7.797 1.00 0.00 O ATOM 1095 CB ASP B 8 19.177 -25.046 -5.264 1.00 0.00 C ATOM 1096 CG ASP B 8 18.893 -26.518 -5.569 1.00 0.00 C ATOM 1097 OD1 ASP B 8 19.341 -26.986 -6.604 1.00 0.00 O ATOM 1098 OD2 ASP B 8 18.231 -27.153 -4.765 1.00 0.00 O ATOM 0 H ASP B 8 21.227 -22.727 -5.619 1.00 0.00 H new ATOM 0 HA ASP B 8 20.755 -25.330 -6.746 1.00 0.00 H new ATOM 0 HB2 ASP B 8 19.517 -24.936 -4.234 1.00 0.00 H new ATOM 0 HB3 ASP B 8 18.263 -24.461 -5.362 1.00 0.00 H new ATOM 1103 N LEU B 9 18.387 -23.907 -7.663 1.00 0.00 N ATOM 1104 CA LEU B 9 17.713 -23.080 -8.704 1.00 0.00 C ATOM 1105 C LEU B 9 18.573 -23.008 -9.966 1.00 0.00 C ATOM 1106 O LEU B 9 19.419 -22.149 -10.110 1.00 0.00 O ATOM 1107 CB LEU B 9 17.561 -21.695 -8.073 1.00 0.00 C ATOM 1108 CG LEU B 9 16.989 -21.833 -6.660 1.00 0.00 C ATOM 1109 CD1 LEU B 9 16.471 -20.475 -6.188 1.00 0.00 C ATOM 1110 CD2 LEU B 9 15.838 -22.844 -6.668 1.00 0.00 C ATOM 0 H LEU B 9 17.825 -24.669 -7.283 1.00 0.00 H new ATOM 0 HA LEU B 9 16.752 -23.498 -9.004 1.00 0.00 H new ATOM 0 HB2 LEU B 9 18.528 -21.193 -8.037 1.00 0.00 H new ATOM 0 HB3 LEU B 9 16.903 -21.077 -8.684 1.00 0.00 H new ATOM 0 HG LEU B 9 17.770 -22.181 -5.984 1.00 0.00 H new ATOM 0 HD11 LEU B 9 16.063 -20.571 -5.182 1.00 0.00 H new ATOM 0 HD12 LEU B 9 17.290 -19.756 -6.181 1.00 0.00 H new ATOM 0 HD13 LEU B 9 15.690 -20.128 -6.865 1.00 0.00 H new ATOM 0 HD21 LEU B 9 15.432 -22.941 -5.661 1.00 0.00 H new ATOM 0 HD22 LEU B 9 15.055 -22.499 -7.343 1.00 0.00 H new ATOM 0 HD23 LEU B 9 16.207 -23.813 -7.005 1.00 0.00 H new ATOM 1122 N LYS B 10 18.361 -23.912 -10.880 1.00 0.00 N ATOM 1123 CA LYS B 10 19.157 -23.913 -12.139 1.00 0.00 C ATOM 1124 C LYS B 10 18.272 -24.323 -13.315 1.00 0.00 C ATOM 1125 O LYS B 10 18.745 -24.564 -14.408 1.00 0.00 O ATOM 1126 CB LYS B 10 20.273 -24.944 -11.924 1.00 0.00 C ATOM 1127 CG LYS B 10 19.744 -26.148 -11.135 1.00 0.00 C ATOM 1128 CD LYS B 10 18.859 -27.013 -12.033 1.00 0.00 C ATOM 1129 CE LYS B 10 19.493 -28.395 -12.188 1.00 0.00 C ATOM 1130 NZ LYS B 10 18.701 -29.285 -11.293 1.00 0.00 N ATOM 0 H LYS B 10 17.666 -24.655 -10.809 1.00 0.00 H new ATOM 0 HA LYS B 10 19.563 -22.927 -12.365 1.00 0.00 H new ATOM 0 HB2 LYS B 10 20.662 -25.275 -12.887 1.00 0.00 H new ATOM 0 HB3 LYS B 10 21.102 -24.485 -11.386 1.00 0.00 H new ATOM 0 HG2 LYS B 10 20.577 -26.738 -10.754 1.00 0.00 H new ATOM 0 HG3 LYS B 10 19.175 -25.805 -10.271 1.00 0.00 H new ATOM 0 HD2 LYS B 10 17.862 -27.104 -11.601 1.00 0.00 H new ATOM 0 HD3 LYS B 10 18.742 -26.543 -13.009 1.00 0.00 H new ATOM 0 HE2 LYS B 10 19.449 -28.736 -13.223 1.00 0.00 H new ATOM 0 HE3 LYS B 10 20.544 -28.381 -11.901 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 19.077 -30.253 -11.345 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 18.767 -28.940 -10.314 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 17.706 -29.284 -11.594 1.00 0.00 H new ATOM 1144 N ILE B 11 16.990 -24.408 -13.096 1.00 0.00 N ATOM 1145 CA ILE B 11 16.071 -24.809 -14.199 1.00 0.00 C ATOM 1146 C ILE B 11 15.074 -23.697 -14.500 1.00 0.00 C ATOM 1147 O ILE B 11 15.335 -22.802 -15.279 1.00 0.00 O ATOM 1148 CB ILE B 11 15.334 -26.067 -13.713 1.00 0.00 C ATOM 1149 CG1 ILE B 11 15.223 -26.070 -12.182 1.00 0.00 C ATOM 1150 CG2 ILE B 11 16.091 -27.307 -14.175 1.00 0.00 C ATOM 1151 CD1 ILE B 11 14.264 -27.177 -11.742 1.00 0.00 C ATOM 0 H ILE B 11 16.538 -24.217 -12.202 1.00 0.00 H new ATOM 0 HA ILE B 11 16.625 -25.002 -15.118 1.00 0.00 H new ATOM 0 HB ILE B 11 14.328 -26.071 -14.134 1.00 0.00 H new ATOM 0 HG12 ILE B 11 16.205 -26.227 -11.736 1.00 0.00 H new ATOM 0 HG13 ILE B 11 14.864 -25.103 -11.831 1.00 0.00 H new ATOM 0 HG21 ILE B 11 15.570 -28.201 -13.831 1.00 0.00 H new ATOM 0 HG22 ILE B 11 16.146 -27.315 -15.264 1.00 0.00 H new ATOM 0 HG23 ILE B 11 17.099 -27.293 -13.761 1.00 0.00 H new ATOM 0 HD11 ILE B 11 14.185 -27.179 -10.655 1.00 0.00 H new ATOM 0 HD12 ILE B 11 13.280 -27.000 -12.177 1.00 0.00 H new ATOM 0 HD13 ILE B 11 14.642 -28.142 -12.080 1.00 0.00 H new ATOM 1163 N ASP B 12 13.929 -23.760 -13.896 1.00 0.00 N ATOM 1164 CA ASP B 12 12.893 -22.724 -14.142 1.00 0.00 C ATOM 1165 C ASP B 12 13.417 -21.339 -13.755 1.00 0.00 C ATOM 1166 O ASP B 12 14.607 -21.097 -13.738 1.00 0.00 O ATOM 1167 CB ASP B 12 11.719 -23.122 -13.247 1.00 0.00 C ATOM 1168 CG ASP B 12 11.269 -24.540 -13.600 1.00 0.00 C ATOM 1169 OD1 ASP B 12 12.026 -25.234 -14.257 1.00 0.00 O ATOM 1170 OD2 ASP B 12 10.173 -24.907 -13.208 1.00 0.00 O ATOM 0 H ASP B 12 13.661 -24.490 -13.236 1.00 0.00 H new ATOM 0 HA ASP B 12 12.608 -22.669 -15.193 1.00 0.00 H new ATOM 0 HB2 ASP B 12 12.014 -23.073 -12.199 1.00 0.00 H new ATOM 0 HB3 ASP B 12 10.893 -22.423 -13.379 1.00 0.00 H new ATOM 1175 N ILE B 13 12.535 -20.429 -13.440 1.00 0.00 N ATOM 1176 CA ILE B 13 12.981 -19.059 -13.050 1.00 0.00 C ATOM 1177 C ILE B 13 12.649 -18.798 -11.578 1.00 0.00 C ATOM 1178 O ILE B 13 11.682 -19.312 -11.052 1.00 0.00 O ATOM 1179 CB ILE B 13 12.197 -18.112 -13.959 1.00 0.00 C ATOM 1180 CG1 ILE B 13 10.702 -18.237 -13.659 1.00 0.00 C ATOM 1181 CG2 ILE B 13 12.450 -18.481 -15.421 1.00 0.00 C ATOM 1182 CD1 ILE B 13 10.241 -17.024 -12.847 1.00 0.00 C ATOM 0 H ILE B 13 11.525 -20.574 -13.436 1.00 0.00 H new ATOM 0 HA ILE B 13 14.057 -18.925 -13.160 1.00 0.00 H new ATOM 0 HB ILE B 13 12.522 -17.087 -13.779 1.00 0.00 H new ATOM 0 HG12 ILE B 13 10.138 -18.301 -14.589 1.00 0.00 H new ATOM 0 HG13 ILE B 13 10.507 -19.155 -13.104 1.00 0.00 H new ATOM 0 HG21 ILE B 13 11.891 -17.806 -16.069 1.00 0.00 H new ATOM 0 HG22 ILE B 13 13.514 -18.395 -15.639 1.00 0.00 H new ATOM 0 HG23 ILE B 13 12.125 -19.506 -15.599 1.00 0.00 H new ATOM 0 HD11 ILE B 13 9.176 -17.113 -12.633 1.00 0.00 H new ATOM 0 HD12 ILE B 13 10.797 -16.981 -11.910 1.00 0.00 H new ATOM 0 HD13 ILE B 13 10.422 -16.114 -13.419 1.00 0.00 H new ATOM 1194 N LYS B 14 13.445 -18.010 -10.908 1.00 0.00 N ATOM 1195 CA LYS B 14 13.172 -17.728 -9.469 1.00 0.00 C ATOM 1196 C LYS B 14 13.922 -16.472 -9.016 1.00 0.00 C ATOM 1197 O LYS B 14 