USER MOD reduce.3.24.130724 H: found=0, std=0, add=1227, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1229 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 43 GLN : amide:sc= -0.766 K(o=-4.5,f=-3.1) USER MOD Set 1.2: B 49 ASN : amide:sc= -3.74 K(o=-4.5,f=-3.1) USER MOD Set 2.1: A 17 THR OG1 : rot -170:sc= 0 USER MOD Set 2.2: B 17 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 45 THR OG1 : rot 180:sc= -0.546 USER MOD Set 3.2: B 3 LYS NZ :NH3+ -132:sc= -0.705 (180deg=-1.27) USER MOD Set 4.1: A 43 GLN : amide:sc= -1.51 K(o=-3,f=-4.5!) USER MOD Set 4.2: A 49 ASN : amide:sc= -1.5 K(o=-3,f=-8.8!) USER MOD Set 5.1: A 35 THR OG1 : rot 10:sc= 0.429 USER MOD Set 5.2: B 1 MET CE :methyl 137:sc= -0.1 (180deg=-1.83) USER MOD Set 6.1: A 1 MET CE :methyl 175:sc= -3.61 (180deg=-3.72) USER MOD Set 6.2: B 35 THR OG1 : rot 68:sc= -0.0786 USER MOD Single : A 1 MET N :NH3+ 170:sc= 0.876 (180deg=0.825) USER MOD Single : A 2 ASN : amide:sc= -2.44 K(o=-2.4,f=-18!) USER MOD Single : A 3 LYS NZ :NH3+ -170:sc= -5.25! (180deg=-5.94!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0357 K(o=-0.036,f=-0.66) USER MOD Single : A 14 THR OG1 : rot 68:sc= -5.66! USER MOD Single : A 18 GLN : amide:sc= -0.0731 X(o=-0.073,f=0) USER MOD Single : A 20 SER OG : rot -176:sc= -8.86! USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -170:sc= -14.6! (180deg=-15.4!) USER MOD Single : A 27 SER OG : rot 98:sc= 1.13 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -103:sc= 1.13 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ -144:sc= 0.302 (180deg=0.00671) USER MOD Single : B 2 ASN : amide:sc= -1.15! C(o=-1.2!,f=-16!) USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ -165:sc= 0.0373 (180deg=0.01) USER MOD Single : B 12 GLN : amide:sc= -0.153 K(o=-0.15,f=-1.1) USER MOD Single : B 14 THR OG1 : rot -65:sc= -6.36! USER MOD Single : B 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 20 SER OG : rot -74:sc= -11.9! USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 MET CE :methyl -145:sc= -9.5! (180deg=-13.8!) USER MOD Single : B 27 SER OG : rot 110:sc= -2.72 USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 THR OG1 : rot 78:sc= -4.5! USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 LYS NZ :NH3+ 157:sc= -0.143 (180deg=-0.496) USER MOD Single : B 45 THR OG1 : rot 178:sc= -0.0874 USER MOD Single : B 51 LYS NZ :NH3+ 144:sc= -0.173 (180deg=-1.42!) USER MOD Single : B 78 SER OG : rot -135:sc= -1.02 USER MOD Single : B 80 LYS NZ :NH3+ -162:sc= -4.16! (180deg=-5.09!) USER MOD Single : B 84 SER OG : rot -170:sc= -0.454 USER MOD Single : B 86 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.236) USER MOD Single : B 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.353 3.367 10.354 1.00 0.00 N ATOM 2 CA MET A 1 4.686 4.651 9.991 1.00 0.00 C ATOM 3 C MET A 1 3.190 4.420 9.768 1.00 0.00 C ATOM 4 O MET A 1 2.717 3.302 9.806 1.00 0.00 O ATOM 5 CB MET A 1 5.359 5.097 8.691 1.00 0.00 C ATOM 6 CG MET A 1 6.156 6.381 8.936 1.00 0.00 C ATOM 7 SD MET A 1 7.406 6.574 7.644 1.00 0.00 S ATOM 8 CE MET A 1 6.295 7.210 6.367 1.00 0.00 C ATOM 0 H1 MET A 1 6.385 3.495 10.338 1.00 0.00 H new ATOM 0 H2 MET A 1 5.055 3.078 11.308 1.00 0.00 H new ATOM 0 H3 MET A 1 5.085 2.631 9.670 1.00 0.00 H new ATOM 0 HA MET A 1 4.781 5.402 10.775 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.020 4.312 8.325 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.607 5.266 7.920 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.487 7.241 8.940 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.633 6.344 9.915 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.874 7.489 5.487 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.573 6.440 6.097 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.768 8.085 6.747 1.00 0.00 H new ATOM 20 N ASN A 2 2.442 5.467 9.527 1.00 0.00 N ATOM 21 CA ASN A 2 0.979 5.310 9.292 1.00 0.00 C ATOM 22 C ASN A 2 0.345 6.657 8.963 1.00 0.00 C ATOM 23 O ASN A 2 1.028 7.637 8.746 1.00 0.00 O ATOM 24 CB ASN A 2 0.404 4.749 10.598 1.00 0.00 C ATOM 25 CG ASN A 2 0.662 5.729 11.745 1.00 0.00 C ATOM 26 OD1 ASN A 2 1.412 6.672 11.597 1.00 0.00 O ATOM 27 ND2 ASN A 2 0.064 5.546 12.891 1.00 0.00 N ATOM 0 H ASN A 2 2.785 6.426 9.483 1.00 0.00 H new ATOM 0 HA ASN A 2 0.776 4.649 8.450 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -0.667 4.577 10.489 1.00 0.00 H new ATOM 0 HB3 ASN A 2 0.861 3.785 10.822 1.00 0.00 H new ATOM 0 HD21 ASN A 2 0.227 6.195 13.661 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -0.566 4.754 13.017 1.00 0.00 H new ATOM 34 N LYS A 3 -0.962 6.717 8.935 1.00 0.00 N ATOM 35 CA LYS A 3 -1.647 8.008 8.628 1.00 0.00 C ATOM 36 C LYS A 3 -1.113 9.121 9.542 1.00 0.00 C ATOM 37 O LYS A 3 -1.270 10.290 9.263 1.00 0.00 O ATOM 38 CB LYS A 3 -3.131 7.742 8.893 1.00 0.00 C ATOM 39 CG LYS A 3 -3.984 8.570 7.926 1.00 0.00 C ATOM 40 CD LYS A 3 -4.230 7.774 6.630 1.00 0.00 C ATOM 41 CE LYS A 3 -5.368 8.408 5.801 1.00 0.00 C ATOM 42 NZ LYS A 3 -6.402 8.837 6.793 1.00 0.00 N ATOM 0 H LYS A 3 -1.584 5.928 9.111 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.475 8.338 7.603 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.348 6.681 8.768 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.378 7.999 9.923 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.936 8.824 8.393 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.481 9.509 7.696 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.316 7.745 6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.484 6.743 6.875 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.004 9.257 5.223 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.781 7.692 5.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.269 9.118 6.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.615 8.048 7.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.043 9.644 7.342 1.00 0.00 H new ATOM 56 N THR A 4 -0.464 8.764 10.622 1.00 0.00 N ATOM 57 CA THR A 4 0.102 9.799 11.539 1.00 0.00 C ATOM 58 C THR A 4 1.568 10.035 11.189 1.00 0.00 C ATOM 59 O THR A 4 1.985 11.146 10.927 1.00 0.00 O ATOM 60 CB THR A 4 -0.027 9.201 12.943 1.00 0.00 C ATOM 61 OG1 THR A 4 -1.400 9.128 13.301 1.00 0.00 O ATOM 62 CG2 THR A 4 0.721 10.075 13.953 1.00 0.00 C ATOM 0 H THR A 4 -0.302 7.799 10.908 1.00 0.00 H new ATOM 0 HA THR A 4 -0.412 10.757 11.463 1.00 0.00 H new ATOM 0 HB THR A 4 0.406 8.201 12.949 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.484 8.744 14.199 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.625 9.643 14.949 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.775 10.126 13.680 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.297 11.079 13.950 1.00 0.00 H new ATOM 70 N GLU A 5 2.351 8.994 11.169 1.00 0.00 N ATOM 71 CA GLU A 5 3.785 9.165 10.818 1.00 0.00 C ATOM 72 C GLU A 5 3.878 9.682 9.384 1.00 0.00 C ATOM 73 O GLU A 5 4.638 10.581 9.088 1.00 0.00 O ATOM 74 CB GLU A 5 4.424 7.784 10.964 1.00 0.00 C ATOM 75 CG GLU A 5 4.166 7.235 12.372 1.00 0.00 C ATOM 76 CD GLU A 5 5.491 6.819 13.015 1.00 0.00 C ATOM 77 OE1 GLU A 5 6.484 7.478 12.758 1.00 0.00 O ATOM 78 OE2 GLU A 5 5.489 5.847 13.754 1.00 0.00 O ATOM 0 H GLU A 5 2.062 8.039 11.379 1.00 0.00 H new ATOM 0 HA GLU A 5 4.298 9.882 11.459 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.014 7.103 10.218 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.496 7.849 10.781 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.676 7.992 12.984 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.491 6.380 12.321 1.00 0.00 H new ATOM 85 N LEU A 6 3.085 9.152 8.491 1.00 0.00 N ATOM 86 CA LEU A 6 3.122 9.673 7.095 1.00 0.00 C ATOM 87 C LEU A 6 2.631 11.119 7.102 1.00 0.00 C ATOM 88 O LEU A 6 3.075 11.942 6.324 1.00 0.00 O ATOM 89 CB LEU A 6 2.176 8.787 6.283 1.00 0.00 C ATOM 90 CG LEU A 6 2.870 7.469 5.940 1.00 0.00 C ATOM 91 CD1 LEU A 6 1.818 6.420 5.571 1.00 0.00 C ATOM 92 CD2 LEU A 6 3.814 7.686 4.754 1.00 0.00 C ATOM 0 H LEU A 6 2.424 8.394 8.663 1.00 0.00 H new ATOM 0 HA LEU A 6 4.125 9.654 6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.267 8.593 6.852 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.877 9.300 5.369 1.00 0.00 H new ATOM 0 HG LEU A 6 3.441 7.122 6.801 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.312 5.480 5.326 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.145 6.267 6.415 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.247 6.765 4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.310 6.747 4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.242 8.032 3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.562 8.434 5.017 1.00 0.00 H new ATOM 104 N ILE A 7 1.737 11.449 8.003 1.00 0.00 N ATOM 105 CA ILE A 7 1.253 12.856 8.076 1.00 0.00 C ATOM 106 C ILE A 7 2.472 13.746 8.306 1.00 0.00 C ATOM 107 O ILE A 7 2.772 14.626 7.526 1.00 0.00 O ATOM 108 CB ILE A 7 0.271 12.896 9.267 1.00 0.00 C ATOM 109 CG1 ILE A 7 -1.163 13.040 8.744 1.00 0.00 C ATOM 110 CG2 ILE A 7 0.590 14.085 10.174 1.00 0.00 C ATOM 111 CD1 ILE A 7 -2.099 13.470 9.880 1.00 0.00 C ATOM 0 H ILE A 7 1.327 10.809 8.683 1.00 0.00 H new ATOM 0 HA ILE A 7 0.749 13.203 7.174 1.00 0.00 H new ATOM 0 HB ILE A 7 0.370 11.971 9.835 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.193 13.775 7.940 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.501 12.093 8.323 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.109 14.103 11.010 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.607 13.990 10.554 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.499 15.011 9.606 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.115 13.569 9.497 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.081 12.719 10.670 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.768 14.428 10.282 1.00 0.00 H new ATOM 123 N LYS A 8 3.194 13.486 9.361 1.00 0.00 N ATOM 124 CA LYS A 8 4.415 14.277 9.643 1.00 0.00 C ATOM 125 C LYS A 8 5.445 14.007 8.549 1.00 0.00 C ATOM 126 O LYS A 8 6.297 14.827 8.282 1.00 0.00 O ATOM 127 CB LYS A 8 4.918 13.802 11.013 1.00 0.00 C ATOM 128 CG LYS A 8 5.238 12.310 10.957 1.00 0.00 C ATOM 129 CD LYS A 8 6.037 11.902 12.195 1.00 0.00 C ATOM 130 CE LYS A 8 6.572 10.481 12.003 1.00 0.00 C ATOM 131 NZ LYS A 8 7.902 10.475 12.675 1.00 0.00 N ATOM 0 H LYS A 8 2.986 12.755 10.041 1.00 0.00 H new ATOM 0 HA LYS A 8 4.227 15.351 9.658 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.807 14.364 11.299 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.162 13.993 11.775 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.315 11.733 10.903 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.808 12.085 10.055 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.862 12.596 12.355 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.405 11.949 13.082 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.902 9.744 12.447 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.663 10.233 10.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.332 9.532 12.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.520 11.181 12.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.783 10.707 13.682 1.00 0.00 H new ATOM 145 N ALA A 9 5.363 12.873 7.888 1.00 0.00 N ATOM 146 CA ALA A 9 6.332 12.596 6.794 1.00 0.00 C ATOM 147 C ALA A 9 6.182 13.676 5.733 1.00 0.00 C ATOM 148 O ALA A 9 7.149 14.162 5.185 1.00 0.00 O ATOM 149 CB ALA A 9 5.930 11.239 6.233 1.00 0.00 C ATOM 0 H ALA A 9 4.674 12.141 8.061 1.00 0.00 H new ATOM 0 HA ALA A 9 7.368 12.591 7.132 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.603 10.968 5.419 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.991 10.487 7.020 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.908 11.289 5.858 1.00 0.00 H new ATOM 155 N ILE A 10 4.968 14.088 5.477 1.00 0.00 N ATOM 156 CA ILE A 10 4.745 15.171 4.497 1.00 0.00 C ATOM 157 C ILE A 10 4.829 16.471 5.274 1.00 0.00 C ATOM 158 O ILE A 10 5.385 17.450 4.833 1.00 0.00 O ATOM 159 CB ILE A 10 3.329 14.923 3.940 1.00 0.00 C ATOM 160 CG1 ILE A 10 3.416 14.327 2.536 1.00 0.00 C ATOM 161 CG2 ILE A 10 2.539 16.235 3.870 1.00 0.00 C ATOM 162 CD1 ILE A 10 4.098 12.958 2.596 1.00 0.00 C ATOM 0 H ILE A 10 4.124 13.714 5.910 1.00 0.00 H new ATOM 0 HA ILE A 10 5.462 15.208 3.677 1.00 0.00 H new ATOM 0 HB ILE A 10 2.819 14.229 4.608 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.417 14.228 2.110 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.977 14.995 1.882 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.542 16.039 3.474 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.455 16.663 4.869 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.057 16.937 3.217 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.158 12.537 1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.103 13.070 3.003 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.520 12.291 3.235 1.00 0.00 H new ATOM 174 N ALA A 11 4.320 16.466 6.467 1.00 0.00 N ATOM 175 CA ALA A 11 4.413 17.692 7.294 1.00 0.00 C ATOM 176 C ALA A 11 5.894 18.020 7.519 1.00 0.00 C ATOM 177 O ALA A 11 6.250 19.117 7.900 1.00 0.00 O ATOM 178 CB ALA A 11 3.715 17.334 8.603 1.00 0.00 C ATOM 0 H ALA A 11 3.848 15.674 6.903 1.00 0.00 H new ATOM 0 HA ALA A 11 3.953 18.567 6.834 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.740 18.192 9.275 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.679 17.062 8.400 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.227 16.493 9.070 1.00 0.00 H new ATOM 184 N GLN A 12 6.759 17.067 7.262 1.00 0.00 N ATOM 185 CA GLN A 12 8.216 17.304 7.428 1.00 0.00 C ATOM 186 C GLN A 12 8.885 17.312 6.053 1.00 0.00 C ATOM 187 O GLN A 12 9.682 18.180 5.754 1.00 0.00 O ATOM 188 CB GLN A 12 8.714 16.137 8.289 1.00 0.00 C ATOM 189 CG GLN A 12 10.244 16.118 8.322 1.00 0.00 C ATOM 190 CD GLN A 12 10.761 17.396 8.987 1.00 0.00 C ATOM 191 OE1 GLN A 12 10.197 17.859 9.958 1.00 0.00 O ATOM 192 NE2 GLN A 12 11.819 17.987 8.502 1.00 0.00 N ATOM 0 H GLN A 12 6.509 16.131 6.942 1.00 0.00 H new ATOM 0 HA GLN A 12 8.444 18.261 7.898 1.00 0.00 H new ATOM 0 HB2 GLN A 12 8.323 16.230 9.302 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.340 15.195 7.888 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.595 15.244 8.870 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.638 16.038 7.309 1.00 0.00 H new ATOM 0 HE21 GLN A 12 12.292 17.597 7.687 1.00 0.00 H new ATOM 0 HE22 GLN A 12 12.173 18.838 8.938 1.00 0.00 H new ATOM 201 N ASP A 13 8.536 16.386 5.191 1.00 0.00 N ATOM 202 CA ASP A 13 9.132 16.410 3.822 1.00 0.00 C ATOM 203 C ASP A 13 8.693 17.712 3.178 1.00 0.00 C ATOM 204 O ASP A 13 9.378 18.307 2.371 1.00 0.00 O ATOM 205 CB ASP A 13 8.521 15.225 3.076 1.00 0.00 C ATOM 206 CG ASP A 13 9.247 13.938 3.473 1.00 0.00 C ATOM 207 OD1 ASP A 13 10.450 13.996 3.670 1.00 0.00 O ATOM 208 OD2 ASP A 13 8.586 12.918 3.574 1.00 0.00 O ATOM 0 H ASP A 13 7.877 15.629 5.373 1.00 0.00 H new ATOM 0 HA ASP A 13 10.220 16.344 3.818 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.460 15.143 3.311 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.598 15.381 2.000 1.00 0.00 H new ATOM 213 N THR A 14 7.535 18.150 3.572 1.00 0.00 N ATOM 214 CA THR A 14 6.970 19.411 3.061 1.00 0.00 C ATOM 215 C THR A 14 7.103 20.470 4.156 1.00 0.00 C ATOM 216 O THR A 14 7.908 21.376 4.062 1.00 0.00 O ATOM 217 CB THR A 14 5.505 19.072 2.782 1.00 0.00 C ATOM 218 OG1 THR A 14 5.307 17.668 2.879 1.00 0.00 O ATOM 219 CG2 THR A 14 5.153 19.500 1.381 1.00 0.00 C ATOM 0 H THR A 14 6.943 17.667 4.248 1.00 0.00 H new ATOM 0 HA THR A 14 7.463 19.800 2.170 1.00 0.00 H new ATOM 0 HB THR A 14 4.879 19.588 3.509 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.418 17.386 3.811 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.109 