USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 919 hydrogens (12 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 93 ASN : amide:sc= -3.76! X(o=-5.7!,f=-5.4) USER MOD Set 1.2: A 96 LYS NZ :NH3+ 176:sc= -1.9 (180deg=-2.25) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -159:sc= -0.0592 (180deg=-0.646) USER MOD Single : A 3 LYS NZ :NH3+ 151:sc= -0.085 (180deg=-0.76) USER MOD Single : A 4 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.3!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 171:sc= -1.2 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 164:sc= -1.64 (180deg=-1.84) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS :FLIP no HD1:sc= -0.218 F(o=-0.93,f=-0.22) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 91:sc= -0.276 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.00264 USER MOD Single : A 51 ASN :FLIP amide:sc= -2.02 F(o=-3.5!,f=-2) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 67 SER OG : rot 100:sc= 1 USER MOD Single : A 72 LYS NZ :NH3+ 165:sc=-0.00528 (180deg=-0.235) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.817 USER MOD Single : A 76 THR OG1 : rot -50:sc= -1.16! USER MOD Single : A 78 GLN : amide:sc= -4.04! C(o=-4!,f=-4.8!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN :FLIP amide:sc= -0.442 F(o=-3.1!,f=-0.44) USER MOD Single : A 85 LYS NZ :NH3+ 138:sc= -0.283 (180deg=-1.3!) USER MOD Single : A 90 SER OG : rot 103:sc= 0.635 USER MOD Single : A 94 LYS NZ :NH3+ -149:sc= -0.883 (180deg=-2.68!) USER MOD Single : A 100 THR OG1 : rot 73:sc= -0.452 USER MOD Single : A 102 ASN : amide:sc= -1.61 K(o=-1.6,f=-3.8!) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 TYR OH : rot 1:sc= -2.76 USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 12 HIS : no HD1:sc= -2.91! C(o=-2.9!,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.642 -2.103 8.106 1.00 0.73 N ATOM 2 CA MET A 1 -6.519 -2.485 9.009 1.00 0.31 C ATOM 3 C MET A 1 -5.193 -2.366 8.252 1.00 0.24 C ATOM 4 O MET A 1 -5.114 -2.647 7.073 1.00 0.21 O ATOM 5 CB MET A 1 -6.713 -3.929 9.479 1.00 0.70 C ATOM 6 CG MET A 1 -8.157 -4.126 9.947 1.00 1.55 C ATOM 7 SD MET A 1 -8.309 -5.729 10.776 1.00 2.25 S ATOM 8 CE MET A 1 -10.078 -5.634 11.141 1.00 2.89 C ATOM 0 H1 MET A 1 -8.471 -1.838 8.676 1.00 0.73 H new ATOM 0 H2 MET A 1 -7.354 -1.296 7.517 1.00 0.73 H new ATOM 0 H3 MET A 1 -7.885 -2.908 7.495 1.00 0.73 H new ATOM 0 HA MET A 1 -6.504 -1.821 9.873 1.00 0.31 H new ATOM 0 HB2 MET A 1 -6.485 -4.620 8.667 1.00 0.70 H new ATOM 0 HB3 MET A 1 -6.023 -4.154 10.292 1.00 0.70 H new ATOM 0 HG2 MET A 1 -8.443 -3.324 10.628 1.00 1.55 H new ATOM 0 HG3 MET A 1 -8.836 -4.079 9.096 1.00 1.55 H new ATOM 0 HE1 MET A 1 -10.391 -6.539 11.662 1.00 2.89 H new ATOM 0 HE2 MET A 1 -10.273 -4.766 11.771 1.00 2.89 H new ATOM 0 HE3 MET A 1 -10.637 -5.539 10.210 1.00 2.89 H new ATOM 20 N VAL A 2 -4.151 -1.948 8.922 1.00 0.24 N ATOM 21 CA VAL A 2 -2.825 -1.803 8.245 1.00 0.19 C ATOM 22 C VAL A 2 -1.996 -3.073 8.460 1.00 0.22 C ATOM 23 O VAL A 2 -2.263 -3.858 9.347 1.00 0.28 O ATOM 24 CB VAL A 2 -2.082 -0.605 8.840 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.679 -0.513 8.232 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.861 0.677 8.532 1.00 0.30 C ATOM 0 H VAL A 2 -4.160 -1.700 9.911 1.00 0.24 H new ATOM 0 HA VAL A 2 -2.978 -1.647 7.177 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.996 -0.730 9.919 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.153 0.341 8.658 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.126 -1.426 8.453 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.758 -0.389 7.152 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.335 1.533 8.954 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.947 0.800 7.452 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.857 0.612 8.970 1.00 0.30 H new ATOM 36 N LYS A 3 -0.988 -3.277 7.653 1.00 0.18 N ATOM 37 CA LYS A 3 -0.134 -4.491 7.809 1.00 0.22 C ATOM 38 C LYS A 3 1.246 -4.215 7.208 1.00 0.16 C ATOM 39 O LYS A 3 1.371 -3.865 6.051 1.00 0.13 O ATOM 40 CB LYS A 3 -0.774 -5.681 7.082 1.00 0.26 C ATOM 41 CG LYS A 3 -0.139 -6.983 7.574 1.00 0.34 C ATOM 42 CD LYS A 3 -0.649 -8.155 6.734 1.00 0.81 C ATOM 43 CE LYS A 3 0.074 -9.436 7.152 1.00 1.37 C ATOM 44 NZ LYS A 3 -0.025 -9.601 8.631 1.00 1.97 N ATOM 0 H LYS A 3 -0.719 -2.654 6.891 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.039 -4.729 8.868 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.849 -5.697 7.264 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.635 -5.580 6.006 1.00 0.26 H new ATOM 0 HG2 LYS A 3 0.947 -6.918 7.504 1.00 0.34 H new ATOM 0 HG3 LYS A 3 -0.382 -7.143 8.624 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.724 -8.272 6.868 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -0.480 -7.958 5.675 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.367 -10.296 6.649 1.00 1.37 H new ATOM 0 HE3 LYS A 3 1.120 -9.392 6.849 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 -0.002 -10.613 8.870 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 0.775 -9.119 9.088 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 -0.917 -9.187 8.968 1.00 1.97 H new ATOM 58 N GLN A 4 2.284 -4.368 7.987 1.00 0.18 N ATOM 59 CA GLN A 4 3.659 -4.112 7.466 1.00 0.15 C ATOM 60 C GLN A 4 4.240 -5.406 6.887 1.00 0.13 C ATOM 61 O GLN A 4 4.151 -6.464 7.480 1.00 0.14 O ATOM 62 CB GLN A 4 4.544 -3.606 8.616 1.00 0.20 C ATOM 63 CG GLN A 4 6.031 -3.693 8.229 1.00 0.21 C ATOM 64 CD GLN A 4 6.859 -2.771 9.127 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.322 -1.920 9.809 1.00 0.81 O ATOM 66 NE2 GLN A 4 8.158 -2.905 9.155 1.00 0.98 N ATOM 0 H GLN A 4 2.239 -4.660 8.963 1.00 0.18 H new ATOM 0 HA GLN A 4 3.622 -3.360 6.678 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.284 -2.575 8.856 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.360 -4.198 9.512 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.381 -4.720 8.327 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.161 -3.410 7.184 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.610 -3.619 8.583 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.721 -2.296 9.749 1.00 0.98 H new ATOM 75 N ILE A 5 4.847 -5.320 5.732 1.00 0.10 N ATOM 76 CA ILE A 5 5.465 -6.521 5.087 1.00 0.10 C ATOM 77 C ILE A 5 6.989 -6.375 5.170 1.00 0.10 C ATOM 78 O ILE A 5 7.573 -5.545 4.501 1.00 0.11 O ATOM 79 CB ILE A 5 5.058 -6.575 3.613 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.555 -6.234 3.451 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.395 -7.947 3.015 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.644 -7.133 4.313 1.00 0.19 C ATOM 0 H ILE A 5 4.943 -4.456 5.199 1.00 0.10 H new ATOM 0 HA ILE A 5 5.133 -7.429 5.591 1.00 0.10 H new ATOM 0 HB ILE A 5 5.626 -5.825 3.063 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.392 -5.191 3.723 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.274 -6.338 2.403 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.099 -7.969 1.966 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.468 -8.125 3.094 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.858 -8.723 3.560 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.603 -6.849 4.160 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.783 -8.175 4.024 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.902 -7.011 5.365 1.00 0.19 H new ATOM 94 N GLU A 6 7.637 -7.161 5.984 1.00 0.11 N ATOM 95 CA GLU A 6 9.124 -7.055 6.107 1.00 0.14 C ATOM 96 C GLU A 6 9.785 -8.148 5.260 1.00 0.14 C ATOM 97 O GLU A 6 10.993 -8.204 5.132 1.00 0.17 O ATOM 98 CB GLU A 6 9.509 -7.238 7.572 1.00 0.18 C ATOM 99 CG GLU A 6 8.576 -6.404 8.452 1.00 0.31 C ATOM 100 CD GLU A 6 9.032 -6.494 9.909 1.00 1.20 C ATOM 101 OE1 GLU A 6 9.879 -7.324 10.194 1.00 1.97 O ATOM 102 OE2 GLU A 6 8.526 -5.730 10.715 1.00 1.96 O ATOM 0 H GLU A 6 7.204 -7.874 6.571 1.00 0.11 H new ATOM 0 HA GLU A 6 9.459 -6.079 5.756 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.442 -8.290 7.848 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.544 -6.932 7.728 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.580 -5.365 8.122 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.552 -6.764 8.358 1.00 0.31 H new ATOM 109 N SER A 7 9.000 -9.013 4.674 1.00 0.13 N ATOM 110 CA SER A 7 9.574 -10.101 3.827 1.00 0.15 C ATOM 111 C SER A 7 8.559 -10.495 2.753 1.00 0.14 C ATOM 112 O SER A 7 7.365 -10.477 2.977 1.00 0.12 O ATOM 113 CB SER A 7 9.893 -11.310 4.702 1.00 0.20 C ATOM 114 OG SER A 7 8.695 -11.786 5.303 1.00 0.23 O ATOM 0 H SER A 7 7.983 -9.013 4.745 1.00 0.13 H new ATOM 0 HA SER A 7 10.489 -9.751 3.349 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.350 -12.097 4.102 1.00 0.20 H new ATOM 0 HB3 SER A 7 10.615 -11.036 5.471 1.00 0.20 H new ATOM 0 HG SER A 7 8.897 -12.564 5.864 1.00 0.23 H new ATOM 120 N LYS A 8 9.022 -10.841 1.584 1.00 0.15 N ATOM 121 CA LYS A 8 8.080 -11.223 0.495 1.00 0.14 C ATOM 122 C LYS A 8 7.115 -12.301 1.000 1.00 0.14 C ATOM 123 O LYS A 8 6.022 -12.452 0.498 1.00 0.13 O ATOM 124 CB LYS A 8 8.877 -11.747 -0.711 1.00 0.17 C ATOM 125 CG LYS A 8 8.025 -11.652 -1.981 1.00 0.21 C ATOM 126 CD LYS A 8 8.878 -11.991 -3.212 1.00 0.22 C ATOM 127 CE LYS A 8 9.280 -13.475 -3.207 1.00 1.06 C ATOM 128 NZ LYS A 8 9.450 -13.938 -4.614 1.00 1.90 N ATOM 0 H LYS A 8 10.011 -10.876 1.336 1.00 0.15 H new ATOM 0 HA LYS A 8 7.503 -10.350 0.189 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.792 -11.168 -0.833 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.175 -12.781 -0.539 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.180 -12.337 -1.914 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.614 -10.647 -2.079 1.00 0.21 H new ATOM 0 HD2 LYS A 8 8.320 -11.764 -4.120 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.772 -11.368 -3.223 1.00 0.22 H new ATOM 0 HE2 LYS A 8 10.208 -13.612 -2.651 1.00 1.06 H new ATOM 0 HE3 LYS A 8 8.517 -14.070 -2.705 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 9.722 -14.942 -4.619 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 8.554 -13.820 -5.129 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 10.192 -13.376 -5.077 1.00 1.90 H new ATOM 142 N THR A 9 7.503 -13.050 1.991 1.00 0.16 N ATOM 143 CA THR A 9 6.593 -14.104 2.518 1.00 0.18 C ATOM 144 C THR A 9 5.315 -13.452 3.059 1.00 0.16 C ATOM 145 O THR A 9 4.218 -13.920 2.826 1.00 0.17 O ATOM 146 CB THR A 9 7.295 -14.863 3.635 1.00 0.21 C ATOM 147 OG1 THR A 9 8.563 -15.310 3.176 1.00 0.24 O ATOM 148 CG2 THR A 9 6.449 -16.064 4.059 1.00 0.25 C ATOM 0 H THR A 9 8.407 -12.980 2.458 1.00 0.16 H new ATOM 0 HA THR A 9 6.332 -14.797 1.718 1.00 0.18 H new ATOM 0 HB THR A 9 7.429 -14.202 4.492 1.00 0.21 H new ATOM 0 HG1 THR A 9 9.018 -15.798 3.894 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.957 -16.603 4.859 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.478 -15.718 4.414 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.308 -16.728 3.207 1.00 0.25 H new ATOM 156 N ALA A 10 5.455 -12.372 3.779 1.00 0.16 N ATOM 157 CA ALA A 10 4.259 -11.677 4.343 1.00 0.17 C ATOM 158 C ALA A 10 3.464 -11.013 3.215 1.00 0.15 C ATOM 159 O ALA A 10 2.284 -10.751 3.349 1.00 0.17 O ATOM 160 CB ALA A 10 4.720 -10.614 5.344 1.00 0.20 C ATOM 0 H ALA A 10 6.351 -11.938 4.003 1.00 0.16 H new ATOM 0 HA ALA A 10 3.621 -12.403 4.847 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.851 -10.104 5.759 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.279 -11.091 6.149 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.359 -9.890 4.838 1.00 0.20 H new ATOM 166 N PHE A 11 4.096 -10.735 2.108 1.00 0.12 N ATOM 167 CA PHE A 11 3.367 -10.082 0.984 1.00 0.11 C ATOM 168 C PHE A 11 2.191 -10.957 0.553 1.00 0.13 C ATOM 169 O PHE A 11 1.050 -10.583 0.701 1.00 0.16 O ATOM 170 CB PHE A 11 4.315 -9.886 -0.207 1.00 0.10 C ATOM 171 CG PHE A 11 3.565 -9.269 -1.367 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.144 -7.928 -1.302 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.296 -10.037 -2.519 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.452 -7.354 -2.387 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.604 -9.462 -3.602 1.00 0.18 C ATOM 176 CZ PHE A 11 2.183 -8.122 -3.537 1.00 0.21 C ATOM 0 H PHE A 11 5.082 -10.931 1.933 1.00 0.12 H new ATOM 0 HA PHE A 11 2.997 -9.113 1.318 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.147 -9.244 0.082 1.00 0.10 H new ATOM 0 HB3 PHE A 11 4.740 -10.844 -0.506 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.351 -7.339 -0.421 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.621 -11.066 -2.570 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.128 -6.325 -2.337 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.396 -10.051 -4.483 1.00 0.18 H new ATOM 0 HZ PHE A 11 1.653 -7.681 -4.369 1.00 0.21 H new ATOM 186 N GLN A 12 2.460 -12.118 0.017 1.00 0.15 N ATOM 187 CA GLN A 12 1.349 -13.007 -0.433 1.00 0.19 C ATOM 188 C GLN A 12 0.393 -13.278 0.730 1.00 0.17 C ATOM 189 O GLN A 12 -0.812 -13.217 0.581 1.00 0.16 O ATOM 190 CB GLN A 12 1.926 -14.333 -0.936 1.00 0.24 C ATOM 191 CG GLN A 12 3.019 -14.053 -1.970 1.00 1.21 C ATOM 192 CD GLN A 12 3.542 -15.375 -2.536 1.00 1.77 C ATOM 193 OE1 GLN A 12 2.892 -16.480 -2.288 1.00 2.35 O flip ATOM 194 NE2 GLN A 12 4.551 -15.403 -3.212 1.00 2.47 N flip ATOM 0 H GLN A 12 3.399 -12.489 -0.128 1.00 0.15 H new ATOM 0 HA GLN A 12 0.804 -12.515 -1.239 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.336 -14.903 -0.102 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.137 -14.940 -1.380 1.00 0.24 H new ATOM 0 HG2 GLN A 12 2.623 -13.433 -2.774 1.00 1.21 H new ATOM 0 HG3 GLN A 12 3.834 -13.495 -1.510 1.00 1.21 H new ATOM 0 HE21 GLN A 12 5.059 -14.540 -3.406 1.00 2.47 H new ATOM 0 HE22 GLN A 12 4.890 -16.289 -3.586 1.00 2.47 H new ATOM 203 N GLU A 13 0.915 -13.578 1.884 1.00 0.19 N ATOM 204 CA GLU A 13 0.029 -13.855 3.045 1.00 0.20 C ATOM 205 C GLU A 13 -0.870 -12.643 3.300 1.00 0.18 C ATOM 206 O GLU A 13 -2.016 -12.780 3.679 1.00 0.19 O ATOM 207 CB GLU A 13 0.890 -14.137 4.280 1.00 0.25 C ATOM 208 CG GLU A 13 1.402 -15.581 4.245 1.00 0.30 C ATOM 209 CD GLU A 13 2.405 -15.796 5.381 1.00 1.29 C ATOM 210 OE1 GLU A 13 2.655 -14.851 6.112 1.00 2.03 O ATOM 211 OE2 GLU A 13 2.908 -16.901 5.499 1.00 2.10 O ATOM 0 H GLU A 13 1.915 -13.643 2.073 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.595 -14.724 