14.390 -16.388 -7.897 1.00 0.00 O ATOM 1198 CB LYS B 14 13.692 -18.957 -8.724 1.00 0.00 C ATOM 1199 CG LYS B 14 12.625 -19.451 -7.746 1.00 0.00 C ATOM 1200 CD LYS B 14 11.810 -20.567 -8.403 1.00 0.00 C ATOM 1201 CE LYS B 14 11.683 -21.746 -7.436 1.00 0.00 C ATOM 1202 NZ LYS B 14 10.282 -22.228 -7.600 1.00 0.00 N ATOM 0 H LYS B 14 14.270 -17.550 -11.293 1.00 0.00 H new ATOM 0 HA LYS B 14 12.114 -17.547 -9.279 1.00 0.00 H new ATOM 0 HB2 LYS B 14 13.943 -19.746 -9.433 1.00 0.00 H new ATOM 0 HB3 LYS B 14 14.607 -18.709 -8.186 1.00 0.00 H new ATOM 0 HG2 LYS B 14 13.095 -19.818 -6.833 1.00 0.00 H new ATOM 0 HG3 LYS B 14 11.970 -18.628 -7.459 1.00 0.00 H new ATOM 0 HD2 LYS B 14 10.821 -20.198 -8.674 1.00 0.00 H new ATOM 0 HD3 LYS B 14 12.294 -20.890 -9.325 1.00 0.00 H new ATOM 0 HE2 LYS B 14 12.401 -22.531 -7.674 1.00 0.00 H new ATOM 0 HE3 LYS B 14 11.877 -21.437 -6.409 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 10.117 -23.038 -6.968 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 9.621 -21.462 -7.360 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 10.129 -22.522 -8.586 1.00 0.00 H new ATOM 1216 N THR B 15 14.040 -15.496 -9.871 1.00 0.00 N ATOM 1217 CA THR B 15 14.759 -14.251 -9.478 1.00 0.00 C ATOM 1218 C THR B 15 14.040 -13.018 -10.039 1.00 0.00 C ATOM 1219 O THR B 15 14.075 -12.760 -11.225 1.00 0.00 O ATOM 1220 CB THR B 15 16.153 -14.385 -10.084 1.00 0.00 C ATOM 1221 OG1 THR B 15 16.049 -14.833 -11.429 1.00 0.00 O ATOM 1222 CG2 THR B 15 16.968 -15.387 -9.264 1.00 0.00 C ATOM 0 H THR B 15 13.671 -15.505 -10.822 1.00 0.00 H new ATOM 0 HA THR B 15 14.799 -14.125 -8.396 1.00 0.00 H new ATOM 0 HB THR B 15 16.652 -13.416 -10.070 1.00 0.00 H new ATOM 0 HG1 THR B 15 15.280 -14.403 -11.858 1.00 0.00 H new ATOM 0 HG21 THR B 15 17.964 -15.485 -9.695 1.00 0.00 H new ATOM 0 HG22 THR B 15 17.050 -15.034 -8.236 1.00 0.00 H new ATOM 0 HG23 THR B 15 16.471 -16.357 -9.276 1.00 0.00 H new ATOM 1230 N SER B 16 13.386 -12.258 -9.195 1.00 0.00 N ATOM 1231 CA SER B 16 12.670 -11.043 -9.687 1.00 0.00 C ATOM 1232 C SER B 16 13.707 -10.054 -10.309 1.00 0.00 C ATOM 1233 O SER B 16 14.386 -10.477 -11.223 1.00 0.00 O ATOM 1234 CB SER B 16 11.900 -10.536 -8.469 1.00 0.00 C ATOM 1235 OG SER B 16 11.010 -11.555 -8.032 1.00 0.00 O ATOM 0 H SER B 16 13.318 -12.426 -8.191 1.00 0.00 H new ATOM 0 HA SER B 16 11.960 -11.211 -10.497 1.00 0.00 H new ATOM 0 HB2 SER B 16 12.591 -10.271 -7.669 1.00 0.00 H new ATOM 0 HB3 SER B 16 11.344 -9.633 -8.723 1.00 0.00 H new ATOM 0 HG SER B 16 10.512 -11.240 -7.249 1.00 0.00 H new ATOM 1241 N PRO B 17 13.867 -8.786 -9.892 1.00 0.00 N ATOM 1242 CA PRO B 17 13.170 -8.052 -8.818 1.00 0.00 C ATOM 1243 C PRO B 17 12.279 -6.969 -9.419 1.00 0.00 C ATOM 1244 O PRO B 17 12.244 -5.866 -8.911 1.00 0.00 O ATOM 1245 CB PRO B 17 14.332 -7.316 -8.165 1.00 0.00 C ATOM 1246 CG PRO B 17 15.365 -7.178 -9.242 1.00 0.00 C ATOM 1247 CD PRO B 17 14.816 -7.861 -10.453 1.00 0.00 C ATOM 0 HA PRO B 17 12.567 -8.696 -8.177 1.00 0.00 H new ATOM 0 HB2 PRO B 17 14.020 -6.341 -7.791 1.00 0.00 H new ATOM 0 HB3 PRO B 17 14.723 -7.874 -7.314 1.00 0.00 H new ATOM 0 HG2 PRO B 17 15.570 -6.128 -9.449 1.00 0.00 H new ATOM 0 HG3 PRO B 17 16.307 -7.632 -8.935 1.00 0.00 H new ATOM 0 HD2 PRO B 17 14.340 -7.156 -11.134 1.00 0.00 H new ATOM 0 HD3 PRO B 17 15.595 -8.373 -11.017 1.00 0.00 H new ATOM 1255 N PRO B 18 11.634 -7.269 -10.506 1.00 0.00 N ATOM 1256 CA PRO B 18 10.820 -6.239 -11.164 1.00 0.00 C ATOM 1257 C PRO B 18 9.723 -5.686 -10.233 1.00 0.00 C ATOM 1258 O PRO B 18 9.446 -4.505 -10.288 1.00 0.00 O ATOM 1259 CB PRO B 18 10.334 -6.929 -12.435 1.00 0.00 C ATOM 1260 CG PRO B 18 10.399 -8.386 -12.135 1.00 0.00 C ATOM 1261 CD PRO B 18 11.574 -8.553 -11.213 1.00 0.00 C ATOM 0 HA PRO B 18 11.365 -5.329 -11.415 1.00 0.00 H new ATOM 0 HB2 PRO B 18 9.318 -6.623 -12.686 1.00 0.00 H new ATOM 0 HB3 PRO B 18 10.963 -6.674 -13.287 1.00 0.00 H new ATOM 0 HG2 PRO B 18 9.478 -8.731 -11.664 1.00 0.00 H new ATOM 0 HG3 PRO B 18 10.529 -8.969 -13.047 1.00 0.00 H new ATOM 0 HD2 PRO B 18 11.429 -9.385 -10.524 1.00 0.00 H new ATOM 0 HD3 PRO B 18 12.493 -8.752 -11.765 1.00 0.00 H new ATOM 1269 N PRO B 19 9.178 -6.496 -9.348 1.00 0.00 N ATOM 1270 CA PRO B 19 8.198 -5.949 -8.387 1.00 0.00 C ATOM 1271 C PRO B 19 8.996 -5.178 -7.332 1.00 0.00 C ATOM 1272 O PRO B 19 9.222 -5.655 -6.239 1.00 0.00 O ATOM 1273 CB PRO B 19 7.534 -7.183 -7.789 1.00 0.00 C ATOM 1274 CG PRO B 19 8.538 -8.278 -7.951 1.00 0.00 C ATOM 1275 CD PRO B 19 9.388 -7.937 -9.152 1.00 0.00 C ATOM 0 HA PRO B 19 7.454 -5.277 -8.815 1.00 0.00 H new ATOM 0 HB2 PRO B 19 7.285 -7.028 -6.739 1.00 0.00 H new ATOM 0 HB3 PRO B 19 6.604 -7.420 -8.306 1.00 0.00 H new ATOM 0 HG2 PRO B 19 9.155 -8.368 -7.057 1.00 0.00 H new ATOM 0 HG3 PRO B 19 8.040 -9.237 -8.093 1.00 0.00 H new ATOM 0 HD2 PRO B 19 10.439 -8.165 -8.973 1.00 0.00 H new ATOM 0 HD3 PRO B 19 9.083 -8.507 -10.030 1.00 0.00 H new ATOM 1283 N GLU B 20 9.477 -4.017 -7.695 1.00 0.00 N ATOM 1284 CA GLU B 20 10.332 -3.193 -6.776 1.00 0.00 C ATOM 1285 C GLU B 20 9.671 -2.897 -5.424 1.00 0.00 C ATOM 1286 O GLU B 20 9.590 -1.757 -5.018 1.00 0.00 O ATOM 1287 CB GLU B 20 10.565 -1.882 -7.533 1.00 0.00 C ATOM 1288 CG GLU B 20 9.256 -1.411 -8.173 1.00 0.00 C ATOM 1289 CD GLU B 20 9.002 0.049 -7.797 1.00 0.00 C ATOM 1290 OE1 GLU B 20 9.928 0.836 -7.900 1.00 0.00 O ATOM 1291 OE2 GLU B 20 7.885 0.355 -7.410 1.00 0.00 O ATOM 0 H GLU B 20 9.312 -3.593 -8.608 1.00 0.00 H new ATOM 0 HA GLU B 20 11.247 -3.733 -6.533 1.00 0.00 H new ATOM 0 HB2 GLU B 20 10.941 -1.120 -6.851 1.00 0.00 H new ATOM 0 HB3 GLU B 20 11.325 -2.025 -8.301 1.00 0.00 H new ATOM 0 HG2 GLU B 20 9.311 -1.514 -9.257 1.00 0.00 H new ATOM 0 HG3 GLU B 20 8.428 -2.034 -7.835 1.00 0.00 H new ATOM 1298 N CYS B 21 9.248 -3.889 -4.691 1.00 0.00 N ATOM 1299 CA CYS B 21 8.667 -3.575 -3.347 1.00 0.00 C ATOM 1300 C CYS B 21 9.814 -3.372 -2.352 1.00 0.00 C ATOM 1301 O CYS B 21 9.709 -2.592 -1.427 1.00 0.00 O ATOM 1302 CB CYS B 21 7.713 -4.708 -2.889 