19.260 1.179 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.304 20.575 1.280 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.791 18.975 0.669 1.00 0.00 H new ATOM 227 N GLY A 15 6.336 20.343 5.212 1.00 0.00 N ATOM 228 CA GLY A 15 6.433 21.322 6.339 1.00 0.00 C ATOM 229 C GLY A 15 6.387 22.755 5.810 1.00 0.00 C ATOM 230 O GLY A 15 6.890 23.672 6.431 1.00 0.00 O ATOM 0 H GLY A 15 5.646 19.603 5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.614 21.161 7.040 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.360 21.161 6.889 1.00 0.00 H new ATOM 234 N LEU A 16 5.769 22.956 4.684 1.00 0.00 N ATOM 235 CA LEU A 16 5.673 24.354 4.133 1.00 0.00 C ATOM 236 C LEU A 16 4.442 25.033 4.714 1.00 0.00 C ATOM 237 O LEU A 16 4.375 26.240 4.837 1.00 0.00 O ATOM 238 CB LEU A 16 5.558 24.302 2.593 1.00 0.00 C ATOM 239 CG LEU A 16 5.431 22.874 2.107 1.00 0.00 C ATOM 240 CD1 LEU A 16 4.008 22.378 2.375 1.00 0.00 C ATOM 241 CD2 LEU A 16 5.714 22.803 0.601 1.00 0.00 C ATOM 0 H LEU A 16 5.328 22.230 4.119 1.00 0.00 H new ATOM 0 HA LEU A 16 6.567 24.916 4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.691 24.878 2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.436 24.766 2.143 1.00 0.00 H new ATOM 0 HG LEU A 16 6.151 22.250 2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.910 21.350 2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.803 22.420 3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.296 23.010 1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.620 21.772 0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.998 23.428 0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.725 23.159 0.404 1.00 0.00 H new ATOM 253 N THR A 17 3.464 24.251 5.059 1.00 0.00 N ATOM 254 CA THR A 17 2.214 24.809 5.624 1.00 0.00 C ATOM 255 C THR A 17 1.458 23.728 6.404 1.00 0.00 C ATOM 256 O THR A 17 0.448 24.001 7.024 1.00 0.00 O ATOM 257 CB THR A 17 1.421 25.260 4.384 1.00 0.00 C ATOM 258 OG1 THR A 17 0.981 26.599 4.565 1.00 0.00 O ATOM 259 CG2 THR A 17 0.210 24.354 4.155 1.00 0.00 C ATOM 0 H THR A 17 3.479 23.235 4.972 1.00 0.00 H new ATOM 0 HA THR A 17 2.384 25.626 6.326 1.00 0.00 H new ATOM 0 HB THR A 17 2.073 25.197 3.513 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.348 26.834 3.855 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.335 24.691 3.274 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.546 23.328 4.003 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.445 24.396 5.025 1.00 0.00 H new ATOM 267 N GLN A 18 1.900 22.492 6.341 1.00 0.00 N ATOM 268 CA GLN A 18 1.145 21.410 7.034 1.00 0.00 C ATOM 269 C GLN A 18 -0.265 21.425 6.458 1.00 0.00 C ATOM 270 O GLN A 18 -1.233 21.134 7.131 1.00 0.00 O ATOM 271 CB GLN A 18 1.141 21.773 8.524 1.00 0.00 C ATOM 272 CG GLN A 18 2.535 22.246 8.935 1.00 0.00 C ATOM 273 CD GLN A 18 2.722 22.048 10.441 1.00 0.00 C ATOM 274 OE1 GLN A 18 3.767 21.614 10.883 1.00 0.00 O ATOM 275 NE2 GLN A 18 1.746 22.349 11.253 1.00 0.00 N ATOM 0 H GLN A 18 2.740 22.193 5.845 1.00 0.00 H new ATOM 0 HA GLN A 18 1.575 20.417 6.903 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.408 22.556 8.717 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.848 20.908 9.119 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.295 21.688 8.388 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.664 23.297 8.678 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.868 22.713 10.882 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.861 22.220 12.258 1.00 0.00 H new ATOM 284 N VAL A 19 -0.354 21.806 5.197 1.00 0.00 N ATOM 285 CA VAL A 19 -1.667 21.912 4.477 1.00 0.00 C ATOM 286 C VAL A 19 -2.801 21.408 5.359 1.00 0.00 C ATOM 287 O VAL A 19 -3.357 22.141 6.154 1.00 0.00 O ATOM 288 CB VAL A 19 -1.491 21.078 3.179 1.00 0.00 C ATOM 289 CG1 VAL A 19 -0.790 19.743 3.469 1.00 0.00 C ATOM 290 CG2 VAL A 19 -2.840 20.790 2.505 1.00 0.00 C ATOM 0 H VAL A 19 0.454 22.054 4.625 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.933 22.940 4.233 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.876 21.675 2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.681 19.181 2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.195 19.934 3.896 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.386 19.165 4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.677 20.205 1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.477 20.230 3.190 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.325 21.731 2.246 1.00 0.00 H new ATOM 300 N SER A 20 -3.112 20.170 5.255 1.00 0.00 N ATOM 301 CA SER A 20 -4.153 19.580 6.082 1.00 0.00 C ATOM 302 C SER A 20 -3.597 18.295 6.644 1.00 0.00 C ATOM 303 O SER A 20 -4.343 17.416 6.970 1.00 0.00 O ATOM 304 CB SER A 20 -5.330 19.321 5.145 1.00 0.00 C ATOM 305 OG SER A 20 -6.365 20.257 5.421 1.00 0.00 O ATOM 0 H SER A 20 -2.668 19.521 4.605 1.00 0.00 H new ATOM 0 HA SER A 20 -4.474 20.211 6.911 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.010 19.411 4.107 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.699 18.304 5.278 1.00 0.00 H new ATOM 0 HG SER A 20 -7.146 20.055 4.864 1.00 0.00 H new ATOM 311 N VAL A 21 -2.290 18.152 6.728 1.00 0.00 N ATOM 312 CA VAL A 21 -1.693 16.887 7.253 1.00 0.00 C ATOM 313 C VAL A 21 -2.736 16.132 8.051 1.00 0.00 C ATOM 314 O VAL A 21 -2.880 14.933 7.958 1.00 0.00 O ATOM 315 CB VAL A 21 -0.539 17.324 8.156 1.00 0.00 C ATOM 316 CG1 VAL A 21 0.586 17.910 7.301 1.00 0.00 C ATOM 317 CG2 VAL A 21 -1.022 18.381 9.157 1.00 0.00 C ATOM 0 H VAL A 21 -1.613 18.864 6.453 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.346 16.228 6.457 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.170 16.457 8.704 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.408 18.221 7.945 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.941 17.155 6.599 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.212 18.772 6.748 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.192 18.685 9.795 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.400 19.248 8.616 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.818 17.962 9.773 1.00 0.00 H new ATOM 327 N SER A 22 -3.510 16.865 8.780 1.00 0.00 N ATOM 328 CA SER A 22 -4.608 16.235 9.567 1.00 0.00 C ATOM 329 C SER A 22 -5.786 15.933 8.643 1.00 0.00 C ATOM 330 O SER A 22 -6.414 14.899 8.737 1.00 0.00 O ATOM 331 CB SER A 22 -4.991 17.264 10.629 1.00 0.00 C ATOM 332 OG SER A 22 -6.284 16.959 11.135 1.00 0.00 O ATOM 0 H SER A 22 -3.436 17.878 8.871 1.00 0.00 H new ATOM 0 HA SER A 22 -4.309 15.293 10.026 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.261 17.257 11.438 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.983 18.266 10.200 1.00 0.00 H new ATOM 0 HG SER A 22 -6.532 17.617 11.818 1.00 0.00 H new ATOM 338 N LYS A 23 -6.065 16.822 7.729 1.00 0.00 N ATOM 339 CA LYS A 23 -7.171 16.591 6.769 1.00 0.00 C ATOM 340 C LYS A 23 -6.612 15.978 5.481 1.00 0.00 C ATOM 341 O LYS A 23 -7.288 15.238 4.801 1.00 0.00 O ATOM 342 CB LYS A 23 -7.763 17.972 6.504 1.00 0.00 C ATOM 343 CG LYS A 23 -8.989 18.192 7.392 1.00 0.00 C ATOM 344 CD LYS A 23 -9.584 19.578 7.116 1.00 0.00 C ATOM 345 CE LYS A 23 -8.490 20.646 7.233 1.00 0.00 C ATOM 346 NZ LYS A 23 -9.101 21.741 8.036 1.00 0.00 N ATOM 0 H LYS A 23 -5.567 17.704 7.609 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.924 15.902 7.151 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.017 18.741 6.702 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.043 18.062 5.454 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.734 17.420 7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.709 18.108 8.442 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.024 19.603 6.119 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.386 19.787 7.824 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.601 20.248 7.722 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.181 21.003 6.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.410 22.509 8.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.941 22.106 7.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.379 21.374 8.969 1.00 0.00 H new ATOM 360 N MET A 24 -5.370 16.259 5.149 1.00 0.00 N ATOM 361 CA MET A 24 -4.773 15.688 3.949 1.00 0.00 C ATOM 362 C MET A 24 -4.726 14.171 4.118 1.00 0.00 C ATOM 363 O MET A 24 -5.057 13.432 3.211 1.00 0.00 O ATOM 364 CB MET A 24 -3.397 16.344 3.945 1.00 0.00 C ATOM 365 CG MET A 24 -2.672 16.057 2.651 1.00 0.00 C ATOM 366 SD MET A 24 -1.562 14.633 2.843 1.00 0.00 S ATOM 367 CE MET A 24 -1.356 14.722 4.641 1.00 0.00 C ATOM 0 H MET A 24 -4.755 16.872 5.684 1.00 0.00 H new ATOM 0 HA MET A 24 -5.300 15.860 3.011 1.00 0.00 H new ATOM 0 HB2 MET A 24 -3.502 17.421 4.078 1.00 0.00 H new ATOM 0 HB3 MET A 24 -2.810 15.975 4.786 1.00 0.00 H new ATOM 0 HG2 MET A 24 -3.394 15.858 1.860 1.00 0.00 H new ATOM 0 HG3 MET A 24 -2.099 16.933 2.347 1.00 0.00 H new ATOM 0 HE1 MET A 24 -0.565 14.039 4.951 1.00 0.00 H new ATOM 0 HE2 MET A 24 -1.090 15.740 4.927 1.00 0.00 H new ATOM 0 HE3 MET A 24 -2.289 14.441 5.129 1.00 0.00 H new ATOM 377 N LEU A 25 -4.361 13.690 5.287 1.00 0.00 N ATOM 378 CA LEU A 25 -4.358 12.221 5.486 1.00 0.00 C ATOM 379 C LEU A 25 -5.750 11.758 5.912 1.00 0.00 C ATOM 380 O LEU A 25 -6.298 10.849 5.331 1.00 0.00 O ATOM 381 CB LEU A 25 -3.317 11.948 6.565 1.00 0.00 C ATOM 382 CG LEU A 25 -1.897 11.971 5.966 1.00 0.00 C ATOM 383 CD1 LEU A 25 -1.076 10.813 6.544 1.00 0.00 C ATOM 384 CD2 LEU A 25 -1.925 11.821 4.436 1.00 0.00 C ATOM 0 H LEU A 25 -4.072 14.247 6.091 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.112 11.677 4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.397 12.697 7.353 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.508 10.979 7.025 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.450 12.932 6.220 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.072 10.831 6.119 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.013 10.916 7.627 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.558 9.867 6.297 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.906 11.842 4.050 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.394 10.873 4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.495 12.642 4.000 1.00 0.00 H new ATOM 396 N ALA A 26 -6.356 12.385 6.887 1.00 0.00 N ATOM 397 CA ALA A 26 -7.736 11.956 7.273 1.00 0.00 C ATOM 398 C ALA A 26 -8.564 11.804 5.993 1.00 0.00 C ATOM 399 O ALA A 26 -9.326 10.863 5.821 1.00 0.00 O ATOM 400 CB ALA A 26 -8.289 13.083 8.144 1.00 0.00 C ATOM 0 H ALA A 26 -5.966 13.160 7.424 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.757 11.008 7.810 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.301 12.833 8.463 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.654 13.211 9.020 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.307 14.010 7.571 1.00 0.00 H new ATOM 406 N SER A 27 -8.371 12.705 5.066 1.00 0.00 N ATOM 407 CA SER A 27 -9.097 12.605 3.779 1.00 0.00 C ATOM 408 C SER A 27 -8.413 11.552 2.914 1.00 0.00 C ATOM 409 O SER A 27 -9.042 10.884 2.127 1.00 0.00 O ATOM 410 CB SER A 27 -8.988 13.983 3.139 1.00 0.00 C ATOM 411 OG SER A 27 -9.589 14.948 3.993 1.00 0.00 O ATOM 0 H SER A 27 -7.741 13.503 5.150 1.00 0.00 H new ATOM 0 HA SER A 27 -10.140 12.314 3.901 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.942 14.235 2.967 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.480 13.985 2.167 1.00 0.00 H new ATOM 0 HG SER A 27 -8.896 15.387 4.529 1.00 0.00 H new ATOM 417 N PHE A 28 -7.125 11.389 3.075 1.00 0.00 N ATOM 418 CA PHE A 28 -6.392 10.364 2.279 1.00 0.00 C ATOM 419 C PHE A 28 -7.056 9.002 2.469 1.00 0.00 C ATOM 420 O PHE A 28 -7.344 8.316 1.518 1.00 0.00 O ATOM 421 CB PHE A 28 -4.975 10.382 2.841 1.00 0.00 C ATOM 422 CG PHE A 28 -4.155 9.246 2.286 1.00 0.00 C ATOM 423 CD1 PHE A 28 -4.350 7.941 2.749 1.00 0.00 C ATOM 424 CD2 PHE A 28 -3.174 9.507 1.333 1.00 0.00 C ATOM 425 CE1 PHE A 28 -3.562 6.903 2.253 1.00 0.00 C ATOM 426 CE2 PHE A 28 -2.383 8.468 0.840 1.00 0.00 C ATOM 427 CZ PHE A 28 -2.576 7.165 1.299 1.00 0.00 C ATOM 0 H PHE A 28 -6.549 11.924 3.725 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.395 10.565 1.208 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.497 11.331 2.599 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.011 10.311 3.928 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.109 7.737 3.489 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.025 10.515 0.975 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.714 5.894 2.607 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.621 8.673 0.103 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.964 6.361 0.918 1.00 0.00 H new ATOM 437 N GLU A 29 -7.352 8.607 3.672 1.00 0.00 N ATOM 438 CA GLU A 29 -8.043 7.301 3.816 1.00 0.00 C ATOM 439 C GLU A 29 -9.437 7.468 3.250 1.00 0.00 C ATOM 440 O GLU A 29 -9.992 6.572 2.648 1.00 0.00 O ATOM 441 CB GLU A 29 -8.124 6.956 5.296 1.00 0.00 C ATOM 442 CG GLU A 29 -8.675 5.542 5.405 1.00 0.00 C ATOM 443 CD GLU A 29 -9.301 5.331 6.785 1.00 0.00 C ATOM 444 OE1 GLU A 29 -8.696 5.750 7.758 1.00 0.00 O ATOM 445 OE2 GLU A 29 -10.374 4.754 6.844 1.00 0.00 O ATOM 0 H GLU A 29 -7.154 9.112 4.536 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.513 6.505 3.293 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.140 7.021 5.759 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.770 7.661 5.819 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.421 5.372 4.628 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.876 4.818 5.244 1.00 0.00 H new ATOM 452 N LYS A 30 -9.994 8.637 3.418 1.00 0.00 N ATOM 453 CA LYS A 30 -11.340 8.885 2.862 1.00 0.00 C ATOM 454 C LYS A 30 -11.245 8.920 1.341 1.00 0.00 C ATOM 455 O LYS A 30 -12.218 8.687 0.659 1.00 0.00 O ATOM 456 CB LYS A 30 -11.766 10.248 3.404 1.00 0.00 C ATOM 457 CG LYS A 30 -13.188 10.554 2.933 1.00 0.00 C ATOM 458 CD LYS A 30 -13.697 11.819 3.630 1.00 0.00 C ATOM 459 CE LYS A 30 -15.193 11.677 3.924 1.00 0.00 C ATOM 460 NZ LYS A 30 -15.271 11.346 5.374 1.00 0.00 N ATOM 0 H LYS A 30 -9.572 9.422 3.914 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.058 8.112 3.138 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.723 10.249 4.493 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.081 11.021 3.057 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.203 10.691 1.852 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.845 9.714 3.157 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.148 11.981 4.557 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.521 12.690 2.999 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.729 12.600 3.700 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.642 10.892 3.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.267 11.233 5.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.758 10.460 5.