2.835 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.732 -13.445 4.312 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.306 -13.971 5.186 1.00 0.25 H new ATOM 0 HG2 GLU A 13 0.568 -16.276 4.346 1.00 0.30 H new ATOM 0 HG3 GLU A 13 1.875 -15.787 3.285 1.00 0.30 H new ATOM 218 N ALA A 14 -0.365 -11.457 3.097 1.00 0.18 N ATOM 219 CA ALA A 14 -1.205 -10.251 3.330 1.00 0.18 C ATOM 220 C ALA A 14 -2.411 -10.288 2.385 1.00 0.18 C ATOM 221 O ALA A 14 -3.541 -10.097 2.789 1.00 0.19 O ATOM 222 CB ALA A 14 -0.378 -8.998 3.052 1.00 0.20 C ATOM 0 H ALA A 14 0.587 -11.273 2.782 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.550 -10.236 4.364 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.991 -8.113 3.222 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.484 -8.976 3.718 1.00 0.20 H new ATOM 0 HB3 ALA A 14 -0.036 -9.010 2.017 1.00 0.20 H new ATOM 228 N LEU A 15 -2.171 -10.536 1.124 1.00 0.17 N ATOM 229 CA LEU A 15 -3.286 -10.593 0.129 1.00 0.18 C ATOM 230 C LEU A 15 -4.222 -11.758 0.462 1.00 0.18 C ATOM 231 O LEU A 15 -5.428 -11.635 0.397 1.00 0.18 O ATOM 232 CB LEU A 15 -2.706 -10.786 -1.280 1.00 0.19 C ATOM 233 CG LEU A 15 -1.443 -9.939 -1.443 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.954 -10.026 -2.889 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.753 -8.478 -1.101 1.00 0.62 C ATOM 0 H LEU A 15 -1.242 -10.703 0.736 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.849 -9.660 0.167 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.473 -11.838 -1.446 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.445 -10.501 -2.029 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.670 -10.313 -0.771 1.00 0.24 H new ATOM 0 HD11 LEU A 15 -0.054 -9.422 -3.006 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.729 -11.064 -3.135 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.730 -9.654 -3.558 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.851 -7.878 -1.218 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.527 -8.104 -1.771 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -2.102 -8.412 -0.070 1.00 0.62 H new ATOM 247 N ASP A 16 -3.678 -12.891 0.812 1.00 0.19 N ATOM 248 CA ASP A 16 -4.545 -14.058 1.142 1.00 0.21 C ATOM 249 C ASP A 16 -5.392 -13.732 2.373 1.00 0.20 C ATOM 250 O ASP A 16 -6.548 -14.098 2.459 1.00 0.20 O ATOM 251 CB ASP A 16 -3.668 -15.280 1.428 1.00 0.24 C ATOM 252 CG ASP A 16 -4.552 -16.516 1.600 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.757 -16.382 1.462 1.00 1.09 O ATOM 254 OD2 ASP A 16 -4.010 -17.576 1.867 1.00 1.07 O ATOM 0 H ASP A 16 -2.675 -13.059 0.884 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.202 -14.274 0.299 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.964 -15.435 0.610 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -3.078 -15.114 2.329 1.00 0.24 H new ATOM 259 N ALA A 17 -4.827 -13.046 3.329 1.00 0.22 N ATOM 260 CA ALA A 17 -5.601 -12.696 4.553 1.00 0.24 C ATOM 261 C ALA A 17 -6.493 -11.482 4.273 1.00 0.21 C ATOM 262 O ALA A 17 -7.419 -11.199 5.005 1.00 0.22 O ATOM 263 CB ALA A 17 -4.630 -12.360 5.688 1.00 0.30 C ATOM 0 H ALA A 17 -3.863 -12.713 3.315 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.224 -13.543 4.840 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -5.194 -12.103 6.585 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.996 -13.223 5.892 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -4.008 -11.514 5.396 1.00 0.30 H new ATOM 269 N ALA A 18 -6.219 -10.761 3.219 1.00 0.21 N ATOM 270 CA ALA A 18 -7.048 -9.563 2.898 1.00 0.22 C ATOM 271 C ALA A 18 -8.452 -10.002 2.472 1.00 0.21 C ATOM 272 O ALA A 18 -9.327 -9.186 2.257 1.00 0.24 O ATOM 273 CB ALA A 18 -6.393 -8.779 1.761 1.00 0.23 C ATOM 0 H ALA A 18 -5.458 -10.949 2.567 1.00 0.21 H new ATOM 0 HA ALA A 18 -7.122 -8.931 3.783 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.999 -7.904 1.526 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.397 -8.460 2.066 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.316 -9.414 0.878 1.00 0.23 H new ATOM 279 N GLY A 19 -8.677 -11.280 2.348 1.00 0.22 N ATOM 280 CA GLY A 19 -10.027 -11.763 1.936 1.00 0.24 C ATOM 281 C GLY A 19 -10.305 -11.340 0.492 1.00 0.20 C ATOM 282 O GLY A 19 -9.721 -11.862 -0.437 1.00 0.28 O ATOM 0 H GLY A 19 -7.986 -12.012 2.514 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -10.079 -12.848 2.024 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.789 -11.353 2.599 1.00 0.24 H new ATOM 286 N ASP A 20 -11.197 -10.399 0.295 1.00 0.13 N ATOM 287 CA ASP A 20 -11.523 -9.937 -1.093 1.00 0.18 C ATOM 288 C ASP A 20 -11.650 -8.410 -1.113 1.00 0.15 C ATOM 289 O ASP A 20 -11.974 -7.824 -2.127 1.00 0.22 O ATOM 290 CB ASP A 20 -12.847 -10.565 -1.537 1.00 0.26 C ATOM 291 CG ASP A 20 -12.775 -12.085 -1.372 1.00 1.43 C ATOM 292 OD1 ASP A 20 -11.716 -12.637 -1.616 1.00 2.19 O ATOM 293 OD2 ASP A 20 -13.781 -12.670 -1.005 1.00 2.21 O ATOM 0 H ASP A 20 -11.715 -9.929 1.037 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.727 -10.240 -1.773 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -13.669 -10.163 -0.944 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -13.051 -10.311 -2.577 1.00 0.26 H new ATOM 298 N LYS A 21 -11.394 -7.756 -0.010 1.00 0.12 N ATOM 299 CA LYS A 21 -11.499 -6.271 0.009 1.00 0.19 C ATOM 300 C LYS A 21 -10.357 -5.684 -0.818 1.00 0.15 C ATOM 301 O LYS A 21 -9.412 -6.368 -1.157 1.00 0.15 O ATOM 302 CB LYS A 21 -11.402 -5.775 1.453 1.00 0.27 C ATOM 303 CG LYS A 21 -12.758 -5.934 2.143 1.00 0.29 C ATOM 304 CD LYS A 21 -12.589 -5.723 3.646 1.00 0.30 C ATOM 305 CE LYS A 21 -13.954 -5.449 4.284 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.795 -5.285 5.757 1.00 1.90 N ATOM 0 H LYS A 21 -11.118 -8.185 0.873 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.454 -5.958 -0.413 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.640 -6.339 1.991 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.095 -4.729 1.469 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.470 -5.213 1.741 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.164 -6.926 1.947 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -12.136 -6.605 4.098 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.915 -4.887 3.832 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.394 -4.549 3.853 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.637 -6.271 4.071 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.723 -5.099 6.188 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.393 -6.155 6.162 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.157 -4.487 5.951 1.00 1.90 H new ATOM 320 N LEU A 22 -10.434 -4.426 -1.154 1.00 0.13 N ATOM 321 CA LEU A 22 -9.349 -3.823 -1.965 1.00 0.11 C ATOM 322 C LEU A 22 -8.040 -3.875 -1.153 1.00 0.10 C ATOM 323 O LEU A 22 -8.058 -4.022 0.053 1.00 0.11 O ATOM 324 CB LEU A 22 -9.723 -2.358 -2.303 1.00 0.12 C ATOM 325 CG LEU A 22 -9.395 -2.004 -3.768 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.689 -0.509 -3.997 1.00 0.17 C ATOM 327 CD2 LEU A 22 -7.916 -2.296 -4.083 1.00 0.11 C ATOM 0 H LEU A 22 -11.196 -3.797 -0.903 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.214 -4.373 -2.896 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.787 -2.204 -2.122 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.185 -1.683 -1.637 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.011 -2.614 -4.428 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.461 -0.247 -5.030 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.742 -0.310 -3.797 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.073 0.090 -3.326 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.708 -2.039 -5.122 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.280 -1.701 -3.427 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.712 -3.355 -3.924 1.00 0.11 H new ATOM 339 N VAL A 23 -6.911 -3.749 -1.802 1.00 0.08 N ATOM 340 CA VAL A 23 -5.612 -3.785 -1.072 1.00 0.09 C ATOM 341 C VAL A 23 -4.635 -2.803 -1.729 1.00 0.08 C ATOM 342 O VAL A 23 -4.118 -3.055 -2.798 1.00 0.09 O ATOM 343 CB VAL A 23 -5.030 -5.200 -1.141 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.948 -5.358 -0.072 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.141 -6.219 -0.891 1.00 0.10 C ATOM 0 H VAL A 23 -6.835 -3.622 -2.811 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.770 -3.505 -0.030 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.596 -5.367 -2.127 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.533 -6.365 -0.120 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.155 -4.630 -0.246 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.383 -5.192 0.913 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.728 -7.227 -0.940 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.573 -6.051 0.095 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.915 -6.107 -1.650 1.00 0.10 H new ATOM 355 N VAL A 24 -4.372 -1.692 -1.087 1.00 0.08 N ATOM 356 CA VAL A 24 -3.417 -0.691 -1.655 1.00 0.08 C ATOM 357 C VAL A 24 -2.093 -0.816 -0.897 1.00 0.08 C ATOM 358 O VAL A 24 -2.066 -0.901 0.314 1.00 0.08 O ATOM 359 CB VAL A 24 -3.989 0.717 -1.494 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.201 1.693 -2.371 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.457 0.724 -1.918 1.00 0.09 C ATOM 0 H VAL A 24 -4.780 -1.434 -0.189 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.257 -0.876 -2.717 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.911 1.022 -0.450 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.609 2.697 -2.256 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.154 1.690 -2.068 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.278 1.388 -3.415 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.864 1.729 -1.803 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.536 0.418 -2.961 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.020 0.031 -1.293 1.00 0.09 H new ATOM 371 N VAL A 25 -0.996 -0.854 -1.608 1.00 0.09 N ATOM 372 CA VAL A 25 0.345 -1.004 -0.955 1.00 0.09 C ATOM 373 C VAL A 25 1.125 0.302 -1.057 1.00 0.10 C ATOM 374 O VAL A 25 1.111 0.961 -2.070 1.00 0.17 O ATOM 375 CB VAL A 25 1.134 -2.096 -1.684 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.315 -2.541 -0.822 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.222 -3.296 -1.959 1.00 0.09 C ATOM 0 H VAL A 25 -0.969 -0.787 -2.625 1.00 0.09 H new ATOM 0 HA VAL A 25 0.203 -1.265 0.094 1.00 0.09 H new ATOM 0 HB VAL A 25 1.505 -1.699 -2.629 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.874 -3.318 -1.344 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.968 -1.689 -0.632 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.946 -2.934 0.126 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.787 -4.071 -2.478 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.154 -3.691 -1.015 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.617 -2.981 -2.580 1.00 0.09 H new ATOM 387 N ASP A 26 1.821 0.666 -0.013 1.00 0.08 N ATOM 388 CA ASP A 26 2.630 1.924 -0.031 1.00 0.08 C ATOM 389 C ASP A 26 4.118 1.563 -0.056 1.00 0.08 C ATOM 390 O ASP A 26 4.707 1.256 0.961 1.00 0.09 O ATOM 391 CB ASP A 26 2.325 2.734 1.233 1.00 0.09 C ATOM 392 CG ASP A 26 3.294 3.913 1.340 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.475 4.597 0.346 1.00 0.93 O ATOM 394 OD2 ASP A 26 3.841 4.110 2.412 1.00 0.96 O ATOM 0 H ASP A 26 1.865 0.142 0.861 1.00 0.08 H new ATOM 0 HA ASP A 26 2.381 2.513 -0.914 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.298 3.097 1.204 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.413 2.098 2.114 1.00 0.09 H new ATOM 399 N PHE A 27 4.737 1.610 -1.203 1.00 0.08 N ATOM 400 CA PHE A 27 6.188 1.285 -1.281 1.00 0.09 C ATOM 401 C PHE A 27 6.969 2.568 -1.006 1.00 0.11 C ATOM 402 O PHE A 27 7.451 3.217 -1.913 1.00 0.13 O ATOM 403 CB PHE A 27 6.518 0.808 -2.689 1.00 0.10 C ATOM 404 CG PHE A 27 6.109 -0.636 -2.878 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.771 -0.967 -3.173 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.074 -1.653 -2.771 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.404 -2.315 -3.357 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.706 -2.999 -2.956 1.00 0.21 C ATOM 409 CZ PHE A 27 5.372 -3.330 -3.249 1.00 0.23 C ATOM 0 H PHE A 27 4.300 1.860 -2.090 1.00 0.08 H new ATOM 0 HA PHE A 27 6.445 0.509 -0.560 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.005 1.434 -3.419 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.587 0.915 -2.872 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.028 -0.188 -3.258 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.100 -1.401 -2.546 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.379 -2.569 -3.581 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.449 -3.778 -2.873 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.090 -4.363 -3.391 1.00 0.23 H new ATOM 419 N SER A 28 7.079 2.941 0.237 1.00 0.11 N ATOM 420 CA SER A 28 7.809 4.191 0.598 1.00 0.12 C ATOM 421 C SER A 28 9.139 3.832 1.250 1.00 0.10 C ATOM 422 O SER A 28 9.611 2.716 1.162 1.00 0.11 O ATOM 423 CB SER A 28 6.963 4.987 1.594 1.00 0.17 C ATOM 424 OG SER A 28 5.807 5.485 0.937 1.00 1.03 O ATOM 0 H SER A 28 6.690 2.428 1.029 1.00 0.11 H new ATOM 0 HA SER A 28 7.991 4.784 -0.299 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.674 4.352 2.432 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.545 5.812 2.005 1.00 0.17 H new ATOM 0 HG SER A 28 5.194 5.868 1.599 1.00 1.03 H new ATOM 430 N ALA A 29 9.743 4.777 1.911 1.00 0.10 N ATOM 431 CA ALA A 29 11.049 4.519 2.589 1.00 0.15 C ATOM 432 C ALA A 29 11.054 5.256 3.932 1.00 0.18 C ATOM 433 O ALA A 29 10.848 6.451 4.001 1.00 0.26 O ATOM 434 CB ALA A 29 12.187 5.026 1.696 1.00 0.19 C ATOM 0 H ALA A 29 9.387 5.727 2.013 1.00 0.10 H new ATOM 0 HA ALA A 29 11.188 3.452 2.762 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.143 4.841 2.185 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.161 4.502 0.740 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.067 6.096 1.527 1.00 0.19 H new ATOM 440 N THR A 30 11.272 4.540 4.999 1.00 0.18 N ATOM 441 CA THR A 30 11.271 5.180 6.348 1.00 0.23 C ATOM 442 C THR A 30 12.426 6.179 6.470 1.00 0.26 C ATOM 443 O THR A 30 12.368 7.109 7.249 1.00 0.31 O ATOM 444 CB THR A 30 11.412 4.098 7.423 1.00 0.26 C ATOM 445 OG1 THR A 30 11.210 4.679 8.704 1.00 0.32 O