1.00 0.00 C ATOM 1303 SG CYS B 21 7.842 -6.198 -3.917 1.00 0.00 S ATOM 0 H CYS B 21 9.275 -4.875 -4.949 1.00 0.00 H new ATOM 0 HA CYS B 21 8.077 -2.660 -3.401 1.00 0.00 H new ATOM 0 HB2 CYS B 21 7.935 -4.967 -1.854 1.00 0.00 H new ATOM 0 HB3 CYS B 21 6.686 -4.344 -2.913 1.00 0.00 H new ATOM 0 HG CYS B 21 8.013 -5.855 -5.159 1.00 0.00 H new ATOM 1309 N ILE B 22 10.919 -4.055 -2.544 1.00 0.00 N ATOM 1310 CA ILE B 22 12.078 -3.876 -1.615 1.00 0.00 C ATOM 1311 C ILE B 22 12.857 -2.624 -1.975 1.00 0.00 C ATOM 1312 O ILE B 22 13.108 -1.775 -1.155 1.00 0.00 O ATOM 1313 CB ILE B 22 13.010 -5.068 -1.823 1.00 0.00 C ATOM 1314 CG1 ILE B 22 12.314 -6.416 -1.602 1.00 0.00 C ATOM 1315 CG2 ILE B 22 14.176 -4.946 -0.852 1.00 0.00 C ATOM 1316 CD1 ILE B 22 10.899 -6.244 -1.034 1.00 0.00 C ATOM 0 H ILE B 22 11.067 -4.724 -3.299 1.00 0.00 H new ATOM 0 HA ILE B 22 11.718 -3.798 -0.589 1.00 0.00 H new ATOM 0 HB ILE B 22 13.347 -5.047 -2.859 1.00 0.00 H new ATOM 0 HG12 ILE B 22 12.262 -6.957 -2.547 1.00 0.00 H new ATOM 0 HG13 ILE B 22 12.908 -7.023 -0.919 1.00 0.00 H new ATOM 0 HG21 ILE B 22 14.852 -5.790 -0.987 1.00 0.00 H new ATOM 0 HG22 ILE B 22 14.713 -4.017 -1.043 1.00 0.00 H new ATOM 0 HG23 ILE B 22 13.799 -4.943 0.171 1.00 0.00 H new ATOM 0 HD11 ILE B 22 10.442 -7.223 -0.893 1.00 0.00 H new ATOM 0 HD12 ILE B 22 10.952 -5.727 -0.076 1.00 0.00 H new ATOM 0 HD13 ILE B 22 10.296 -5.659 -1.729 1.00 0.00 H new ATOM 1328 N ASN B 23 13.283 -2.519 -3.196 1.00 0.00 N ATOM 1329 CA ASN B 23 14.075 -1.317 -3.571 1.00 0.00 C ATOM 1330 C ASN B 23 13.205 -0.069 -3.456 1.00 0.00 C ATOM 1331 O ASN B 23 13.574 0.885 -2.806 1.00 0.00 O ATOM 1332 CB ASN B 23 14.548 -1.531 -5.006 1.00 0.00 C ATOM 1333 CG ASN B 23 13.358 -1.561 -5.955 1.00 0.00 C ATOM 1334 OD1 ASN B 23 12.301 -2.041 -5.607 1.00 0.00 O ATOM 1335 ND2 ASN B 23 13.494 -1.060 -7.153 1.00 0.00 N ATOM 0 H ASN B 23 13.123 -3.197 -3.941 1.00 0.00 H new ATOM 0 HA ASN B 23 14.930 -1.176 -2.910 1.00 0.00 H new ATOM 0 HB2 ASN B 23 15.231 -0.732 -5.294 1.00 0.00 H new ATOM 0 HB3 ASN B 23 15.103 -2.466 -5.078 1.00 0.00 H new ATOM 0 HD21 ASN B 23 12.708 -1.071 -7.803 1.00 0.00 H new ATOM 0 HD22 ASN B 23 14.386 -0.658 -7.439 1.00 0.00 H new ATOM 1342 N ASP B 24 12.031 -0.076 -4.025 1.00 0.00 N ATOM 1343 CA ASP B 24 11.158 1.113 -3.881 1.00 0.00 C ATOM 1344 C ASP B 24 10.972 1.344 -2.395 1.00 0.00 C ATOM 1345 O ASP B 24 10.688 2.434 -1.939 1.00 0.00 O ATOM 1346 CB ASP B 24 9.838 0.731 -4.546 1.00 0.00 C ATOM 1347 CG ASP B 24 9.001 1.988 -4.789 1.00 0.00 C ATOM 1348 OD1 ASP B 24 8.813 2.741 -3.848 1.00 0.00 O ATOM 1349 OD2 ASP B 24 8.560 2.175 -5.912 1.00 0.00 O ATOM 0 H ASP B 24 11.646 -0.844 -4.575 1.00 0.00 H new ATOM 0 HA ASP B 24 11.560 2.020 -4.332 1.00 0.00 H new ATOM 0 HB2 ASP B 24 10.029 0.222 -5.490 1.00 0.00 H new ATOM 0 HB3 ASP B 24 9.289 0.034 -3.913 1.00 0.00 H new ATOM 1354 N LEU B 25 11.169 0.303 -1.636 1.00 0.00 N ATOM 1355 CA LEU B 25 11.048 0.411 -0.176 1.00 0.00 C ATOM 1356 C LEU B 25 12.342 0.927 0.388 1.00 0.00 C ATOM 1357 O LEU B 25 12.425 1.955 1.032 1.00 0.00 O ATOM 1358 CB LEU B 25 10.840 -1.028 0.315 1.00 0.00 C ATOM 1359 CG LEU B 25 11.500 -1.249 1.702 1.00 0.00 C ATOM 1360 CD1 LEU B 25 10.442 -1.322 2.787 1.00 0.00 C ATOM 1361 CD2 LEU B 25 12.312 -2.541 1.686 1.00 0.00 C ATOM 0 H LEU B 25 11.412 -0.626 -1.980 1.00 0.00 H new ATOM 0 HA LEU B 25 10.240 1.079 0.123 1.00 0.00 H new ATOM 0 HB2 LEU B 25 9.773 -1.243 0.379 1.00 0.00 H new ATOM 0 HB3 LEU B 25 11.263 -1.726 -0.407 1.00 0.00 H new ATOM 0 HG LEU B 25 12.160 -0.408 1.913 1.00 0.00 H new ATOM 0 HD11 LEU B 25 10.922 -1.477 3.753 1.00 0.00 H new ATOM 0 HD12 LEU B 25 9.877 -0.390 2.808 1.00 0.00 H new ATOM 0 HD13 LEU B 25 9.766 -2.151 2.580 1.00 0.00 H new ATOM 0 HD21 LEU B 25 12.774 -2.693 2.662 1.00 0.00 H new ATOM 0 HD22 LEU B 25 11.655 -3.381 1.461 1.00 0.00 H new ATOM 0 HD23 LEU B 25 13.088 -2.473 0.924 1.00 0.00 H new ATOM 1373 N LEU B 26 13.340 0.134 0.195 1.00 0.00 N ATOM 1374 CA LEU B 26 14.644 0.424 0.743 1.00 0.00 C ATOM 1375 C LEU B 26 15.284 1.600 0.023 1.00 0.00 C ATOM 1376 O LEU B 26 16.330 2.084 0.407 1.00 0.00 O ATOM 1377 CB LEU B 26 15.398 -0.869 0.526 1.00 0.00 C ATOM 1378 CG LEU B 26 16.855 -0.619 0.734 1.00 0.00 C ATOM 1379 CD1 LEU B 26 17.061 -0.187 2.173 1.00 0.00 C ATOM 1380 CD2 LEU B 26 17.632 -1.905 0.458 1.00 0.00 C ATOM 0 H LEU B 26 13.288 -0.732 -0.342 1.00 0.00 H new ATOM 0 HA LEU B 26 14.627 0.721 1.792 1.00 0.00 H new ATOM 0 HB2 LEU B 26 15.044 -1.633 1.218 1.00 0.00 H new ATOM 0 HB3 LEU B 26 15.220 -1.245 -0.482 1.00 0.00 H new ATOM 0 HG LEU B 26 17.211 0.159 0.059 1.00 0.00 H new ATOM 0 HD11 LEU B 26 18.120 0.001 2.348 1.00 0.00 H new ATOM 0 HD12 LEU B 26 16.494 0.724 2.364 1.00 0.00 H new ATOM 0 HD13 LEU B 26 16.717 -0.976 2.842 1.00 0.00 H new ATOM 0 HD21 LEU B 26 18.697 -1.726 0.609 1.00 0.00 H new ATOM 0 HD22 LEU B 26 17.295 -2.687 1.139 1.00 0.00 H new ATOM 0 HD23 LEU B 26 17.459 -2.221 -0.571 1.00 0.00 H new ATOM 1392 N GLN B 27 14.634 2.102 -0.983 1.00 0.00 N ATOM 1393 CA GLN B 27 15.164 3.278 -1.679 1.00 0.00 C ATOM 1394 C GLN B 27 15.037 4.464 -0.727 1.00 0.00 C ATOM 1395 O GLN B 27 15.505 5.552 -0.998 1.00 0.00 O ATOM 1396 CB GLN B 27 14.245 3.454 -2.872 1.00 0.00 C ATOM 1397 CG GLN B 27 14.807 2.670 -4.059 1.00 0.00 C ATOM 1398 CD GLN B 27 15.324 3.631 -5.130 1.00 0.00 C ATOM 1399 OE1 GLN B 27 14.724 4.771 -5.306 1.00 0.00 O flip ATOM 1400 NE2 GLN B 27 16.285 3.338 -5.814 1.00 0.00 N flip ATOM 0 H GLN B 27 13.753 1.739 -1.349 1.00 0.00 H new ATOM 0 HA GLN B 27 16.205 3.188 -1.988 1.00 0.00 H new ATOM 0 HB2 GLN B 27 13.243 3.101 -2.629 1.00 0.00 H new ATOM 0 HB3 GLN B 27 14.158 4.510 -3.127 1.00 0.00 H new ATOM 0 HG2 GLN B 27 15.614 2.019 -3.724 1.00 0.00 H new ATOM 0 HG3 GLN B 27 14.033 2.028 -4.479 1.00 0.00 H new ATOM 0 HE21 GLN B 27 16.756 2.444 -5.676 1.00 0.00 H new ATOM 0 HE22 GLN B 27 16.621 3.986 -6.526 1.00 0.00 H new ATOM 1409 N ALA B 28 14.367 4.259 0.389 1.00 0.00 N ATOM 1410 CA ALA B 28 14.168 5.367 