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.842 12.114 5.929 1.00 0.00 H new ATOM 474 N ILE A 31 -10.073 9.191 0.798 1.00 0.00 N ATOM 475 CA ILE A 31 -9.946 9.223 -0.678 1.00 0.00 C ATOM 476 C ILE A 31 -9.450 7.873 -1.179 1.00 0.00 C ATOM 477 O ILE A 31 -9.919 7.345 -2.163 1.00 0.00 O ATOM 478 CB ILE A 31 -8.971 10.348 -1.031 1.00 0.00 C ATOM 479 CG1 ILE A 31 -7.562 10.040 -0.549 1.00 0.00 C ATOM 480 CG2 ILE A 31 -9.451 11.668 -0.430 1.00 0.00 C ATOM 481 CD1 ILE A 31 -6.784 9.334 -1.663 1.00 0.00 C ATOM 0 H ILE A 31 -9.217 9.387 1.317 1.00 0.00 H new ATOM 0 HA ILE A 31 -10.907 9.412 -1.156 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.942 10.433 -2.117 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -7.054 10.961 -0.264 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.600 9.409 0.339 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.749 12.461 -0.688 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -10.436 11.912 -0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -9.510 11.574 0.654 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.774 9.113 -1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.289 8.405 -1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.735 9.981 -2.539 1.00 0.00 H new ATOM 493 N ILE A 32 -8.529 7.291 -0.479 1.00 0.00 N ATOM 494 CA ILE A 32 -8.031 5.942 -0.881 1.00 0.00 C ATOM 495 C ILE A 32 -9.240 5.063 -1.087 1.00 0.00 C ATOM 496 O ILE A 32 -9.409 4.427 -2.109 1.00 0.00 O ATOM 497 CB ILE A 32 -7.214 5.426 0.299 1.00 0.00 C ATOM 498 CG1 ILE A 32 -5.963 6.299 0.474 1.00 0.00 C ATOM 499 CG2 ILE A 32 -6.819 3.960 0.051 1.00 0.00 C ATOM 500 CD1 ILE A 32 -4.852 5.857 -0.481 1.00 0.00 C ATOM 0 H ILE A 32 -8.094 7.685 0.356 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.430 5.959 -1.790 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.809 5.477 1.211 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.214 7.343 0.288 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.610 6.235 1.503 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.235 3.593 0.895 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.719 3.354 -0.059 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.223 3.893 -0.859 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.976 6.490 -0.338 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.587 4.820 -0.276 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.200 5.946 -1.510 1.00 0.00 H new ATOM 512 N THR A 33 -10.107 5.061 -0.119 1.00 0.00 N ATOM 513 CA THR A 33 -11.338 4.268 -0.249 1.00 0.00 C ATOM 514 C THR A 33 -12.198 4.922 -1.304 1.00 0.00 C ATOM 515 O THR A 33 -12.844 4.277 -2.106 1.00 0.00 O ATOM 516 CB THR A 33 -12.039 4.355 1.097 1.00 0.00 C ATOM 517 OG1 THR A 33 -11.988 5.693 1.573 1.00 0.00 O ATOM 518 CG2 THR A 33 -11.345 3.437 2.077 1.00 0.00 C ATOM 0 H THR A 33 -10.010 5.577 0.755 1.00 0.00 H new ATOM 0 HA THR A 33 -11.144 3.232 -0.526 1.00 0.00 H new ATOM 0 HB THR A 33 -13.081 4.053 0.990 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.304 5.766 2.271 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.843 3.495 3.045 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.387 2.412 1.708 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.304 3.741 2.186 1.00 0.00 H new ATOM 526 N GLU A 34 -12.212 6.224 -1.283 1.00 0.00 N ATOM 527 CA GLU A 34 -13.032 6.970 -2.254 1.00 0.00 C ATOM 528 C GLU A 34 -12.653 6.589 -3.688 1.00 0.00 C ATOM 529 O GLU A 34 -13.491 6.580 -4.561 1.00 0.00 O ATOM 530 CB GLU A 34 -12.752 8.456 -1.951 1.00 0.00 C ATOM 531 CG GLU A 34 -11.758 9.071 -2.951 1.00 0.00 C ATOM 532 CD GLU A 34 -12.477 9.425 -4.257 1.00 0.00 C ATOM 533 OE1 GLU A 34 -13.525 10.043 -4.184 1.00 0.00 O ATOM 534 OE2 GLU A 34 -11.964 9.069 -5.306 1.00 0.00 O ATOM 0 H GLU A 34 -11.684 6.801 -0.628 1.00 0.00 H new ATOM 0 HA GLU A 34 -14.095 6.745 -2.167 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -13.688 9.014 -1.980 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.355 8.551 -0.940 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.305 9.965 -2.522 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.949 8.368 -3.151 1.00 0.00 H new ATOM 541 N THR A 35 -11.405 6.276 -3.942 1.00 0.00 N ATOM 542 CA THR A 35 -11.021 5.903 -5.336 1.00 0.00 C ATOM 543 C THR A 35 -11.279 4.430 -5.575 1.00 0.00 C ATOM 544 O THR A 35 -11.989 4.072 -6.491 1.00 0.00 O ATOM 545 CB THR A 35 -9.529 6.211 -5.476 1.00 0.00 C ATOM 546 OG1 THR A 35 -9.351 7.603 -5.698 1.00 0.00 O ATOM 547 CG2 THR A 35 -8.962 5.420 -6.663 1.00 0.00 C ATOM 0 H THR A 35 -10.649 6.263 -3.257 1.00 0.00 H new ATOM 0 HA THR A 35 -11.606 6.460 -6.067 1.00 0.00 H new ATOM 0 HB THR A 35 -9.006 5.925 -4.564 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.201 8.069 -5.554 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.899 5.635 -6.769 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.101 4.353 -6.489 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.483 5.710 -7.575 1.00 0.00 H new ATOM 555 N VAL A 36 -10.719 3.565 -4.781 1.00 0.00 N ATOM 556 CA VAL A 36 -10.982 2.121 -5.014 1.00 0.00 C ATOM 557 C VAL A 36 -12.489 1.913 -5.039 1.00 0.00 C ATOM 558 O VAL A 36 -13.014 1.182 -5.857 1.00 0.00 O ATOM 559 CB VAL A 36 -10.346 1.393 -3.842 1.00 0.00 C ATOM 560 CG1 VAL A 36 -10.634 -0.104 -3.954 1.00 0.00 C ATOM 561 CG2 VAL A 36 -8.839 1.637 -3.869 1.00 0.00 C ATOM 0 H VAL A 36 -10.104 3.787 -3.998 1.00 0.00 H new ATOM 0 HA VAL A 36 -10.574 1.754 -5.956 1.00 0.00 H new ATOM 0 HB VAL A 36 -10.759 1.763 -2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -10.178 -0.626 -3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -11.711 -0.269 -3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -10.219 -0.486 -4.887 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.371 1.119 -3.032 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -8.426 1.260 -4.805 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -8.642 2.706 -3.790 1.00 0.00 H new ATOM 571 N ALA A 37 -13.196 2.591 -4.173 1.00 0.00 N ATOM 572 CA ALA A 37 -14.672 2.462 -4.189 1.00 0.00 C ATOM 573 C ALA A 37 -15.234 3.299 -5.344 1.00 0.00 C ATOM 574 O ALA A 37 -16.416 3.264 -5.623 1.00 0.00 O ATOM 575 CB ALA A 37 -15.167 2.964 -2.838 1.00 0.00 C ATOM 0 H ALA A 37 -12.816 3.220 -3.466 1.00 0.00 H new ATOM 0 HA ALA A 37 -14.998 1.433 -4.343 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -16.254 2.890 -2.798 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.733 2.358 -2.043 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -14.869 4.004 -2.705 1.00 0.00 H new ATOM 581 N LYS A 38 -14.391 4.015 -6.053 1.00 0.00 N ATOM 582 CA LYS A 38 -14.891 4.794 -7.223 1.00 0.00 C ATOM 583 C LYS A 38 -14.509 4.038 -8.482 1.00 0.00 C ATOM 584 O LYS A 38 -15.169 4.118 -9.500 1.00 0.00 O ATOM 585 CB LYS A 38 -14.194 6.154 -7.168 1.00 0.00 C ATOM 586 CG LYS A 38 -15.206 7.244 -6.786 1.00 0.00 C ATOM 587 CD LYS A 38 -15.996 6.820 -5.539 1.00 0.00 C ATOM 588 CE LYS A 38 -15.989 7.955 -4.511 1.00 0.00 C ATOM 589 NZ LYS A 38 -17.351 8.550 -4.587 1.00 0.00 N ATOM 0 H LYS A 38 -13.390 4.091 -5.872 1.00 0.00 H new ATOM 0 HA LYS A 38 -15.972 4.930 -7.213 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.383 6.128 -6.441 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.747 6.383 -8.136 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.686 8.182 -6.594 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.890 7.422 -7.616 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -17.021 6.572 -5.814 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.556 5.922 -5.106 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.777 7.580 -3.510 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.222 8.694 -4.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -17.425 9.336 -3.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -17.522 8.905 -5.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.060 7.825 -4.354 1.00 0.00 H new ATOM 603 N GLY A 39 -13.459 3.275 -8.401 1.00 0.00 N ATOM 604 CA GLY A 39 -13.037 2.477 -9.562 1.00 0.00 C ATOM 605 C GLY A 39 -11.773 3.062 -10.181 1.00 0.00 C ATOM 606 O GLY A 39 -11.650 3.153 -11.387 1.00 0.00 O ATOM 0 H GLY A 39 -12.876 3.175 -7.570 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.856 1.447 -9.256 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.835 2.454 -10.304 1.00 0.00 H new ATOM 610 N ASP A 40 -10.823 3.448 -9.374 1.00 0.00 N ATOM 611 CA ASP A 40 -9.564 4.010 -9.948 1.00 0.00 C ATOM 612 C ASP A 40 -8.351 3.298 -9.345 1.00 0.00 C ATOM 613 O ASP A 40 -8.324 2.978 -8.173 1.00 0.00 O ATOM 614 CB ASP A 40 -9.572 5.498 -9.587 1.00 0.00 C ATOM 615 CG ASP A 40 -9.725 6.333 -10.861 1.00 0.00 C ATOM 616 OD1 ASP A 40 -10.737 6.183 -11.525 1.00 0.00 O ATOM 617 OD2 ASP A 40 -8.829 7.108 -11.148 1.00 0.00 O ATOM 0 H ASP A 40 -10.860 3.401 -8.356 1.00 0.00 H new ATOM 0 HA ASP A 40 -9.505 3.871 -11.028 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.390 5.712 -8.899 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.647 5.764 -9.075 1.00 0.00 H new ATOM 622 N LYS A 41 -7.354 3.039 -10.147 1.00 0.00 N ATOM 623 CA LYS A 41 -6.143 2.335 -9.640 1.00 0.00 C ATOM 624 C LYS A 41 -5.134 3.338 -9.083 1.00 0.00 C ATOM 625 O LYS A 41 -4.268 3.817 -9.788 1.00 0.00 O ATOM 626 CB LYS A 41 -5.563 1.618 -10.861 1.00 0.00 C ATOM 627 CG LYS A 41 -6.591 0.628 -11.412 1.00 0.00 C ATOM 628 CD LYS A 41 -6.157 0.164 -12.804 1.00 0.00 C ATOM 629 CE LYS A 41 -5.045 -0.878 -12.671 1.00 0.00 C ATOM 630 NZ LYS A 41 -4.705 -1.259 -14.070 1.00 0.00 N ATOM 0 H LYS A 41 -7.327 3.286 -11.136 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.380 1.644 -8.831 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.295 2.344 -11.628 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.648 1.093 -10.586 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.682 -0.228 -10.744 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.573 1.098 -11.463 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.006 -0.261 -13.338 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.805 1.014 -13.389 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.179 -0.467 -12.152 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.380 -1.742 -12.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.948 -1.972 -14.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.547 -1.653 -14.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.383 -0.418 -14.590 1.00 0.00 H new ATOM 644 N VAL A 42 -5.239 3.651 -7.821 1.00 0.00 N ATOM 645 CA VAL A 42 -4.280 4.616 -7.201 1.00 0.00 C ATOM 646 C VAL A 42 -2.856 4.062 -7.283 1.00 0.00 C ATOM 647 O VAL A 42 -2.335 3.519 -6.329 1.00 0.00 O ATOM 648 CB VAL A 42 -4.728 4.754 -5.743 1.00 0.00 C ATOM 649 CG1 VAL A 42 -6.120 5.388 -5.691 1.00 0.00 C ATOM 650 CG2 VAL A 42 -4.768 3.373 -5.080 1.00 0.00 C ATOM 0 H VAL A 42 -5.948 3.281 -7.189 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.276 5.580 -7.709 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.021 5.389 -5.209 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.437 5.485 -4.653 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.088 6.374 -6.155 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.828 4.757 -6.229 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.087 3.476 -4.043 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.471 2.733 -5.614 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.775 2.926 -5.111 1.00 0.00 H new ATOM 660 N GLN A 43 -2.226 4.197 -8.418 1.00 0.00 N ATOM 661 CA GLN A 43 -0.842 3.685 -8.576 1.00 0.00 C ATOM 662 C GLN A 43 0.146 4.727 -8.050 1.00 0.00 C ATOM 663 O GLN A 43 0.370 5.750 -8.669 1.00 0.00 O ATOM 664 CB GLN A 43 -0.692 3.469 -10.090 1.00 0.00 C ATOM 665 CG GLN A 43 0.719 3.837 -10.548 1.00 0.00 C ATOM 666 CD GLN A 43 1.049 3.105 -11.850 1.00 0.00 C ATOM 667 OE1 GLN A 43 0.180 2.529 -12.476 1.00 0.00 O ATOM 668 NE2 GLN A 43 2.278 3.103 -12.289 1.00 0.00 N ATOM 0 H GLN A 43 -2.617 4.644 -9.247 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.646 2.767 -8.022 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.900 2.428 -10.337 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.423 4.076 -10.624 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.793 4.914 -10.697 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.442 3.571 -9.777 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.008 3.586 -11.765 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.509 2.619 -13.156 1.00 0.00 H new ATOM 677 N LEU A 44 0.744 4.479 -6.920 1.00 0.00 N ATOM 678 CA LEU A 44 1.715 5.464 -6.374 1.00 0.00 C ATOM 679 C LEU A 44 2.878 5.618 -7.353 1.00 0.00 C ATOM 680 O LEU A 44 3.625 4.689 -7.583 1.00 0.00 O ATOM 681 CB LEU A 44 2.208 4.881 -5.051 1.00 0.00 C ATOM 682 CG LEU A 44 1.025 4.541 -4.136 1.00 0.00 C ATOM 683 CD1 LEU A 44 1.539 3.885 -2.847 1.00 0.00 C ATOM 684 CD2 LEU A 44 0.284 5.829 -3.788 1.00 0.00 C ATOM 0 H LEU A 44 0.604 3.642 -6.354 1.00 0.00 H new ATOM 0 HA LEU A 44 1.266 6.446 -6.226 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.798 3.984 -5.240 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.865 5.596 -4.555 1.00 0.00 H new ATOM 0 HG LEU A 44 0.353 3.850 -4.646 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.696 3.645 -2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.078 2.971 -3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.208 4.573 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.560 5.599 -3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.962 6.512 -3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.080 6.298 -4.702 1.00 0.00 H new ATOM 696 N THR A 45 3.026 6.784 -7.932 1.00 0.00 N ATOM 697 CA THR A 45 4.134 7.031 -8.916 1.00 0.00 C ATOM 698 C THR A 45 4.459 5.759 -9.722 1.00 0.00 C ATOM 699 O THR A 45 3.794 5.457 -10.695 1.00 0.00 O ATOM 700 CB THR A 45 5.341 7.505 -8.087 1.00 0.00 C ATOM 701 OG1 THR A 45 6.534 7.287 -8.826 1.00 0.00 O ATOM 702 CG2 THR A 45 5.422 6.749 -6.757 1.00 0.00 C ATOM 0 H THR A 45 2.420 7.587 -7.765 1.00 0.00 H new ATOM 0 HA THR A 45 3.850 7.782 -9.654 1.00 0.00 H new ATOM 0 HB THR A 45 5.220 8.567 -7.875 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.304 7.590 -8.301 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.283 7.102 -6.190 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.512 6.925 -6.183 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.528 5.682 -6.951 1.00 0.00 H new ATOM 710 N GLY A 46 5.465 5.011 -9.339 1.00 0.00 N ATOM 711 CA GLY A 46 5.800 3.777 -10.102 1.00 0.00 C ATOM 712 C GLY A 46 6.288 2.679 -9.153 1.00 0.00 C ATOM 713 O GLY A 46 7.055 1.820 -9.542 1.00 0.00 O ATOM 0 H GLY A 46 6.063 5.203 -8.535 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.923 3.431 -10.649 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.570 3.997 -10.841 1.00 0.00 H new ATOM 717 N PHE A 47 5.849 2.681 -7.915 1.00 0.00 N ATOM 718 CA PHE A 47 6.301 1.614 -6.979 1.00 0.00 C ATOM 719 C PHE A 47 5.091 0.907 -6.342 1.00 0.00 C ATOM 720 O PHE A 47 5.143 -0.267 -6.044 1.00 0.00 O ATOM 721 CB PHE A 47 7.226 2.313 -5.958 1.00 0.00 C ATOM 722 CG PHE A 47 6.459 2.910 -4.800 1.00 0.00 C ATOM 723 CD1 PHE A 47 5.651 4.026 -5.009 1.00 0.00 C ATOM 724 CD2 PHE A 47 6.582 2.372 -3.512 1.00 0.00 C ATOM 725 CE1 PHE A 47 4.964 4.604 -3.946 1.00 0.00 C ATOM 726 CE2 PHE A 47 5.894 2.954 -2.448 1.00 0.00 C ATOM 727 CZ PHE A 47 5.084 4.073 -2.668 1.00 0.00 C ATOM 0 H PHE A 47 5.206 3.368 -7.521 1.00 0.00 H new ATOM 0 HA PHE A 47 6.852 0.818 -7.480 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.952 1.594 -5.578 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.789 3.099 -6.461 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.558 4.444 -6.000 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.208 1.508 -3.344 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.337 5.467 -4.115 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.986 2.541 -1.454 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.552 4.524 -1.844 1.00 0.00 H new ATOM 737 N LEU A 48 3.987 1.579 -6.172 1.00 0.00 N ATOM 738 CA LEU A 48 2.800 0.878 -5.598 1.00 0.00 C ATOM 739 C LEU A 48 1.604 0.995 -6.537 1.00 0.00 C ATOM 740 O LEU A 48 0.847 1.944 -6.492 1.00 0.00 O ATOM 741 CB LEU A 48 2.520 1.546 -4.261 1.00 0.00 C ATOM 742 CG LEU A 48 3.423 0.946 -3.180 1.00 0.00 C ATOM 743 CD1 LEU A 48 2.966 1.432 -1.807 1.00 0.00 C ATOM 744 CD2 LEU A 48 3.355 -0.587 -3.217 1.00 0.00 C ATOM 0 H LEU A 48 3.853 2.564 -6.400 1.00 0.00 H new ATOM 0 HA LEU A 48 2.988 -0.188 -5.467 