ATOM 446 CG2 THR A 30 12.810 3.479 7.358 1.00 0.28 C ATOM 0 H THR A 30 11.452 3.536 4.997 1.00 0.18 H new ATOM 0 HA THR A 30 10.332 5.716 6.483 1.00 0.23 H new ATOM 0 HB THR A 30 10.668 3.320 7.251 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.298 3.989 9.394 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.904 2.710 8.125 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.965 3.032 6.376 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.559 4.253 7.527 1.00 0.28 H new ATOM 454 N TRP A 31 13.480 5.997 5.719 1.00 0.26 N ATOM 455 CA TRP A 31 14.635 6.942 5.815 1.00 0.32 C ATOM 456 C TRP A 31 14.445 8.109 4.841 1.00 0.32 C ATOM 457 O TRP A 31 15.114 9.118 4.934 1.00 0.36 O ATOM 458 CB TRP A 31 15.940 6.190 5.492 1.00 0.34 C ATOM 459 CG TRP A 31 16.023 5.883 4.030 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.683 4.702 3.461 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.478 6.745 2.949 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.893 4.786 2.096 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.377 6.028 1.727 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.958 8.074 2.906 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.740 6.611 0.504 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.323 8.663 1.683 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.212 7.935 0.481 1.00 0.40 C ATOM 0 H TRP A 31 13.593 5.239 5.046 1.00 0.26 H new ATOM 0 HA TRP A 31 14.690 7.341 6.828 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.797 6.793 5.792 1.00 0.34 H new ATOM 0 HB3 TRP A 31 15.985 5.265 6.066 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.309 3.836 3.987 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.713 4.025 1.442 1.00 0.25 H new ATOM 0 HE3 TRP A 31 17.045 8.642 3.821 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.657 6.047 -0.413 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.690 9.678 1.664 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.489 8.394 -0.457 1.00 0.40 H new ATOM 478 N CYS A 32 13.541 7.985 3.906 1.00 0.28 N ATOM 479 CA CYS A 32 13.326 9.088 2.922 1.00 0.30 C ATOM 480 C CYS A 32 12.195 10.006 3.407 1.00 0.31 C ATOM 481 O CYS A 32 11.134 9.559 3.798 1.00 0.29 O ATOM 482 CB CYS A 32 12.985 8.461 1.562 1.00 0.28 C ATOM 483 SG CYS A 32 13.580 9.526 0.221 1.00 0.32 S ATOM 0 H CYS A 32 12.942 7.169 3.780 1.00 0.28 H new ATOM 0 HA CYS A 32 14.226 9.694 2.823 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.441 7.474 1.483 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.907 8.322 1.476 1.00 0.28 H new ATOM 488 N GLY A 33 12.435 11.290 3.394 1.00 0.34 N ATOM 489 CA GLY A 33 11.411 12.271 3.859 1.00 0.36 C ATOM 490 C GLY A 33 10.218 12.350 2.887 1.00 0.35 C ATOM 491 O GLY A 33 9.101 12.119 3.291 1.00 0.33 O ATOM 0 H GLY A 33 13.310 11.707 3.076 1.00 0.34 H new ATOM 0 HA2 GLY A 33 11.056 11.985 4.849 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.868 13.256 3.956 1.00 0.36 H new ATOM 495 N PRO A 34 10.474 12.699 1.643 1.00 0.37 N ATOM 496 CA PRO A 34 9.399 12.835 0.634 1.00 0.38 C ATOM 497 C PRO A 34 8.452 11.627 0.664 1.00 0.35 C ATOM 498 O PRO A 34 7.258 11.763 0.479 1.00 0.36 O ATOM 499 CB PRO A 34 10.148 12.958 -0.715 1.00 0.42 C ATOM 500 CG PRO A 34 11.641 13.249 -0.377 1.00 0.44 C ATOM 501 CD PRO A 34 11.833 12.980 1.133 1.00 0.40 C ATOM 0 HA PRO A 34 8.759 13.698 0.818 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.055 12.039 -1.294 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.725 13.760 -1.320 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.300 12.612 -0.967 1.00 0.44 H new ATOM 0 HG3 PRO A 34 11.895 14.281 -0.619 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.501 12.136 1.302 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.274 13.841 1.635 1.00 0.40 H new ATOM 509 N ALA A 35 8.959 10.453 0.901 1.00 0.33 N ATOM 510 CA ALA A 35 8.064 9.263 0.945 1.00 0.32 C ATOM 511 C ALA A 35 7.331 9.251 2.293 1.00 0.39 C ATOM 512 O ALA A 35 6.120 9.199 2.359 1.00 0.81 O ATOM 513 CB ALA A 35 8.907 7.987 0.778 1.00 0.36 C ATOM 0 H ALA A 35 9.948 10.264 1.065 1.00 0.33 H new ATOM 0 HA ALA A 35 7.333 9.305 0.138 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.255 7.114 0.810 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.427 8.017 -0.179 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.637 7.925 1.585 1.00 0.36 H new ATOM 519 N LYS A 36 8.073 9.311 3.362 1.00 0.30 N ATOM 520 CA LYS A 36 7.460 9.318 4.721 1.00 0.28 C ATOM 521 C LYS A 36 6.532 10.526 4.865 1.00 0.24 C ATOM 522 O LYS A 36 5.627 10.538 5.676 1.00 0.25 O ATOM 523 CB LYS A 36 8.592 9.415 5.753 1.00 0.35 C ATOM 524 CG LYS A 36 8.079 9.059 7.148 1.00 0.38 C ATOM 525 CD LYS A 36 9.123 9.473 8.189 1.00 0.49 C ATOM 526 CE LYS A 36 8.675 9.021 9.582 1.00 1.22 C ATOM 527 NZ LYS A 36 7.493 9.821 10.009 1.00 1.92 N ATOM 0 H LYS A 36 9.092 9.356 3.353 1.00 0.30 H new ATOM 0 HA LYS A 36 6.879 8.409 4.876 1.00 0.28 H new ATOM 0 HB2 LYS A 36 9.403 8.742 5.475 1.00 0.35 H new ATOM 0 HB3 LYS A 36 9.002 10.425 5.757 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.134 9.566 7.341 1.00 0.38 H new ATOM 0 HG3 LYS A 36 7.886 7.988 7.215 1.00 0.38 H new ATOM 0 HD2 LYS A 36 10.088 9.029 7.946 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.257 10.555 8.173 1.00 0.49 H new ATOM 0 HE2 LYS A 36 8.424 7.960 9.568 1.00 1.22 H new ATOM 0 HE3 LYS A 36 9.489 9.146 10.296 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 7.026 9.350 10.810 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 7.803 10.771 10.299 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 6.824 9.902 9.217 1.00 1.92 H new ATOM 541 N MET A 37 6.766 11.542 4.091 1.00 0.23 N ATOM 542 CA MET A 37 5.926 12.767 4.175 1.00 0.24 C ATOM 543 C MET A 37 4.467 12.441 3.848 1.00 0.20 C ATOM 544 O MET A 37 3.567 13.159 4.239 1.00 0.20 O ATOM 545 CB MET A 37 6.462 13.805 3.179 1.00 0.29 C ATOM 546 CG MET A 37 5.743 15.149 3.363 1.00 1.31 C ATOM 547 SD MET A 37 6.223 15.892 4.942 1.00 2.12 S ATOM 548 CE MET A 37 5.323 17.450 4.739 1.00 3.13 C ATOM 0 H MET A 37 7.511 11.579 3.395 1.00 0.23 H new ATOM 0 HA MET A 37 5.970 13.165 5.189 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.534 13.937 3.324 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.320 13.447 2.159 1.00 0.29 H new ATOM 0 HG2 MET A 37 5.995 15.822 2.543 1.00 1.31 H new ATOM 0 HG3 MET A 37 4.663 15.001 3.334 1.00 1.31 H new ATOM 0 HE1 MET A 37 5.480 18.078 5.616 1.00 3.13 H new ATOM 0 HE2 MET A 37 5.687 17.968 3.852 1.00 3.13 H new ATOM 0 HE3 MET A 37 4.259 17.243 4.627 1.00 3.13 H new ATOM 558 N ILE A 38 4.221 11.383 3.111 1.00 0.18 N ATOM 559 CA ILE A 38 2.809 11.044 2.732 1.00 0.15 C ATOM 560 C ILE A 38 2.212 9.964 3.620 1.00 0.16 C ATOM 561 O ILE A 38 1.101 9.523 3.394 1.00 0.16 O ATOM 562 CB ILE A 38 2.760 10.561 1.289 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.482 11.588 0.398 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.284 10.380 0.844 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.557 11.079 -1.058 1.00 0.28 C ATOM 0 H ILE A 38 4.931 10.742 2.757 1.00 0.18 H new ATOM 0 HA ILE A 38 2.223 11.954 2.858 1.00 0.15 H new ATOM 0 HB ILE A 38 3.260 9.597 1.198 1.00 0.16 H new ATOM 0 HG12 ILE A 38 2.954 12.541 0.430 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.487 11.767 0.780 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.255 10.034 -0.189 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.798 9.645 1.486 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.761 11.333 0.922 1.00 0.17 H new ATOM 0 HD11 ILE A 38 4.070 11.816 -1.675 1.00 0.28 H new ATOM 0 HD12 ILE A 38 4.105 10.137 -1.086 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.549 10.924 -1.441 1.00 0.28 H new ATOM 577 N LYS A 39 2.894 9.536 4.639 1.00 0.19 N ATOM 578 CA LYS A 39 2.279 8.501 5.495 1.00 0.22 C ATOM 579 C LYS A 39 1.011 9.019 6.194 1.00 0.20 C ATOM 580 O LYS A 39 0.113 8.242 6.412 1.00 0.21 O ATOM 581 CB LYS A 39 3.284 7.928 6.535 1.00 0.31 C ATOM 582 CG LYS A 39 3.449 8.828 7.801 1.00 0.34 C ATOM 583 CD LYS A 39 3.975 8.017 8.989 1.00 0.45 C ATOM 584 CE LYS A 39 5.404 7.517 8.715 1.00 1.16 C ATOM 585 NZ LYS A 39 5.437 6.053 8.924 1.00 1.62 N ATOM 0 H LYS A 39 3.826 9.849 4.910 1.00 0.19 H new ATOM 0 HA LYS A 39 1.989 7.685 4.832 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.950 6.937 6.844 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.256 7.803 6.058 1.00 0.31 H new ATOM 0 HG2 LYS A 39 4.136 9.646 7.583 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.490 9.277 8.059 1.00 0.34 H new ATOM 0 HD2 LYS A 39 3.966 8.632 9.889 1.00 0.45 H new ATOM 0 HD3 LYS A 39 3.317 7.168 9.177 1.00 0.45 H new ATOM 0 HE2 LYS A 39 5.702 7.761 7.695 1.00 1.16 H new ATOM 0 HE3 LYS A 39 6.112 8.011 9.380 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 6.398 5.698 8.743 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 5.167 5.836 9.905 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 4.769 5.594 8.272 1.00 1.62 H new ATOM 599 N PRO A 40 0.948 10.290 6.590 1.00 0.20 N ATOM 600 CA PRO A 40 -0.229 10.753 7.338 1.00 0.21 C ATOM 601 C PRO A 40 -1.503 10.593 6.506 1.00 0.17 C ATOM 602 O PRO A 40 -2.598 10.702 7.017 1.00 0.20 O ATOM 603 CB PRO A 40 0.054 12.234 7.675 1.00 0.24 C ATOM 604 CG PRO A 40 1.469 12.579 7.130 1.00 0.25 C ATOM 605 CD PRO A 40 1.958 11.360 6.325 1.00 0.21 C ATOM 0 HA PRO A 40 -0.393 10.169 8.243 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.698 12.880 7.223 1.00 0.24 H new ATOM 0 HB3 PRO A 40 0.008 12.397 8.752 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.432 13.467 6.499 1.00 0.25 H new ATOM 0 HG3 PRO A 40 2.154 12.799 7.949 1.00 0.25 H new ATOM 0 HD2 PRO A 40 2.020 11.589 5.261 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.953 11.050 6.643 1.00 0.21 H new ATOM 613 N PHE A 41 -1.371 10.340 5.235 1.00 0.14 N ATOM 614 CA PHE A 41 -2.577 10.178 4.369 1.00 0.14 C ATOM 615 C PHE A 41 -2.853 8.693 4.161 1.00 0.11 C ATOM 616 O PHE A 41 -3.817 8.154 4.656 1.00 0.13 O ATOM 617 CB PHE A 41 -2.311 10.837 3.010 1.00 0.15 C ATOM 618 CG PHE A 41 -2.491 12.330 3.130 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.436 13.128 3.612 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.711 12.917 2.760 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.607 14.522 3.723 1.00 0.23 C ATOM 622 CE2 PHE A 41 -3.884 14.311 2.869 1.00 0.30 C ATOM 623 CZ PHE A 41 -2.832 15.115 3.352 1.00 0.27 C ATOM 0 H PHE A 41 -0.477 10.238 4.754 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.438 10.647 4.845 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.299 10.608 2.675 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -2.994 10.437 2.260 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.499 12.673 3.896 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.517 12.300 2.392 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -0.800 15.137 4.092 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -4.822 14.763 2.583 1.00 0.30 H new ATOM 0 HZ PHE A 41 -2.964 16.184 3.438 1.00 0.27 H new ATOM 633 N PHE A 42 -2.010 8.037 3.425 1.00 0.10 N ATOM 634 CA PHE A 42 -2.208 6.589 3.155 1.00 0.11 C ATOM 635 C PHE A 42 -2.553 5.843 4.450 1.00 0.11 C ATOM 636 O PHE A 42 -3.523 5.113 4.511 1.00 0.12 O ATOM 637 CB PHE A 42 -0.921 6.039 2.544 1.00 0.13 C ATOM 638 CG PHE A 42 -1.006 4.543 2.406 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.682 3.988 1.311 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.390 3.705 3.357 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.748 2.596 1.165 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.461 2.305 3.210 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.140 1.751 2.112 1.00 0.10 C ATOM 0 H PHE A 42 -1.181 8.445 2.993 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.038 6.448 2.463 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.752 6.492 1.567 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.070 6.305 3.171 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.151 4.632 0.581 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.136 4.135 4.197 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.269 2.169 0.321 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.005 1.660 3.940 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.195 0.679 1.995 1.00 0.10 H new ATOM 653 N HIS A 43 -1.780 6.013 5.487 1.00 0.14 N ATOM 654 CA HIS A 43 -2.087 5.304 6.766 1.00 0.16 C ATOM 655 C HIS A 43 -3.388 5.864 7.363 1.00 0.16 C ATOM 656 O HIS A 43 -4.158 5.148 7.971 1.00 0.18 O ATOM 657 CB HIS A 43 -0.909 5.488 7.753 1.00 0.21 C ATOM 658 CG HIS A 43 -1.381 5.364 9.176 1.00 0.27 C ATOM 659 ND1 HIS A 43 -2.002 6.260 10.011 1.00 0.35 N flip ATOM 660 CD2 HIS A 43 -1.258 4.189 9.900 1.00 0.31 C flip ATOM 661 CE1 HIS A 43 -2.265 5.651 11.235 1.00 0.41 C flip ATOM 662 NE2 HIS A 43 -1.796 4.405 11.114 1.00 0.39 N flip ATOM 0 H HIS A 43 -0.952 6.609 5.507 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.221 4.239 6.577 1.00 0.16 H new ATOM 0 HB2 HIS A 43 -0.141 4.741 7.553 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.450 6.465 7.601 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -0.812 3.269 9.553 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -2.745 6.091 12.097 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -1.841 3.703 11.853 1.00 0.39 H new ATOM 670 N SER A 44 -3.632 7.136 7.210 1.00 0.20 N ATOM 671 CA SER A 44 -4.873 7.725 7.786 1.00 0.25 C ATOM 672 C SER A 44 -6.102 7.051 7.175 1.00 0.20 C ATOM 673 O SER A 44 -7.076 6.788 7.853 1.00 0.21 O ATOM 674 CB SER A 44 -4.916 9.223 7.487 1.00 0.34 C ATOM 675 OG SER A 44 -6.267 9.663 7.481 1.00 0.97 O ATOM 0 H SER A 44 -3.028 7.791 6.713 1.00 0.20 H new ATOM 0 HA SER A 44 -4.874 7.567 8.864 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.346 9.772 8.237 1.00 0.34 H new ATOM 0 HB3 SER A 44 -4.451 9.426 6.522 1.00 0.34 H new ATOM 0 HG SER A 44 -6.297 10.624 7.291 1.00 0.97 H new ATOM 681 N LEU A 45 -6.070 6.771 5.902 1.00 0.18 N ATOM 682 CA LEU A 45 -7.245 6.116 5.260 1.00 0.18 C ATOM 683 C LEU A 45 -7.631 4.871 6.061 1.00 0.16 C ATOM 684 O LEU A 45 -8.716 4.344 5.920 1.00 0.23 O ATOM 685 CB LEU A 45 -6.894 5.712 3.821 1.00 0.19 C ATOM 686 CG LEU A 45 -6.467 6.943 3.003 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.125 6.505 1.576 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.606 