1.347 1.00 0.00 C ATOM 1411 C ALA B 28 14.609 5.008 2.777 1.00 0.00 C ATOM 1412 O ALA B 28 14.719 5.886 3.609 1.00 0.00 O ATOM 1413 CB ALA B 28 12.664 5.626 1.320 1.00 0.00 C ATOM 0 H ALA B 28 13.955 3.368 0.665 1.00 0.00 H new ATOM 0 HA ALA B 28 14.768 6.232 1.067 1.00 0.00 H new ATOM 0 HB1 ALA B 28 12.422 6.438 2.006 1.00 0.00 H new ATOM 0 HB2 ALA B 28 12.360 5.901 0.310 1.00 0.00 H new ATOM 0 HB3 ALA B 28 12.134 4.724 1.625 1.00 0.00 H new ATOM 1419 N VAL B 29 14.859 3.757 3.116 1.00 0.00 N ATOM 1420 CA VAL B 29 15.269 3.501 4.522 1.00 0.00 C ATOM 1421 C VAL B 29 16.743 3.155 4.584 1.00 0.00 C ATOM 1422 O VAL B 29 17.253 2.766 5.613 1.00 0.00 O ATOM 1423 CB VAL B 29 14.357 2.368 5.039 1.00 0.00 C ATOM 1424 CG1 VAL B 29 13.998 1.403 3.908 1.00 0.00 C ATOM 1425 CG2 VAL B 29 15.061 1.596 6.158 1.00 0.00 C ATOM 0 H VAL B 29 14.798 2.943 2.504 1.00 0.00 H new ATOM 0 HA VAL B 29 15.151 4.380 5.156 1.00 0.00 H new ATOM 0 HB VAL B 29 13.442 2.818 5.424 1.00 0.00 H new ATOM 0 HG11 VAL B 29 13.355 0.612 4.295 1.00 0.00 H new ATOM 0 HG12 VAL B 29 13.474 1.944 3.120 1.00 0.00 H new ATOM 0 HG13 VAL B 29 14.909 0.963 3.502 1.00 0.00 H new ATOM 0 HG21 VAL B 29 14.409 0.799 6.516 1.00 0.00 H new ATOM 0 HG22 VAL B 29 15.986 1.164 5.776 1.00 0.00 H new ATOM 0 HG23 VAL B 29 15.290 2.274 6.980 1.00 0.00 H new ATOM 1435 N ASP B 30 17.446 3.349 3.506 1.00 0.00 N ATOM 1436 CA ASP B 30 18.901 3.077 3.536 1.00 0.00 C ATOM 1437 C ASP B 30 19.156 1.762 4.231 1.00 0.00 C ATOM 1438 O ASP B 30 19.246 1.705 5.441 1.00 0.00 O ATOM 1439 CB ASP B 30 19.453 4.205 4.387 1.00 0.00 C ATOM 1440 CG ASP B 30 19.833 5.391 3.498 1.00 0.00 C ATOM 1441 OD1 ASP B 30 20.482 5.167 2.489 1.00 0.00 O ATOM 1442 OD2 ASP B 30 19.466 6.503 3.839 1.00 0.00 O ATOM 0 H ASP B 30 17.078 3.681 2.615 1.00 0.00 H new ATOM 0 HA ASP B 30 19.347 3.022 2.543 1.00 0.00 H new ATOM 0 HB2 ASP B 30 18.710 4.514 5.123 1.00 0.00 H new ATOM 0 HB3 ASP B 30 20.326 3.860 4.941 1.00 0.00 H new ATOM 1447 N SER B 31 19.237 0.688 3.522 1.00 0.00 N ATOM 1448 CA SER B 31 19.426 -0.566 4.248 1.00 0.00 C ATOM 1449 C SER B 31 19.847 -1.674 3.287 1.00 0.00 C ATOM 1450 O SER B 31 19.139 -2.632 3.061 1.00 0.00 O ATOM 1451 CB SER B 31 18.031 -0.750 4.842 1.00 0.00 C ATOM 1452 OG SER B 31 18.141 -1.209 6.173 1.00 0.00 O ATOM 0 H SER B 31 19.182 0.627 2.505 1.00 0.00 H new ATOM 0 HA SER B 31 20.211 -0.578 5.004 1.00 0.00 H new ATOM 0 HB2 SER B 31 17.486 0.194 4.816 1.00 0.00 H new ATOM 0 HB3 SER B 31 17.462 -1.464 4.246 1.00 0.00 H new ATOM 0 HG SER B 31 17.370 -1.774 6.389 1.00 0.00 H new ATOM 1458 N GLN B 32 21.019 -1.532 2.727 1.00 0.00 N ATOM 1459 CA GLN B 32 21.532 -2.545 1.769 1.00 0.00 C ATOM 1460 C GLN B 32 21.349 -3.955 2.328 1.00 0.00 C ATOM 1461 O GLN B 32 21.327 -4.916 1.594 1.00 0.00 O ATOM 1462 CB GLN B 32 23.016 -2.213 1.625 1.00 0.00 C ATOM 1463 CG GLN B 32 23.436 -2.370 0.164 1.00 0.00 C ATOM 1464 CD GLN B 32 24.577 -3.373 0.068 1.00 0.00 C ATOM 1465 OE1 GLN B 32 25.716 -3.049 0.345 1.00 0.00 O ATOM 1466 NE2 GLN B 32 24.317 -4.588 -0.315 1.00 0.00 N ATOM 0 H GLN B 32 21.647 -0.747 2.897 1.00 0.00 H new ATOM 0 HA GLN B 32 21.005 -2.520 0.815 1.00 0.00 H new ATOM 0 HB2 GLN B 32 23.205 -1.194 1.961 1.00 0.00 H new ATOM 0 HB3 GLN B 32 23.610 -2.873 2.258 1.00 0.00 H new ATOM 0 HG2 GLN B 32 22.590 -2.708 -0.434 1.00 0.00 H new ATOM 0 HG3 GLN B 32 23.749 -1.408 -0.241 1.00 0.00 H new ATOM 0 HE21 GLN B 32 23.360 -4.856 -0.546 1.00 0.00 H new ATOM 0 HE22 GLN B 32 25.070 -5.273 -0.384 1.00 0.00 H new ATOM 1475 N GLU B 33 21.196 -4.092 3.614 1.00 0.00 N ATOM 1476 CA GLU B 33 20.990 -5.453 4.181 1.00 0.00 C ATOM 1477 C GLU B 33 19.638 -5.973 3.714 1.00 0.00 C ATOM 1478 O GLU B 33 19.437 -7.160 3.545 1.00 0.00 O ATOM 1479 CB GLU B 33 21.003 -5.274 5.700 1.00 0.00 C ATOM 1480 CG GLU B 33 22.123 -4.311 6.098 1.00 0.00 C ATOM 1481 CD GLU B 33 22.656 -4.687 7.482 1.00 0.00 C ATOM 1482 OE1 GLU B 33 22.005 -4.350 8.458 1.00 0.00 O ATOM 1483 OE2 GLU B 33 23.707 -5.305 7.543 1.00 0.00 O ATOM 0 H GLU B 33 21.204 -3.330 4.292 1.00 0.00 H new ATOM 0 HA GLU B 33 21.754 -6.164 3.866 1.00 0.00 H new ATOM 0 HB2 GLU B 33 20.041 -4.888 6.038 1.00 0.00 H new ATOM 0 HB3 GLU B 33 21.149 -6.238 6.188 1.00 0.00 H new ATOM 0 HG2 GLU B 33 22.928 -4.350 5.364 1.00 0.00 H new ATOM 0 HG3 GLU B 33 21.750 -3.287 6.107 1.00 0.00 H new ATOM 1490 N VAL B 34 18.711 -5.086 3.489 1.00 0.00 N ATOM 1491 CA VAL B 34 17.375 -5.520 3.016 1.00 0.00 C ATOM 1492 C VAL B 34 17.467 -5.845 1.524 1.00 0.00 C ATOM 1493 O VAL B 34 16.904 -6.814 1.053 1.00 0.00 O ATOM 1494 CB VAL B 34 16.438 -4.337 3.332 1.00 0.00 C ATOM 1495 CG1 VAL B 34 15.516 -4.031 2.149 1.00 0.00 C ATOM 1496 CG2 VAL B 34 15.585 -4.706 4.548 1.00 0.00 C ATOM 0 H VAL B 34 18.824 -4.080 3.613 1.00 0.00 H new ATOM 0 HA VAL B 34 16.998 -6.423 3.497 1.00 0.00 H new ATOM 0 HB VAL B 34 17.042 -3.452 3.533 1.00 0.00 H new ATOM 0 HG11 VAL B 34 14.867 -3.192 2.401 1.00 0.00 H new ATOM 0 HG12 VAL B 34 16.117 -3.775 1.276 1.00 0.00 H new ATOM 0 HG13 VAL B 34 14.907 -4.907 1.926 1.00 0.00 H new ATOM 0 HG21 VAL B 34 14.915 -3.880 4.787 1.00 0.00 H new ATOM 0 HG22 VAL B 34 14.998 -5.596 4.324 1.00 0.00 H new ATOM 0 HG23 VAL B 34 16.234 -4.905 5.401 1.00 0.00 H new ATOM 1506 N ARG B 35 18.215 -5.075 0.791 1.00 0.00 N ATOM 1507 CA ARG B 35 18.391 -5.377 -0.648 1.00 0.00 C ATOM 1508 C ARG B 35 19.386 -6.526 -0.760 1.00 0.00 C ATOM 1509 O ARG B 35 19.175 -7.489 -1.470 1.00 0.00 O ATOM 1510 CB ARG B 35 18.981 -4.113 -1.226 1.00 0.00 C ATOM 1511 CG ARG B 35 18.006 -3.479 -2.212 1.00 0.00 C ATOM 1512 CD ARG B 35 18.806 -2.908 -3.375 1.00 0.00 C ATOM 1513 NE ARG B 35 17.789 -2.454 -4.361 1.00 0.00 N ATOM 1514 CZ ARG B 35 17.510 -1.184 -4.462 1.00 0.00 C ATOM 1515 NH1 ARG B 35 17.150 -0.511 -3.404 1.00 0.00 N ATOM 1516 NH2 ARG B 35 17.597 -0.586 -5.617 1.00 0.00 N ATOM 0 H ARG B 35 18.711 -4.250 1.128 1.00 0.00 H new ATOM 0 HA ARG B 35 17.472 -5.662 -1.160 1.00 0.00 H new ATOM 0 HB2 ARG B 35 19.208 -3.410 -0.425 1.00 0.00 H new ATOM 