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.693 2.619 -4.337 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.473 1.411 -3.989 1.00 0.00 H new ATOM 0 HG LEU A 48 4.449 1.263 -3.366 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.609 1.005 -1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.026 2.520 -1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.936 1.119 -1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.002 -0.999 -2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.329 -0.910 -3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.686 -0.942 -4.193 1.00 0.00 H new ATOM 756 N ASN A 49 1.438 0.021 -7.387 1.00 0.00 N ATOM 757 CA ASN A 49 0.298 0.038 -8.347 1.00 0.00 C ATOM 758 C ASN A 49 -0.942 -0.582 -7.700 1.00 0.00 C ATOM 759 O ASN A 49 -1.203 -1.761 -7.844 1.00 0.00 O ATOM 760 CB ASN A 49 0.766 -0.816 -9.523 1.00 0.00 C ATOM 761 CG ASN A 49 1.410 0.080 -10.582 1.00 0.00 C ATOM 762 OD1 ASN A 49 2.005 1.090 -10.260 1.00 0.00 O ATOM 763 ND2 ASN A 49 1.317 -0.248 -11.842 1.00 0.00 N ATOM 0 H ASN A 49 2.048 -0.793 -7.459 1.00 0.00 H new ATOM 0 HA ASN A 49 0.028 1.048 -8.654 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.481 -1.564 -9.181 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -0.078 -1.355 -9.953 1.00 0.00 H new ATOM 0 HD21 ASN A 49 1.743 0.343 -12.556 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.818 -1.095 -12.113 1.00 0.00 H new ATOM 770 N ILE A 50 -1.702 0.200 -6.986 1.00 0.00 N ATOM 771 CA ILE A 50 -2.922 -0.351 -6.325 1.00 0.00 C ATOM 772 C ILE A 50 -4.081 -0.392 -7.316 1.00 0.00 C ATOM 773 O ILE A 50 -4.299 0.530 -8.077 1.00 0.00 O ATOM 774 CB ILE A 50 -3.226 0.603 -5.159 1.00 0.00 C ATOM 775 CG1 ILE A 50 -2.299 0.291 -3.981 1.00 0.00 C ATOM 776 CG2 ILE A 50 -4.676 0.423 -4.701 1.00 0.00 C ATOM 777 CD1 ILE A 50 -0.849 0.280 -4.458 1.00 0.00 C ATOM 0 H ILE A 50 -1.534 1.194 -6.831 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.773 -1.371 -5.971 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.070 1.628 -5.496 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.428 1.036 -3.196 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.557 -0.676 -3.548 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.884 1.103 -3.874 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.349 0.643 -5.529 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -4.829 -0.605 -4.373 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.191 0.058 -3.618 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.725 -0.482 -5.227 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.594 1.256 -4.870 1.00 0.00 H new ATOM 789 N LYS A 51 -4.825 -1.457 -7.300 1.00 0.00 N ATOM 790 CA LYS A 51 -5.985 -1.571 -8.234 1.00 0.00 C ATOM 791 C LYS A 51 -7.058 -2.500 -7.647 1.00 0.00 C ATOM 792 O LYS A 51 -6.767 -3.610 -7.254 1.00 0.00 O ATOM 793 CB LYS A 51 -5.411 -2.151 -9.532 1.00 0.00 C ATOM 794 CG LYS A 51 -4.675 -3.461 -9.245 1.00 0.00 C ATOM 795 CD LYS A 51 -4.308 -4.140 -10.566 1.00 0.00 C ATOM 796 CE LYS A 51 -5.467 -5.031 -11.021 1.00 0.00 C ATOM 797 NZ LYS A 51 -5.123 -5.427 -12.415 1.00 0.00 N ATOM 0 H LYS A 51 -4.684 -2.256 -6.682 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.466 -0.608 -8.405 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.215 -2.326 -10.247 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.728 -1.434 -9.989 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.775 -3.265 -8.662 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.304 -4.121 -8.647 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.093 -3.389 -11.326 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.404 -4.736 -10.442 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.570 -5.904 -10.377 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.415 -4.494 -10.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.871 -6.040 -12.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.038 -4.576 -13.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.219 -5.942 -12.417 1.00 0.00 H new ATOM 811 N PRO A 52 -8.273 -2.012 -7.603 1.00 0.00 N ATOM 812 CA PRO A 52 -9.403 -2.812 -7.054 1.00 0.00 C ATOM 813 C PRO A 52 -9.702 -4.045 -7.915 1.00 0.00 C ATOM 814 O PRO A 52 -9.655 -4.004 -9.128 1.00 0.00 O ATOM 815 CB PRO A 52 -10.574 -1.832 -7.084 1.00 0.00 C ATOM 816 CG PRO A 52 -10.209 -0.846 -8.135 1.00 0.00 C ATOM 817 CD PRO A 52 -8.720 -0.687 -8.049 1.00 0.00 C ATOM 0 HA PRO A 52 -9.190 -3.204 -6.060 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.509 -2.339 -7.323 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.711 -1.348 -6.117 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.508 -1.198 -9.122 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -10.714 0.106 -7.970 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.286 -0.418 -9.012 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.437 0.093 -7.343 1.00 0.00 H new ATOM 825 N VAL A 53 -10.020 -5.140 -7.274 1.00 0.00 N ATOM 826 CA VAL A 53 -10.343 -6.401 -8.023 1.00 0.00 C ATOM 827 C VAL A 53 -11.389 -7.241 -7.274 1.00 0.00 C ATOM 828 O VAL A 53 -11.170 -7.677 -6.163 1.00 0.00 O ATOM 829 CB VAL A 53 -9.027 -7.160 -8.134 1.00 0.00 C ATOM 830 CG1 VAL A 53 -8.008 -6.311 -8.898 1.00 0.00 C ATOM 831 CG2 VAL A 53 -8.485 -7.467 -6.731 1.00 0.00 C ATOM 0 H VAL A 53 -10.071 -5.220 -6.258 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.770 -6.181 -9.002 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.197 -8.095 -8.668 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.067 -6.855 -8.977 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.388 -6.098 -9.897 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.842 -5.375 -8.365 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.544 -8.010 -6.815 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.319 -6.534 -6.193 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -9.207 -8.076 -6.187 1.00 0.00 H new ATOM 841 N ALA A 54 -12.534 -7.451 -7.874 1.00 0.00 N ATOM 842 CA ALA A 54 -13.621 -8.235 -7.191 1.00 0.00 C ATOM 843 C ALA A 54 -13.196 -9.680 -6.891 1.00 0.00 C ATOM 844 O ALA A 54 -12.692 -10.390 -7.738 1.00 0.00 O ATOM 845 CB ALA A 54 -14.838 -8.179 -8.130 1.00 0.00 C ATOM 0 H ALA A 54 -12.768 -7.115 -8.808 1.00 0.00 H new ATOM 0 HA ALA A 54 -13.854 -7.805 -6.217 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -15.665 -8.734 -7.687 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -15.135 -7.141 -8.279 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -14.577 -8.623 -9.091 1.00 0.00 H new ATOM 1164 N VAL A 75 -14.541 -6.577 -4.619 1.00 0.00 N ATOM 1165 CA VAL A 75 -13.317 -5.893 -5.093 1.00 0.00 C ATOM 1166 C VAL A 75 -12.286 -5.837 -3.974 1.00 0.00 C ATOM 1167 O VAL A 75 -12.593 -5.597 -2.823 1.00 0.00 O ATOM 1168 CB VAL A 75 -13.758 -4.503 -5.547 1.00 0.00 C ATOM 1169 CG1 VAL A 75 -12.535 -3.603 -5.722 1.00 0.00 C ATOM 1170 CG2 VAL A 75 -14.491 -4.621 -6.886 1.00 0.00 C ATOM 0 HA VAL A 75 -12.839 -6.421 -5.918 1.00 0.00 H new ATOM 0 HB VAL A 75 -14.420 -4.071 -4.797 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.855 -2.613 -6.046 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -12.005 -3.521 -4.773 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -11.871 -4.033 -6.472 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.808 -3.632 -7.215 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -13.822 -5.054 -7.630 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -15.365 -5.262 -6.767 1.00 0.00 H new ATOM 1180 N GLY A 76 -11.067 -6.076 -4.322 1.00 0.00 N ATOM 1181 CA GLY A 76 -9.975 -6.059 -3.319 1.00 0.00 C ATOM 1182 C GLY A 76 -8.896 -5.115 -3.816 1.00 0.00 C ATOM 1183 O GLY A 76 -8.173 -5.420 -4.742 1.00 0.00 O ATOM 0 H GLY A 76 -10.770 -6.287 -5.275 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.352 -5.730 -2.351 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.570 -7.061 -3.180 1.00 0.00 H new ATOM 1187 N VAL A 77 -8.802 -3.958 -3.228 1.00 0.00 N ATOM 1188 CA VAL A 77 -7.790 -2.971 -3.679 1.00 0.00 C ATOM 1189 C VAL A 77 -6.402 -3.621 -3.753 1.00 0.00 C ATOM 1190 O VAL A 77 -5.648 -3.631 -2.799 1.00 0.00 O ATOM 1191 CB VAL A 77 -7.821 -1.854 -2.628 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -7.344 -2.400 -1.280 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -6.900 -0.715 -3.067 1.00 0.00 C ATOM 0 H VAL A 77 -9.387 -3.653 -2.450 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.005 -2.589 -4.677 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.841 -1.483 -2.528 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.367 -1.604 -0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.999 -3.212 -0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.325 -2.774 -1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.922 0.079 -2.320 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.881 -1.089 -3.169 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.239 -0.321 -4.025 1.00 0.00 H new ATOM 1203 N SER A 78 -6.072 -4.177 -4.879 1.00 0.00 N ATOM 1204 CA SER A 78 -4.745 -4.847 -5.022 1.00 0.00 C ATOM 1205 C SER A 78 -3.605 -3.859 -4.743 1.00 0.00 C ATOM 1206 O SER A 78 -3.823 -2.747 -4.303 1.00 0.00 O ATOM 1207 CB SER A 78 -4.694 -5.327 -6.472 1.00 0.00 C ATOM 1208 OG SER A 78 -3.961 -6.543 -6.537 1.00 0.00 O ATOM 0 H SER A 78 -6.661 -4.199 -5.711 1.00 0.00 H new ATOM 0 HA SER A 78 -4.627 -5.668 -4.314 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.704 -5.477 -6.854 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.224 -4.571 -7.101 1.00 0.00 H new ATOM 0 HG SER A 78 -3.927 -6.855 -7.465 1.00 0.00 H new ATOM 1214 N VAL A 79 -2.393 -4.271 -4.991 1.00 0.00 N ATOM 1215 CA VAL A 79 -1.218 -3.384 -4.739 1.00 0.00 C ATOM 1216 C VAL A 79 0.023 -3.994 -5.402 1.00 0.00 C ATOM 1217 O VAL A 79 -0.090 -4.871 -6.236 1.00 0.00 O ATOM 1218 CB VAL A 79 -1.085 -3.344 -3.210 1.00 0.00 C ATOM 1219 CG1 VAL A 79 -0.381 -4.609 -2.708 1.00 0.00 C ATOM 1220 CG2 VAL A 79 -0.283 -2.109 -2.787 1.00 0.00 C ATOM 0 H VAL A 79 -2.162 -5.193 -5.361 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.331 -2.381 -5.149 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.083 -3.293 -2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.292 -4.570 -1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.962 -5.486 -2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.613 -4.672 -3.151 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.193 -2.088 -1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.711 -2.150 -3.233 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.795 -1.209 -3.126 1.00 0.00 H new ATOM 1230 N LYS A 80 1.202 -3.553 -5.046 1.00 0.00 N ATOM 1231 CA LYS A 80 2.411 -4.133 -5.675 1.00 0.00 C ATOM 1232 C LYS A 80 3.665 -3.875 -4.821 1.00 0.00 C ATOM 1233 O LYS A 80 3.608 -3.248 -3.782 1.00 0.00 O ATOM 1234 CB LYS A 80 2.524 -3.424 -7.026 1.00 0.00 C ATOM 1235 CG LYS A 80 2.137 -4.390 -8.150 1.00 0.00 C ATOM 1236 CD LYS A 80 3.009 -4.122 -9.378 1.00 0.00 C ATOM 1237 CE LYS A 80 2.380 -4.784 -10.606 1.00 0.00 C ATOM 1238 NZ LYS A 80 3.170 -6.029 -10.817 1.00 0.00 N ATOM 0 H LYS A 80 1.373 -2.824 -4.354 1.00 0.00 H new ATOM 0 HA LYS A 80 2.334 -5.215 -5.777 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.873 -2.550 -7.044 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.543 -3.066 -7.176 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.265 -5.420 -7.818 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.084 -4.265 -8.404 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.107 -3.049 -9.540 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.014 -4.512 -9.216 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.327 -5.008 -10.438 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.432 -4.131 -11.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 2.799 -6.540 -11.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.167 -5.784 -10.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.096 -6.634 -9.974 1.00 0.00 H new ATOM 1252 N PRO A 81 4.754 -4.392 -5.318 1.00 0.00 N ATOM 1253 CA PRO A 81 6.075 -4.285 -4.687 1.00 0.00 C ATOM 1254 C PRO A 81 6.898 -3.239 -5.438 1.00 0.00 C ATOM 1255 O PRO A 81 7.658 -3.564 -6.330 1.00 0.00 O ATOM 1256 CB PRO A 81 6.652 -5.673 -4.952 1.00 0.00 C ATOM 1257 CG PRO A 81 5.936 -6.165 -6.189 1.00 0.00 C ATOM 1258 CD PRO A 81 4.868 -5.147 -6.533 1.00 0.00 C ATOM 0 HA PRO A 81 6.059 -3.999 -3.635 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.729 -5.629 -5.111 1.00 0.00 H new ATOM 0 HB3 PRO A 81 6.482 -6.339 -4.106 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.636 -6.281 -7.016 1.00 0.00 H new ATOM 0 HG3 PRO A 81 5.490 -7.143 -6.010 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.162 -4.519 -7.374 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.926 -5.623 -6.804 1.00 0.00 H new ATOM 1266 N GLY A 82 6.732 -1.994 -5.120 1.00 0.00 N ATOM 1267 CA GLY A 82 7.484 -0.939 -5.858 1.00 0.00 C ATOM 1268 C GLY A 82 8.991 -1.177 -5.778 1.00 0.00 C ATOM 1269 O GLY A 82 9.571 -1.213 -4.711 1.00 0.00 O ATOM 0 H GLY A 82 6.112 -1.656 -4.384 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.170 -0.927 -6.902 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.245 0.040 -5.442 1.00 0.00 H new ATOM 1273 N GLU A 83 9.634 -1.317 -6.914 1.00 0.00 N ATOM 1274 CA GLU A 83 11.109 -1.530 -6.913 1.00 0.00 C ATOM 1275 C GLU A 83 11.787 -0.313 -6.293 1.00 0.00 C ATOM 1276 O GLU A 83 12.766 -0.429 -5.588 1.00 0.00 O ATOM 1277 CB GLU A 83 11.513 -1.691 -8.383 1.00 0.00 C ATOM 1278 CG GLU A 83 11.328 -0.364 -9.125 1.00 0.00 C ATOM 1279 CD GLU A 83 11.333 -0.617 -10.635 1.00 0.00 C ATOM 1280 OE1 GLU A 83 10.467 -1.342 -11.096 1.00 0.00 O ATOM 1281 OE2 GLU A 83 12.200 -0.081 -11.302 1.00 0.00 O ATOM 0 H GLU A 83 9.199 -1.292 -7.836 1.00 0.00 H new ATOM 0 HA GLU A 83 11.404 -2.405 -6.334 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.552 -2.013 -8.450 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.908 -2.467 -8.852 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.389 0.103 -8.827 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.127 0.328 -8.859 1.00 0.00 H new ATOM 1288 N SER A 84 11.251 0.855 -6.532 1.00 0.00 N ATOM 1289 CA SER A 84 11.846 2.082 -5.930 1.00 0.00 C ATOM 1290 C SER A 84 11.946 1.877 -4.420 1.00 0.00 C ATOM 1291 O SER A 84 12.842 2.374 -3.767 1.00 0.00 O ATOM 1292 CB SER A 84 10.870 3.211 -6.262 1.00 0.00 C ATOM 1293 OG SER A 84 11.603 4.391 -6.564 1.00 0.00 O ATOM 0 H SER A 84 10.430 1.011 -7.116 1.00 0.00 H new ATOM 0 HA SER A 84 12.844 2.307 -6.307 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.245 2.930 -7.110 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.202 3.390 -5.419 1.00 0.00 H new ATOM 0 HG SER A 84 10.981 5.117 -6.779 1.00 0.00 H new ATOM 1299 N LEU A 85 11.035 1.116 -3.875 1.00 0.00 N ATOM 1300 CA LEU A 85 11.062 0.830 -2.418 1.00 0.00 C ATOM 1301 C LEU A 85 11.991 -0.356 -2.162 1.00 0.00 C ATOM 1302 O LEU A 85 12.669 -0.424 -1.155 1.00 0.00 O ATOM 1303 CB LEU A 85 9.620 0.468 -2.057 1.00 0.00 C ATOM 1304 CG LEU A 85 9.540 0.101 -0.578 1.00 0.00 C ATOM 1305 CD1 LEU A 85 8.155 0.460 -0.034 1.00 0.00 C ATOM 1306 CD2 LEU A 85 9.779 -1.400 -0.424 1.00 0.00 C ATOM 0 H LEU A 85 10.268 0.678 -4.385 1.00 0.00 H new ATOM 0 HA LEU A 85 11.424 1.671 -1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.959 1.308 -2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.280 -0.368 -2.669 1.00 0.00 H new ATOM 0 HG LEU A 85 10.297 0.653 -0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 85 8.100 0.197 1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.984 1.530 -0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.393 -0.091 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 85 9.724 -1.671 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.019 -1.948 -0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.766 -1.653 -0.812 1.00 0.00 H new ATOM 1318 N LYS A 86 12.030 -1.290 -3.078 1.00 0.00 N ATOM 1319 CA LYS A 86 12.920 -2.472 -2.900 1.00 0.00 C ATOM 1320 C LYS A 86 14.359 -2.066 -3.166 1.00 0.00 C ATOM 1321 O LYS A 86 15.258 -2.381 -2.411 1.00 0.00 O ATOM 1322 CB LYS A 86 12.446 -3.502 -3.928 1.00 0.00 C ATOM 1323 CG LYS A 86 11.954 -4.761 -3.212 1.00 0.00 C ATOM 1324 CD LYS A 86 11.291 -5.697 -4.224 1.00 0.00 C ATOM 1325 CE LYS A 86 12.282 -6.787 -4.638 1.00 0.00 C ATOM 1326 NZ LYS A 86 11.446 -7.998 -4.869 1.00 0.00 N ATOM 0 H LYS A 86 11.484 -1.283 -3.940 1.00 0.00 H new ATOM 0 HA LYS A 86 12.877 -2.877 -1.889 1.00 0.00 H new ATOM 0 HB2 LYS A 86 11.644 -3.081 -4.535 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.261 -3.754 -4.607 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.789 -5.266 -2.726 1.00 0.00 H new ATOM 0 HG3 LYS A 86 11.244 -4.493 -2.429 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.399 -6.148 -3.788 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.968 -5.133 -5.099 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.826 -6.505 -5.539 1.00 0.00 H new ATOM 0 HE3 LYS A 86 13.024 -6.962 -3.