7.978 2.969 1.00 0.50 C ATOM 0 H LEU A 45 -5.285 6.966 5.280 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.082 6.814 5.241 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.089 4.977 3.830 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.755 5.236 3.351 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.593 7.399 3.468 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -5.822 7.374 0.992 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.309 5.783 1.603 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.001 6.046 1.116 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.293 8.845 2.387 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.489 7.533 2.510 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.844 8.290 3.986 1.00 0.50 H new ATOM 700 N SER A 46 -6.754 4.399 6.901 1.00 0.20 N ATOM 701 CA SER A 46 -7.072 3.189 7.713 1.00 0.25 C ATOM 702 C SER A 46 -8.329 3.443 8.549 1.00 0.17 C ATOM 703 O SER A 46 -9.115 2.548 8.792 1.00 0.15 O ATOM 704 CB SER A 46 -5.902 2.880 8.646 1.00 0.36 C ATOM 705 OG SER A 46 -4.756 2.556 7.871 1.00 0.51 O ATOM 0 H SER A 46 -5.829 4.798 7.062 1.00 0.20 H new ATOM 0 HA SER A 46 -7.244 2.344 7.046 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.693 3.739 9.283 1.00 0.36 H new ATOM 0 HB3 SER A 46 -6.157 2.049 9.304 1.00 0.36 H new ATOM 0 HG SER A 46 -4.239 3.370 7.695 1.00 0.51 H new ATOM 711 N GLU A 47 -8.520 4.653 9.007 1.00 0.21 N ATOM 712 CA GLU A 47 -9.718 4.962 9.845 1.00 0.21 C ATOM 713 C GLU A 47 -10.848 5.519 8.976 1.00 0.18 C ATOM 714 O GLU A 47 -11.998 5.513 9.368 1.00 0.18 O ATOM 715 CB GLU A 47 -9.339 6.001 10.908 1.00 0.32 C ATOM 716 CG GLU A 47 -7.961 5.666 11.481 1.00 0.39 C ATOM 717 CD GLU A 47 -7.668 6.579 12.673 1.00 1.24 C ATOM 718 OE1 GLU A 47 -7.412 7.751 12.448 1.00 1.98 O ATOM 719 OE2 GLU A 47 -7.708 6.092 13.791 1.00 2.00 O ATOM 0 H GLU A 47 -7.897 5.442 8.837 1.00 0.21 H new ATOM 0 HA GLU A 47 -10.059 4.044 10.324 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.329 6.999 10.469 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -10.083 6.010 11.704 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.929 4.622 11.793 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.196 5.794 10.715 1.00 0.39 H new ATOM 726 N LYS A 48 -10.541 6.005 7.804 1.00 0.18 N ATOM 727 CA LYS A 48 -11.616 6.561 6.929 1.00 0.17 C ATOM 728 C LYS A 48 -12.166 5.447 6.038 1.00 0.15 C ATOM 729 O LYS A 48 -13.267 5.532 5.531 1.00 0.18 O ATOM 730 CB LYS A 48 -11.034 7.685 6.058 1.00 0.21 C ATOM 731 CG LYS A 48 -12.171 8.495 5.394 1.00 0.26 C ATOM 732 CD LYS A 48 -11.683 9.907 5.037 1.00 1.09 C ATOM 733 CE LYS A 48 -10.672 9.836 3.891 1.00 1.51 C ATOM 734 NZ LYS A 48 -10.194 11.211 3.572 1.00 2.16 N ATOM 0 H LYS A 48 -9.599 6.042 7.415 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.421 6.964 7.543 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.417 8.345 6.668 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.385 7.261 5.292 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.514 7.983 4.495 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -13.024 8.558 6.070 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -12.529 10.531 4.749 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -11.225 10.374 5.909 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -9.831 9.202 4.171 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -11.132 9.385 3.012 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -9.506 11.167 2.793 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -11.001 11.802 3.288 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -9.740 11.624 4.412 1.00 2.16 H new ATOM 748 N TYR A 49 -11.407 4.396 5.855 1.00 0.13 N ATOM 749 CA TYR A 49 -11.872 3.252 5.009 1.00 0.13 C ATOM 750 C TYR A 49 -11.562 1.942 5.733 1.00 0.11 C ATOM 751 O TYR A 49 -10.732 1.164 5.306 1.00 0.11 O ATOM 752 CB TYR A 49 -11.145 3.284 3.657 1.00 0.15 C ATOM 753 CG TYR A 49 -11.804 4.298 2.752 1.00 0.16 C ATOM 754 CD1 TYR A 49 -13.026 3.986 2.130 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.200 5.550 2.534 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.647 4.925 1.287 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.822 6.493 1.692 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.046 6.179 1.067 1.00 0.21 C ATOM 759 OH TYR A 49 -13.658 7.103 0.241 1.00 0.24 O ATOM 0 H TYR A 49 -10.477 4.280 6.258 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.945 3.330 4.837 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.095 3.539 3.803 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.172 2.297 3.195 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.488 3.025 2.300 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.261 5.788 3.011 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.585 4.684 0.808 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.361 7.456 1.526 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.112 7.916 0.198 1.00 0.24 H new ATOM 769 N SER A 50 -12.227 1.692 6.826 1.00 0.12 N ATOM 770 CA SER A 50 -11.977 0.432 7.576 1.00 0.13 C ATOM 771 C SER A 50 -12.441 -0.754 6.726 1.00 0.13 C ATOM 772 O SER A 50 -12.291 -1.898 7.102 1.00 0.14 O ATOM 773 CB SER A 50 -12.755 0.463 8.893 1.00 0.16 C ATOM 774 OG SER A 50 -14.113 0.790 8.629 1.00 0.17 O ATOM 0 H SER A 50 -12.933 2.306 7.232 1.00 0.12 H new ATOM 0 HA SER A 50 -10.913 0.331 7.792 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.692 -0.506 9.389 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.317 1.197 9.570 1.00 0.16 H new ATOM 0 HG SER A 50 -14.615 0.809 9.471 1.00 0.17 H new ATOM 780 N ASN A 51 -13.006 -0.479 5.578 1.00 0.13 N ATOM 781 CA ASN A 51 -13.487 -1.573 4.685 1.00 0.15 C ATOM 782 C ASN A 51 -12.407 -1.891 3.647 1.00 0.13 C ATOM 783 O ASN A 51 -12.570 -2.765 2.818 1.00 0.14 O ATOM 784 CB ASN A 51 -14.755 -1.108 3.965 1.00 0.17 C ATOM 785 CG ASN A 51 -15.255 -2.210 3.028 1.00 0.20 C ATOM 786 OD1 ASN A 51 -14.730 -2.324 1.839 1.00 0.34 O flip ATOM 787 ND2 ASN A 51 -16.133 -2.971 3.380 1.00 0.32 N flip ATOM 0 H ASN A 51 -13.155 0.464 5.220 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.701 -2.464 5.275 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.527 -0.860 4.693 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.549 -0.201 3.397 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -16.543 -2.881 4.310 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -16.461 -3.700 2.746 1.00 0.32 H new ATOM 794 N VAL A 52 -11.304 -1.183 3.690 1.00 0.11 N ATOM 795 CA VAL A 52 -10.194 -1.423 2.712 1.00 0.10 C ATOM 796 C VAL A 52 -8.950 -1.899 3.460 1.00 0.10 C ATOM 797 O VAL A 52 -8.754 -1.594 4.620 1.00 0.11 O ATOM 798 CB VAL A 52 -9.873 -0.119 1.985 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.651 -0.318 1.084 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.082 0.290 1.140 1.00 0.12 C ATOM 0 H VAL A 52 -11.123 -0.442 4.367 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.501 -2.182 1.992 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.652 0.664 2.711 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.425 0.614 0.567 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.795 -0.613 1.691 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.862 -1.097 0.352 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.862 1.221 0.617 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.299 -0.492 0.413 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.947 0.434 1.788 1.00 0.12 H new ATOM 810 N ILE A 53 -8.107 -2.649 2.799 1.00 0.09 N ATOM 811 CA ILE A 53 -6.861 -3.161 3.453 1.00 0.09 C ATOM 812 C ILE A 53 -5.667 -2.324 2.971 1.00 0.09 C ATOM 813 O ILE A 53 -5.500 -2.091 1.793 1.00 0.14 O ATOM 814 CB ILE A 53 -6.652 -4.623 3.047 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.986 -5.400 3.151 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.563 -5.269 3.923 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.677 -5.197 4.513 1.00 0.17 C ATOM 0 H ILE A 53 -8.228 -2.932 1.826 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.948 -3.089 4.537 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.317 -4.661 2.010 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.656 -5.076 2.355 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.798 -6.462 2.996 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.424 -6.308 3.624 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.626 -4.727 3.797 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.867 -5.230 4.969 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.609 -5.762 4.536 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.020 -5.546 5.310 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.892 -4.138 4.658 1.00 0.17 H new ATOM 829 N PHE A 54 -4.840 -1.872 3.880 1.00 0.08 N ATOM 830 CA PHE A 54 -3.645 -1.045 3.500 1.00 0.08 C ATOM 831 C PHE A 54 -2.373 -1.772 3.926 1.00 0.08 C ATOM 832 O PHE A 54 -2.277 -2.272 5.029 1.00 0.11 O ATOM 833 CB PHE A 54 -3.715 0.298 4.220 1.00 0.08 C ATOM 834 CG PHE A 54 -4.939 1.044 3.753 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.978 1.569 2.450 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.038 1.211 4.615 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.118 2.265 2.006 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.179 1.907 4.173 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.219 2.435 2.868 1.00 0.09 C ATOM 0 H PHE A 54 -4.940 -2.041 4.881 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.637 -0.888 2.421 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.756 0.145 5.298 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.818 0.882 4.015 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.134 1.438 1.790 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -6.006 0.805 5.615 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.149 2.669 1.005 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -8.023 2.036 4.834 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.093 2.970 2.528 1.00 0.09 H new ATOM 849 N LEU A 55 -1.399 -1.843 3.054 1.00 0.08 N ATOM 850 CA LEU A 55 -0.117 -2.545 3.382 1.00 0.09 C ATOM 851 C LEU A 55 1.026 -1.523 3.389 1.00 0.09 C ATOM 852 O LEU A 55 0.861 -0.384 3.000 1.00 0.10 O ATOM 853 CB LEU A 55 0.165 -3.617 2.311 1.00 0.10 C ATOM 854 CG LEU A 55 -0.642 -4.899 2.589 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.140 -4.579 2.739 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.429 -5.874 1.423 1.00 0.12 C ATOM 0 H LEU A 55 -1.437 -1.440 2.118 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.195 -3.018 4.361 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.091 -3.228 1.325 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.230 -3.849 2.295 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.298 -5.347 3.521 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.691 -5.499 2.935 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.283 -3.887 3.569 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.509 -4.124 1.820 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -0.995 -6.788 1.605 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.772 -5.414 0.496 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.631 -6.114 1.338 1.00 0.12 H new ATOM 868 N GLU A 56 2.189 -1.933 3.819 1.00 0.09 N ATOM 869 CA GLU A 56 3.363 -1.009 3.851 1.00 0.09 C ATOM 870 C GLU A 56 4.606 -1.818 3.481 1.00 0.09 C ATOM 871 O GLU A 56 4.723 -2.975 3.831 1.00 0.10 O ATOM 872 CB GLU A 56 3.519 -0.421 5.257 1.00 0.09 C ATOM 873 CG GLU A 56 4.480 0.770 5.210 1.00 0.11 C ATOM 874 CD GLU A 56 4.553 1.427 6.591 1.00 0.53 C ATOM 875 OE1 GLU A 56 3.924 0.916 7.502 1.00 1.24 O ATOM 876 OE2 GLU A 56 5.237 2.431 6.713 1.00 1.31 O ATOM 0 H GLU A 56 2.379 -2.878 4.153 1.00 0.09 H new ATOM 0 HA GLU A 56 3.224 -0.188 3.148 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.549 -0.104 5.640 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.898 -1.181 5.940 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.471 0.438 4.901 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.141 1.494 4.469 1.00 0.11 H new ATOM 883 N VAL A 57 5.524 -1.236 2.750 1.00 0.08 N ATOM 884 CA VAL A 57 6.741 -1.997 2.333 1.00 0.08 C ATOM 885 C VAL A 57 7.978 -1.096 2.346 1.00 0.09 C ATOM 886 O VAL A 57 7.948 0.032 1.892 1.00 0.14 O ATOM 887 CB VAL A 57 6.515 -2.525 0.914 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.691 -3.405 0.501 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.230 -3.349 0.873 1.00 0.09 C ATOM 0 H VAL A 57 5.483 -0.270 2.425 1.00 0.08 H new ATOM 0 HA VAL A 57 6.908 -2.818 3.030 1.00 0.08 H new ATOM 0 HB VAL A 57 6.431 -1.683 0.227 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.528 -3.780 -0.509 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.610 -2.820 0.527 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.776 -4.245 1.190 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.070 -3.724 -0.138 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.314 -4.189 1.563 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.387 -2.723 1.165 1.00 0.09 H new ATOM 899 N ASP A 58 9.078 -1.604 2.850 1.00 0.09 N ATOM 900 CA ASP A 58 10.344 -0.810 2.882 1.00 0.09 C ATOM 901 C ASP A 58 11.181 -1.211 1.666 1.00 0.10 C ATOM 902 O ASP A 58 11.671 -2.320 1.574 1.00 0.11 O ATOM 903 CB ASP A 58 11.113 -1.116 4.177 1.00 0.11 C ATOM 904 CG ASP A 58 12.111 0.008 4.468 1.00 0.13 C ATOM 905 OD1 ASP A 58 13.227 -0.076 3.985 1.00 1.08 O ATOM 906 OD2 ASP A 58 11.741 0.933 5.171 1.00 1.06 O ATOM 0 H ASP A 58 9.151 -2.542 3.243 1.00 0.09 H new ATOM 0 HA ASP A 58 10.128 0.258 2.854 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.416 -1.219 5.008 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.639 -2.066 4.082 1.00 0.11 H new ATOM 911 N VAL A 59 11.323 -0.330 0.717 1.00 0.12 N ATOM 912 CA VAL A 59 12.097 -0.670 -0.514 1.00 0.15 C ATOM 913 C VAL A 59 13.583 -0.851 -0.200 1.00 0.18 C ATOM 914 O VAL A 59 14.343 -1.295 -1.038 1.00 0.27 O ATOM 915 CB VAL A 59 11.933 0.456 -1.536 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.485 0.493 -2.020 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.284 1.797 -0.886 1.00 0.22 C ATOM 0 H VAL A 59 10.937 0.614 0.738 1.00 0.12 H new ATOM 0 HA VAL A 59 11.713 -1.608 -0.915 1.00 0.15 H new ATOM 0 HB VAL A 59 12.599 0.278 -2.380 