0 HB3 ARG B 35 19.922 -4.339 -1.728 1.00 0.00 H new ATOM 0 HG2 ARG B 35 17.292 -4.221 -2.570 1.00 0.00 H new ATOM 0 HG3 ARG B 35 17.431 -2.692 -1.724 1.00 0.00 H new ATOM 0 HD2 ARG B 35 19.437 -2.081 -3.050 1.00 0.00 H new ATOM 0 HD3 ARG B 35 19.465 -3.661 -3.807 1.00 0.00 H new ATOM 0 HE ARG B 35 17.312 -3.132 -4.955 1.00 0.00 H new ATOM 0 HH11 ARG B 35 17.087 -0.978 -2.499 1.00 0.00 H new ATOM 0 HH12 ARG B 35 16.931 0.482 -3.481 1.00 0.00 H new ATOM 0 HH21 ARG B 35 17.884 -1.111 -6.443 1.00 0.00 H new ATOM 0 HH22 ARG B 35 17.379 0.407 -5.695 1.00 0.00 H new ATOM 1530 N ASP B 36 20.457 -6.444 -0.012 1.00 0.00 N ATOM 1531 CA ASP B 36 21.452 -7.543 -0.017 1.00 0.00 C ATOM 1532 C ASP B 36 20.692 -8.811 0.319 1.00 0.00 C ATOM 1533 O ASP B 36 21.029 -9.903 -0.088 1.00 0.00 O ATOM 1534 CB ASP B 36 22.445 -7.194 1.092 1.00 0.00 C ATOM 1535 CG ASP B 36 23.587 -8.211 1.095 1.00 0.00 C ATOM 1536 OD1 ASP B 36 23.315 -9.379 1.316 1.00 0.00 O ATOM 1537 OD2 ASP B 36 24.717 -7.804 0.878 1.00 0.00 O ATOM 0 H ASP B 36 20.680 -5.660 0.601 1.00 0.00 H new ATOM 0 HA ASP B 36 21.974 -7.676 -0.965 1.00 0.00 H new ATOM 0 HB2 ASP B 36 22.839 -6.189 0.938 1.00 0.00 H new ATOM 0 HB3 ASP B 36 21.941 -7.194 2.059 1.00 0.00 H new ATOM 1542 N TYR B 37 19.628 -8.628 1.041 1.00 0.00 N ATOM 1543 CA TYR B 37 18.749 -9.735 1.419 1.00 0.00 C ATOM 1544 C TYR B 37 17.860 -10.040 0.218 1.00 0.00 C ATOM 1545 O TYR B 37 17.765 -11.155 -0.242 1.00 0.00 O ATOM 1546 CB TYR B 37 17.946 -9.167 2.586 1.00 0.00 C ATOM 1547 CG TYR B 37 16.616 -9.856 2.638 1.00 0.00 C ATOM 1548 CD1 TYR B 37 15.611 -9.444 1.766 1.00 0.00 C ATOM 1549 CD2 TYR B 37 16.411 -10.934 3.501 1.00 0.00 C ATOM 1550 CE1 TYR B 37 14.391 -10.104 1.749 1.00 0.00 C ATOM 1551 CE2 TYR B 37 15.189 -11.610 3.481 1.00 0.00 C ATOM 1552 CZ TYR B 37 14.178 -11.200 2.604 1.00 0.00 C ATOM 1553 OH TYR B 37 12.979 -11.885 2.575 1.00 0.00 O ATOM 0 H TYR B 37 19.330 -7.718 1.392 1.00 0.00 H new ATOM 0 HA TYR B 37 19.255 -10.659 1.699 1.00 0.00 H new ATOM 0 HB2 TYR B 37 18.484 -9.315 3.522 1.00 0.00 H new ATOM 0 HB3 TYR B 37 17.810 -8.093 2.463 1.00 0.00 H new ATOM 0 HD1 TYR B 37 15.782 -8.609 1.102 1.00 0.00 H new ATOM 0 HD2 TYR B 37 17.192 -11.243 4.180 1.00 0.00 H new ATOM 0 HE1 TYR B 37 13.607 -9.777 1.081 1.00 0.00 H new ATOM 0 HE2 TYR B 37 15.024 -12.448 4.142 1.00 0.00 H new ATOM 0 HH TYR B 37 12.501 -11.744 3.419 1.00 0.00 H new ATOM 1563 N CYS B 38 17.230 -9.028 -0.301 1.00 0.00 N ATOM 1564 CA CYS B 38 16.350 -9.207 -1.479 1.00 0.00 C ATOM 1565 C CYS B 38 17.108 -9.965 -2.569 1.00 0.00 C ATOM 1566 O CYS B 38 16.648 -10.967 -3.076 1.00 0.00 O ATOM 1567 CB CYS B 38 16.022 -7.776 -1.894 1.00 0.00 C ATOM 1568 SG CYS B 38 14.634 -7.748 -3.046 1.00 0.00 S ATOM 0 H CYS B 38 17.290 -8.071 0.048 1.00 0.00 H new ATOM 0 HA CYS B 38 15.448 -9.787 -1.283 1.00 0.00 H new ATOM 0 HB2 CYS B 38 15.781 -7.183 -1.012 1.00 0.00 H new ATOM 0 HB3 CYS B 38 16.895 -7.317 -2.358 1.00 0.00 H new ATOM 0 HG CYS B 38 14.157 -8.950 -3.179 1.00 0.00 H new ATOM 1574 N GLU B 39 18.285 -9.522 -2.905 1.00 0.00 N ATOM 1575 CA GLU B 39 19.079 -10.253 -3.923 1.00 0.00 C ATOM 1576 C GLU B 39 19.579 -11.546 -3.293 1.00 0.00 C ATOM 1577 O GLU B 39 20.056 -12.434 -3.971 1.00 0.00 O ATOM 1578 CB GLU B 39 20.249 -9.331 -4.253 1.00 0.00 C ATOM 1579 CG GLU B 39 20.937 -8.936 -2.948 1.00 0.00 C ATOM 1580 CD GLU B 39 22.378 -9.450 -2.947 1.00 0.00 C ATOM 1581 OE1 GLU B 39 22.560 -10.645 -3.116 1.00 0.00 O ATOM 1582 OE2 GLU B 39 23.275 -8.641 -2.775 1.00 0.00 O ATOM 0 H GLU B 39 18.729 -8.688 -2.520 1.00 0.00 H new ATOM 0 HA GLU B 39 18.511 -10.504 -4.819 1.00 0.00 H new ATOM 0 HB2 GLU B 39 20.953 -9.835 -4.915 1.00 0.00 H new ATOM 0 HB3 GLU B 39 19.896 -8.444 -4.779 1.00 0.00 H new ATOM 0 HG2 GLU B 39 20.928 -7.852 -2.835 1.00 0.00 H new ATOM 0 HG3 GLU B 39 20.393 -9.350 -2.099 1.00 0.00 H new ATOM 1589 N LYS B 40 19.422 -11.685 -1.998 1.00 0.00 N ATOM 1590 CA LYS B 40 19.835 -12.949 -1.359 1.00 0.00 C ATOM 1591 C LYS B 40 18.646 -13.864 -1.479 1.00 0.00 C ATOM 1592 O LYS B 40 18.748 -15.067 -1.623 1.00 0.00 O ATOM 1593 CB LYS B 40 20.101 -12.649 0.115 1.00 0.00 C ATOM 1594 CG LYS B 40 20.416 -13.958 0.832 1.00 0.00 C ATOM 1595 CD LYS B 40 21.024 -13.653 2.198 1.00 0.00 C ATOM 1596 CE LYS B 40 20.393 -14.568 3.248 1.00 0.00 C ATOM 1597 NZ LYS B 40 21.537 -15.088 4.047 1.00 0.00 N ATOM 0 H LYS B 40 19.030 -10.981 -1.373 1.00 0.00 H new ATOM 0 HA LYS B 40 20.724 -13.391 -1.808 1.00 0.00 H new ATOM 0 HB2 LYS B 40 20.935 -11.954 0.215 1.00 0.00 H new ATOM 0 HB3 LYS B 40 19.231 -12.171 0.566 1.00 0.00 H new ATOM 0 HG2 LYS B 40 19.508 -14.549 0.950 1.00 0.00 H new ATOM 0 HG3 LYS B 40 21.109 -14.554 0.238 1.00 0.00 H new ATOM 0 HD2 LYS B 40 22.103 -13.803 2.170 1.00 0.00 H new ATOM 0 HD3 LYS B 40 20.854 -12.609 2.460 1.00 0.00 H new ATOM 0 HE2 LYS B 40 19.690 -14.021 3.876 1.00 0.00 H new ATOM 0 HE3 LYS B 40 19.837 -15.381 2.780 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 21.182 -15.725 4.789 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 22.186 -15.610 3.425 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 22.043 -14.293 4.487 1.00 0.00 H new ATOM 1611 N LYS B 41 17.505 -13.250 -1.433 1.00 0.00 N ATOM 1612 CA LYS B 41 16.241 -13.979 -1.554 1.00 0.00 C ATOM 1613 C LYS B 41 16.130 -14.473 -2.965 1.00 0.00 C ATOM 1614 O LYS B 41 16.036 -15.650 -3.254 1.00 0.00 O ATOM 1615 CB LYS B 41 15.179 -12.919 -1.368 1.00 0.00 C ATOM 1616 CG LYS B 41 15.309 -12.163 -0.065 1.00 0.00 C ATOM 1617 CD LYS B 41 16.053 -12.987 0.970 1.00 0.00 C ATOM 1618 CE LYS B 41 15.081 -13.966 1.620 1.00 0.00 C ATOM 1619 NZ LYS B 41 15.937 -14.947 2.341 1.00 0.00 N ATOM 0 H LYS B 41 17.403 -12.242 -1.313 1.00 0.00 H new ATOM 0 HA LYS B 41 16.158 -14.809 -0.852 1.00 0.00 H new ATOM 0 HB2 LYS B 41 15.232 -12.213 -2.196 1.00 0.00 H new ATOM 0 HB3 LYS B 41 14.196 -13.388 -1.411 1.00 0.00 H new ATOM 0 HG2 LYS B 41 15.837 -11.225 -0.236 1.00 0.00 H new ATOM 0 HG3 LYS B 41 14.319 -11.908 0.312 1.00 0.00 H