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.055 -8.790 -5.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.945 -8.247 -3.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.753 -7.803 -5.620 1.00 0.00 H new ATOM 1340 N LYS A 87 14.574 -1.329 -4.211 1.00 0.00 N ATOM 1341 CA LYS A 87 15.944 -0.851 -4.509 1.00 0.00 C ATOM 1342 C LYS A 87 16.327 0.083 -3.372 1.00 0.00 C ATOM 1343 O LYS A 87 17.436 0.065 -2.846 1.00 0.00 O ATOM 1344 CB LYS A 87 15.828 -0.106 -5.843 1.00 0.00 C ATOM 1345 CG LYS A 87 17.179 0.519 -6.201 1.00 0.00 C ATOM 1346 CD LYS A 87 18.185 -0.587 -6.522 1.00 0.00 C ATOM 1347 CE LYS A 87 19.287 -0.029 -7.427 1.00 0.00 C ATOM 1348 NZ LYS A 87 20.358 -1.064 -7.409 1.00 0.00 N ATOM 0 H LYS A 87 13.857 -1.036 -4.875 1.00 0.00 H new ATOM 0 HA LYS A 87 16.698 -1.634 -4.588 1.00 0.00 H new ATOM 0 HB2 LYS A 87 15.514 -0.793 -6.629 1.00 0.00 H new ATOM 0 HB3 LYS A 87 15.064 0.669 -5.773 1.00 0.00 H new ATOM 0 HG2 LYS A 87 17.068 1.184 -7.058 1.00 0.00 H new ATOM 0 HG3 LYS A 87 17.542 1.126 -5.371 1.00 0.00 H new ATOM 0 HD2 LYS A 87 18.619 -0.977 -5.601 1.00 0.00 H new ATOM 0 HD3 LYS A 87 17.682 -1.419 -7.015 1.00 0.00 H new ATOM 0 HE2 LYS A 87 18.919 0.141 -8.439 1.00 0.00 H new ATOM 0 HE3 LYS A 87 19.656 0.928 -7.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 21.150 -0.754 -8.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 20.693 -1.200 -6.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 19.979 -1.962 -7.773 1.00 0.00 H new ATOM 1362 N ALA A 88 15.371 0.849 -2.923 1.00 0.00 N ATOM 1363 CA ALA A 88 15.640 1.722 -1.771 1.00 0.00 C ATOM 1364 C ALA A 88 15.993 0.804 -0.613 1.00 0.00 C ATOM 1365 O ALA A 88 16.849 1.097 0.202 1.00 0.00 O ATOM 1366 CB ALA A 88 14.332 2.468 -1.501 1.00 0.00 C ATOM 0 H ALA A 88 14.427 0.901 -3.307 1.00 0.00 H new ATOM 0 HA ALA A 88 16.449 2.435 -1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 88 14.464 3.138 -0.651 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.056 3.048 -2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.543 1.750 -1.278 1.00 0.00 H new ATOM 1372 N ALA A 89 15.333 -0.332 -0.549 1.00 0.00 N ATOM 1373 CA ALA A 89 15.614 -1.300 0.551 1.00 0.00 C ATOM 1374 C ALA A 89 17.091 -1.653 0.538 1.00 0.00 C ATOM 1375 O ALA A 89 17.727 -1.717 1.572 1.00 0.00 O ATOM 1376 CB ALA A 89 14.731 -2.520 0.269 1.00 0.00 C ATOM 0 H ALA A 89 14.615 -0.625 -1.211 1.00 0.00 H new ATOM 0 HA ALA A 89 15.393 -0.896 1.539 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.890 -3.271 1.043 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.684 -2.218 0.266 1.00 0.00 H new ATOM 0 HB3 ALA A 89 14.990 -2.940 -0.703 1.00 0.00 H new ATOM 1382 N GLU A 90 17.664 -1.816 -0.625 1.00 0.00 N ATOM 1383 CA GLU A 90 19.126 -2.086 -0.678 1.00 0.00 C ATOM 1384 C GLU A 90 19.808 -0.940 0.066 1.00 0.00 C ATOM 1385 O GLU A 90 20.855 -1.088 0.663 1.00 0.00 O ATOM 1386 CB GLU A 90 19.498 -2.080 -2.163 1.00 0.00 C ATOM 1387 CG GLU A 90 18.699 -3.160 -2.899 1.00 0.00 C ATOM 1388 CD GLU A 90 19.581 -4.391 -3.119 1.00 0.00 C ATOM 1389 OE1 GLU A 90 20.431 -4.645 -2.281 1.00 0.00 O ATOM 1390 OE2 GLU A 90 19.391 -5.060 -4.122 1.00 0.00 O ATOM 0 H GLU A 90 17.189 -1.774 -1.527 1.00 0.00 H new ATOM 0 HA GLU A 90 19.422 -3.032 -0.226 1.00 0.00 H new ATOM 0 HB2 GLU A 90 19.290 -1.102 -2.596 1.00 0.00 H new ATOM 0 HB3 GLU A 90 20.566 -2.260 -2.281 1.00 0.00 H new ATOM 0 HG2 GLU A 90 17.816 -3.431 -2.320 1.00 0.00 H new ATOM 0 HG3 GLU A 90 18.347 -2.777 -3.857 1.00 0.00 H new ATOM 1397 N GLY A 91 19.174 0.208 0.043 1.00 0.00 N ATOM 1398 CA GLY A 91 19.718 1.395 0.757 1.00 0.00 C ATOM 1399 C GLY A 91 19.713 1.155 2.278 1.00 0.00 C ATOM 1400 O GLY A 91 20.720 1.349 2.932 1.00 0.00 O ATOM 0 H GLY A 91 18.294 0.370 -0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 91 20.734 1.597 0.418 1.00 0.00 H new ATOM 0 HA3 GLY A 91 19.121 2.276 0.519 1.00 0.00 H new ATOM 1404 N LEU A 92 18.603 0.738 2.865 1.00 0.00 N ATOM 1405 CA LEU A 92 18.600 0.511 4.346 1.00 0.00 C ATOM 1406 C LEU A 92 19.643 -0.550 4.706 1.00 0.00 C ATOM 1407 O LEU A 92 20.304 -0.469 5.720 1.00 0.00 O ATOM 1408 CB LEU A 92 17.166 0.047 4.678 1.00 0.00 C ATOM 1409 CG LEU A 92 17.050 -1.480 4.680 1.00 0.00 C ATOM 1410 CD1 LEU A 92 17.528 -2.037 6.026 1.00 0.00 C ATOM 1411 CD2 LEU A 92 15.585 -1.871 4.463 1.00 0.00 C ATOM 0 H LEU A 92 17.721 0.550 2.389 1.00 0.00 H new ATOM 0 HA LEU A 92 18.860 1.403 4.916 1.00 0.00 H new ATOM 0 HB2 LEU A 92 16.875 0.435 5.654 1.00 0.00 H new ATOM 0 HB3 LEU A 92 16.471 0.464 3.949 1.00 0.00 H new ATOM 0 HG LEU A 92 17.668 -1.891 3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 92 17.443 -3.124 6.021 1.00 0.00 H new ATOM 0 HD12 LEU A 92 18.568 -1.755 6.188 1.00 0.00 H new ATOM 0 HD13 LEU A 92 16.913 -1.629 6.828 1.00 0.00 H new ATOM 0 HD21 LEU A 92 15.494 -2.957 4.463 1.00 0.00 H new ATOM 0 HD22 LEU A 92 14.975 -1.456 5.265 1.00 0.00 H new ATOM 0 HD23 LEU A 92 15.242 -1.478 3.506 1.00 0.00 H new ATOM 1423 N LYS A 93 19.769 -1.533 3.856 1.00 0.00 N ATOM 1424 CA LYS A 93 20.736 -2.660 4.045 1.00 0.00 C ATOM 1425 C LYS A 93 20.088 -3.923 3.525 1.00 0.00 C ATOM 1426 O LYS A 93 19.824 -4.846 4.283 1.00 0.00 O ATOM 1427 CB LYS A 93 21.009 -2.858 5.543 1.00 0.00 C ATOM 1428 CG LYS A 93 21.741 -4.200 5.751 1.00 0.00 C ATOM 1429 CD LYS A 93 23.046 -3.970 6.509 1.00 0.00 C ATOM 1430 CE LYS A 93 23.949 -3.027 5.708 1.00 0.00 C ATOM 1431 NZ LYS A 93 25.332 -3.340 6.165 1.00 0.00 N ATOM 0 H LYS A 93 19.218 -1.605 3.001 1.00 0.00 H new ATOM 0 HA LYS A 93 21.666 -2.441 3.521 1.00 0.00 H new ATOM 0 HB2 LYS A 93 21.614 -2.037 5.926 1.00 0.00 H new ATOM 0 HB3 LYS A 93 20.072 -2.851 6.100 1.00 0.00 H new ATOM 0 HG2 LYS A 93 21.105 -4.889 6.307 1.00 0.00 H new ATOM 0 HG3 LYS A 93 21.948 -4.664 4.787 1.00 0.00 H new ATOM 0 HD2 LYS A 93 22.838 -3.543 7.490 1.00 0.00 H new ATOM 0 HD3 LYS A 93 23.553 -4.920 6.676 1.00 0.00 H new ATOM 0 HE2 LYS A 93 23.840 -3.192 4.636 1.00 0.00 H new ATOM 0 HE3 LYS A 93 23.697 -1.983 5.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 26.010 -2.733 5.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 25.407 -3.167 7.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 25.546 -4.338 5.966 1.00 0.00 H new ATOM 1445 N TYR A 94 19.824 -4.020 2.260 1.00 0.00 N ATOM 1446 CA TYR A 94 19.216 -5.282 1.816 1.00 0.00 C ATOM 1447 C TYR A 94 20.053 -6.386 2.399 1.00 0.00 C ATOM 1448 O TYR A 94 19.580 -7.168 3.220 1.00 0.00 O ATOM 1449 CB TYR A 94 19.286 -5.338 0.306 1.00 0.00 C ATOM 1450 CG TYR A 94 19.265 -6.795 -0.094 1.00 0.00 C ATOM 1451 CD1 TYR A 94 18.075 -7.532 -0.025 1.00 0.00 C ATOM 1452 CD2 TYR A 94 20.446 -7.414 -0.509 1.00 0.00 C ATOM 1453 CE1 TYR A 94 18.074 -8.884 -0.386 1.00 0.00 C ATOM 1454 CE2 TYR A 94 20.443 -8.766 -0.868 1.00 0.00 C ATOM 1455 CZ TYR A 94 19.255 -9.500 -0.811 1.00 0.00 C ATOM 1456 OH TYR A 94 19.251 -10.834 -1.165 1.00 0.00 O ATOM 0 H TYR A 94 19.995 -3.312 1.545 1.00 0.00 H new ATOM 0 HA TYR A 94 18.176 -5.371 2.131 1.00 0.00 H new ATOM 0 HB2 TYR A 94 18.444 -4.806 -0.137 1.00 0.00 H new ATOM 0 HB3 TYR A 94 20.194 -4.854 -0.054 1.00 0.00 H new ATOM 0 HD1 TYR A 94 17.162 -7.058 0.305 1.00 0.00 H new ATOM 0 HD2 TYR A 94 21.364 -6.847 -0.553 1.00 0.00 H new ATOM 0 HE1 TYR A 94 17.158 -9.454 -0.336 1.00 0.00 H new ATOM 0 HE2 TYR A 94 21.358 -9.242 -1.189 1.00 0.00 H new ATOM 0 HH TYR A 94 20.153 -11.103 -1.437 1.00 0.00 H new ATOM 1466 N GLU A 95 21.324 -6.459 2.065 1.00 0.00 N ATOM 1467 CA GLU A 95 22.102 -7.555 2.682 1.00 0.00 C ATOM 1468 C GLU A 95 21.037 -8.390 3.301 1.00 0.00 C ATOM 1469 O GLU A 95 21.119 -8.771 4.448 1.00 0.00 O ATOM 1470 CB GLU A 95 23.010 -6.919 3.737 1.00 0.00 C ATOM 1471 CG GLU A 95 23.935 -5.894 3.073 1.00 0.00 C ATOM 1472 CD GLU A 95 25.304 -6.527 2.818 1.00 0.00 C ATOM 1473 OE1 GLU A 95 25.960 -6.880 3.784 1.00 0.00 O ATOM 1474 OE2 GLU A 95 25.673 -6.648 1.662 1.00 0.00 O ATOM 0 H GLU A 95 21.824 -5.839 1.427 1.00 0.00 H new ATOM 0 HA GLU A 95 22.734 -8.136 2.011 1.00 0.00 H new ATOM 0 HB2 GLU A 95 22.407 -6.435 4.505 1.00 0.00 H new ATOM 0 HB3 GLU A 95 23.601 -7.689 4.233 1.00 0.00 H new ATOM 0 HG2 GLU A 95 23.501 -5.552 2.134 1.00 0.00 H new ATOM 0 HG3 GLU A 95 24.042 -5.018 3.712 1.00 0.00 H new ATOM 1547 N MET B 1 -5.263 6.816 -11.743 1.00 0.00 N ATOM 1548 CA MET B 1 -4.864 7.541 -10.501 1.00 0.00 C ATOM 1549 C MET B 1 -3.410 7.250 -10.161 1.00 0.00 C ATOM 1550 O MET B 1 -2.897 6.193 -10.471 1.00 0.00 O ATOM 1551 CB MET B 1 -5.744 6.966 -9.401 1.00 0.00 C ATOM 1552 CG MET B 1 -5.983 8.019 -8.315 1.00 0.00 C ATOM 1553 SD MET B 1 -7.578 8.829 -8.590 1.00 0.00 S ATOM 1554 CE MET B 1 -7.448 10.042 -7.254 1.00 0.00 C ATOM 0 H1 MET B 1 -5.921 7.405 -12.292 1.00 0.00 H new ATOM 0 H2 MET B 1 -4.418 6.616 -12.315 1.00 0.00 H new ATOM 0 H3 MET B 1 -5.729 5.922 -11.488 1.00 0.00 H new ATOM 0 HA MET B 1 -4.976 8.619 -10.618 1.00 0.00 H new ATOM 0 HB2 MET B 1 -6.697 6.641 -9.819 1.00 0.00 H new ATOM 0 HB3 MET B 1 -5.269 6.086 -8.967 1.00 0.00 H new ATOM 0 HG2 MET B 1 -5.967 7.550 -7.331 1.00 0.00 H new ATOM 0 HG3 MET B 1 -5.182 8.758 -8.329 1.00 0.00 H new ATOM 0 HE1 MET B 1 -7.791 11.014 -7.610 1.00 0.00 H new ATOM 0 HE2 MET B 1 -8.065 9.725 -6.413 1.00 0.00 H new ATOM 0 HE3 MET B 1 -6.409 10.119 -6.932 1.00 0.00 H new ATOM 1566 N ASN B 2 -2.748 8.156 -9.491 1.00 0.00 N ATOM 1567 CA ASN B 2 -1.337 7.889 -9.102 1.00 0.00 C ATOM 1568 C ASN B 2 -0.735 9.071 -8.335 1.00 0.00 C ATOM 1569 O ASN B 2 -1.442 9.903 -7.803 1.00 0.00 O ATOM 1570 CB ASN B 2 -0.572 7.647 -10.412 1.00 0.00 C ATOM 1571 CG ASN B 2 -0.793 8.825 -11.360 1.00 0.00 C ATOM 1572 OD1 ASN B 2 -0.888 9.956 -10.929 1.00 0.00 O ATOM 1573 ND2 ASN B 2 -0.881 8.608 -12.644 1.00 0.00 N ATOM 0 H ASN B 2 -3.121 9.060 -9.200 1.00 0.00 H new ATOM 0 HA ASN B 2 -1.275 7.028 -8.436 1.00 0.00 H new ATOM 0 HB2 ASN B 2 0.492 7.527 -10.207 1.00 0.00 H new ATOM 0 HB3 ASN B 2 -0.913 6.723 -10.879 1.00 0.00 H new ATOM 0 HD21 ASN B 2 -1.029 9.388 -13.284 1.00 0.00 H new ATOM 0 HD22 ASN B 2 -0.801 7.658 -13.007 1.00 0.00 H new ATOM 1580 N LYS B 3 0.576 9.147 -8.276 1.00 0.00 N ATOM 1581 CA LYS B 3 1.241 10.271 -7.538 1.00 0.00 C ATOM 1582 C LYS B 3 0.706 11.633 -8.018 1.00 0.00 C ATOM 1583 O LYS B 3 0.967 12.650 -7.410 1.00 0.00 O ATOM 1584 CB LYS B 3 2.745 10.136 -7.840 1.00 0.00 C ATOM 1585 CG LYS B 3 3.513 9.767 -6.554 1.00 0.00 C ATOM 1586 CD LYS B 3 4.798 10.610 -6.447 1.00 0.00 C ATOM 1587 CE LYS B 3 5.923 9.799 -5.772 1.00 0.00 C ATOM 1588 NZ LYS B 3 7.091 9.917 -6.693 1.00 0.00 N ATOM 0 H LYS B 3 1.214 8.478 -8.708 1.00 0.00 H new ATOM 0 HA LYS B 3 1.042 10.220 -6.468 1.00 0.00 H new ATOM 0 HB2 LYS B 3 2.904 9.371 -8.600 1.00 0.00 H new ATOM 0 HB3 LYS B 3 3.128 11.073 -8.245 1.00 0.00 H new ATOM 0 HG2 LYS B 3 2.882 9.939 -5.682 1.00 0.00 H new ATOM 0 HG3 LYS B 3 3.764 8.706 -6.562 1.00 0.00 H new ATOM 0 HD2 LYS B 3 5.116 10.926 -7.440 1.00 0.00 H new ATOM 0 HD3 LYS B 3 4.599 11.515 -5.873 1.00 0.00 H new ATOM 0 HE2 LYS B 3 6.158 10.196 -4.784 1.00 0.00 H new ATOM 0 HE3 LYS B 3 5.632 8.758 -5.636 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 7.502 8.975 -6.855 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 6.779 10.320 -7.600 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 7.808 10.538 -6.267 1.00 0.00 H new ATOM 1602 N THR B 4 -0.049 11.665 -9.090 1.00 0.00 N ATOM 1603 CA THR B 4 -0.605 12.967 -9.576 1.00 0.00 C ATOM 1604 C THR B 4 -2.101 13.031 -9.265 1.00 0.00 C ATOM 1605 O THR B 4 -2.586 13.982 -8.678 1.00 0.00 O ATOM 1606 CB THR B 4 -0.359 12.979 -11.090 1.00 0.00 C ATOM 1607 OG1 THR B 4 1.013 13.247 -11.341 1.00 0.00 O ATOM 1608 CG2 THR B 4 -1.221 14.062 -11.748 1.00 0.00 C ATOM 0 H THR B 4 -0.303 10.849 -9.647 1.00 0.00 H new ATOM 0 HA THR B 4 -0.137 13.826 -9.095 1.00 0.00 H new ATOM 0 HB THR B 4 -0.625 12.008 -11.507 1.00 0.00 H new ATOM 0 HG1 THR B 4 1.173 13.254 -12.308 1.00 0.00 H new ATOM 0 HG21 THR B 4 -1.042 14.066 -12.823 1.00 0.00 H new ATOM 0 HG22 THR B 4 -2.274 13.855 -11.556 1.00 0.00 H new ATOM 0 HG23 THR B 4 -0.961 15.036 -11.333 1.00 0.00 H new ATOM 1616 N GLU B 5 -2.837 12.025 -9.645 1.00 0.00 N ATOM 1617 CA GLU B 5 -4.295 12.035 -9.352 1.00 0.00 C ATOM 1618 C GLU B 5 -4.489 11.973 -7.839 1.00 0.00 C ATOM 1619 O GLU B 5 -5.350 12.629 -7.287 1.00 0.00 O ATOM 1620 CB GLU B 5 -4.859 10.800 -10.044 1.00 0.00 C ATOM 1621 CG GLU B 5 -5.656 11.220 -11.283 1.00 0.00 C ATOM 1622 CD GLU B 5 -6.884 10.320 -11.433 1.00 0.00 C ATOM 1623 OE1 GLU B 5 -7.908 10.648 -10.858 1.00 0.00 O ATOM 1624 OE2 GLU B 5 -6.778 9.318 -12.122 1.00 0.00 O ATOM 0 H GLU B 5 -2.495 11.203 -10.142 1.00 0.00 H new ATOM 0 HA GLU B 5 -4.801 12.933 -9.708 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -4.048 10.130 -10.331 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -5.500 10.248 -9.357 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -5.965 12.262 -11.193 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -5.030 11.149 -12.172 1.00 0.00 H new ATOM 1631 N LEU B 6 -3.669 11.219 -7.154 1.00 0.00 N ATOM 1632 CA LEU B 6 -3.799 11.177 -5.670 1.00 0.00 C ATOM 1633 C LEU B 6 -3.305 12.508 -5.110 1.00 0.00 C ATOM 1634 O LEU B 6 -3.767 12.976 -4.085 1.00 0.00 O ATOM 1635 CB LEU B 6 -2.921 10.015 -5.199 1.00 0.00 C ATOM 1636 CG LEU B 6 -3.659 8.694 -5.430 1.00 0.00 C ATOM 1637 CD1 LEU B 6 -2.659 7.537 -5.412 1.00 0.00 C ATOM 1638 CD2 LEU B 6 -4.695 8.491 -4.321 1.00 0.00 C ATOM 0 H LEU B 6 -2.928 10.641 -7.550 1.00 0.00 H new ATOM 0 HA LEU B 6 -4.826 11.030 -5.335 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -1.976 10.016 -5.742 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -2.682 10.131 -4.142 1.00 0.00 H new ATOM 0 HG LEU B 6 -4.160 8.722 -6.398 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -3.187 6.598 -5.577 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -1.921 7.682 -6.201 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -2.156 7.506 -4.446 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -5.222 7.551 -4.483 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -4.192 8.463 -3.354 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -5.409 9.314 -4.335 1.00 0.00 H new ATOM 1650 N ILE B 7 -2.401 13.152 -5.808 1.00 0.00 N ATOM 1651 CA ILE B 7 -1.921 14.480 -5.342 1.00 0.00 C ATOM 1652 C ILE B 7 -3.145 15.381 -5.225 1.00 0.00 C ATOM 1653 O ILE B 7 -3.488 15.851 -4.161 1.00 0.00 O ATOM 1654 CB ILE B 7 -0.946 14.967 -6.434 1.00 