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.365 1.295 -2.749 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.232 -0.460 -2.484 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.823 0.671 -1.173 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.166 2.597 -1.617 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.620 1.977 -0.041 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.316 1.773 -0.537 1.00 0.22 H new ATOM 927 N ASP A 60 14.014 -0.499 0.985 1.00 0.16 N ATOM 928 CA ASP A 60 15.467 -0.634 1.334 1.00 0.18 C ATOM 929 C ASP A 60 15.704 -1.851 2.236 1.00 0.17 C ATOM 930 O ASP A 60 16.679 -2.559 2.087 1.00 0.18 O ATOM 931 CB ASP A 60 15.922 0.626 2.068 1.00 0.21 C ATOM 932 CG ASP A 60 15.334 1.855 1.379 1.00 0.24 C ATOM 933 OD1 ASP A 60 15.555 1.999 0.193 1.00 1.11 O ATOM 934 OD2 ASP A 60 14.674 2.629 2.049 1.00 1.08 O ATOM 0 H ASP A 60 13.425 -0.124 1.728 1.00 0.16 H new ATOM 0 HA ASP A 60 16.035 -0.767 0.413 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.600 0.590 3.109 1.00 0.21 H new ATOM 0 HB3 ASP A 60 17.010 0.684 2.073 1.00 0.21 H new ATOM 939 N ASP A 61 14.838 -2.089 3.180 1.00 0.17 N ATOM 940 CA ASP A 61 15.030 -3.250 4.105 1.00 0.17 C ATOM 941 C ASP A 61 14.270 -4.470 3.568 1.00 0.16 C ATOM 942 O ASP A 61 14.483 -5.582 4.007 1.00 0.18 O ATOM 943 CB ASP A 61 14.521 -2.857 5.500 1.00 0.19 C ATOM 944 CG ASP A 61 14.321 -4.103 6.368 1.00 0.22 C ATOM 945 OD1 ASP A 61 15.138 -5.005 6.273 1.00 1.07 O ATOM 946 OD2 ASP A 61 13.358 -4.132 7.115 1.00 1.12 O ATOM 0 H ASP A 61 14.002 -1.531 3.355 1.00 0.17 H new ATOM 0 HA ASP A 61 16.086 -3.511 4.171 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.233 -2.184 5.977 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.580 -2.314 5.411 1.00 0.19 H new ATOM 951 N ALA A 62 13.396 -4.269 2.610 1.00 0.16 N ATOM 952 CA ALA A 62 12.623 -5.410 2.016 1.00 0.16 C ATOM 953 C ALA A 62 12.838 -5.399 0.500 1.00 0.16 C ATOM 954 O ALA A 62 11.905 -5.457 -0.277 1.00 0.15 O ATOM 955 CB ALA A 62 11.132 -5.244 2.341 1.00 0.17 C ATOM 0 H ALA A 62 13.182 -3.355 2.210 1.00 0.16 H new ATOM 0 HA ALA A 62 12.965 -6.358 2.430 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.571 -6.073 1.909 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.994 -5.236 3.422 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.771 -4.305 1.923 1.00 0.17 H new ATOM 961 N GLN A 63 14.072 -5.310 0.082 1.00 0.20 N ATOM 962 CA GLN A 63 14.382 -5.277 -1.375 1.00 0.22 C ATOM 963 C GLN A 63 13.794 -6.507 -2.076 1.00 0.20 C ATOM 964 O GLN A 63 13.728 -6.561 -3.288 1.00 0.20 O ATOM 965 CB GLN A 63 15.900 -5.258 -1.567 1.00 0.29 C ATOM 966 CG GLN A 63 16.490 -4.045 -0.845 1.00 0.90 C ATOM 967 CD GLN A 63 17.988 -3.950 -1.141 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.486 -4.607 -2.033 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.733 -3.154 -0.423 1.00 2.22 N ATOM 0 H GLN A 63 14.886 -5.258 0.695 1.00 0.20 H new ATOM 0 HA GLN A 63 13.940 -4.381 -1.811 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.338 -6.176 -1.176 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.143 -5.216 -2.629 1.00 0.29 H new ATOM 0 HG2 GLN A 63 15.986 -3.135 -1.171 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.326 -4.133 0.229 1.00 0.90 H new ATOM 0 HE21 GLN A 63 18.315 -2.602 0.326 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.733 -3.084 -0.611 1.00 2.22 H new ATOM 978 N ASP A 64 13.370 -7.495 -1.337 1.00 0.19 N ATOM 979 CA ASP A 64 12.798 -8.706 -1.988 1.00 0.20 C ATOM 980 C ASP A 64 11.447 -8.359 -2.612 1.00 0.17 C ATOM 981 O ASP A 64 11.123 -8.800 -3.697 1.00 0.19 O ATOM 982 CB ASP A 64 12.610 -9.817 -0.949 1.00 0.22 C ATOM 983 CG ASP A 64 12.003 -9.240 0.332 1.00 0.23 C ATOM 984 OD1 ASP A 64 11.773 -8.042 0.373 1.00 1.11 O ATOM 985 OD2 ASP A 64 11.778 -10.008 1.253 1.00 1.09 O ATOM 0 H ASP A 64 13.395 -7.516 -0.318 1.00 0.19 H new ATOM 0 HA ASP A 64 13.481 -9.052 -2.763 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.961 -10.595 -1.350 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.569 -10.285 -0.728 1.00 0.22 H new ATOM 990 N VAL A 65 10.657 -7.572 -1.941 1.00 0.15 N ATOM 991 CA VAL A 65 9.334 -7.199 -2.506 1.00 0.16 C ATOM 992 C VAL A 65 9.547 -6.200 -3.648 1.00 0.16 C ATOM 993 O VAL A 65 9.001 -6.342 -4.724 1.00 0.19 O ATOM 994 CB VAL A 65 8.478 -6.558 -1.409 1.00 0.16 C ATOM 995 CG1 VAL A 65 7.002 -6.594 -1.815 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.668 -7.327 -0.096 1.00 0.18 C ATOM 0 H VAL A 65 10.870 -7.172 -1.027 1.00 0.15 H new ATOM 0 HA VAL A 65 8.825 -8.085 -2.885 1.00 0.16 H new ATOM 0 HB VAL A 65 8.787 -5.522 -1.272 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.398 -6.137 -1.031 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.867 -6.042 -2.745 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.689 -7.628 -1.958 1.00 0.19 H new ATOM 0 HG21 VAL A 65 8.059 -6.871 0.684 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.363 -8.364 -0.234 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.717 -7.293 0.197 1.00 0.18 H new ATOM 1006 N ALA A 66 10.346 -5.192 -3.418 1.00 0.16 N ATOM 1007 CA ALA A 66 10.610 -4.186 -4.483 1.00 0.18 C ATOM 1008 C ALA A 66 11.308 -4.869 -5.661 1.00 0.19 C ATOM 1009 O ALA A 66 11.127 -4.501 -6.804 1.00 0.20 O ATOM 1010 CB ALA A 66 11.510 -3.081 -3.922 1.00 0.22 C ATOM 0 H ALA A 66 10.828 -5.023 -2.535 1.00 0.16 H new ATOM 0 HA ALA A 66 9.670 -3.751 -4.821 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.706 -2.342 -4.699 1.00 0.22 H new ATOM 0 HB2 ALA A 66 11.013 -2.599 -3.080 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.453 -3.514 -3.587 1.00 0.22 H new ATOM 1016 N SER A 67 12.107 -5.864 -5.388 1.00 0.21 N ATOM 1017 CA SER A 67 12.819 -6.575 -6.486 1.00 0.26 C ATOM 1018 C SER A 67 11.794 -7.254 -7.401 1.00 0.26 C ATOM 1019 O SER A 67 11.768 -7.027 -8.594 1.00 0.29 O ATOM 1020 CB SER A 67 13.751 -7.630 -5.889 1.00 0.31 C ATOM 1021 OG SER A 67 14.899 -6.989 -5.346 1.00 1.29 O ATOM 0 H SER A 67 12.297 -6.216 -4.450 1.00 0.21 H new ATOM 0 HA SER A 67 13.405 -5.860 -7.064 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.233 -8.192 -5.112 1.00 0.31 H new ATOM 0 HB3 SER A 67 14.048 -8.345 -6.656 1.00 0.31 H new ATOM 0 HG SER A 67 14.794 -6.896 -4.376 1.00 1.29 H new ATOM 1027 N GLU A 68 10.952 -8.083 -6.849 1.00 0.26 N ATOM 1028 CA GLU A 68 9.928 -8.774 -7.683 1.00 0.30 C ATOM 1029 C GLU A 68 8.975 -7.737 -8.288 1.00 0.31 C ATOM 1030 O GLU A 68 8.427 -7.934 -9.354 1.00 0.36 O ATOM 1031 CB GLU A 68 9.138 -9.749 -6.808 1.00 0.31 C ATOM 1032 CG GLU A 68 8.342 -10.711 -7.693 1.00 0.39 C ATOM 1033 CD GLU A 68 9.289 -11.734 -8.322 1.00 1.43 C ATOM 1034 OE1 GLU A 68 10.057 -12.334 -7.587 1.00 2.19 O ATOM 1035 OE2 GLU A 68 9.230 -11.902 -9.529 1.00 2.20 O ATOM 0 H GLU A 68 10.929 -8.312 -5.855 1.00 0.26 H new ATOM 0 HA GLU A 68 10.420 -9.322 -8.486 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.818 -10.309 -6.166 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.462 -9.199 -6.153 1.00 0.31 H new ATOM 0 HG2 GLU A 68 7.582 -11.220 -7.101 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.820 -10.156 -8.473 1.00 0.39 H new ATOM 1042 N ALA A 69 8.771 -6.635 -7.613 1.00 0.29 N ATOM 1043 CA ALA A 69 7.850 -5.585 -8.145 1.00 0.31 C ATOM 1044 C ALA A 69 8.632 -4.603 -9.027 1.00 0.29 C ATOM 1045 O ALA A 69 8.064 -3.743 -9.672 1.00 0.33 O ATOM 1046 CB ALA A 69 7.217 -4.829 -6.975 1.00 0.31 C ATOM 0 H ALA A 69 9.203 -6.416 -6.715 1.00 0.29 H new ATOM 0 HA ALA A 69 7.070 -6.058 -8.742 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.544 -4.062 -7.359 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.655 -5.526 -6.353 1.00 0.31 H new ATOM 0 HB3 ALA A 69 8.000 -4.360 -6.379 1.00 0.31 H new ATOM 1052 N GLU A 70 9.929 -4.731 -9.068 1.00 0.27 N ATOM 1053 CA GLU A 70 10.751 -3.818 -9.916 1.00 0.29 C ATOM 1054 C GLU A 70 10.357 -2.353 -9.671 1.00 0.25 C ATOM 1055 O GLU A 70 10.073 -1.619 -10.595 1.00 0.26 O ATOM 1056 CB GLU A 70 10.531 -4.164 -11.391 1.00 0.38 C ATOM 1057 CG GLU A 70 10.979 -5.603 -11.652 1.00 1.18 C ATOM 1058 CD GLU A 70 10.528 -6.036 -13.049 1.00 1.61 C ATOM 1059 OE1 GLU A 70 9.603 -5.430 -13.564 1.00 2.34 O ATOM 1060 OE2 GLU A 70 11.116 -6.964 -13.579 1.00 2.06 O ATOM 0 H GLU A 70 10.459 -5.431 -8.549 1.00 0.27 H new ATOM 0 HA GLU A 70 11.802 -3.946 -9.655 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.479 -4.047 -11.649 1.00 0.38 H new ATOM 0 HB3 GLU A 70 11.093 -3.477 -12.024 1.00 0.38 H new ATOM 0 HG2 GLU A 70 12.063 -5.678 -11.570 1.00 1.18 H new ATOM 0 HG3 GLU A 70 10.556 -6.268 -10.900 1.00 1.18 H new ATOM 1067 N VAL A 71 10.354 -1.918 -8.438 1.00 0.22 N ATOM 1068 CA VAL A 71 10.000 -0.495 -8.146 1.00 0.19 C ATOM 1069 C VAL A 71 11.213 0.392 -8.438 1.00 0.23 C ATOM 1070 O VAL A 71 12.329 0.052 -8.101 1.00 0.28 O ATOM 1071 CB VAL A 71 9.609 -0.354 -6.677 1.00 0.18 C ATOM 1072 CG1 VAL A 71 9.194 1.091 -6.408 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.433 -1.284 -6.375 1.00 0.19 C ATOM 0 H VAL A 71 10.581 -2.485 -7.621 1.00 0.22 H new ATOM 0 HA VAL A 71 9.161 -0.191 -8.772 1.00 0.19 H new ATOM 0 HB VAL A 71 10.455 -0.619 -6.042 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.913 1.200 -5.360 1.00 0.19 H new ATOM 0 HG12 VAL A 71 10.028 1.757 -6.631 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.344 1.349 -7.040 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.151 -1.186 -5.327 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.585 -1.015 -7.005 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.723 -2.315 -6.578 1.00 0.19 H new ATOM 1083 N LYS A 72 11.003 1.525 -9.068 1.00 0.24 N ATOM 1084 CA LYS A 72 12.144 2.444 -9.395 1.00 0.29 C ATOM 1085 C LYS A 72 11.810 3.867 -8.932 1.00 0.26 C ATOM 1086 O LYS A 72 12.569 4.791 -9.144 1.00 0.27 O ATOM 1087 CB LYS A 72 12.370 2.441 -10.910 1.00 0.35 C ATOM 1088 CG LYS A 72 12.656 1.012 -11.379 1.00 0.43 C ATOM 1089 CD LYS A 72 12.948 1.012 -12.881 1.00 1.16 C ATOM 1090 CE LYS A 72 13.190 -0.422 -13.356 1.00 1.66 C ATOM 1091 NZ LYS A 72 11.906 -1.178 -13.332 1.00 2.40 N ATOM 0 H LYS A 72 10.087 1.855 -9.371 1.00 0.24 H new ATOM 0 HA LYS A 72 13.045 2.103 -8.886 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.491 2.834 -11.421 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.205 3.093 -11.165 1.00 0.35 H new ATOM 0 HG2 LYS A 72 13.506 0.603 -10.833 1.00 0.43 H new ATOM 0 HG3 LYS A 72 11.801 0.370 -11.165 1.00 0.43 H new ATOM 0 HD2 LYS A 72 12.111 1.450 -13.425 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.822 1.628 -13.092 1.00 1.16 H new ATOM 0 HE2 LYS A 72 13.602 -0.417 -14.365 1.00 1.66 H new ATOM 0 HE3 LYS A 72 13.923 -0.910 -12.714 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 12.009 -2.054 -13.883 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 11.660 -1.414 -12.349 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 11.152 -0.595 -13.747 1.00 2.40 H new ATOM 1105 N ALA A 73 10.683 4.054 -8.299 1.00 0.22 N ATOM 1106 CA ALA A 73 10.307 5.424 -7.820 1.00 0.20 C ATOM 1107 C ALA A 73 9.401 5.288 -6.600 1.00 0.18 C ATOM 1108 O ALA A 73 8.493 4.489 -6.597 1.00 0.16 O ATOM 1109 CB ALA A 73 9.566 6.175 -8.947 1.00 0.21 C ATOM 0 H ALA A 73 10.005 3.321 -8.091 1.00 0.22 H new ATOM 0 HA ALA A 73 11.201 5.985 -7.549 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.292 7.172 -8.601 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.217 6.260 -9.817 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.665 5.625 -9.220 1.00 0.21 H new ATOM 1115 N THR A 74 9.634 6.066 -5.564 1.00 0.18 N ATOM 1116 CA THR A 74 8.768 5.978 -4.340 1.00 0.17 C ATOM 1117 C THR A 74 8.103 7.347 -4.088 1.00 0.17 C ATOM 1118 O THR A 74 8.692 8.364 -4.398 1.00 0.19 O ATOM 1119 CB THR A 74 9.628 5.621 -3.112 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.762 6.469 -3.078 1.00 0.22 O ATOM 1121 CG2 THR A 74 10.102 4.152 -3.163 1.00 0.19 C ATOM 0 H THR A 74 10.384 6.756 -5.514 1.00 0.18 H new ATOM 0 HA THR A 74 8.011 5.209 -4.496 1.00 0.17 H new ATOM 0 HB THR A 74 9.019 5.755 -2.218 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.312 6.248 -2.298 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.706 3.934 -2.282 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.236 3.491 -3.182 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.699 3.993 -4.061 1.00 0.19 H new ATOM 1129 N PRO A 75 6.912 7.360 -3.502 1.00 0.17 N ATOM 1130 CA PRO A 75 6.153 6.148 -3.104 1.00 0.16 C ATOM 1131 C PRO A 75 5.518 5.497 -4.345 1.00 0.14 C ATOM 1132 O PRO A 75 5.152 6.173 -5.287 1.00 0.14 O ATOM 1133 CB PRO A 75 5.049 6.677 -2.158 1.00 0.17 C ATOM 1134 CG PRO A 75 5.048 8.229 -2.275 1.00 0.20 C ATOM 1135 CD PRO A 75 6.249 8.629 -3.164 1.00 0.19 C ATOM 0 HA PRO A 75 6.783 5.395 -2.630 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.077 6.270 -2.435 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.242 6.369 -1.131 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.113 8.580 -2.713 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.131 8.688 -1.290 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.919 9.153 -4.061 1.00 0.19 H new ATOM 0 HD3 PRO A 75 6.926 9.299 -2.634 1.00 0.19 H new ATOM 1143 N THR A 76 5.366 4.192 -4.336 1.00 0.13 N ATOM 1144 CA THR A 76 4.725 3.488 -5.495 1.00 0.12 C ATOM 1145 C THR A 76 3.453 2.841 -4.978 1.00 0.12 C ATOM 1146 O THR A 76 3.495 1.899 -4.211 1.00 0.18 O ATOM 1147 CB THR A 76 5.652 2.387 -6.060 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.992 2.836 -6.024 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.262 2.068 -7.504 1.00 0.13 C ATOM 0 H THR A 76 5.660 3.582 -3.573 1.00 0.13 H new ATOM 0 HA THR A 76 4.523 4.202 -6.293 1.00 0.12 H new ATOM 0 HB THR A 76 5.550 1.487 -5.454 1.00 0.12 H new ATOM 0 HG1 THR A 76 7.050 3.725 -6.432 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.919 1.292 -7.895 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.230 1.718 -7.533 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.358 2.966 -8.114 1.00 0.13 H new ATOM 1157 N PHE A 77 2.320 3.327 -5.383 1.00 0.09 N ATOM 1158 CA PHE A 77 1.057 2.714 -4.899 1.00 0.09 C ATOM 1159 C PHE A 77 0.695 1.564 -5.821 1.00 0.09 C ATOM 1160 O PHE A 77 0.591 1.722 -7.019 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.071 3.740 -4.895 1.00 0.10 C ATOM 1162 CG PHE A 77 0.197 4.754 -3.818 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.120 