new ATOM 0 HD2 LYS B 41 16.874 -13.528 0.500 1.00 0.00 H new ATOM 0 HD3 LYS B 41 16.492 -12.335 1.725 1.00 0.00 H new ATOM 0 HE2 LYS B 41 14.406 -13.454 2.306 1.00 0.00 H new ATOM 0 HE3 LYS B 41 14.461 -14.460 0.872 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 15.335 -15.652 2.813 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 16.564 -15.425 1.663 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 16.511 -14.450 3.052 1.00 0.00 H new ATOM 1633 N GLY B 42 16.171 -13.526 -3.847 1.00 0.00 N ATOM 1634 CA GLY B 42 16.106 -13.834 -5.278 1.00 0.00 C ATOM 1635 C GLY B 42 15.227 -12.851 -6.048 1.00 0.00 C ATOM 1636 O GLY B 42 14.322 -13.229 -6.761 1.00 0.00 O ATOM 0 H GLY B 42 16.248 -12.534 -3.625 1.00 0.00 H new ATOM 0 HA2 GLY B 42 17.113 -13.820 -5.695 1.00 0.00 H new ATOM 0 HA3 GLY B 42 15.719 -14.844 -5.412 1.00 0.00 H new ATOM 1640 N TRP B 43 15.542 -11.594 -5.963 1.00 0.00 N ATOM 1641 CA TRP B 43 14.801 -10.582 -6.765 1.00 0.00 C ATOM 1642 C TRP B 43 15.864 -9.872 -7.496 1.00 0.00 C ATOM 1643 O TRP B 43 15.854 -9.669 -8.693 1.00 0.00 O ATOM 1644 CB TRP B 43 14.136 -9.516 -5.903 1.00 0.00 C ATOM 1645 CG TRP B 43 13.591 -10.026 -4.627 1.00 0.00 C ATOM 1646 CD1 TRP B 43 14.113 -11.029 -3.919 1.00 0.00 C ATOM 1647 CD2 TRP B 43 12.464 -9.529 -3.841 1.00 0.00 C ATOM 1648 NE1 TRP B 43 13.392 -11.201 -2.806 1.00 0.00 N ATOM 1649 CE2 TRP B 43 12.384 -10.310 -2.680 1.00 0.00 C ATOM 1650 CE3 TRP B 43 11.519 -8.503 -4.005 1.00 0.00 C ATOM 1651 CZ2 TRP B 43 11.434 -10.109 -1.706 1.00 0.00 C ATOM 1652 CZ3 TRP B 43 10.542 -8.283 -3.022 1.00 0.00 C ATOM 1653 CH2 TRP B 43 10.503 -9.081 -1.865 1.00 0.00 C ATOM 0 H TRP B 43 16.283 -11.219 -5.371 1.00 0.00 H new ATOM 0 HA TRP B 43 14.033 -11.074 -7.361 1.00 0.00 H new ATOM 0 HB2 TRP B 43 14.862 -8.732 -5.688 1.00 0.00 H new ATOM 0 HB3 TRP B 43 13.329 -9.055 -6.472 1.00 0.00 H new ATOM 0 HD1 TRP B 43 14.979 -11.609 -4.200 1.00 0.00 H new ATOM 0 HE1 TRP B 43 13.584 -11.932 -2.121 1.00 0.00 H new ATOM 0 HE3 TRP B 43 11.544 -7.883 -4.889 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 11.409 -10.739 -0.829 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 9.815 -7.495 -3.155 1.00 0.00 H new ATOM 0 HH2 TRP B 43 9.758 -8.900 -1.104 1.00 0.00 H new ATOM 1664 N ILE B 44 16.820 -9.537 -6.703 1.00 0.00 N ATOM 1665 CA ILE B 44 18.030 -8.857 -7.152 1.00 0.00 C ATOM 1666 C ILE B 44 17.787 -7.374 -7.304 1.00 0.00 C ATOM 1667 O ILE B 44 18.566 -6.659 -7.904 1.00 0.00 O ATOM 1668 CB ILE B 44 18.392 -9.446 -8.493 1.00 0.00 C ATOM 1669 CG1 ILE B 44 18.194 -10.957 -8.488 1.00 0.00 C ATOM 1670 CG2 ILE B 44 19.860 -9.129 -8.766 1.00 0.00 C ATOM 1671 CD1 ILE B 44 17.652 -11.384 -9.851 1.00 0.00 C ATOM 0 H ILE B 44 16.803 -9.722 -5.700 1.00 0.00 H new ATOM 0 HA ILE B 44 18.831 -8.991 -6.425 1.00 0.00 H new ATOM 0 HB ILE B 44 17.751 -9.020 -9.265 1.00 0.00 H new ATOM 0 HG12 ILE B 44 19.138 -11.461 -8.282 1.00 0.00 H new ATOM 0 HG13 ILE B 44 17.500 -11.245 -7.698 1.00 0.00 H new ATOM 0 HG21 ILE B 44 20.148 -9.544 -9.732 1.00 0.00 H new ATOM 0 HG22 ILE B 44 20.003 -8.048 -8.779 1.00 0.00 H new ATOM 0 HG23 ILE B 44 20.479 -9.567 -7.983 1.00 0.00 H new ATOM 0 HD11 ILE B 44 17.505 -12.464 -9.862 1.00 0.00 H new ATOM 0 HD12 ILE B 44 16.700 -10.887 -10.036 1.00 0.00 H new ATOM 0 HD13 ILE B 44 18.364 -11.107 -10.629 1.00 0.00 H new ATOM 1683 N VAL B 45 16.694 -6.939 -6.785 1.00 0.00 N ATOM 1684 CA VAL B 45 16.289 -5.512 -6.871 1.00 0.00 C ATOM 1685 C VAL B 45 17.497 -4.592 -7.080 1.00 0.00 C ATOM 1686 O VAL B 45 18.159 -4.189 -6.145 1.00 0.00 O ATOM 1687 CB VAL B 45 15.617 -5.243 -5.535 1.00 0.00 C ATOM 1688 CG1 VAL B 45 14.220 -5.865 -5.528 1.00 0.00 C ATOM 1689 CG2 VAL B 45 16.455 -5.835 -4.398 1.00 0.00 C ATOM 0 H VAL B 45 16.032 -7.531 -6.283 1.00 0.00 H new ATOM 0 HA VAL B 45 15.633 -5.318 -7.720 1.00 0.00 H new ATOM 0 HB VAL B 45 15.533 -4.166 -5.388 1.00 0.00 H new ATOM 0 HG11 VAL B 45 13.740 -5.671 -4.569 1.00 0.00 H new ATOM 0 HG12 VAL B 45 13.623 -5.427 -6.328 1.00 0.00 H new ATOM 0 HG13 VAL B 45 14.300 -6.941 -5.682 1.00 0.00 H new ATOM 0 HG21 VAL B 45 15.966 -5.637 -3.444 1.00 0.00 H new ATOM 0 HG22 VAL B 45 16.552 -6.911 -4.540 1.00 0.00 H new ATOM 0 HG23 VAL B 45 17.445 -5.378 -4.399 1.00 0.00 H new ATOM 1699 N ASN B 46 17.785 -4.265 -8.314 1.00 0.00 N ATOM 1700 CA ASN B 46 18.947 -3.378 -8.609 1.00 0.00 C ATOM 1701 C ASN B 46 19.120 -3.222 -10.125 1.00 0.00 C ATOM 1702 O ASN B 46 19.904 -3.916 -10.743 1.00 0.00 O ATOM 1703 CB ASN B 46 20.155 -4.099 -8.005 1.00 0.00 C ATOM 1704 CG ASN B 46 21.445 -3.514 -8.585 1.00 0.00 C ATOM 1705 OD1 ASN B 46 21.449 -2.416 -9.104 1.00 0.00 O ATOM 1706 ND2 ASN B 46 22.549 -4.208 -8.520 1.00 0.00 N ATOM 0 H ASN B 46 17.262 -4.576 -9.132 1.00 0.00 H new ATOM 0 HA ASN B 46 18.820 -2.377 -8.198 1.00 0.00 H new ATOM 0 HB2 ASN B 46 20.150 -3.991 -6.920 1.00 0.00 H new ATOM 0 HB3 ASN B 46 20.099 -5.166 -8.220 1.00 0.00 H new ATOM 0 HD21 ASN B 46 23.414 -3.828 -8.905 1.00 0.00 H new ATOM 0 HD22 ASN B 46 22.547 -5.130 -8.084 1.00 0.00 H new ATOM 1713 N ILE B 47 18.396 -2.319 -10.730 1.00 0.00 N ATOM 1714 CA ILE B 47 18.524 -2.125 -12.204 1.00 0.00 C ATOM 1715 C ILE B 47 19.143 -0.755 -12.503 1.00 0.00 C ATOM 1716 O ILE B 47 18.642 0.267 -12.077 1.00 0.00 O ATOM 1717 CB ILE B 47 17.088 -2.222 -12.743 1.00 0.00 C ATOM 1718 CG1 ILE B 47 17.119 -2.719 -14.191 1.00 0.00 C ATOM 1719 CG2 ILE B 47 16.401 -0.851 -12.691 1.00 0.00 C ATOM 1720 CD1 ILE B 47 17.822 -1.687 -15.076 1.00 0.00 C ATOM 0 H ILE B 47 17.722 -1.708 -10.268 1.00 0.00 H new ATOM 0 HA ILE B 47 19.175 -2.865 -12.671 1.00 0.00 H new ATOM 0 HB ILE B 47 16.527 -2.921 -12.122 1.00 0.00 H new ATOM 0 HG12 ILE B 47 17.640 -3.675 -14.246 1.00 0.00 H new ATOM 0 HG13 ILE B 47 16.104 -2.888 -14.549 1.00 0.00 H new ATOM 0 HG21 ILE B 47 15.385 -0.938 -13.076 1.00 0.00 H new ATOM 0 HG22 ILE B 47 16.369 -0.499 -11.660 1.00 0.00 H new ATOM 0 HG23 ILE B 47 16.960 -0.140 -13.300 1.00 0.00 H new ATOM 0 HD11 ILE B 47 17.842 -2.044 -16.106 1.00 