0.00 C ATOM 1655 CG1 ILE B 7 0.484 14.866 -5.909 1.00 0.00 C ATOM 1656 CG2 ILE B 7 -1.237 16.424 -6.809 1.00 0.00 C ATOM 1657 CD1 ILE B 7 1.464 15.424 -6.947 1.00 0.00 C ATOM 0 H ILE B 7 -1.980 12.814 -6.674 1.00 0.00 H new ATOM 0 HA ILE B 7 -1.416 14.466 -4.376 1.00 0.00 H new ATOM 0 HB ILE B 7 -1.072 14.343 -7.319 1.00 0.00 H new ATOM 0 HG12 ILE B 7 0.577 15.419 -4.975 1.00 0.00 H new ATOM 0 HG13 ILE B 7 0.727 13.826 -5.689 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -0.538 16.748 -7.580 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -2.257 16.506 -7.185 1.00 0.00 H new ATOM 0 HG23 ILE B 7 -1.123 17.056 -5.928 1.00 0.00 H new ATOM 0 HD11 ILE B 7 2.482 15.348 -6.564 1.00 0.00 H new ATOM 0 HD12 ILE B 7 1.380 14.852 -7.871 1.00 0.00 H new ATOM 0 HD13 ILE B 7 1.228 16.470 -7.145 1.00 0.00 H new ATOM 1669 N LYS B 8 -3.818 15.589 -6.320 1.00 0.00 N ATOM 1670 CA LYS B 8 -5.046 16.427 -6.292 1.00 0.00 C ATOM 1671 C LYS B 8 -6.096 15.767 -5.400 1.00 0.00 C ATOM 1672 O LYS B 8 -6.956 16.431 -4.853 1.00 0.00 O ATOM 1673 CB LYS B 8 -5.535 16.541 -7.745 1.00 0.00 C ATOM 1674 CG LYS B 8 -5.609 15.161 -8.408 1.00 0.00 C ATOM 1675 CD LYS B 8 -7.016 14.585 -8.250 1.00 0.00 C ATOM 1676 CE LYS B 8 -7.227 13.481 -9.288 1.00 0.00 C ATOM 1677 NZ LYS B 8 -8.705 13.365 -9.433 1.00 0.00 N ATOM 0 H LYS B 8 -3.570 15.214 -7.235 1.00 0.00 H new ATOM 0 HA LYS B 8 -4.853 17.419 -5.883 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -6.518 17.012 -7.766 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -4.861 17.185 -8.310 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -5.356 15.241 -9.465 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -4.879 14.490 -7.955 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -7.147 14.185 -7.245 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -7.760 15.371 -8.381 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -6.756 13.737 -10.237 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -6.788 12.540 -8.958 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -8.937 12.477 -9.922 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -9.147 13.368 -8.492 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -9.064 14.169 -9.987 1.00 0.00 H new ATOM 1691 N ALA B 9 -6.022 14.469 -5.214 1.00 0.00 N ATOM 1692 CA ALA B 9 -7.007 13.802 -4.318 1.00 0.00 C ATOM 1693 C ALA B 9 -6.869 14.388 -2.920 1.00 0.00 C ATOM 1694 O ALA B 9 -7.839 14.589 -2.215 1.00 0.00 O ATOM 1695 CB ALA B 9 -6.614 12.332 -4.316 1.00 0.00 C ATOM 0 H ALA B 9 -5.329 13.854 -5.640 1.00 0.00 H new ATOM 0 HA ALA B 9 -8.039 13.938 -4.643 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -7.297 11.774 -3.675 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -6.667 11.940 -5.332 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -5.596 12.228 -3.940 1.00 0.00 H new ATOM 1701 N ILE B 10 -5.662 14.699 -2.529 1.00 0.00 N ATOM 1702 CA ILE B 10 -5.450 15.300 -1.204 1.00 0.00 C ATOM 1703 C ILE B 10 -5.376 16.800 -1.400 1.00 0.00 C ATOM 1704 O ILE B 10 -5.855 17.554 -0.592 1.00 0.00 O ATOM 1705 CB ILE B 10 -4.116 14.706 -0.716 1.00 0.00 C ATOM 1706 CG1 ILE B 10 -4.328 14.011 0.631 1.00 0.00 C ATOM 1707 CG2 ILE B 10 -3.054 15.802 -0.560 1.00 0.00 C ATOM 1708 CD1 ILE B 10 -5.144 12.732 0.429 1.00 0.00 C ATOM 0 H ILE B 10 -4.817 14.557 -3.082 1.00 0.00 H new ATOM 0 HA ILE B 10 -6.236 15.100 -0.476 1.00 0.00 H new ATOM 0 HB ILE B 10 -3.768 13.986 -1.457 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -3.365 13.772 1.083 1.00 0.00 H new ATOM 0 HG13 ILE B 10 -4.846 14.680 1.319 1.00 0.00 H new ATOM 0 HG21 ILE B 10 -2.121 15.358 -0.214 1.00 0.00 H new ATOM 0 HG22 ILE B 10 -2.890 16.289 -1.521 1.00 0.00 H new ATOM 0 HG23 ILE B 10 -3.396 16.539 0.167 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -5.293 12.240 1.390 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -6.112 12.983 -0.004 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -4.609 12.061 -0.243 1.00 0.00 H new ATOM 1720 N ALA B 11 -4.811 17.228 -2.501 1.00 0.00 N ATOM 1721 CA ALA B 11 -4.738 18.691 -2.774 1.00 0.00 C ATOM 1722 C ALA B 11 -6.152 19.250 -2.836 1.00 0.00 C ATOM 1723 O ALA B 11 -6.388 20.412 -2.575 1.00 0.00 O ATOM 1724 CB ALA B 11 -4.050 18.818 -4.123 1.00 0.00 C ATOM 0 H ALA B 11 -4.400 16.629 -3.217 1.00 0.00 H new ATOM 0 HA ALA B 11 -4.195 19.239 -2.004 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -3.962 19.871 -4.389 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -3.056 18.373 -4.068 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -4.638 18.300 -4.881 1.00 0.00 H new ATOM 1730 N GLN B 12 -7.103 18.413 -3.157 1.00 0.00 N ATOM 1731 CA GLN B 12 -8.510 18.878 -3.205 1.00 0.00 C ATOM 1732 C GLN B 12 -9.135 18.650 -1.839 1.00 0.00 C ATOM 1733 O GLN B 12 -9.801 19.514 -1.301 1.00 0.00 O ATOM 1734 CB GLN B 12 -9.196 18.029 -4.278 1.00 0.00 C ATOM 1735 CG GLN B 12 -8.670 18.426 -5.659 1.00 0.00 C ATOM 1736 CD GLN B 12 -9.196 19.814 -6.026 1.00 0.00 C ATOM 1737 OE1 GLN B 12 -10.325 20.148 -5.725 1.00 0.00 O ATOM 1738 NE2 GLN B 12 -8.420 20.643 -6.668 1.00 0.00 N ATOM 0 H GLN B 12 -6.961 17.429 -3.387 1.00 0.00 H new ATOM 0 HA GLN B 12 -8.603 19.937 -3.445 1.00 0.00 H new ATOM 0 HB2 GLN B 12 -9.006 16.971 -4.096 1.00 0.00 H new ATOM 0 HB3 GLN B 12 -10.276 18.172 -4.234 1.00 0.00 H new ATOM 0 HG2 GLN B 12 -7.580 18.427 -5.658 1.00 0.00 H new ATOM 0 HG3 GLN B 12 -8.987 17.697 -6.404 1.00 0.00 H new ATOM 0 HE21 GLN B 12 -7.472 20.363 -6.921 1.00 0.00 H new ATOM 0 HE22 GLN B 12 -8.761 21.571 -6.917 1.00 0.00 H new ATOM 1747 N ASP B 13 -8.886 17.512 -1.242 1.00 0.00 N ATOM 1748 CA ASP B 13 -9.428 17.282 0.121 1.00 0.00 C ATOM 1749 C ASP B 13 -8.762 18.301 1.046 1.00 0.00 C ATOM 1750 O ASP B 13 -9.311 18.721 2.046 1.00 0.00 O ATOM 1751 CB ASP B 13 -9.037 15.854 0.483 1.00 0.00 C ATOM 1752 CG ASP B 13 -10.124 14.896 -0.012 1.00 0.00 C ATOM 1753 OD1 ASP B 13 -10.045 14.484 -1.157 1.00 0.00 O ATOM 1754 OD2 ASP B 13 -11.020 14.598 0.759 1.00 0.00 O ATOM 0 H ASP B 13 -8.339 16.746 -1.636 1.00 0.00 H new ATOM 0 HA ASP B 13 -10.509 17.400 0.198 1.00 0.00 H new ATOM 0 HB2 ASP B 13 -8.078 15.601 0.031 1.00 0.00 H new ATOM 0 HB3 ASP B 13 -8.915 15.759 1.562 1.00 0.00 H new ATOM 1759 N THR B 14 -7.585 18.732 0.666 1.00 0.00 N ATOM 1760 CA THR B 14 -6.857 19.762 1.445 1.00 0.00 C ATOM 1761 C THR B 14 -7.232 21.127 0.872 1.00 0.00 C ATOM 1762 O THR B 14 -8.012 21.863 1.443 1.00 0.00 O ATOM 1763 CB THR B 14 -5.370 19.478 1.204 1.00 0.00 C ATOM 1764 OG1 THR B 14 -5.156 19.225 -0.169 1.00 0.00 O ATOM 1765 CG2 THR B 14 -4.926 18.270 2.032 1.00 0.00 C ATOM 0 H THR B 14 -7.096 18.404 -0.166 1.00 0.00 H new ATOM 0 HA THR B 14 -7.092 19.748 2.509 1.00 0.00 H new ATOM 0 HB THR B 14 -4.784 20.346 1.507 1.00 0.00 H new ATOM 0 HG1 THR B 14 -5.617 18.399 -0.425 1.00 0.00 H new ATOM 0 HG21 THR B 14 -3.868 18.076 1.854 1.00 0.00 H new ATOM 0 HG22 THR B 14 -5.084 18.476 3.091 1.00 0.00 H new ATOM 0 HG23 THR B 14 -5.509 17.396 1.742 1.00 0.00 H new ATOM 1773 N GLY B 15 -6.689 21.455 -0.274 1.00 0.00 N ATOM 1774 CA GLY B 15 -7.023 22.764 -0.916 1.00 0.00 C ATOM 1775 C GLY B 15 -6.684 23.920 0.028 1.00 0.00 C ATOM 1776 O GLY B 15 -7.138 25.033 -0.150 1.00 0.00 O ATOM 0 H GLY B 15 -6.030 20.874 -0.792 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -6.468 22.872 -1.848 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -8.082 22.792 -1.171 1.00 0.00 H new ATOM 1780 N LEU B 16 -5.874 23.667 1.015 1.00 0.00 N ATOM 1781 CA LEU B 16 -5.482 24.758 1.962 1.00 0.00 C ATOM 1782 C LEU B 16 -4.440 25.623 1.293 1.00 0.00 C ATOM 1783 O LEU B 16 -4.590 26.819 1.139 1.00 0.00 O ATOM 1784 CB LEU B 16 -4.854 24.064 3.173 1.00 0.00 C ATOM 1785 CG LEU B 16 -5.864 23.117 3.806 1.00 0.00 C ATOM 1786 CD1 LEU B 16 -5.576 21.693 3.345 1.00 0.00 C ATOM 1787 CD2 LEU B 16 -5.749 23.178 5.334 1.00 0.00 C ATOM 0 H LEU B 16 -5.464 22.754 1.211 1.00 0.00 H new ATOM 0 HA LEU B 16 -6.332 25.376 2.250 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -3.966 23.511 2.867 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -4.531 24.807 3.903 1.00 0.00 H new ATOM 0 HG LEU B 16 -6.869 23.412 3.505 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -6.297 21.012 3.796 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -5.656 21.639 2.259 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -4.569 21.409 3.649 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -6.474 22.498 5.781 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -4.743 22.885 5.635 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -5.947 24.195 5.674 1.00 0.00 H new ATOM 1799 N THR B 17 -3.381 25.000 0.898 1.00 0.00 N ATOM 1800 CA THR B 17 -2.287 25.726 0.231 1.00 0.00 C ATOM 1801 C THR B 17 -1.701 24.847 -0.873 1.00 0.00 C ATOM 1802 O THR B 17 -0.684 25.166 -1.456 1.00 0.00 O ATOM 1803 CB THR B 17 -1.264 25.960 1.356 1.00 0.00 C ATOM 1804 OG1 THR B 17 -0.797 27.300 1.303 1.00 0.00 O ATOM 1805 CG2 THR B 17 -0.082 24.998 1.221 1.00 0.00 C ATOM 0 H THR B 17 -3.225 23.998 1.012 1.00 0.00 H new ATOM 0 HA THR B 17 -2.598 26.659 -0.239 1.00 0.00 H new ATOM 0 HB THR B 17 -1.752 25.778 2.314 1.00 0.00 H new ATOM 0 HG1 THR B 17 -0.147 27.448 2.021 1.00 0.00 H new ATOM 0 HG21 THR B 17 0.629 25.180 2.026 1.00 0.00 H new ATOM 0 HG22 THR B 17 -0.441 23.970 1.280 1.00 0.00 H new ATOM 0 HG23 THR B 17 0.409 25.157 0.261 1.00 0.00 H new ATOM 1813 N GLN B 18 -2.297 23.704 -1.122 1.00 0.00 N ATOM 1814 CA GLN B 18 -1.711 22.779 -2.127 1.00 0.00 C ATOM 1815 C GLN B 18 -0.297 22.469 -1.644 1.00 0.00 C ATOM 1816 O GLN B 18 0.585 22.149 -2.414 1.00 0.00 O ATOM 1817 CB GLN B 18 -1.693 23.534 -3.462 1.00 0.00 C ATOM 1818 CG GLN B 18 -3.015 24.281 -3.652 1.00 0.00 C ATOM 1819 CD GLN B 18 -3.371 24.326 -5.140 1.00 0.00 C ATOM 1820 OE1 GLN B 18 -2.820 25.112 -5.884 1.00 0.00 O ATOM 1821 NE2 GLN B 18 -4.275 23.510 -5.606 1.00 0.00 N ATOM 0 H GLN B 18 -3.155 23.380 -0.675 1.00 0.00 H new ATOM 0 HA GLN B 18 -2.266 21.849 -2.252 1.00 0.00 H new ATOM 0 HB2 GLN B 18 -0.861 24.238 -3.481 1.00 0.00 H new ATOM 0 HB3 GLN B 18 -1.538 22.835 -4.284 1.00 0.00 H new ATOM 0 HG2 GLN B 18 -3.808 23.785 -3.093 1.00 0.00 H new ATOM 0 HG3 GLN B 18 -2.932 25.293 -3.257 1.00 0.00 H new ATOM 0 HE21 GLN B 18 -4.737 22.850 -4.981 1.00 0.00 H new ATOM 0 HE22 GLN B 18 -4.520 23.532 -6.596 1.00 0.00 H new ATOM 1830 N VAL B 19 -0.106 22.593 -0.340 1.00 0.00 N ATOM 1831 CA VAL B 19 1.218 22.353 0.309 1.00 0.00 C ATOM 1832 C VAL B 19 2.288 22.194 -0.765 1.00 0.00 C ATOM 1833 O VAL B 19 2.759 23.164 -1.329 1.00 0.00 O ATOM 1834 CB VAL B 19 0.980 21.103 1.218 1.00 0.00 C ATOM 1835 CG1 VAL B 19 -0.034 20.151 0.584 1.00 0.00 C ATOM 1836 CG2 VAL B 19 2.257 20.311 1.535 1.00 0.00 C ATOM 0 H VAL B 19 -0.843 22.860 0.312 1.00 0.00 H new ATOM 0 HA VAL B 19 1.589 23.173 0.924 1.00 0.00 H new ATOM 0 HB VAL B 19 0.599 21.506 2.156 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -0.182 19.290 1.236 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -0.983 20.669 0.447 1.00 0.00 H new ATOM 0 HG13 VAL B 19 0.339 19.814 -0.383 1.00 0.00 H new ATOM 0 HG21 VAL B 19 2.009 19.460 2.169 1.00 0.00 H new ATOM 0 HG22 VAL B 19 2.703 19.954 0.607 1.00 0.00 H new ATOM 0 HG23 VAL B 19 2.966 20.956 2.054 1.00 0.00 H new ATOM 1846 N SER B 20 2.632 21.011 -1.086 1.00 0.00 N ATOM 1847 CA SER B 20 3.606 20.769 -2.146 1.00 0.00 C ATOM 1848 C SER B 20 3.072 19.630 -2.979 1.00 0.00 C ATOM 1849 O SER B 20 3.827 18.920 -3.580 1.00 0.00 O ATOM 1850 CB SER B 20 4.905 20.416 -1.443 1.00 0.00 C ATOM 1851 OG SER B 20 4.991 19.014 -1.290 1.00 0.00 O ATOM 0 H SER B 20 2.267 20.168 -0.643 1.00 0.00 H new ATOM 0 HA SER B 20 3.778 21.620 -2.806 1.00 0.00 H new ATOM 0 HB2 SER B 20 5.754 20.783 -2.020 1.00 0.00 H new ATOM 0 HB3 SER B 20 4.948 20.902 -0.468 1.00 0.00 H new ATOM 0 HG SER B 20 4.378 18.724 -0.583 1.00 0.00 H new ATOM 1857 N VAL B 21 1.768 19.422 -2.966 1.00 0.00 N ATOM 1858 CA VAL B 21 1.124 18.296 -3.711 1.00 0.00 C ATOM 1859 C VAL B 21 2.146 17.541 -4.529 1.00 0.00 C ATOM 1860 O VAL B 21 2.197 16.327 -4.552 1.00 0.00 O ATOM 1861 CB VAL B 21 0.098 18.968 -4.624 1.00 0.00 C ATOM 1862 CG1 VAL B 21 -1.014 19.591 -3.779 1.00 0.00 C ATOM 1863 CG2 VAL B 21 0.767 20.061 -5.465 1.00 0.00 C ATOM 0 H VAL B 21 1.110 20.008 -2.452 1.00 0.00 H new ATOM 0 HA VAL B 21 0.667 17.569 -3.039 1.00 0.00 H new ATOM 0 HB VAL B 21 -0.323 18.214 -5.289 1.00 0.00 H new ATOM 0 HG11 VAL B 21 -1.743 20.069 -4.433 1.00 0.00 H new ATOM 0 HG12 VAL B 21 -1.506 18.814 -3.194 1.00 0.00 H new ATOM 0 HG13 VAL B 21 -0.587 20.335 -3.107 1.00 0.00 H new ATOM 0 HG21 VAL B 21 0.024 20.530 -6.110 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.202 20.812 -4.806 1.00 0.00 H new ATOM 0 HG23 VAL B 21 1.552 19.619 -6.078 1.00 0.00 H new ATOM 1873 N SER B 22 2.995 18.274 -5.147 1.00 0.00 N ATOM 1874 CA SER B 22 4.069 17.646 -5.963 1.00 0.00 C ATOM 1875 C SER B 22 5.167 17.099 -5.057 1.00 0.00 C ATOM 1876 O SER B 22 5.719 16.054 -5.311 1.00 0.00 O ATOM 1877 CB SER B 22 4.604 18.763 -6.855 1.00 0.00 C ATOM 1878 OG SER B 22 5.002 18.216 -8.106 1.00 0.00 O ATOM 0 H SER B 22 3.003 19.294 -5.131 1.00 0.00 H new ATOM 0 HA SER B 22 3.701 16.806 -6.552 1.00 0.00 H new ATOM 0 HB2 SER B 22 3.837 19.523 -7.005 1.00 0.00 H new ATOM 0 HB3 SER B 22 5.450 19.254 -6.374 1.00 0.00 H new ATOM 0 HG SER B 22 5.344 18.931 -8.682 1.00 0.00 H new ATOM 1884 N LYS B 23 5.483 17.795 -4.004 1.00 0.00 N ATOM 1885 CA LYS B 23 6.540 17.313 -3.087 1.00 0.00 C ATOM 1886 C LYS B 23 5.960 16.412 -1.995 1.00 0.00 C ATOM 1887 O LYS B 23 6.618 15.491 -1.562 1.00 0.00 O ATOM 1888 CB LYS B 23 7.153 18.574 -2.483 1.00 0.00 C ATOM 1889 CG LYS B 23 8.628 18.674 -2.868 1.00 0.00 C ATOM 1890 CD LYS B 23 9.448 19.174 -1.669 1.00 0.00 C ATOM 1891 CE LYS B 23 8.710 20.323 -0.971 1.00 0.00 C ATOM 1892 NZ LYS B 23 9.774 21.297 -0.599 1.00 0.00 N ATOM 0 H LYS B 23 5.051 18.681 -3.741 1.00 0.00 H new ATOM 0 HA LYS B 23 7.281 16.710 -3.612 1.00 0.00 H new ATOM 0 HB2 LYS B 23 6.616 19.454 -2.836 1.00 0.00 H new ATOM 0 HB3 LYS B 23 7.052 18.553 -1.398 1.00 0.00 H new ATOM 0 HG2 LYS B 23 8.996 17.700 -3.190 1.00 0.00 H new ATOM 0 HG3 LYS B 23 8.748 19.355 -3.711 1.00 0.00 H new ATOM 0 HD2 LYS B 23 9.615 18.358 -0.966 1.00 0.00 H new ATOM 0 HD3 LYS B 23 10.429 19.511 -2.004 1.00 0.00 H new ATOM 0 HE2 LYS B 23 7.973 20.778 -1.633 1.00 0.00 H new ATOM 0 HE3 LYS B 23 8.173 19.970 -0.091 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 9.345 22.112 -0.116 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 10.458 20.838 0.037 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 10.263 21.621 -1.457 1.00 0.00 H new ATOM 1906 N MET B 24 4.745 16.632 -1.534 1.00 0.00 N ATOM 1907 CA MET B 24 4.238 15.713 -0.476 1.00 0.00 C ATOM 1908 C MET B 24 4.014 14.333 -1.091 1.00 0.00 C ATOM 1909 O MET B 24 4.299 13.329 -0.467 1.00 0.00 O ATOM 1910 CB MET B 24 2.937 16.280 0.142 1.00 0.00 C ATOM 1911 CG MET B 24 2.355 17.463 -0.642 1.00 0.00 C ATOM 1912 SD MET B 24 0.566 17.294 -0.669 1.00 0.00 S ATOM 1913 CE MET B 24 0.598 15.747 -1.593 1.00 0.00 C ATOM 0 H MET B 24 4.113 17.375 -1.832 1.00 0.00 H new ATOM 0 HA MET B 24 4.968 15.623 0.329 1.00 0.00 H new ATOM 0 HB2 MET B 24 2.192 15.486 0.193 1.00 0.00 H new ATOM 0 HB3 MET B 24 3.137 16.596 1.166 1.00 0.00 H new ATOM 0 HG2 MET B 24 2.641 18.406 -0.175 1.00 0.00 H new ATOM 0 HG3 MET B 24 2.751 17.477 -1.658 1.00 0.00 H new ATOM 0 HE1 MET B 24 -0.257 15.708 -2.268 1.00 0.00 H new ATOM 0 HE2 MET B 24 1.520 15.688 -2.172 1.00 0.00 H new ATOM 0 HE3 MET B 24 0.551 14.908 -0.899 1.00 0.00 H new ATOM 1923 N LEU B 25 3.540 14.250 -2.319 1.00 0.00 N ATOM 1924 CA LEU B 25 3.366 12.898 -2.916 1.00 0.00 C ATOM 1925 C LEU B 25 4.697 12.414 -3.490 