4.448 -2.482 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.761 6.001 -4.145 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.129 5.392 -1.469 1.00 0.09 C ATOM 1166 CE2 PHE A 77 1.010 6.948 -3.134 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.696 6.646 -1.796 1.00 0.12 C ATOM 0 H PHE A 77 2.212 4.115 -6.022 1.00 0.09 H new ATOM 0 HA PHE A 77 1.197 2.355 -3.879 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.138 4.230 -5.866 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.028 3.248 -4.720 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.554 3.490 -2.234 1.00 0.09 H new ATOM 0 HD2 PHE A 77 1.003 6.231 -5.172 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.113 5.159 -0.442 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.442 7.906 -3.385 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.888 7.371 -1.019 1.00 0.12 H new ATOM 1177 N GLN A 78 0.505 0.404 -5.259 1.00 0.07 N ATOM 1178 CA GLN A 78 0.143 -0.794 -6.065 1.00 0.07 C ATOM 1179 C GLN A 78 -1.183 -1.321 -5.534 1.00 0.06 C ATOM 1180 O GLN A 78 -1.415 -1.347 -4.342 1.00 0.07 O ATOM 1181 CB GLN A 78 1.239 -1.851 -5.906 1.00 0.08 C ATOM 1182 CG GLN A 78 2.604 -1.202 -6.121 1.00 0.12 C ATOM 1183 CD GLN A 78 3.658 -2.291 -6.331 1.00 0.14 C ATOM 1184 OE1 GLN A 78 3.332 -3.411 -6.674 1.00 0.81 O ATOM 1185 NE2 GLN A 78 4.917 -2.010 -6.137 1.00 1.03 N ATOM 0 H GLN A 78 0.587 0.233 -4.257 1.00 0.07 H new ATOM 0 HA GLN A 78 0.049 -0.547 -7.123 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.188 -2.297 -4.913 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.090 -2.657 -6.625 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.572 -0.540 -6.986 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.867 -0.588 -5.260 1.00 0.12 H new ATOM 0 HE21 GLN A 78 5.191 -1.071 -5.849 1.00 1.03 H new ATOM 0 HE22 GLN A 78 5.627 -2.730 -6.273 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.064 -1.701 -6.416 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.410 -2.192 -5.990 1.00 0.07 C ATOM 1196 C PHE A 79 -3.534 -3.679 -6.293 1.00 0.07 C ATOM 1197 O PHE A 79 -3.320 -4.120 -7.404 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.475 -1.412 -6.766 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.426 0.039 -6.341 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.328 0.835 -6.698 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.462 0.585 -5.569 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.264 2.178 -6.294 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.401 1.926 -5.156 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.302 2.724 -5.517 1.00 0.11 C ATOM 0 H PHE A 79 -1.910 -1.693 -7.424 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.544 -2.042 -4.919 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.298 -1.497 -7.838 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.463 -1.828 -6.572 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.527 0.413 -7.287 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.308 -0.027 -5.292 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.421 2.790 -6.579 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.199 2.344 -4.561 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.254 3.755 -5.198 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.885 -4.453 -5.296 1.00 0.07 N ATOM 1215 CA PHE A 80 -4.037 -5.925 -5.482 1.00 0.08 C ATOM 1216 C PHE A 80 -5.417 -6.344 -4.984 1.00 0.11 C ATOM 1217 O PHE A 80 -6.037 -5.665 -4.190 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.963 -6.660 -4.679 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.610 -6.456 -5.323 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.239 -7.228 -6.443 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.714 -5.502 -4.800 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.024 -7.044 -7.038 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.547 -5.319 -5.396 1.00 0.11 C ATOM 1224 CZ PHE A 80 0.916 -6.089 -6.515 1.00 0.14 C ATOM 0 H PHE A 80 -4.074 -4.121 -4.350 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.929 -6.175 -6.537 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.947 -6.291 -3.654 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.196 -7.724 -4.631 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.924 -7.961 -6.845 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.996 -4.911 -3.941 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.308 -7.636 -7.896 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.232 -4.587 -4.995 1.00 0.11 H new ATOM 0 HZ PHE A 80 1.884 -5.947 -6.972 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.904 -7.457 -5.447 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.244 -7.927 -5.009 1.00 0.14 C ATOM 1236 C LYS A 81 -7.271 -9.443 -5.173 1.00 0.14 C ATOM 1237 O LYS A 81 -7.039 -9.953 -6.248 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.319 -7.264 -5.888 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.681 -7.282 -5.179 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.684 -6.417 -5.959 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.897 -6.116 -5.077 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.955 -5.459 -5.896 1.00 1.48 N ATOM 0 H LYS A 81 -5.429 -8.065 -6.114 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.442 -7.663 -3.970 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -8.032 -6.236 -6.110 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.392 -7.788 -6.841 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -10.049 -8.305 -5.105 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.577 -6.906 -4.161 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.210 -5.487 -6.273 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -11.000 -6.935 -6.864 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -12.280 -7.038 -4.640 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -11.607 -5.468 -4.250 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.780 -5.254 -5.297 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.586 -4.571 -6.293 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -13.238 -6.093 -6.670 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.521 -10.167 -4.119 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.532 -11.654 -4.221 1.00 0.20 C ATOM 1258 C LYS A 82 -6.189 -12.145 -4.775 1.00 0.20 C ATOM 1259 O LYS A 82 -6.123 -13.125 -5.491 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.673 -12.109 -5.146 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.997 -12.097 -4.383 1.00 0.24 C ATOM 1262 CD LYS A 82 -11.134 -12.537 -5.317 1.00 0.36 C ATOM 1263 CE LYS A 82 -11.319 -11.525 -6.468 1.00 1.19 C ATOM 1264 NZ LYS A 82 -12.772 -11.394 -6.775 1.00 1.67 N ATOM 0 H LYS A 82 -7.718 -9.794 -3.190 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.689 -12.077 -3.229 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.736 -11.450 -6.012 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.470 -13.111 -5.523 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.939 -12.765 -3.524 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.197 -11.098 -3.996 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.914 -13.523 -5.726 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -12.062 -12.626 -4.752 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -10.905 -10.556 -6.187 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -10.777 -11.859 -7.353 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -12.903 -10.713 -7.550 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -13.152 -12.320 -7.059 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -13.276 -11.058 -5.930 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.118 -11.483 -4.441 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.787 -11.924 -4.942 1.00 0.21 C ATOM 1280 C GLY A 83 -3.623 -11.537 -6.412 1.00 0.19 C ATOM 1281 O GLY A 83 -2.696 -11.969 -7.070 1.00 0.22 O ATOM 0 H GLY A 83 -5.106 -10.656 -3.843 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.996 -11.467 -4.347 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.687 -13.003 -4.829 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.521 -10.731 -6.937 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.423 -10.311 -8.379 1.00 0.17 C ATOM 1287 C GLN A 84 -4.180 -8.801 -8.480 1.00 0.16 C ATOM 1288 O GLN A 84 -4.693 -8.030 -7.701 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.735 -10.655 -9.096 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.782 -12.157 -9.383 1.00 0.23 C ATOM 1291 CD GLN A 84 -4.874 -12.464 -10.572 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -4.137 -11.508 -11.064 1.00 1.86 O flip ATOM 1293 NE2 GLN A 84 -4.837 -13.578 -11.055 1.00 2.08 N flip ATOM 0 H GLN A 84 -5.318 -10.345 -6.430 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.590 -10.838 -8.844 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.586 -10.365 -8.479 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.811 -10.094 -10.027 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -5.458 -12.718 -8.507 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -6.804 -12.467 -9.600 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -5.416 -14.322 -10.666 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -4.227 -13.769 -11.850 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.408 -8.374 -9.450 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.139 -6.913 -9.612 1.00 0.17 C ATOM 1304 C LYS A 85 -4.259 -6.278 -10.436 1.00 0.16 C ATOM 1305 O LYS A 85 -4.779 -6.882 -11.353 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.804 -6.705 -10.333 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.543 -5.195 -10.496 1.00 0.25 C ATOM 1308 CD LYS A 85 -0.056 -4.924 -10.778 1.00 0.30 C ATOM 1309 CE LYS A 85 0.267 -5.270 -12.236 1.00 0.89 C ATOM 1310 NZ LYS A 85 -0.609 -4.477 -13.144 1.00 1.70 N ATOM 0 H LYS A 85 -2.953 -8.976 -10.136 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.094 -6.447 -8.628 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.996 -7.166 -9.766 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.825 -7.189 -11.309 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.150 -4.803 -11.312 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.848 -4.669 -9.591 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.176 -3.877 -10.583 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.565 -5.518 -10.107 1.00 0.30 H new ATOM 0 HE2 LYS A 85 1.315 -5.057 -12.447 1.00 0.89 H new ATOM 0 HE3 LYS A 85 0.117 -6.336 -12.409 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 -0.049 -4.126 -13.947 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 -1.380 -5.080 -13.496 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 -1.010 -3.671 -12.623 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.634 -5.063 -10.111 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.726 -4.368 -10.864 1.00 0.16 C ATOM 1326 C VAL A 86 -5.224 -3.015 -11.382 1.00 0.18 C ATOM 1327 O VAL A 86 -5.761 -2.469 -12.324 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.918 -4.149 -9.930 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.539 -5.498 -9.566 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.447 -3.445 -8.656 1.00 0.17 C ATOM 0 H VAL A 86 -4.227 -4.519 -9.350 1.00 0.15 H new ATOM 0 HA VAL A 86 -6.030 -4.982 -11.712 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.662 -3.531 -10.433 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.388 -5.340 -8.901 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.877 -5.999 -10.473 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.795 -6.117 -9.065 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.297 -3.289 -7.991 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.702 -4.062 -8.154 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.007 -2.482 -8.914 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.199 -2.466 -10.781 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.682 -1.149 -11.261 1.00 0.18 C ATOM 1342 C GLY A 87 -2.513 -0.684 -10.391 1.00 0.10 C ATOM 1343 O GLY A 87 -2.103 -1.361 -9.468 1.00 0.08 O ATOM 0 H GLY A 87 -3.702 -2.868 -9.986 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.359 -1.234 -12.299 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.480 -0.407 -11.235 1.00 0.18 H new ATOM 1347 N GLU A 88 -1.974 0.472 -10.681 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.831 0.992 -9.878 1.00 0.10 C ATOM 1349 C GLU A 88 -0.488 2.416 -10.319 1.00 0.10 C ATOM 1350 O GLU A 88 -0.740 2.811 -11.440 1.00 0.11 O ATOM 1351 CB GLU A 88 0.390 0.088 -10.079 1.00 0.17 C ATOM 1352 CG GLU A 88 0.483 -0.327 -11.550 1.00 0.25 C ATOM 1353 CD GLU A 88 1.887 -0.855 -11.847 1.00 1.25 C ATOM 1354 OE1 GLU A 88 2.333 -1.735 -11.129 1.00 1.94 O ATOM 1355 OE2 GLU A 88 2.494 -0.369 -12.787 1.00 2.04 O ATOM 0 H GLU A 88 -2.278 1.079 -11.442 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.110 1.001 -8.824 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.297 0.613 -9.780 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.310 -0.795 -9.445 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.259 -1.095 -11.769 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.260 0.524 -12.193 1.00 0.25 H new ATOM 1362 N PHE A 89 0.108 3.182 -9.446 1.00 0.09 N ATOM 1363 CA PHE A 89 0.492 4.574 -9.814 1.00 0.09 C ATOM 1364 C PHE A 89 1.407 5.165 -8.735 1.00 0.09 C ATOM 1365 O PHE A 89 1.127 5.089 -7.561 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.764 5.451 -10.019 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.350 5.928 -8.698 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.695 6.925 -7.941 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.565 5.385 -8.232 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.251 7.368 -6.730 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.120 5.833 -7.019 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.463 6.825 -6.269 1.00 0.11 C ATOM 0 H PHE A 89 0.345 2.904 -8.494 1.00 0.09 H new ATOM 0 HA PHE A 89 1.038 4.552 -10.757 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.507 6.314 -10.634 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.517 4.883 -10.565 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.234 7.347 -8.294 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.071 4.624 -8.807 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.746 8.128 -6.151 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.050 5.415 -6.664 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.890 7.170 -5.339 1.00 0.11 H new ATOM 1382 N SER A 90 2.506 5.757 -9.130 1.00 0.13 N ATOM 1383 CA SER A 90 3.451 6.366 -8.136 1.00 0.14 C ATOM 1384 C SER A 90 3.281 7.890 -8.150 1.00 0.14 C ATOM 1385 O SER A 90 2.295 8.409 -8.634 1.00 0.17 O ATOM 1386 CB SER A 90 4.884 6.007 -8.528 1.00 0.15 C ATOM 1387 OG SER A 90 5.323 6.879 -9.563 1.00 0.16 O ATOM 0 H SER A 90 2.794 5.847 -10.104 1.00 0.13 H new ATOM 0 HA SER A 90 3.239 5.986 -7.137 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.542 6.092 -7.663 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.932 4.971 -8.865 1.00 0.15 H new ATOM 0 HG SER A 90 5.919 7.560 -9.186 1.00 0.16 H new ATOM 1393 N GLY A 91 4.233 8.612 -7.627 1.00 0.12 N ATOM 1394 CA GLY A 91 4.126 10.102 -7.615 1.00 0.13 C ATOM 1395 C GLY A 91 3.303 10.544 -6.407 1.00 0.13 C ATOM 1396 O GLY A 91 2.303 9.940 -6.072 1.00 0.13 O ATOM 0 H GLY A 91 5.083 8.236 -7.206 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.120 10.548 -7.574 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.657 10.451 -8.535 1.00 0.13 H new ATOM 1400 N ALA A 92 3.720 11.582 -5.736 1.00 0.15 N ATOM 1401 CA ALA A 92 2.956 12.035 -4.537 1.00 0.17 C ATOM 1402 C ALA A 92 1.547 12.493 -4.932 1.00 0.15 C ATOM 1403 O ALA A 92 1.329 13.630 -5.301 1.00 0.16 O ATOM 1404 CB ALA A 92 3.703 13.193 -3.853 1.00 0.20 C ATOM 0 H ALA A 92 4.548 12.132 -5.962 1.00 0.15 H new ATOM 0 HA ALA A 92 2.868 11.197 -3.846 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.142 13.521 -2.978 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.693 12.856 -3.544 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.804 14.024 -4.552 1.00 0.20 H new ATOM 1410 N ASN A 93 0.584 11.617 -4.825 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.823 11.985 -5.158 1.00 0.13 C ATOM 1412 C ASN A 93 -1.740 11.327 -4.120 1.00 0.12 C ATOM 1413 O ASN A 93 -2.439 10.375 -4.405 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.162 11.481 -6.566 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.352 12.263 -7.121 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -2.497 12.401 -8.319 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -3.223 12.775 -6.296 1.00 1.15 N ATOM 0 H ASN A 93 0.713 10.653 -4.518 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.956 13.067 -5.139 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.300 11.599 -7.222 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.396 10.417 -6.535 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -4.025 13.291 -6.657 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -3.102 12.659 -5.290 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.718 11.818 -2.909 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.556 11.219 -1.831 1.00 0.20 C ATOM 1426 C LYS A 94 -4.047 11.351 -2.160 1.00 0.18 C ATOM 1427 O LYS A 94 -4.832 10.475 -1.854 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.262 11.930 -0.501 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.166 13.467 -0.716 1.00 0.38 C ATOM 1430 CD LYS A 94 -0.694 13.910 -0.815 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.116 14.112 0.589 1.00 0.78 C ATOM 1432 NZ LYS A 94 1.352 14.350 0.493 1.00 1.19 N ATOM 0 H LYS A 94 -1.151 12.615 -2.619 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.311 10.160 -1.751 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.048 11.706 0.220 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.328 11.556 -0.081 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -2.697 13.746 -1.626 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.653 13.986 0.110 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.114 13.159 -1.352 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -0.621 14.836 -1.385 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.601 14.958 1.075 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.313 13.234 1.205 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.820 13.979 1.344 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 1.728 13.867 -0.348 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 1.534 15.371 0.415 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.451 12.431 -2.765 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.895 12.592 -3.085 1.00 0.20 C ATOM 1448 C GLU A 95 -6.309 11.521 -4.096 1.00 0.17 C ATOM 1449 O GLU A 95 -7.454 11.124 -4.165 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.132 13.979 -3.684 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.775 15.051 -2.650 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.219 16.423 -3.162 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -6.870 16.467 -4.193 1.00 1.95 O ATOM 1454 OE2 GLU A 95 -5.897 17.406 -2.515 1.00 1.86 O ATOM 0 H GLU A 95 -3.849 13.204 -3.050 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.487 12.485 -2.176 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.526 14.108 -4.581 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.174 14.083 -3.986 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.261 14.831 -1.700 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -4.701 15.050 -2.466 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.379 11.048 -4.878 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.707 10.000 -5.881 1.00 0.14 C ATOM 1463 C LYS A 96 -6.044 8.698 -5.167 1.00 0.12 C ATOM 1464 O LYS A 96 -6.923 7.974 -5.577 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.513 9.786 -6.806 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.830 8.685 -7.821 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.792 8.701 -8.972 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.310 9.551 -10.142 1.00 1.18 C ATOM 1469 NZ LYS A 96 -4.946 10.791 -9.617 1.00 2.05 N ATOM 0 H LYS A 96 -4.403 11.344 -4.865 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.566 10.319 -6.471 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.274 10.714 -7.326 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.634 9.512 -6.222 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.822 7.713 -7.328 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.832 8.830 -8.224 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.845 9.103 -8.612 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.598 7.683 -9.310 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -3.488 9.807 -10.810 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -5.031 8.981 -10.728 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -5.235 11.396 -10.412 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -5.782 10.540 -9.051 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -4.266 11.304 -9.021 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.360 8.384 -4.101 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.674 7.114 -3.386 1.00 0.11 C ATOM 1485 C LEU A 97 -7.176 7.056 -3.125 1.00 0.11 C ATOM 1486 O LEU A 97 -7.789 6.009 -3.186 1.00 0.11 O ATOM 1487 CB LEU A 97 -4.924 7.060 -2.041 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.417 7.300 -2.232 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.782 7.611 -0.874 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -2.736 6.053 -2.820 1.00 0.13 C ATOM 0 H LEU A 97 -4.608 8.943 -3.698 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.362 6.268 -3.999 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.331 7.811 -1.365 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.083 6.089 -1.572 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.283 8.135 -2.919 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.713 7.782 -1.003 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.244 8.503 -0.452 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -2.936 6.769 -0.199 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -1.671 6.246 -2.946 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -2.874 5.210 -2.143 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.180 5.818 -3.788 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.771 8.174 -2.842 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.236 8.187 -2.582 1.00 0.14 C ATOM 1504 C GLU A 98 -9.984 7.842 -3.874 1.00 0.13 C ATOM 1505 O GLU A 98 -10.772 6.918 -3.921 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.653 9.579 -2.106 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.107 9.548 -1.631 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.467 10.898 -1.010 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -10.574 11.543 -0.483 1.00 2.05 O ATOM 1510 OE2 GLU A 98 -12.629 11.265 -1.070 1.00 2.15 O ATOM 0 H GLU A 98 -7.309 9.081 -2.779 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.479 7.452 -1.814 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.002 9.907 -1.295 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.540 10.300 -2.916 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.770 9.332 -2.469 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.246 8.751 -0.901 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.744 8.585 -4.918 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.440 8.316 -6.208 1.00 0.14 C ATOM 1519 C ALA A 99 -10.130 6.898 -6.699 1.00 0.12 C ATOM 1520 O ALA A 99 -11.004 6.194 -7.150 1.00 0.13 O ATOM 1521 CB ALA A 99 -9.977 9.328 -7.254 1.00 0.15 C ATOM 0 H ALA A 99 -9.093 9.370 -4.934 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.515 8.407 -6.054 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.485 9.133 -8.199 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.215 10.336 -6.915 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.900 9.238 -7.396 1.00 0.15 H new ATOM 1527 N THR A 100 -8.894 6.478 -6.623 1.00 0.11 N ATOM 1528 CA THR A 100 -8.534 5.108 -7.099 1.00 0.11 C ATOM 1529 C THR A 100 -9.206 4.063 -6.210 1.00 0.10 C ATOM 1530 O THR A 100 -9.753 3.088 -6.685 1.00 0.11 O ATOM 1531 CB THR A 100 -7.015 4.931 -7.047 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.390 6.039 -7.679 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.623 3.643 -7.774 1.00 0.12 C ATOM 0 H THR A 100 -8.117 7.025 -6.252 1.00 0.11 H new ATOM 0 HA THR A 100 -8.877 4.979 -8.126 1.00 0.11 H new ATOM 0 HB THR A 100 -6.692 4.872 -6.008 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.466 6.829 -7.104 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.541 3.519 -7.736 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.103 2.792 -7.291 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.945 3.700 -8.814 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.179 4.260 -4.923 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.829 3.277 -4.008 1.00 0.11 C ATOM 1543 C ILE A 101 -11.328 3.224 -4.325 1.00 0.13 C ATOM 1544 O ILE A 101 -11.881 2.172 -4.567 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.614 3.714 -2.543 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.168 3.380 -2.122 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.605 2.978 -1.627 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.762 4.175 -0.870 1.00 0.18 C ATOM 0 H ILE A 101 -8.737 5.056 -4.464 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.390 2.289 -4.148 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.782 4.787 -2.455 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.081 2.312 -1.923 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.485 3.609 -2.940 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.448 3.291 -0.595 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.625 3.218 -1.927 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.446 1.903 -1.708 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.738 3.921 -0.594 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -7.827 5.243 -1.080 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.432 3.925 -0.047 1.00 0.18 H new ATOM 1560 N ASN A 102 -11.986 4.351 -4.319 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.449 4.366 -4.610 1.00 0.17 C ATOM 1562 C ASN A 102 -13.705 3.812 -6.013 1.00 0.18 C ATOM 1563 O ASN A 102 -14.809 3.438 -6.350 1.00 0.21 O ATOM 1564 CB ASN A 102 -13.963 5.806 -4.532 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.463 5.830 -4.834 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -15.873 5.578 -5.949 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.304 6.125 -3.882 1.00 1.03 N ATOM 0 H ASN A 102 -11.574 5.264 -4.125 1.00 0.14 H new ATOM 0 HA ASN A 102 -13.969 3.747 -3.879 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.774 6.217 -3.540 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.428 6.433 -5.245 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.306 6.144 -4.074 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.960 6.337 -2.945 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.694 3.766 -6.835 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.880 3.247 -8.219 1.00 0.18 C ATOM 1576 C GLU A 103 -12.972 1.717 -8.205 1.00 0.19 C ATOM 1577 O GLU A 103 -13.936 1.138 -8.665 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.682 3.671 -9.082 1.00 0.17 C ATOM 1579 CG GLU A 103 -12.059 3.602 -10.564 1.00 0.22 C ATOM 1580 CD GLU A 103 -10.823 3.896 -11.416 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -9.726 3.771 -10.897 1.00 2.01 O ATOM 1582 OE2 GLU A 103 -10.995 4.242 -12.574 1.00 2.02 O ATOM 0 H GLU A 103 -11.746 4.066 -6.608 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.803 3.655 -8.630 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.376 4.684 -8.822 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.831 3.020 -8.883 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -12.454 2.615 -10.805 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.846 4.323 -10.784 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.960 1.064 -7.703 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.955 -0.430 -7.678 1.00 0.19 C ATOM 1591 C LEU A 104 -12.517 -0.940 -6.348 1.00 0.19 C ATOM 1592 O LEU A 104 -12.336 -2.087 -5.990 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.512 -0.921 -7.851 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.861 -0.237 -9.063 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.370 -0.571 -9.090 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.515 -0.735 -10.357 1.00 0.35 C ATOM 0 H LEU A 104 -11.129 1.503 -7.306 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.579 -0.810 -8.487 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.937 -0.706 -6.950 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.502 -2.003 -7.986 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.998 0.841 -8.983 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.904 -0.087 -9.949 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.900 -0.214 -8.174 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.240 -1.651 -9.167 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -10.048 -0.246 -11.212 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.383 -1.814 -10.440 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.579 -0.500 -10.341 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.204 -0.107 -5.616 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.778 -0.564 -4.317 1.00 0.22 C ATOM 1610 C VAL A 105 -14.807 -1.668 -4.579 1.00 0.26 C ATOM 1611 O VAL A 105 -15.322 -1.718 -5.684 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.461 0.613 -3.613 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.557 1.187 -4.515 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.074 0.136 -2.292 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.060 -2.443 -3.672 1.00 1.18 O ATOM 0 H VAL A 105 -13.393 0.866 -5.859 1.00 0.20 H new ATOM 0 HA VAL A 105 -12.980 -0.949 -3.683 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.723 1.389 -3.408 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.041 2.024 -4.012 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.115 1.532 -5.450 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.296 0.414 -4.726 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.559 0.974 -1.792 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.810 -0.642 -2.493 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.289 -0.264 -1.650 1.00 0.27 H new TER 1625 VAL A 105 ATOM 1626 N PHE B 1 22.837 2.314 6.943 1.00 0.00 N ATOM 1627 CA PHE B 1 22.788 2.775 5.527 1.00 0.00 C ATOM 1628 C PHE B 1 21.710 1.986 4.773 1.00 0.00 C ATOM 1629 O PHE B 1 21.859 0.808 4.513 1.00 0.00 O ATOM 1630 CB PHE B 1 24.156 2.549 4.869 1.00 0.00 C ATOM 1631 CG PHE B 1 24.048 2.772 3.375 1.00 0.00 C ATOM 1632 CD1 PHE B 1 23.848 4.070 2.872 1.00 0.00 C ATOM 1633 CD2 PHE B 1 24.135 1.679 2.491 1.00 0.00 C ATOM 1634 CE1 PHE B 1 23.736 4.277 1.484 1.00 0.00 C ATOM 1635 CE2 PHE B 1 24.027 1.886 1.103 1.00 0.00 C ATOM 1636 CZ PHE B 1 23.827 3.185 0.599 1.00 0.00 C ATOM 0 H1 PHE B 1 23.567 2.847 7.457 1.00 0.00 H new ATOM 0 H2 PHE B 1 21.912 2.472 7.392 1.00 0.00 H new ATOM 0 H3 PHE B 1 23.066 1.300 6.970 1.00 0.00 H new ATOM 0 HA PHE B 1 22.546 3.837 5.494 1.00 0.00 H new ATOM 0 HB2 PHE B 1 24.892 3.230 5.296 1.00 0.00 H new ATOM 0 HB3 PHE B 1 24.504 1.536 5.071 1.00 0.00 H new ATOM 0 HD1 PHE B 1 23.780 4.908 3.550 1.00 0.00 H new ATOM 0 HD2 PHE B 1 24.285 0.682 2.878 1.00 0.00 H new ATOM 0 HE1 PHE B 1 23.580 5.273 1.098 1.00 0.00 H new ATOM 0 HE2 PHE B 1 24.098 1.048 0.425 1.00 0.00 H new ATOM 0 HZ PHE B 1 23.743 3.344 -0.466 1.00 0.00 H new ATOM 1648 N ARG B 2 20.628 2.632 4.418 1.00 0.00 N ATOM 1649 CA ARG B 2 19.531 1.934 3.674 1.00 0.00 C ATOM 1650 C ARG B 2 19.016 2.858 2.560 1.00 0.00 C ATOM 1651 O ARG B 2 17.890 3.322 2.589 1.00 0.00 O ATOM 1652 CB ARG B 2 18.387 1.590 4.654 1.00 0.00 C ATOM 1653 CG ARG B 2 18.660 0.238 5.337 1.00 0.00 C ATOM 1654 CD ARG B 2 17.429 -0.212 6.133 1.00 0.00 C ATOM 1655 NE ARG B 2 17.384 0.511 7.434 1.00 0.00 N ATOM 1656 CZ ARG B 2 16.295 0.491 8.152 1.00 0.00 C ATOM 1657 NH1 ARG B 2 15.242 -0.153 7.726 1.00 0.00 N ATOM 1658 NH2 ARG B 2 16.259 1.114 9.296 1.00 0.00 N ATOM 0 H ARG B 2 20.455 3.618 4.612 1.00 0.00 H new ATOM 0 HA ARG B 2 19.906 1.011 3.231 1.00 0.00 H new ATOM 0 HB2 ARG B 2 18.295 2.374 5.406 1.00 0.00 H new ATOM 0 HB3 ARG B 2 17.439 1.550 4.118 1.00 0.00 H new ATOM 0 HG2 ARG B 2 18.911 -0.512 4.587 1.00 0.00 H new ATOM 0 HG3 ARG B 2 19.520 0.325 6.001 1.00 0.00 H new ATOM 0 HD2 ARG B 2 16.522 -0.012 5.563 1.00 0.00 H new ATOM 0 HD3 ARG B 2 17.467 -1.288 6.304 1.00 0.00 H new ATOM 0 HE ARG B 2 18.204 1.021 7.763 1.00 0.00 H new ATOM 0 HH11 ARG B 2 15.270 -0.641 6.831 1.00 0.00 H new ATOM 0 HH12 ARG B 2 14.391 -0.168 8.288 1.00 0.00 H new ATOM 0 HH21 ARG B 2 17.082 1.617 9.629 1.00 0.00 H new ATOM 0 HH22 ARG B 2 15.408 1.099 9.858 1.00 0.00 H new ATOM 1672 N PHE B 3 19.837 3.120 1.572 1.00 0.00 N ATOM 1673 CA PHE B 3 19.420 4.006 0.440 1.00 0.00 C ATOM 1674 C PHE B 3 19.074 3.141 -0.776 1.00 0.00 C ATOM 1675 O PHE B 3 19.515 2.015 -0.895 1.00 0.00 O ATOM 1676 CB PHE B 3 20.574 4.948 0.082 1.00 0.00 C ATOM 1677 CG PHE B 3 20.620 6.085 1.079 1.00 0.00 C ATOM 1678 CD1 PHE B 3 21.058 5.849 2.395 1.00 0.00 C ATOM 1679 CD2 PHE B 3 20.221 7.375 0.690 1.00 0.00 C ATOM 1680 CE1 PHE B 3 21.098 6.907 3.322 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.261 8.434 1.615 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.701 8.201 2.933 1.00 0.00 C ATOM 0 H PHE B 3 20.787 2.755 1.501 1.00 0.00 H new ATOM 0 HA PHE B 3 18.549 4.592 0.733 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.518 4.404 0.090 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.440 5.339 -0.927 1.00 0.00 H new ATOM 0 HD1 PHE B 3 21.363 4.857 2.693 1.00 0.00 H new ATOM 0 HD2 PHE B 3 19.883 7.554 -0.320 1.00 0.00 H new ATOM 0 HE1 PHE B 3 21.433 6.726 4.333 1.00 0.00 H new ATOM 0 HE2 PHE B 3 19.955 9.425 1.315 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.734 9.013 3.644 1.00 0.00 H new ATOM 1692 N ARG B 4 18.287 3.662 -1.681 1.00 0.00 N ATOM 1693 CA ARG B 4 17.907 2.878 -2.894 1.00 0.00 C ATOM 1694 C ARG B 4 17.802 3.834 -4.095 1.00 0.00 C ATOM 1695 O ARG B 4 18.804 4.312 -4.588 1.00 0.00 O ATOM 1696 CB ARG B 4 16.562 2.172 -2.630 1.00 0.00 C ATOM 1697 CG ARG B 4 16.811 0.769 -2.045 1.00 0.00 C ATOM 1698 CD ARG B 4 17.388 -0.180 -3.128 1.00 0.00 C ATOM 1699 NE ARG B 4 16.566 -1.418 -3.182 1.00 0.00 N ATOM 1700 CZ ARG B 4 16.650 -2.213 -4.213 1.00 0.00 C ATOM 1701 NH1 ARG B 4 17.441 -1.915 -5.209 1.00 0.00 N ATOM 1702 NH2 ARG B 4 15.939 -3.306 -4.251 1.00 0.00 N ATOM 0 H ARG B 4 17.890 4.600 -1.632 1.00 0.00 H new ATOM 0 HA ARG B 4 18.660 2.122 -3.117 1.00 0.00 H new ATOM 0 HB2 ARG B 4 15.961 2.762 -1.938 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.995 2.093 -3.557 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.504 0.837 -1.206 1.00 0.00 H new ATOM 0 HG3 ARG B 4 15.878 0.361 -1.656 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.387 0.314 -4.100 1.00 0.00 H new ATOM 0 HD3 ARG B 4 18.424 -0.427 -2.897 1.00 0.00 H new ATOM 0 HE ARG B 4 15.936 -1.646 -2.413 1.00 0.00 H new ATOM 0 HH11 ARG B 4 17.995 -1.059 -5.182 1.00 0.00 H new ATOM 0 HH12 ARG B 4 17.505 -2.538 -6.014 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.319 -3.538 -3.475 1.00 0.00 H new ATOM 0 HH22 ARG B 4 16.003 -3.929 -5.056 1.00 0.00 H new ATOM 1716 N TYR B 5 16.606 4.117 -4.568 1.00 0.00 N ATOM 1717 CA TYR B 5 16.444 5.041 -5.739 1.00 0.00 C ATOM 1718 C TYR B 5 15.807 6.363 -5.294 1.00 0.00 C ATOM 1719 O TYR B 5 15.611 6.613 -4.120 1.00 0.00 O ATOM 1720 CB TYR B 5 15.601 4.363 -6.835 1.00 0.00 C ATOM 1721 CG TYR B 5 14.492 3.535 -6.235 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.753 2.234 -5.771 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.196 4.054 -6.175 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.709 1.456 -5.234 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.151 3.280 -5.648 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.404 1.981 -5.172 1.00 0.00 C ATOM 1727 OH TYR B 5 11.374 1.220 -4.654 1.00 0.00 O ATOM 0 H TYR B 5 15.734 3.746 -4.191 1.00 0.00 H new ATOM 0 HA TYR B 5 17.428 5.264 -6.152 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.177 5.122 -7.493 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.240 3.729 -7.449 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.754 1.831 -5.826 1.00 0.00 H new ATOM 0 HD2 TYR B 5 12.998 5.053 -6.535 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.909 0.459 -4.871 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.150 3.683 -5.608 1.00 0.00 H new ATOM 0 HH TYR B 5 11.723 0.352 -4.363 1.00 0.00 H new ATOM 1737 N VAL B 6 15.534 7.226 -6.233 1.00 0.00 N ATOM 1738 CA VAL B 6 14.965 8.569 -5.908 1.00 0.00 C ATOM 1739 C VAL B 6 13.555 8.482 -5.320 1.00 0.00 C ATOM 1740 O VAL B 6 12.748 7.655 -5.701 1.00 0.00 O ATOM 1741 CB VAL B 6 14.902 9.403 -7.189 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.776 10.884 -6.833 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.173 9.188 -8.004 1.00 0.00 C ATOM 0 H VAL B 6 15.683 7.057 -7.228 1.00 0.00 H new ATOM 0 HA VAL B 6 15.613 9.026 -5.161 1.00 0.00 H new ATOM 0 HB VAL B 6 14.036 9.094 -7.775 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.731 11.476 -7.747 1.00 0.00 H new ATOM 0 HG12 VAL B 6 13.867 11.043 -6.253 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.640 11.191 -6.244 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.126 9.783 -8.916 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.038 9.494 -7.416 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.265 8.133 -8.263 1.00 0.00 H new ATOM 1753 N CYS B 7 13.248 9.381 -4.419 1.00 0.00 N ATOM 1754 CA CYS B 7 11.885 9.431 -3.815 1.00 0.00 C ATOM 1755 C CYS B 7 11.113 10.554 -4.503 1.00 0.00 C ATOM 1756 O CYS B 7 11.221 11.706 -4.130 1.00 0.00 O ATOM 1757 CB CYS B 7 11.983 9.745 -2.323 1.00 0.00 C ATOM 1758 SG CYS B 7 13.057 8.557 -1.478 1.00 0.00 S ATOM 0 H CYS B 7 13.894 10.091 -4.073 1.00 0.00 H new ATOM 0 HA CYS B 7 11.385 8.471 -3.943 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.372 10.754 -2.185 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.989 9.723 -1.877 1.00 0.00 H new ATOM 1763 N GLU B 8 10.352 10.243 -5.515 1.00 0.00 N ATOM 1764 CA GLU B 8 9.601 11.315 -6.231 1.00 0.00 C ATOM 1765 C GLU B 8 8.289 11.629 -5.509 1.00 0.00 C ATOM 1766 O GLU B 8 7.254 11.850 -6.122 1.00 0.00 O ATOM 1767 CB GLU B 8 9.305 10.872 -7.665 1.00 0.00 C ATOM 1768 CG GLU B 8 8.839 9.408 -7.675 1.00 0.00 C ATOM 1769 CD GLU B 8 8.039 9.132 -8.952 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.654 8.798 -9.952 1.00 0.00 O ATOM 1771 OE2 GLU B 8 6.827 9.257 -8.907 1.00 0.00 O ATOM 0 H GLU B 8 10.217 9.299 -5.877 1.00 0.00 H new ATOM 0 HA GLU B 8 10.215 12.215 -6.247 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.536 11.510 -8.101 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.198 10.983 -8.281 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.700 8.741 -7.622 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.224 9.205 -6.798 1.00 0.00 H new ATOM 1778 N GLY B 9 8.327 11.694 -4.214 1.00 0.00 N ATOM 1779 CA GLY B 9 7.094 12.045 -3.468 1.00 0.00 C ATOM 1780 C GLY B 9 6.789 13.519 -3.800 1.00 0.00 C ATOM 1781 O GLY B 9 6.832 13.876 -4.959 1.00 0.00 O ATOM 0 H GLY B 9 9.153 11.521 -3.641 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.265 11.401 -3.763 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.237 11.910 -2.396 1.00 0.00 H new ATOM 1785 N PRO B 10 6.524 14.367 -2.818 1.00 0.00 N ATOM 1786 CA PRO B 10 6.266 15.789 -3.114 1.00 0.00 C ATOM 1787 C PRO B 10 7.561 16.433 -3.647 1.00 0.00 C ATOM 1788 O PRO B 10 7.742 17.633 -3.594 1.00 0.00 O ATOM 1789 CB PRO B 10 5.840 16.410 -1.759 1.00 0.00 C ATOM 1790 CG PRO B 10 5.973 15.297 -0.676 1.00 0.00 C ATOM 1791 CD PRO B 10 6.441 14.006 -1.386 1.00 0.00 C ATOM 0 HA PRO B 10 5.497 15.940 -3.871 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.471 17.264 -1.512 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.815 16.776 -1.810 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.689 15.593 0.091 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.019 15.134 -0.175 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.407 13.674 -1.006 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.737 13.189 -1.225 1.00 0.00 H new ATOM 1799 N SER B 11 8.464 15.630 -4.150 1.00 0.00 N ATOM 1800 CA SER B 11 9.760 16.152 -4.676 1.00 0.00 C ATOM 1801 C SER B 11 9.677 16.322 -6.199 1.00 0.00 C ATOM 1802 O SER B 11 10.638 16.692 -6.843 1.00 0.00 O ATOM 1803 CB SER B 11 10.871 15.149 -4.312 1.00 0.00 C ATOM 1804 OG SER B 11 11.412 15.499 -3.044 1.00 0.00 O ATOM 0 H SER B 11 8.355 14.618 -4.219 1.00 0.00 H new ATOM 0 HA SER B 11 9.980 17.124 -4.235 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.469 14.136 -4.284 1.00 0.00 H new ATOM 0 HB3 SER B 11 11.653 15.161 -5.071 1.00 0.00 H new ATOM 0 HG SER B 11 12.119 14.864 -2.804 1.00 0.00 H new ATOM 1810 N HIS B 12 8.540 16.055 -6.783 1.00 0.00 N ATOM 1811 CA HIS B 12 8.416 16.204 -8.261 1.00 0.00 C ATOM 1812 C HIS B 12 6.937 16.183 -8.656 1.00 0.00 C ATOM 1813 O HIS B 12 6.091 16.688 -7.945 1.00 0.00 O ATOM 1814 CB HIS B 12 9.154 15.051 -8.948 1.00 0.00 C ATOM 1815 CG HIS B 12 9.347 15.363 -10.409 1.00 0.00 C ATOM 1816 ND1 HIS B 12 9.359 16.662 -10.895 1.00 0.00 N ATOM 1817 CD2 HIS B 12 9.534 14.552 -11.502 1.00 0.00 C ATOM 1818 CE1 HIS B 12 9.546 16.594 -12.227 1.00 0.00 C ATOM 1819 NE2 HIS B 12 9.658 15.332 -12.648 1.00 0.00 N ATOM 0 H HIS B 12 7.696 15.742 -6.303 1.00 0.00 H new ATOM 0 HA HIS B 12 8.855 17.152 -8.573 1.00 0.00 H new ATOM 0 HB2 HIS B 12 10.121 14.891 -8.471 1.00 0.00 H new ATOM 0 HB3 HIS B 12 8.587 14.127 -8.837 1.00 0.00 H new ATOM 0 HD2 HIS B 12 9.578 13.473 -11.476 1.00 0.00 H new ATOM 0 HE1 HIS B 12 9.599 17.456 -12.876 1.00 0.00 H new ATOM 0 HE2 HIS B 12 9.803 15.009 -13.604 1.00 0.00 H new ATOM 1827 N GLY B 13 6.616 15.604 -9.782 1.00 0.00 N ATOM 1828 CA GLY B 13 5.190 15.553 -10.218 1.00 0.00 C ATOM 1829 C GLY B 13 4.501 14.349 -9.576 1.00 0.00 C ATOM 1830 O GLY B 13 4.910 13.966 -8.492 1.00 0.00 O ATOM 1831 OXT GLY B 13 3.578 13.829 -10.179 1.00 0.00 O ATOM 0 H GLY B 13 7.280 15.164 -10.419 1.00 0.00 H new ATOM 0 HA2 GLY B 13 4.679 16.472 -9.933 1.00 0.00 H new ATOM 0 HA3 GLY B 13 5.133 15.481 -11.304 1.00 0.00 H new TER 1835 GLY B 13 HETATM 1836 O HOH A 106 -7.192 -10.269 -1.207 1.00 0.24 O HETATM 1839 O HOH A 107 9.484 -3.559 5.091 1.00 0.40 O HETATM 1842 O HOH A 108 12.470 1.483 2.124 1.00 0.32 O HETATM 1845 O HOH A 109 -9.044 -8.696 -0.176 1.00 0.26 O HETATM 1848 O HOH A 110 -7.624 -12.871 0.455 1.00 0.21 O HETATM 1851 O HOH A 111 -12.414 -2.976 0.378 1.00 0.37 O