0.00 H new ATOM 0 HD12 ILE B 47 17.283 -0.741 -15.031 1.00 0.00 H new ATOM 0 HD13 ILE B 47 18.843 -1.540 -14.723 1.00 0.00 H new ATOM 1732 N THR B 48 20.226 -0.723 -13.229 1.00 0.00 N ATOM 1733 CA THR B 48 20.868 0.586 -13.546 1.00 0.00 C ATOM 1734 C THR B 48 21.491 0.551 -14.944 1.00 0.00 C ATOM 1735 O THR B 48 22.690 0.422 -15.095 1.00 0.00 O ATOM 1736 CB THR B 48 21.952 0.763 -12.482 1.00 0.00 C ATOM 1737 OG1 THR B 48 22.760 1.883 -12.813 1.00 0.00 O ATOM 1738 CG2 THR B 48 22.820 -0.495 -12.420 1.00 0.00 C ATOM 0 H THR B 48 20.694 -1.543 -13.616 1.00 0.00 H new ATOM 0 HA THR B 48 20.151 1.407 -13.541 1.00 0.00 H new ATOM 0 HB THR B 48 21.485 0.926 -11.511 1.00 0.00 H new ATOM 0 HG1 THR B 48 23.171 1.742 -13.691 1.00 0.00 H new ATOM 0 HG21 THR B 48 23.592 -0.367 -11.661 1.00 0.00 H new ATOM 0 HG22 THR B 48 22.199 -1.353 -12.165 1.00 0.00 H new ATOM 0 HG23 THR B 48 23.289 -0.662 -13.390 1.00 0.00 H new ATOM 1746 N SER B 49 20.689 0.670 -15.967 1.00 0.00 N ATOM 1747 CA SER B 49 21.244 0.649 -17.352 1.00 0.00 C ATOM 1748 C SER B 49 21.794 2.031 -17.716 1.00 0.00 C ATOM 1749 O SER B 49 22.356 2.721 -16.890 1.00 0.00 O ATOM 1750 CB SER B 49 20.064 0.285 -18.252 1.00 0.00 C ATOM 1751 OG SER B 49 20.477 0.340 -19.611 1.00 0.00 O ATOM 0 H SER B 49 19.677 0.781 -15.905 1.00 0.00 H new ATOM 0 HA SER B 49 22.065 -0.060 -17.458 1.00 0.00 H new ATOM 0 HB2 SER B 49 19.702 -0.714 -18.010 1.00 0.00 H new ATOM 0 HB3 SER B 49 19.236 0.974 -18.083 1.00 0.00 H new ATOM 0 HG SER B 49 19.783 0.778 -20.146 1.00 0.00 H new ATOM 1757 N GLN B 50 21.634 2.439 -18.945 1.00 0.00 N ATOM 1758 CA GLN B 50 22.148 3.778 -19.352 1.00 0.00 C ATOM 1759 C GLN B 50 23.565 3.984 -18.808 1.00 0.00 C ATOM 1760 O GLN B 50 24.344 3.056 -18.713 1.00 0.00 O ATOM 1761 CB GLN B 50 21.181 4.779 -18.720 1.00 0.00 C ATOM 1762 CG GLN B 50 20.845 5.876 -19.729 1.00 0.00 C ATOM 1763 CD GLN B 50 19.385 6.300 -19.557 1.00 0.00 C ATOM 1764 OE1 GLN B 50 18.485 5.606 -19.988 1.00 0.00 O ATOM 1765 NE2 GLN B 50 19.111 7.417 -18.941 1.00 0.00 N ATOM 0 H GLN B 50 21.172 1.906 -19.682 1.00 0.00 H new ATOM 0 HA GLN B 50 22.202 3.891 -20.435 1.00 0.00 H new ATOM 0 HB2 GLN B 50 20.270 4.270 -18.404 1.00 0.00 H new ATOM 0 HB3 GLN B 50 21.627 5.217 -17.827 1.00 0.00 H new ATOM 0 HG2 GLN B 50 21.503 6.733 -19.583 1.00 0.00 H new ATOM 0 HG3 GLN B 50 21.012 5.515 -20.744 1.00 0.00 H new ATOM 0 HE21 GLN B 50 19.867 7.999 -18.580 1.00 0.00 H new ATOM 0 HE22 GLN B 50 18.141 7.708 -18.821 1.00 0.00 H new ATOM 1774 N VAL B 51 23.900 5.192 -18.443 1.00 0.00 N ATOM 1775 CA VAL B 51 25.262 5.461 -17.897 1.00 0.00 C ATOM 1776 C VAL B 51 26.336 4.933 -18.855 1.00 0.00 C ATOM 1777 O VAL B 51 26.052 4.208 -19.788 1.00 0.00 O ATOM 1778 CB VAL B 51 25.300 4.710 -16.563 1.00 0.00 C ATOM 1779 CG1 VAL B 51 26.751 4.460 -16.141 1.00 0.00 C ATOM 1780 CG2 VAL B 51 24.602 5.549 -15.490 1.00 0.00 C ATOM 0 H VAL B 51 23.288 6.006 -18.499 1.00 0.00 H new ATOM 0 HA VAL B 51 25.459 6.526 -17.771 1.00 0.00 H new ATOM 0 HB VAL B 51 24.790 3.753 -16.678 1.00 0.00 H new ATOM 0 HG11 VAL B 51 26.767 3.925 -15.191 1.00 0.00 H new ATOM 0 HG12 VAL B 51 27.253 3.863 -16.902 1.00 0.00 H new ATOM 0 HG13 VAL B 51 27.267 5.414 -16.029 1.00 0.00 H new ATOM 0 HG21 VAL B 51 24.627 5.017 -14.539 1.00 0.00 H new ATOM 0 HG22 VAL B 51 25.115 6.505 -15.385 1.00 0.00 H new ATOM 0 HG23 VAL B 51 23.566 5.723 -15.781 1.00 0.00 H new ATOM 1790 N GLN B 52 27.570 5.293 -18.630 1.00 0.00 N ATOM 1791 CA GLN B 52 28.661 4.814 -19.524 1.00 0.00 C ATOM 1792 C GLN B 52 28.802 3.294 -19.418 1.00 0.00 C ATOM 1793 O GLN B 52 28.486 2.700 -18.407 1.00 0.00 O ATOM 1794 CB GLN B 52 29.924 5.504 -19.013 1.00 0.00 C ATOM 1795 CG GLN B 52 30.149 5.117 -17.554 1.00 0.00 C ATOM 1796 CD GLN B 52 30.818 6.276 -16.813 1.00 0.00 C ATOM 1797 OE1 GLN B 52 31.986 6.212 -16.489 1.00 0.00 O ATOM 1798 NE2 GLN B 52 30.120 7.343 -16.532 1.00 0.00 N ATOM 0 H GLN B 52 27.869 5.898 -17.866 1.00 0.00 H new ATOM 0 HA GLN B 52 28.466 5.044 -20.572 1.00 0.00 H new ATOM 0 HB2 GLN B 52 30.783 5.211 -19.617 1.00 0.00 H new ATOM 0 HB3 GLN B 52 29.825 6.586 -19.104 1.00 0.00 H new ATOM 0 HG2 GLN B 52 29.198 4.871 -17.082 1.00 0.00 H new ATOM 0 HG3 GLN B 52 30.774 4.226 -17.496 1.00 0.00 H new ATOM 0 HE21 GLN B 52 29.138 7.397 -16.804 1.00 0.00 H new ATOM 0 HE22 GLN B 52 30.556 8.123 -16.040 1.00 0.00 H new ATOM 1807 N THR B 53 29.279 2.660 -20.455 1.00 0.00 N ATOM 1808 CA THR B 53 29.444 1.180 -20.414 1.00 0.00 C ATOM 1809 C THR B 53 30.886 0.804 -20.759 1.00 0.00 C ATOM 1810 O THR B 53 31.331 0.972 -21.877 1.00 0.00 O ATOM 1811 CB THR B 53 28.482 0.645 -21.474 1.00 0.00 C ATOM 1812 OG1 THR B 53 28.370 1.590 -22.528 1.00 0.00 O ATOM 1813 CG2 THR B 53 27.108 0.412 -20.846 1.00 0.00 C ATOM 0 H THR B 53 29.561 3.104 -21.329 1.00 0.00 H new ATOM 0 HA THR B 53 29.233 0.766 -19.428 1.00 0.00 H new ATOM 0 HB THR B 53 28.862 -0.297 -21.869 1.00 0.00 H new ATOM 0 HG1 THR B 53 27.755 1.248 -23.210 1.00 0.00 H new ATOM 0 HG21 THR B 53 26.422 0.030 -21.602 1.00 0.00 H new ATOM 0 HG22 THR B 53 27.196 -0.313 -20.037 1.00 0.00 H new ATOM 0 HG23 THR B 53 26.725 1.352 -20.450 1.00 0.00 H new ATOM 1821 N GLU B 54 31.622 0.295 -19.808 1.00 0.00 N ATOM 1822 CA GLU B 54 33.036 -0.090 -20.087 1.00 0.00 C ATOM 1823 C GLU B 54 33.875 1.162 -20.365 1.00 0.00 C ATOM 1824 O GLU B 54 33.490 2.018 -21.134 1.00 0.00 O ATOM 1825 CB GLU B 54 32.969 -0.977 -21.331 1.00 0.00 C ATOM 1826 CG GLU B 54 34.044 -2.063 -21.247 1.00 0.00 C ATOM 1827 CD GLU B 54 33.456 -3.398 -21.709 1.00 0.00 C ATOM 1828 OE1 GLU B 54 32.258 -3.575 -21.567 1.00 0.00 O ATOM 1829 OE2 GLU B 54 34.214 -4.218 -22.199 1.00 0.00 O ATOM 0 H GLU B 54 31.307 0.129 -18.852 1.00 0.00 H new ATOM 0 HA GLU B 54 33.499 -0.606 -19.246 1.00 0.00 H new ATOM 0 HB2 GLU B 54 31.982 -1.433 -21.412 1.00 0.00 H new ATOM 0 HB3 GLU B 54 33.116 -0.375 -22.228 1.00 0.00 H new ATOM 0 HG2 GLU B 54 34.897 -1.794 -21.870 1.00 0.00 H new ATOM 0 HG3 GLU B 54 34.410 -2.149 -20.224 1.00 0.00 H new ATOM 