1.00 0.00 C ATOM 1926 O LEU B 25 5.093 11.287 -3.269 1.00 0.00 O ATOM 1927 CB LEU B 25 2.303 13.044 -4.001 1.00 0.00 C ATOM 1928 CG LEU B 25 0.897 13.170 -3.378 1.00 0.00 C ATOM 1929 CD1 LEU B 25 -0.068 12.226 -4.101 1.00 0.00 C ATOM 1930 CD2 LEU B 25 0.902 12.799 -1.886 1.00 0.00 C ATOM 0 H LEU B 25 3.276 15.038 -2.910 1.00 0.00 H new ATOM 0 HA LEU B 25 3.053 12.159 -2.179 1.00 0.00 H new ATOM 0 HB2 LEU B 25 2.516 13.923 -4.609 1.00 0.00 H new ATOM 0 HB3 LEU B 25 2.335 12.181 -4.666 1.00 0.00 H new ATOM 0 HG LEU B 25 0.583 14.208 -3.483 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.061 12.315 -3.661 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -0.114 12.491 -5.157 1.00 0.00 H new ATOM 0 HD13 LEU B 25 0.283 11.199 -4.000 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -0.106 12.900 -1.483 1.00 0.00 H new ATOM 0 HD22 LEU B 25 1.238 11.769 -1.768 1.00 0.00 H new ATOM 0 HD23 LEU B 25 1.577 13.465 -1.348 1.00 0.00 H new ATOM 1942 N ALA B 26 5.415 13.255 -4.193 1.00 0.00 N ATOM 1943 CA ALA B 26 6.738 12.813 -4.727 1.00 0.00 C ATOM 1944 C ALA B 26 7.608 12.383 -3.549 1.00 0.00 C ATOM 1945 O ALA B 26 8.371 11.436 -3.626 1.00 0.00 O ATOM 1946 CB ALA B 26 7.343 14.030 -5.422 1.00 0.00 C ATOM 0 H ALA B 26 5.147 14.213 -4.417 1.00 0.00 H new ATOM 0 HA ALA B 26 6.655 11.977 -5.421 1.00 0.00 H new ATOM 0 HB1 ALA B 26 8.317 13.767 -5.835 1.00 0.00 H new ATOM 0 HB2 ALA B 26 6.684 14.355 -6.227 1.00 0.00 H new ATOM 0 HB3 ALA B 26 7.461 14.839 -4.701 1.00 0.00 H new ATOM 1952 N SER B 27 7.465 13.059 -2.440 1.00 0.00 N ATOM 1953 CA SER B 27 8.250 12.681 -1.239 1.00 0.00 C ATOM 1954 C SER B 27 7.551 11.519 -0.551 1.00 0.00 C ATOM 1955 O SER B 27 8.182 10.674 0.045 1.00 0.00 O ATOM 1956 CB SER B 27 8.269 13.914 -0.339 1.00 0.00 C ATOM 1957 OG SER B 27 9.171 13.690 0.737 1.00 0.00 O ATOM 0 H SER B 27 6.838 13.855 -2.318 1.00 0.00 H new ATOM 0 HA SER B 27 9.266 12.371 -1.481 1.00 0.00 H new ATOM 0 HB2 SER B 27 8.574 14.791 -0.909 1.00 0.00 H new ATOM 0 HB3 SER B 27 7.269 14.115 0.044 1.00 0.00 H new ATOM 0 HG SER B 27 9.961 14.260 0.626 1.00 0.00 H new ATOM 1963 N PHE B 28 6.245 11.460 -0.651 1.00 0.00 N ATOM 1964 CA PHE B 28 5.502 10.331 -0.022 1.00 0.00 C ATOM 1965 C PHE B 28 6.083 9.023 -0.529 1.00 0.00 C ATOM 1966 O PHE B 28 6.382 8.140 0.238 1.00 0.00 O ATOM 1967 CB PHE B 28 4.051 10.540 -0.448 1.00 0.00 C ATOM 1968 CG PHE B 28 3.348 9.235 -0.757 1.00 0.00 C ATOM 1969 CD1 PHE B 28 3.519 8.613 -2.002 1.00 0.00 C ATOM 1970 CD2 PHE B 28 2.462 8.686 0.177 1.00 0.00 C ATOM 1971 CE1 PHE B 28 2.806 7.458 -2.305 1.00 0.00 C ATOM 1972 CE2 PHE B 28 1.760 7.526 -0.124 1.00 0.00 C ATOM 1973 CZ PHE B 28 1.924 6.911 -1.367 1.00 0.00 C ATOM 0 H PHE B 28 5.666 12.143 -1.139 1.00 0.00 H new ATOM 0 HA PHE B 28 5.575 10.297 1.065 1.00 0.00 H new ATOM 0 HB2 PHE B 28 3.514 11.061 0.345 1.00 0.00 H new ATOM 0 HB3 PHE B 28 4.022 11.183 -1.328 1.00 0.00 H new ATOM 0 HD1 PHE B 28 4.204 9.031 -2.725 1.00 0.00 H new ATOM 0 HD2 PHE B 28 2.324 9.166 1.135 1.00 0.00 H new ATOM 0 HE1 PHE B 28 2.933 6.982 -3.266 1.00 0.00 H new ATOM 0 HE2 PHE B 28 1.086 7.099 0.604 1.00 0.00 H new ATOM 0 HZ PHE B 28 1.371 6.014 -1.604 1.00 0.00 H new ATOM 1983 N GLU B 29 6.321 8.907 -1.801 1.00 0.00 N ATOM 1984 CA GLU B 29 6.956 7.670 -2.282 1.00 0.00 C ATOM 1985 C GLU B 29 8.384 7.699 -1.775 1.00 0.00 C ATOM 1986 O GLU B 29 8.951 6.694 -1.401 1.00 0.00 O ATOM 1987 CB GLU B 29 6.922 7.729 -3.799 1.00 0.00 C ATOM 1988 CG GLU B 29 7.639 6.498 -4.340 1.00 0.00 C ATOM 1989 CD GLU B 29 8.674 6.918 -5.387 1.00 0.00 C ATOM 1990 OE1 GLU B 29 9.355 7.903 -5.157 1.00 0.00 O ATOM 1991 OE2 GLU B 29 8.768 6.245 -6.401 1.00 0.00 O ATOM 0 H GLU B 29 6.106 9.605 -2.513 1.00 0.00 H new ATOM 0 HA GLU B 29 6.462 6.760 -1.940 1.00 0.00 H new ATOM 0 HB2 GLU B 29 5.892 7.756 -4.155 1.00 0.00 H new ATOM 0 HB3 GLU B 29 7.407 8.638 -4.155 1.00 0.00 H new ATOM 0 HG2 GLU B 29 8.128 5.964 -3.526 1.00 0.00 H new ATOM 0 HG3 GLU B 29 6.918 5.811 -4.783 1.00 0.00 H new ATOM 1998 N LYS B 30 8.953 8.874 -1.718 1.00 0.00 N ATOM 1999 CA LYS B 30 10.325 8.991 -1.190 1.00 0.00 C ATOM 2000 C LYS B 30 10.312 8.574 0.274 1.00 0.00 C ATOM 2001 O LYS B 30 11.310 8.235 0.824 1.00 0.00 O ATOM 2002 CB LYS B 30 10.711 10.460 -1.333 1.00 0.00 C ATOM 2003 CG LYS B 30 12.234 10.583 -1.270 1.00 0.00 C ATOM 2004 CD LYS B 30 12.652 11.990 -1.704 1.00 0.00 C ATOM 2005 CE LYS B 30 14.003 12.344 -1.075 1.00 0.00 C ATOM 2006 NZ LYS B 30 14.930 12.517 -2.227 1.00 0.00 N ATOM 0 H LYS B 30 8.522 9.749 -2.015 1.00 0.00 H new ATOM 0 HA LYS B 30 11.037 8.358 -1.719 1.00 0.00 H new ATOM 0 HB2 LYS B 30 10.340 10.856 -2.278 1.00 0.00 H new ATOM 0 HB3 LYS B 30 10.253 11.049 -0.539 1.00 0.00 H new ATOM 0 HG2 LYS B 30 12.584 10.385 -0.257 1.00 0.00 H new ATOM 0 HG3 LYS B 30 12.697 9.839 -1.918 1.00 0.00 H new ATOM 0 HD2 LYS B 30 12.722 12.040 -2.791 1.00 0.00 H new ATOM 0 HD3 LYS B 30 11.897 12.715 -1.399 1.00 0.00 H new ATOM 0 HE2 LYS B 30 13.936 13.256 -0.482 1.00 0.00 H new ATOM 0 HE3 LYS B 30 14.347 11.554 -0.407 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 15.878 12.761 -1.876 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 14.979 11.631 -2.769 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 14.581 13.280 -2.842 1.00 0.00 H new ATOM 2020 N ILE B 31 9.175 8.553 0.905 1.00 0.00 N ATOM 2021 CA ILE B 31 9.147 8.103 2.320 1.00 0.00 C ATOM 2022 C ILE B 31 8.482 6.743 2.382 1.00 0.00 C ATOM 2023 O ILE B 31 8.771 5.938 3.233 1.00 0.00 O ATOM 2024 CB ILE B 31 8.392 9.142 3.138 1.00 0.00 C ATOM 2025 CG1 ILE B 31 7.176 9.677 2.404 1.00 0.00 C ATOM 2026 CG2 ILE B 31 9.339 10.290 3.480 1.00 0.00 C ATOM 2027 CD1 ILE B 31 5.926 9.028 3.002 1.00 0.00 C ATOM 0 H ILE B 31 8.275 8.824 0.509 1.00 0.00 H new ATOM 0 HA ILE B 31 10.152 8.007 2.731 1.00 0.00 H new ATOM 0 HB ILE B 31 8.033 8.660 4.047 1.00 0.00 H new ATOM 0 HG12 ILE B 31 7.123 10.762 2.499 1.00 0.00 H new ATOM 0 HG13 ILE B 31 7.247 9.453 1.340 1.00 0.00 H new ATOM 0 HG21 ILE B 31 8.806 11.039 4.066 1.00 0.00 H new ATOM 0 HG22 ILE B 31 10.180 9.908 4.058 1.00 0.00 H new ATOM 0 HG23 ILE B 31 9.708 10.744 2.560 1.00 0.00 H new ATOM 0 HD11 ILE B 31 5.041 9.401 2.487 1.00 0.00 H new ATOM 0 HD12 ILE B 31 5.986 7.946 2.884 1.00 0.00 H new ATOM 0 HD13 ILE B 31 5.860 9.274 4.062 1.00 0.00 H new ATOM 2039 N ILE B 32 7.640 6.454 1.442 1.00 0.00 N ATOM 2040 CA ILE B 32 7.022 5.108 1.419 1.00 0.00 C ATOM 2041 C ILE B 32 8.089 4.139 0.962 1.00 0.00 C ATOM 2042 O ILE B 32 8.447 3.197 1.650 1.00 0.00 O ATOM 2043 CB ILE B 32 5.878 5.138 0.410 1.00 0.00 C ATOM 2044 CG1 ILE B 32 4.876 6.240 0.792 1.00 0.00 C ATOM 2045 CG2 ILE B 32 5.192 3.765 0.432 1.00 0.00 C ATOM 2046 CD1 ILE B 32 3.565 5.632 1.291 1.00 0.00 C ATOM 0 H ILE B 32 7.353 7.084 0.693 1.00 0.00 H new ATOM 0 HA ILE B 32 6.638 4.812 2.395 1.00 0.00 H new ATOM 0 HB ILE B 32 6.255 5.352 -0.590 1.00 0.00 H new ATOM 0 HG12 ILE B 32 5.305 6.876 1.566 1.00 0.00 H new ATOM 0 HG13 ILE B 32 4.682 6.876 -0.071 1.00 0.00 H new ATOM 0 HG21 ILE B 32 4.368 3.758 -0.282 1.00 0.00 H new ATOM 0 HG22 ILE B 32 5.913 2.994 0.161 1.00 0.00 H new ATOM 0 HG23 ILE B 32 4.807 3.567 1.432 1.00 0.00 H new ATOM 0 HD11 ILE B 32 2.871 6.430 1.556 1.00 0.00 H new ATOM 0 HD12 ILE B 32 3.127 5.016 0.505 1.00 0.00 H new ATOM 0 HD13 ILE B 32 3.761 5.016 2.168 1.00 0.00 H new ATOM 2058 N THR B 33 8.631 4.400 -0.192 1.00 0.00 N ATOM 2059 CA THR B 33 9.704 3.540 -0.710 1.00 0.00 C ATOM 2060 C THR B 33 10.932 3.712 0.185 1.00 0.00 C ATOM 2061 O THR B 33 11.629 2.762 0.502 1.00 0.00 O ATOM 2062 CB THR B 33 9.955 4.043 -2.146 1.00 0.00 C ATOM 2063 OG1 THR B 33 9.591 3.037 -3.075 1.00 0.00 O ATOM 2064 CG2 THR B 33 11.428 4.401 -2.341 1.00 0.00 C ATOM 0 H THR B 33 8.369 5.179 -0.796 1.00 0.00 H new ATOM 0 HA THR B 33 9.460 2.478 -0.717 1.00 0.00 H new ATOM 0 HB THR B 33 9.350 4.935 -2.310 1.00 0.00 H new ATOM 0 HG1 THR B 33 8.617 3.024 -3.178 1.00 0.00 H new ATOM 0 HG21 THR B 33 11.585 4.754 -3.360 1.00 0.00 H new ATOM 0 HG22 THR B 33 11.708 5.186 -1.638 1.00 0.00 H new ATOM 0 HG23 THR B 33 12.043 3.519 -2.164 1.00 0.00 H new ATOM 2072 N GLU B 34 11.210 4.927 0.588 1.00 0.00 N ATOM 2073 CA GLU B 34 12.396 5.164 1.439 1.00 0.00 C ATOM 2074 C GLU B 34 12.184 4.697 2.886 1.00 0.00 C ATOM 2075 O GLU B 34 13.086 4.135 3.459 1.00 0.00 O ATOM 2076 CB GLU B 34 12.603 6.667 1.368 1.00 0.00 C ATOM 2077 CG GLU B 34 12.920 7.063 -0.091 1.00 0.00 C ATOM 2078 CD GLU B 34 14.193 6.351 -0.557 1.00 0.00 C ATOM 2079 OE1 GLU B 34 15.186 6.433 0.147 1.00 0.00 O ATOM 2080 OE2 GLU B 34 14.152 5.736 -1.609 1.00 0.00 O ATOM 0 H GLU B 34 10.663 5.757 0.361 1.00 0.00 H new ATOM 0 HA GLU B 34 13.262 4.598 1.094 1.00 0.00 H new ATOM 0 HB2 GLU B 34 11.709 7.187 1.713 1.00 0.00 H new ATOM 0 HB3 GLU B 34 13.420 6.966 2.025 1.00 0.00 H new ATOM 0 HG2 GLU B 34 12.085 6.797 -0.739 1.00 0.00 H new ATOM 0 HG3 GLU B 34 13.049 8.143 -0.165 1.00 0.00 H new ATOM 2087 N THR B 35 11.030 4.903 3.503 1.00 0.00 N ATOM 2088 CA THR B 35 10.895 4.424 4.923 1.00 0.00 C ATOM 2089 C THR B 35 11.118 2.932 4.974 1.00 0.00 C ATOM 2090 O THR B 35 11.900 2.450 5.772 1.00 0.00 O ATOM 2091 CB THR B 35 9.493 4.763 5.423 1.00 0.00 C ATOM 2092 OG1 THR B 35 9.343 6.174 5.493 1.00 0.00 O ATOM 2093 CG2 THR B 35 9.320 4.160 6.825 1.00 0.00 C ATOM 0 H THR B 35 10.212 5.362 3.103 1.00 0.00 H new ATOM 0 HA THR B 35 11.636 4.911 5.557 1.00 0.00 H new ATOM 0 HB THR B 35 8.743 4.358 4.744 1.00 0.00 H new ATOM 0 HG1 THR B 35 9.340 6.548 4.587 1.00 0.00 H new ATOM 0 HG21 THR B 35 8.323 4.392 7.200 1.00 0.00 H new ATOM 0 HG22 THR B 35 9.446 3.079 6.774 1.00 0.00 H new ATOM 0 HG23 THR B 35 10.068 4.581 7.497 1.00 0.00 H new ATOM 2101 N VAL B 36 10.471 2.186 4.127 1.00 0.00 N ATOM 2102 CA VAL B 36 10.715 0.724 4.150 1.00 0.00 C ATOM 2103 C VAL B 36 12.219 0.513 4.040 1.00 0.00 C ATOM 2104 O VAL B 36 12.804 -0.295 4.733 1.00 0.00 O ATOM 2105 CB VAL B 36 9.978 0.179 2.930 1.00 0.00 C ATOM 2106 CG1 VAL B 36 10.758 -0.985 2.310 1.00 0.00 C ATOM 2107 CG2 VAL B 36 8.597 -0.297 3.364 1.00 0.00 C ATOM 0 H VAL B 36 9.799 2.517 3.435 1.00 0.00 H new ATOM 0 HA VAL B 36 10.368 0.224 5.054 1.00 0.00 H new ATOM 0 HB VAL B 36 9.884 0.966 2.182 1.00 0.00 H new ATOM 0 HG11 VAL B 36 10.219 -1.362 1.441 1.00 0.00 H new ATOM 0 HG12 VAL B 36 11.745 -0.639 2.003 1.00 0.00 H new ATOM 0 HG13 VAL B 36 10.866 -1.783 3.045 1.00 0.00 H new ATOM 0 HG21 VAL B 36 8.059 -0.689 2.501 1.00 0.00 H new ATOM 0 HG22 VAL B 36 8.701 -1.081 4.114 1.00 0.00 H new ATOM 0 HG23 VAL B 36 8.041 0.539 3.789 1.00 0.00 H new ATOM 2117 N ALA B 37 12.845 1.274 3.189 1.00 0.00 N ATOM 2118 CA ALA B 37 14.310 1.163 3.048 1.00 0.00 C ATOM 2119 C ALA B 37 14.996 2.171 3.972 1.00 0.00 C ATOM 2120 O ALA B 37 16.191 2.383 3.911 1.00 0.00 O ATOM 2121 CB ALA B 37 14.592 1.474 1.600 1.00 0.00 C ATOM 0 H ALA B 37 12.400 1.967 2.587 1.00 0.00 H new ATOM 0 HA ALA B 37 14.685 0.177 3.322 1.00 0.00 H new ATOM 0 HB1 ALA B 37 15.665 1.411 1.417 1.00 0.00 H new ATOM 0 HB2 ALA B 37 14.073 0.755 0.966 1.00 0.00 H new ATOM 0 HB3 ALA B 37 14.243 2.480 1.369 1.00 0.00 H new ATOM 2127 N LYS B 38 14.250 2.759 4.858 1.00 0.00 N ATOM 2128 CA LYS B 38 14.860 3.704 5.834 1.00 0.00 C ATOM 2129 C LYS B 38 14.925 2.976 7.156 1.00 0.00 C ATOM 2130 O LYS B 38 15.805 3.191 7.966 1.00 0.00 O ATOM 2131 CB LYS B 38 13.941 4.921 5.933 1.00 0.00 C ATOM 2132 CG LYS B 38 14.743 6.127 6.429 1.00 0.00 C ATOM 2133 CD LYS B 38 15.631 6.653 5.299 1.00 0.00 C ATOM 2134 CE LYS B 38 14.753 7.154 4.149 1.00 0.00 C ATOM 2135 NZ LYS B 38 15.399 8.415 3.692 1.00 0.00 N ATOM 0 H LYS B 38 13.243 2.628 4.951 1.00 0.00 H new ATOM 0 HA LYS B 38 15.857 4.034 5.541 1.00 0.00 H new ATOM 0 HB2 LYS B 38 13.502 5.138 4.959 1.00 0.00 H new ATOM 0 HB3 LYS B 38 13.117 4.713 6.615 1.00 0.00 H new ATOM 0 HG2 LYS B 38 14.067 6.911 6.769 1.00 0.00 H new ATOM 0 HG3 LYS B 38 15.356 5.842 7.284 1.00 0.00 H new ATOM 0 HD2 LYS B 38 16.264 7.461 5.666 1.00 0.00 H new ATOM 0 HD3 LYS B 38 16.295 5.863 4.946 1.00 0.00 H new ATOM 0 HE2 LYS B 38 14.703 6.422 3.343 1.00 0.00 H new ATOM 0 HE3 LYS B 38 13.731 7.333 4.482 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 14.854 8.819 2.904 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 15.427 9.095 4.478 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 16.369 8.213 3.374 1.00 0.00 H new ATOM 2149 N GLY B 39 14.004 2.074 7.357 1.00 0.00 N ATOM 2150 CA GLY B 39 14.013 1.285 8.593 1.00 0.00 C ATOM 2151 C GLY B 39 12.631 1.276 9.249 1.00 0.00 C ATOM 2152 O GLY B 39 12.523 1.256 10.459 1.00 0.00 O ATOM 0 H GLY B 39 13.248 1.858 6.708 1.00 0.00 H new ATOM 0 HA2 GLY B 39 14.322 0.263 8.374 1.00 0.00 H new ATOM 0 HA3 GLY B 39 14.746 1.698 9.286 1.00 0.00 H new ATOM 2156 N ASP B 40 11.570 1.282 8.479 1.00 0.00 N ATOM 2157 CA ASP B 40 10.218 1.265 9.114 1.00 0.00 C ATOM 2158 C ASP B 40 9.198 0.578 8.202 1.00 0.00 C ATOM 2159 O ASP B 40 9.516 0.132 7.117 1.00 0.00 O ATOM 2160 CB ASP B 40 9.856 2.736 9.323 1.00 0.00 C ATOM 2161 CG ASP B 40 9.892 3.066 10.816 1.00 0.00 C ATOM 2162 OD1 ASP B 40 10.982 3.165 11.355 1.00 0.00 O ATOM 2163 OD2 ASP B 40 8.829 3.216 11.396 1.00 0.00 O ATOM 0 H ASP B 40 11.580 1.298 7.459 1.00 0.00 H new ATOM 0 HA ASP B 40 10.216 0.709 10.051 1.00 0.00 H new ATOM 0 HB2 ASP B 40 10.556 3.373 8.782 1.00 0.00 H new ATOM 0 HB3 ASP B 40 8.864 2.938 8.919 1.00 0.00 H new ATOM 2168 N LYS B 41 7.974 0.494 8.644 1.00 0.00 N ATOM 2169 CA LYS B 41 6.915 -0.155 7.824 1.00 0.00 C ATOM 2170 C LYS B 41 5.674 0.734 7.815 1.00 0.00 C ATOM 2171 O LYS B 41 5.039 0.943 8.830 1.00 0.00 O ATOM 2172 CB LYS B 41 6.626 -1.482 8.526 1.00 0.00 C ATOM 2173 CG LYS B 41 7.874 -2.366 8.481 1.00 0.00 C ATOM 2174 CD LYS B 41 7.628 -3.642 9.290 1.00 0.00 C ATOM 2175 CE LYS B 41 8.156 -3.456 10.714 1.00 0.00 C ATOM 2176 NZ LYS B 41 6.950 -3.161 11.537 1.00 0.00 N ATOM 0 H LYS B 41 7.660 0.851 9.547 1.00 0.00 H new ATOM 0 HA LYS B 41 7.215 -0.310 6.788 1.00 0.00 H new ATOM 0 HB2 LYS B 41 6.332 -1.302 9.560 1.00 0.00 H new ATOM 0 HB3 LYS B 41 5.791 -1.988 8.041 1.00 0.00 H new ATOM 0 HG2 LYS B 41 8.116 -2.619 7.449 1.00 0.00 H new ATOM 0 HG3 LYS B 41 8.730 -1.826 8.886 1.00 0.00 H new ATOM 0 HD2 LYS B 41 6.562 -3.870 9.313 1.00 0.00 H new ATOM 0 HD3 LYS B 41 8.125 -4.488 8.815 1.00 0.00 H new ATOM 0 HE2 LYS B 41 8.665 -4.353 11.067 1.00 0.00 H new ATOM 0 HE3 LYS B 41 8.877 -2.640 10.764 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 7.141 -3.401 12.531 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 6.718 -2.150 11.463 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 6.148 -3.726 11.192 1.00 0.00 H new ATOM 2190 N VAL B 42 5.335 1.271 6.680 1.00 0.00 N ATOM 2191 CA VAL B 42 4.142 2.163 6.597 1.00 0.00 C ATOM 2192 C VAL B 42 2.874 1.400 6.988 1.00 0.00 C ATOM 2193 O VAL B 42 2.697 0.251 6.637 1.00 0.00 O ATOM 2194 CB VAL B 42 4.073 2.603 5.134 1.00 0.00 C ATOM 2195 CG1 VAL B 42 2.887 3.548 4.940 1.00 0.00 C ATOM 2196 CG2 VAL B 42 5.366 3.327 4.756 1.00 0.00 C ATOM 0 H VAL B 42 5.833 1.132 5.801 1.00 0.00 H new ATOM 0 HA VAL B 42 4.220 3.013 7.275 1.00 0.00 H new ATOM 0 HB VAL B 42 3.948 1.726 4.499 1.00 0.00 H new ATOM 0 HG11 VAL B 42 2.838 3.861 3.897 1.00 0.00 H new ATOM 0 HG12 VAL B 42 1.964 3.033 5.208 1.00 0.00 H new ATOM 0 HG13 VAL B 42 3.012 4.424 5.577 1.00 0.00 H new ATOM 0 HG21 VAL B 42 5.316 3.640 3.713 1.00 0.00 H new ATOM 0 HG22 VAL B 42 5.492 4.203 5.392 1.00 0.00 H new ATOM 0 HG23 VAL B 42 6.213 2.655 4.893 1.00 0.00 H new ATOM 2206 N GLN B 43 1.989 2.039 7.707 1.00 0.00 N ATOM 2207 CA GLN B 43 0.725 1.361 8.118 1.00 0.00 C ATOM 2208 C GLN B 43 -0.444 2.343 8.026 1.00 0.00 C ATOM 2209 O GLN B 43 -0.839 2.943 9.006 1.00 0.00 O ATOM 2210 CB GLN B 43 0.945 0.935 9.572 1.00 0.00 C ATOM 2211 