1836 N ARG B 55 35.017 1.274 -19.742 1.00 0.00 N ATOM 1837 CA ARG B 55 35.874 2.472 -19.971 1.00 0.00 C ATOM 1838 C ARG B 55 37.251 2.048 -20.492 1.00 0.00 C ATOM 1839 O ARG B 55 37.516 0.879 -20.694 1.00 0.00 O ATOM 1840 CB ARG B 55 36.003 3.136 -18.600 1.00 0.00 C ATOM 1841 CG ARG B 55 34.627 3.213 -17.934 1.00 0.00 C ATOM 1842 CD ARG B 55 34.756 3.928 -16.587 1.00 0.00 C ATOM 1843 NE ARG B 55 33.759 3.268 -15.698 1.00 0.00 N ATOM 1844 CZ ARG B 55 33.500 3.773 -14.523 1.00 0.00 C ATOM 1845 NH1 ARG B 55 33.464 5.070 -14.364 1.00 0.00 N ATOM 1846 NH2 ARG B 55 33.278 2.986 -13.506 1.00 0.00 N ATOM 0 H ARG B 55 35.393 0.589 -19.086 1.00 0.00 H new ATOM 0 HA ARG B 55 35.448 3.147 -20.713 1.00 0.00 H new ATOM 0 HB2 ARG B 55 36.690 2.568 -17.973 1.00 0.00 H new ATOM 0 HB3 ARG B 55 36.422 4.136 -18.707 1.00 0.00 H new ATOM 0 HG2 ARG B 55 33.928 3.748 -18.577 1.00 0.00 H new ATOM 0 HG3 ARG B 55 34.224 2.211 -17.790 1.00 0.00 H new ATOM 0 HD2 ARG B 55 35.765 3.833 -16.186 1.00 0.00 H new ATOM 0 HD3 ARG B 55 34.551 4.994 -16.686 1.00 0.00 H new ATOM 0 HE ARG B 55 33.280 2.423 -16.007 1.00 0.00 H new ATOM 0 HH11 ARG B 55 33.638 5.686 -15.158 1.00 0.00 H new ATOM 0 HH12 ARG B 55 33.262 5.466 -13.446 1.00 0.00 H new ATOM 0 HH21 ARG B 55 33.307 1.974 -13.629 1.00 0.00 H new ATOM 0 HH22 ARG B 55 33.076 3.383 -12.588 1.00 0.00 H new ATOM 1860 N ASN B 56 38.128 2.991 -20.709 1.00 0.00 N ATOM 1861 CA ASN B 56 39.489 2.646 -21.214 1.00 0.00 C ATOM 1862 C ASN B 56 40.534 3.578 -20.596 1.00 0.00 C ATOM 1863 O ASN B 56 40.649 4.731 -20.965 1.00 0.00 O ATOM 1864 CB ASN B 56 39.417 2.854 -22.728 1.00 0.00 C ATOM 1865 CG ASN B 56 38.414 1.872 -23.333 1.00 0.00 C ATOM 1866 OD1 ASN B 56 37.136 2.094 -23.191 1.00 0.00 O flip ATOM 1867 ND2 ASN B 56 38.796 0.891 -23.941 1.00 0.00 N flip ATOM 0 H ASN B 56 37.961 3.986 -20.558 1.00 0.00 H new ATOM 0 HA ASN B 56 39.778 1.627 -20.956 1.00 0.00 H new ATOM 0 HB2 ASN B 56 39.118 3.878 -22.951 1.00 0.00 H new ATOM 0 HB3 ASN B 56 40.401 2.705 -23.173 1.00 0.00 H new ATOM 0 HD21 ASN B 56 39.795 0.717 -24.052 1.00 0.00 H new ATOM 0 HD22 ASN B 56 38.118 0.242 -24.340 1.00 0.00 H new ATOM 1874 N ILE B 57 41.297 3.090 -19.658 1.00 0.00 N ATOM 1875 CA ILE B 57 42.334 3.950 -19.018 1.00 0.00 C ATOM 1876 C ILE B 57 41.676 5.133 -18.305 1.00 0.00 C ATOM 1877 O ILE B 57 41.554 6.210 -18.854 1.00 0.00 O ATOM 1878 CB ILE B 57 43.212 4.439 -20.170 1.00 0.00 C ATOM 1879 CG1 ILE B 57 43.535 3.266 -21.102 1.00 0.00 C ATOM 1880 CG2 ILE B 57 44.514 5.017 -19.609 1.00 0.00 C ATOM 1881 CD1 ILE B 57 44.566 3.709 -22.142 1.00 0.00 C ATOM 0 H ILE B 57 41.248 2.134 -19.306 1.00 0.00 H new ATOM 0 HA ILE B 57 42.911 3.409 -18.268 1.00 0.00 H new ATOM 0 HB ILE B 57 42.681 5.210 -20.728 1.00 0.00 H new ATOM 0 HG12 ILE B 57 43.922 2.426 -20.526 1.00 0.00 H new ATOM 0 HG13 ILE B 57 42.628 2.921 -21.598 1.00 0.00 H new ATOM 0 HG21 ILE B 57 45.141 5.366 -20.430 1.00 0.00 H new ATOM 0 HG22 ILE B 57 44.286 5.852 -18.946 1.00 0.00 H new ATOM 0 HG23 ILE B 57 45.044 4.245 -19.051 1.00 0.00 H new ATOM 0 HD11 ILE B 57 44.796 2.875 -22.805 1.00 0.00 H new ATOM 0 HD12 ILE B 57 44.162 4.536 -22.726 1.00 0.00 H new ATOM 0 HD13 ILE B 57 45.476 4.033 -21.637 1.00 0.00 H new ATOM 1893 N ASN B 58 41.253 4.944 -17.086 1.00 0.00 N ATOM 1894 CA ASN B 58 40.608 6.063 -16.339 1.00 0.00 C ATOM 1895 C ASN B 58 41.468 6.459 -15.137 1.00 0.00 C ATOM 1896 O ASN B 58 41.265 5.989 -14.035 1.00 0.00 O ATOM 1897 CB ASN B 58 39.264 5.505 -15.872 1.00 0.00 C ATOM 1898 CG ASN B 58 39.497 4.246 -15.034 1.00 0.00 C ATOM 1899 OD1 ASN B 58 40.450 3.524 -15.252 1.00 0.00 O ATOM 1900 ND2 ASN B 58 38.662 3.950 -14.074 1.00 0.00 N ATOM 0 H ASN B 58 41.325 4.065 -16.574 1.00 0.00 H new ATOM 0 HA ASN B 58 40.488 6.955 -16.954 1.00 0.00 H new ATOM 0 HB2 ASN B 58 38.732 6.253 -15.284 1.00 0.00 H new ATOM 0 HB3 ASN B 58 38.637 5.271 -16.732 1.00 0.00 H new ATOM 0 HD21 ASN B 58 38.810 3.114 -13.509 1.00 0.00 H new ATOM 0 HD22 ASN B 58 37.862 4.555 -13.890 1.00 0.00 H new ATOM 1907 N ARG B 59 42.430 7.318 -15.340 1.00 0.00 N ATOM 1908 CA ARG B 59 43.304 7.739 -14.207 1.00 0.00 C ATOM 1909 C ARG B 59 42.836 9.083 -13.643 1.00 0.00 C ATOM 1910 O ARG B 59 42.128 9.828 -14.292 1.00 0.00 O ATOM 1911 CB ARG B 59 44.702 7.871 -14.810 1.00 0.00 C ATOM 1912 CG ARG B 59 45.236 6.483 -15.170 1.00 0.00 C ATOM 1913 CD ARG B 59 45.286 6.336 -16.693 1.00 0.00 C ATOM 1914 NE ARG B 59 46.735 6.280 -17.027 1.00 0.00 N ATOM 1915 CZ ARG B 59 47.251 7.158 -17.843 1.00 0.00 C ATOM 1916 NH1 ARG B 59 47.244 8.424 -17.524 1.00 0.00 N ATOM 1917 NH2 ARG B 59 47.772 6.772 -18.975 1.00 0.00 N ATOM 0 H ARG B 59 42.648 7.746 -16.240 1.00 0.00 H new ATOM 0 HA ARG B 59 43.280 7.025 -13.384 1.00 0.00 H new ATOM 0 HB2 ARG B 59 44.668 8.501 -15.699 1.00 0.00 H new ATOM 0 HB3 ARG B 59 45.371 8.357 -14.100 1.00 0.00 H new ATOM 0 HG2 ARG B 59 46.231 6.343 -14.747 1.00 0.00 H new ATOM 0 HG3 ARG B 59 44.596 5.712 -14.740 1.00 0.00 H new ATOM 0 HD2 ARG B 59 44.771 5.433 -17.019 1.00 0.00 H new ATOM 0 HD3 ARG B 59 44.799 7.177 -17.187 1.00 0.00 H new ATOM 0 HE ARG B 59 47.325 5.555 -16.618 1.00 0.00 H new ATOM 0 HH11 ARG B 59 46.836 8.725 -16.639 1.00 0.00 H new ATOM 0 HH12 ARG B 59 47.647 9.112 -18.160 1.00 0.00 H new ATOM 0 HH21 ARG B 59 47.776 5.783 -19.223 1.00 0.00 H new ATOM 0 HH22 ARG B 59 48.175 7.459 -19.612 1.00 0.00 H new ATOM 1931 N ALA B 60 43.227 9.398 -12.439 1.00 0.00 N ATOM 1932 CA ALA B 60 42.806 10.693 -11.832 1.00 0.00 C ATOM 1933 C ALA B 60 43.405 10.841 -10.431 1.00 0.00 C ATOM 1934 O ALA B 60 43.123 9.995 -9.596 1.00 0.00 O ATOM 1935 CB ALA B 60 41.282 10.617 -11.757 1.00 0.00 C ATOM 1936 OXT ALA B 60 44.133 11.795 -10.215 1.00 0.00 O ATOM 0 H ALA B 60 43.820 8.815 -11.849 1.00 0.00 H new ATOM 0 HA ALA B 60 43.144 11.551 -12.414 1.00 0.00 H new ATOM 0 HB1 ALA B 60 40.893 11.536 -11.320 1.00 0.00 H new ATOM 0 HB2 ALA B 60 40.874 10.491 -12.760 1.00 0.00 H new ATOM 0 HB3 ALA B 60 40.990 9.769 -11.138 1.00 0.00 H new TER 1942 ALA B 60