CG GLN B 43 2.166 0.019 9.662 1.00 0.00 C ATOM 2212 CD GLN B 43 2.090 -0.812 10.944 1.00 0.00 C ATOM 2213 OE1 GLN B 43 3.029 -0.846 11.715 1.00 0.00 O ATOM 2214 NE2 GLN B 43 1.004 -1.487 11.210 1.00 0.00 N ATOM 0 H GLN B 43 2.087 3.002 8.028 1.00 0.00 H new ATOM 0 HA GLN B 43 0.489 0.510 7.479 1.00 0.00 H new ATOM 0 HB2 GLN B 43 1.091 1.814 10.200 1.00 0.00 H new ATOM 0 HB3 GLN B 43 0.062 0.418 9.947 1.00 0.00 H new ATOM 0 HG2 GLN B 43 2.206 -0.638 8.793 1.00 0.00 H new ATOM 0 HG3 GLN B 43 3.080 0.613 9.655 1.00 0.00 H new ATOM 0 HE21 GLN B 43 0.215 -1.459 10.564 1.00 0.00 H new ATOM 0 HE22 GLN B 43 0.945 -2.042 12.064 1.00 0.00 H new ATOM 2223 N LEU B 44 -0.999 2.514 6.858 1.00 0.00 N ATOM 2224 CA LEU B 44 -2.137 3.457 6.698 1.00 0.00 C ATOM 2225 C LEU B 44 -3.308 3.043 7.581 1.00 0.00 C ATOM 2226 O LEU B 44 -3.876 1.987 7.403 1.00 0.00 O ATOM 2227 CB LEU B 44 -2.527 3.347 5.227 1.00 0.00 C ATOM 2228 CG LEU B 44 -1.875 4.484 4.455 1.00 0.00 C ATOM 2229 CD1 LEU B 44 -1.949 4.203 2.950 1.00 0.00 C ATOM 2230 CD2 LEU B 44 -2.620 5.775 4.778 1.00 0.00 C ATOM 0 H LEU B 44 -0.710 2.037 6.004 1.00 0.00 H new ATOM 0 HA LEU B 44 -1.868 4.473 6.986 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -2.207 2.386 4.824 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -3.611 3.393 5.120 1.00 0.00 H new ATOM 0 HG LEU B 44 -0.827 4.576 4.740 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -1.480 5.021 2.404 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -1.427 3.272 2.728 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -2.992 4.115 2.647 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -2.166 6.603 4.233 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.665 5.676 4.483 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -2.562 5.970 5.849 1.00 0.00 H new ATOM 2242 N THR B 45 -3.677 3.886 8.518 1.00 0.00 N ATOM 2243 CA THR B 45 -4.834 3.584 9.430 1.00 0.00 C ATOM 2244 C THR B 45 -5.080 2.068 9.544 1.00 0.00 C ATOM 2245 O THR B 45 -4.483 1.401 10.365 1.00 0.00 O ATOM 2246 CB THR B 45 -6.041 4.306 8.802 1.00 0.00 C ATOM 2247 OG1 THR B 45 -7.241 3.683 9.237 1.00 0.00 O ATOM 2248 CG2 THR B 45 -5.964 4.251 7.270 1.00 0.00 C ATOM 0 H THR B 45 -3.222 4.782 8.693 1.00 0.00 H new ATOM 0 HA THR B 45 -4.646 3.925 10.448 1.00 0.00 H new ATOM 0 HB THR B 45 -6.029 5.350 9.116 1.00 0.00 H new ATOM 0 HG1 THR B 45 -8.011 4.166 8.871 1.00 0.00 H new ATOM 0 HG21 THR B 45 -6.825 4.766 6.844 1.00 0.00 H new ATOM 0 HG22 THR B 45 -5.048 4.736 6.934 1.00 0.00 H new ATOM 0 HG23 THR B 45 -5.965 3.211 6.943 1.00 0.00 H new ATOM 2256 N GLY B 46 -5.942 1.520 8.725 1.00 0.00 N ATOM 2257 CA GLY B 46 -6.204 0.059 8.791 1.00 0.00 C ATOM 2258 C GLY B 46 -6.505 -0.473 7.388 1.00 0.00 C ATOM 2259 O GLY B 46 -7.459 -1.202 7.189 1.00 0.00 O ATOM 0 H GLY B 46 -6.473 2.025 8.015 1.00 0.00 H new ATOM 0 HA2 GLY B 46 -5.340 -0.457 9.209 1.00 0.00 H new ATOM 0 HA3 GLY B 46 -7.046 -0.140 9.455 1.00 0.00 H new ATOM 2263 N PHE B 47 -5.696 -0.137 6.410 1.00 0.00 N ATOM 2264 CA PHE B 47 -5.954 -0.657 5.038 1.00 0.00 C ATOM 2265 C PHE B 47 -4.658 -0.790 4.230 1.00 0.00 C ATOM 2266 O PHE B 47 -4.477 -1.757 3.521 1.00 0.00 O ATOM 2267 CB PHE B 47 -6.971 0.299 4.385 1.00 0.00 C ATOM 2268 CG PHE B 47 -6.343 1.602 3.924 1.00 0.00 C ATOM 2269 CD1 PHE B 47 -5.705 1.688 2.676 1.00 0.00 C ATOM 2270 CD2 PHE B 47 -6.438 2.745 4.729 1.00 0.00 C ATOM 2271 CE1 PHE B 47 -5.166 2.903 2.253 1.00 0.00 C ATOM 2272 CE2 PHE B 47 -5.900 3.956 4.295 1.00 0.00 C ATOM 2273 CZ PHE B 47 -5.266 4.033 3.061 1.00 0.00 C ATOM 0 H PHE B 47 -4.880 0.467 6.505 1.00 0.00 H new ATOM 0 HA PHE B 47 -6.364 -1.666 5.072 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -7.434 -0.198 3.532 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -7.767 0.517 5.097 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -5.632 0.815 2.045 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -6.930 2.688 5.689 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -4.670 2.968 1.296 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -5.976 4.835 4.918 1.00 0.00 H new ATOM 0 HZ PHE B 47 -4.849 4.972 2.727 1.00 0.00 H new ATOM 2283 N LEU B 48 -3.748 0.141 4.333 1.00 0.00 N ATOM 2284 CA LEU B 48 -2.475 0.013 3.559 1.00 0.00 C ATOM 2285 C LEU B 48 -1.275 -0.100 4.516 1.00 0.00 C ATOM 2286 O LEU B 48 -0.885 0.850 5.155 1.00 0.00 O ATOM 2287 CB LEU B 48 -2.402 1.288 2.709 1.00 0.00 C ATOM 2288 CG LEU B 48 -2.791 1.038 1.226 1.00 0.00 C ATOM 2289 CD1 LEU B 48 -1.571 1.251 0.327 1.00 0.00 C ATOM 2290 CD2 LEU B 48 -3.330 -0.381 1.000 1.00 0.00 C ATOM 0 H LEU B 48 -3.827 0.977 4.912 1.00 0.00 H new ATOM 0 HA LEU B 48 -2.449 -0.882 2.938 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -3.065 2.042 3.133 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -1.391 1.692 2.753 1.00 0.00 H new ATOM 0 HG LEU B 48 -3.581 1.746 0.976 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -1.849 1.074 -0.712 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -1.212 2.274 0.438 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -0.782 0.556 0.614 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -3.589 -0.509 -0.051 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -2.567 -1.108 1.277 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -4.218 -0.535 1.613 1.00 0.00 H new ATOM 2302 N ASN B 49 -0.690 -1.266 4.617 1.00 0.00 N ATOM 2303 CA ASN B 49 0.474 -1.465 5.531 1.00 0.00 C ATOM 2304 C ASN B 49 1.667 -2.019 4.766 1.00 0.00 C ATOM 2305 O ASN B 49 1.756 -3.204 4.540 1.00 0.00 O ATOM 2306 CB ASN B 49 -0.016 -2.514 6.507 1.00 0.00 C ATOM 2307 CG ASN B 49 -0.215 -1.894 7.890 1.00 0.00 C ATOM 2308 OD1 ASN B 49 0.502 -2.211 8.817 1.00 0.00 O ATOM 2309 ND2 ASN B 49 -1.167 -1.019 8.069 1.00 0.00 N ATOM 0 H ASN B 49 -0.973 -2.098 4.099 1.00 0.00 H new ATOM 0 HA ASN B 49 0.795 -0.537 6.004 1.00 0.00 H new ATOM 0 HB2 ASN B 49 -0.954 -2.941 6.153 1.00 0.00 H new ATOM 0 HB3 ASN B 49 0.703 -3.331 6.566 1.00 0.00 H new ATOM 0 HD21 ASN B 49 -1.309 -0.601 8.988 1.00 0.00 H new ATOM 0 HD22 ASN B 49 -1.769 -0.753 7.289 1.00 0.00 H new ATOM 2316 N ILE B 50 2.575 -1.184 4.369 1.00 0.00 N ATOM 2317 CA ILE B 50 3.750 -1.675 3.603 1.00 0.00 C ATOM 2318 C ILE B 50 4.881 -2.084 4.544 1.00 0.00 C ATOM 2319 O ILE B 50 5.103 -1.469 5.569 1.00 0.00 O ATOM 2320 CB ILE B 50 4.131 -0.487 2.710 1.00 0.00 C ATOM 2321 CG1 ILE B 50 4.241 -0.961 1.260 1.00 0.00 C ATOM 2322 CG2 ILE B 50 5.453 0.130 3.148 1.00 0.00 C ATOM 2323 CD1 ILE B 50 5.378 -1.976 1.131 1.00 0.00 C ATOM 0 H ILE B 50 2.557 -0.179 4.541 1.00 0.00 H new ATOM 0 HA ILE B 50 3.538 -2.569 3.016 1.00 0.00 H new ATOM 0 HB ILE B 50 3.356 0.274 2.798 1.00 0.00 H new ATOM 0 HG12 ILE B 50 3.301 -1.412 0.943 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.424 -0.111 0.603 1.00 0.00 H new ATOM 0 HG21 ILE B 50 5.696 0.969 2.496 1.00 0.00 H new ATOM 0 HG22 ILE B 50 5.367 0.482 4.176 1.00 0.00 H new ATOM 0 HG23 ILE B 50 6.243 -0.619 3.085 1.00 0.00 H new ATOM 0 HD11 ILE B 50 5.452 -2.310 0.096 1.00 0.00 H new ATOM 0 HD12 ILE B 50 6.317 -1.510 1.430 1.00 0.00 H new ATOM 0 HD13 ILE B 50 5.177 -2.832 1.775 1.00 0.00 H new ATOM 2335 N LYS B 51 5.605 -3.118 4.200 1.00 0.00 N ATOM 2336 CA LYS B 51 6.730 -3.553 5.083 1.00 0.00 C ATOM 2337 C LYS B 51 7.719 -4.412 4.288 1.00 0.00 C ATOM 2338 O LYS B 51 7.318 -5.245 3.501 1.00 0.00 O ATOM 2339 CB LYS B 51 6.085 -4.354 6.221 1.00 0.00 C ATOM 2340 CG LYS B 51 5.276 -5.521 5.655 1.00 0.00 C ATOM 2341 CD LYS B 51 6.111 -6.804 5.704 1.00 0.00 C ATOM 2342 CE LYS B 51 6.397 -7.191 7.160 1.00 0.00 C ATOM 2343 NZ LYS B 51 5.057 -7.361 7.792 1.00 0.00 N ATOM 0 H LYS B 51 5.469 -3.675 3.356 1.00 0.00 H new ATOM 0 HA LYS B 51 7.294 -2.707 5.476 1.00 0.00 H new ATOM 0 HB2 LYS B 51 6.856 -4.729 6.893 1.00 0.00 H new ATOM 0 HB3 LYS B 51 5.437 -3.705 6.810 1.00 0.00 H new ATOM 0 HG2 LYS B 51 4.358 -5.651 6.229 1.00 0.00 H new ATOM 0 HG3 LYS B 51 4.982 -5.307 4.628 1.00 0.00 H new ATOM 0 HD2 LYS B 51 5.579 -7.613 5.202 1.00 0.00 H new ATOM 0 HD3 LYS B 51 7.048 -6.658 5.167 1.00 0.00 H new ATOM 0 HE2 LYS B 51 6.978 -8.112 7.216 1.00 0.00 H new ATOM 0 HE3 LYS B 51 6.976 -6.418 7.666 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 5.094 -8.140 8.480 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 4.789 -6.482 8.279 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 4.353 -7.580 7.059 1.00 0.00 H new ATOM 2357 N PRO B 52 8.988 -4.156 4.494 1.00 0.00 N ATOM 2358 CA PRO B 52 10.040 -4.888 3.762 1.00 0.00 C ATOM 2359 C PRO B 52 10.477 -6.163 4.482 1.00 0.00 C ATOM 2360 O PRO B 52 10.574 -6.212 5.692 1.00 0.00 O ATOM 2361 CB PRO B 52 11.197 -3.903 3.754 1.00 0.00 C ATOM 2362 CG PRO B 52 10.994 -3.029 4.956 1.00 0.00 C ATOM 2363 CD PRO B 52 9.562 -3.169 5.410 1.00 0.00 C ATOM 0 HA PRO B 52 9.697 -5.205 2.777 1.00 0.00 H new ATOM 0 HB2 PRO B 52 12.154 -4.423 3.805 1.00 0.00 H new ATOM 0 HB3 PRO B 52 11.203 -3.313 2.837 1.00 0.00 H new ATOM 0 HG2 PRO B 52 11.675 -3.319 5.756 1.00 0.00 H new ATOM 0 HG3 PRO B 52 11.214 -1.990 4.711 1.00 0.00 H new ATOM 0 HD2 PRO B 52 9.504 -3.506 6.445 1.00 0.00 H new ATOM 0 HD3 PRO B 52 9.032 -2.218 5.354 1.00 0.00 H new ATOM 2371 N VAL B 53 10.795 -7.176 3.726 1.00 0.00 N ATOM 2372 CA VAL B 53 11.293 -8.445 4.331 1.00 0.00 C ATOM 2373 C VAL B 53 12.354 -9.065 3.426 1.00 0.00 C ATOM 2374 O VAL B 53 12.084 -9.477 2.321 1.00 0.00 O ATOM 2375 CB VAL B 53 10.088 -9.363 4.479 1.00 0.00 C ATOM 2376 CG1 VAL B 53 9.051 -8.702 5.390 1.00 0.00 C ATOM 2377 CG2 VAL B 53 9.467 -9.628 3.106 1.00 0.00 C ATOM 0 H VAL B 53 10.731 -7.180 2.708 1.00 0.00 H new ATOM 0 HA VAL B 53 11.757 -8.274 5.302 1.00 0.00 H new ATOM 0 HB VAL B 53 10.408 -10.308 4.917 1.00 0.00 H new ATOM 0 HG11 VAL B 53 8.188 -9.359 5.496 1.00 0.00 H new ATOM 0 HG12 VAL B 53 9.491 -8.520 6.370 1.00 0.00 H new ATOM 0 HG13 VAL B 53 8.734 -7.755 4.953 1.00 0.00 H new ATOM 0 HG21 VAL B 53 8.605 -10.286 3.217 1.00 0.00 H new ATOM 0 HG22 VAL B 53 9.149 -8.685 2.662 1.00 0.00 H new ATOM 0 HG23 VAL B 53 10.204 -10.103 2.459 1.00 0.00 H new ATOM 2387 N ALA B 54 13.568 -9.104 3.891 1.00 0.00 N ATOM 2388 CA ALA B 54 14.685 -9.653 3.062 1.00 0.00 C ATOM 2389 C ALA B 54 14.307 -10.965 2.365 1.00 0.00 C ATOM 2390 O ALA B 54 13.992 -11.959 2.990 1.00 0.00 O ATOM 2391 CB ALA B 54 15.852 -9.864 4.031 1.00 0.00 C ATOM 0 H ALA B 54 13.842 -8.777 4.818 1.00 0.00 H new ATOM 0 HA ALA B 54 14.940 -8.964 2.257 1.00 0.00 H new ATOM 0 HB1 ALA B 54 16.707 -10.266 3.488 1.00 0.00 H new ATOM 0 HB2 ALA B 54 16.125 -8.911 4.484 1.00 0.00 H new ATOM 0 HB3 ALA B 54 15.555 -10.565 4.811 1.00 0.00 H new ATOM 2710 N VAL B 75 15.262 -6.811 -0.882 1.00 0.00 N ATOM 2711 CA VAL B 75 14.289 -6.890 0.250 1.00 0.00 C ATOM 2712 C VAL B 75 13.002 -7.568 -0.231 1.00 0.00 C ATOM 2713 O VAL B 75 12.864 -7.875 -1.400 1.00 0.00 O ATOM 2714 CB VAL B 75 14.044 -5.434 0.665 1.00 0.00 C ATOM 2715 CG1 VAL B 75 13.142 -4.728 -0.355 1.00 0.00 C ATOM 2716 CG2 VAL B 75 13.378 -5.397 2.040 1.00 0.00 C ATOM 0 HA VAL B 75 14.656 -7.478 1.091 1.00 0.00 H new ATOM 0 HB VAL B 75 15.003 -4.918 0.705 1.00 0.00 H new ATOM 0 HG11 VAL B 75 12.979 -3.696 -0.044 1.00 0.00 H new ATOM 0 HG12 VAL B 75 13.621 -4.741 -1.334 1.00 0.00 H new ATOM 0 HG13 VAL B 75 12.184 -5.245 -0.413 1.00 0.00 H new ATOM 0 HG21 VAL B 75 13.205 -4.361 2.333 1.00 0.00 H new ATOM 0 HG22 VAL B 75 12.426 -5.926 1.997 1.00 0.00 H new ATOM 0 HG23 VAL B 75 14.027 -5.877 2.772 1.00 0.00 H new ATOM 2726 N GLY B 76 12.061 -7.816 0.640 1.00 0.00 N ATOM 2727 CA GLY B 76 10.813 -8.484 0.180 1.00 0.00 C ATOM 2728 C GLY B 76 9.621 -7.569 0.416 1.00 0.00 C ATOM 2729 O GLY B 76 8.596 -7.998 0.901 1.00 0.00 O ATOM 0 H GLY B 76 12.101 -7.589 1.634 1.00 0.00 H new ATOM 0 HA2 GLY B 76 10.890 -8.730 -0.879 1.00 0.00 H new ATOM 0 HA3 GLY B 76 10.674 -9.423 0.716 1.00 0.00 H new ATOM 2733 N VAL B 77 9.755 -6.312 0.073 1.00 0.00 N ATOM 2734 CA VAL B 77 8.642 -5.333 0.258 1.00 0.00 C ATOM 2735 C VAL B 77 7.286 -6.033 0.190 1.00 0.00 C ATOM 2736 O VAL B 77 6.713 -6.193 -0.868 1.00 0.00 O ATOM 2737 CB VAL B 77 8.784 -4.342 -0.902 1.00 0.00 C ATOM 2738 CG1 VAL B 77 8.774 -5.092 -2.238 1.00 0.00 C ATOM 2739 CG2 VAL B 77 7.613 -3.354 -0.873 1.00 0.00 C ATOM 0 H VAL B 77 10.603 -5.918 -0.334 1.00 0.00 H new ATOM 0 HA VAL B 77 8.694 -4.843 1.230 1.00 0.00 H new ATOM 0 HB VAL B 77 9.727 -3.805 -0.797 1.00 0.00 H new ATOM 0 HG11 VAL B 77 8.875 -4.379 -3.056 1.00 0.00 H new ATOM 0 HG12 VAL B 77 9.605 -5.797 -2.266 1.00 0.00 H new ATOM 0 HG13 VAL B 77 7.834 -5.634 -2.344 1.00 0.00 H new ATOM 0 HG21 VAL B 77 7.712 -2.648 -1.698 1.00 0.00 H new ATOM 0 HG22 VAL B 77 6.674 -3.899 -0.973 1.00 0.00 H new ATOM 0 HG23 VAL B 77 7.618 -2.811 0.072 1.00 0.00 H new ATOM 2749 N SER B 78 6.785 -6.459 1.313 1.00 0.00 N ATOM 2750 CA SER B 78 5.463 -7.158 1.321 1.00 0.00 C ATOM 2751 C SER B 78 4.400 -6.230 0.714 1.00 0.00 C ATOM 2752 O SER B 78 4.543 -5.800 -0.414 1.00 0.00 O ATOM 2753 CB SER B 78 5.178 -7.458 2.792 1.00 0.00 C ATOM 2754 OG SER B 78 6.098 -8.439 3.255 1.00 0.00 O ATOM 0 H SER B 78 7.229 -6.356 2.226 1.00 0.00 H new ATOM 0 HA SER B 78 5.457 -8.075 0.732 1.00 0.00 H new ATOM 0 HB2 SER B 78 5.269 -6.548 3.385 1.00 0.00 H new ATOM 0 HB3 SER B 78 4.155 -7.816 2.911 1.00 0.00 H new ATOM 0 HG SER B 78 5.619 -9.115 3.778 1.00 0.00 H new ATOM 2760 N VAL B 79 3.340 -5.897 1.410 1.00 0.00 N ATOM 2761 CA VAL B 79 2.345 -4.988 0.766 1.00 0.00 C ATOM 2762 C VAL B 79 1.642 -4.091 1.757 1.00 0.00 C ATOM 2763 O VAL B 79 2.023 -3.966 2.893 1.00 0.00 O ATOM 2764 CB VAL B 79 1.303 -5.871 0.086 1.00 0.00 C ATOM 2765 CG1 VAL B 79 1.988 -6.948 -0.747 1.00 0.00 C ATOM 2766 CG2 VAL B 79 0.417 -6.520 1.157 1.00 0.00 C ATOM 0 H VAL B 79 3.126 -6.202 2.360 1.00 0.00 H new ATOM 0 HA VAL B 79 2.872 -4.340 0.065 1.00 0.00 H new ATOM 0 HB VAL B 79 0.688 -5.261 -0.576 1.00 0.00 H new ATOM 0 HG11 VAL B 79 1.234 -7.571 -1.227 1.00 0.00 H new ATOM 0 HG12 VAL B 79 2.609 -6.478 -1.509 1.00 0.00 H new ATOM 0 HG13 VAL B 79 2.612 -7.566 -0.101 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -0.330 -7.152 0.677 1.00 0.00 H new ATOM 0 HG22 VAL B 79 1.033 -7.126 1.821 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -0.083 -5.743 1.735 1.00 0.00 H new ATOM 2776 N LYS B 80 0.616 -3.450 1.279 1.00 0.00 N ATOM 2777 CA LYS B 80 -0.157 -2.508 2.108 1.00 0.00 C ATOM 2778 C LYS B 80 -1.610 -2.947 2.380 1.00 0.00 C ATOM 2779 O LYS B 80 -2.049 -2.924 3.512 1.00 0.00 O ATOM 2780 CB LYS B 80 -0.119 -1.185 1.358 1.00 0.00 C ATOM 2781 CG LYS B 80 1.212 -0.483 1.647 1.00 0.00 C ATOM 2782 CD LYS B 80 0.983 0.710 2.579 1.00 0.00 C ATOM 2783 CE LYS B 80 1.235 2.024 1.823 1.00 0.00 C ATOM 2784 NZ LYS B 80 2.700 2.259 1.913 1.00 0.00 N ATOM 0 H LYS B 80 0.277 -3.547 0.322 1.00 0.00 H new ATOM 0 HA LYS B 80 0.287 -2.447 3.102 1.00 0.00 H new ATOM 0 HB2 LYS B 80 -0.229 -1.356 0.287 1.00 0.00 H new ATOM 0 HB3 LYS B 80 -0.952 -0.554 1.667 1.00 0.00 H new ATOM 0 HG2 LYS B 80 1.910 -1.184 2.105 1.00 0.00 H new ATOM 0 HG3 LYS B 80 1.664 -0.145 0.715 1.00 0.00 H new ATOM 0 HD2 LYS B 80 -0.037 0.692 2.963 1.00 0.00 H new ATOM 0 HD3 LYS B 80 1.649 0.643 3.440 1.00 0.00 H new ATOM 0 HE2 LYS B 80 0.913 1.947 0.785 1.00 0.00 H new ATOM 0 HE3 LYS B 80 0.677 2.847 2.270 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 2.905 3.256 1.699 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 3.029 2.036 2.874 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 3.192 1.650 1.229 1.00 0.00 H new ATOM 2798 N PRO B 81 -2.339 -3.251 1.350 1.00 0.00 N ATOM 2799 CA PRO B 81 -3.778 -3.581 1.506 1.00 0.00 C ATOM 2800 C PRO B 81 -4.026 -4.618 2.600 1.00 0.00 C ATOM 2801 O PRO B 81 -3.403 -5.660 2.661 1.00 0.00 O ATOM 2802 CB PRO B 81 -4.190 -4.038 0.104 1.00 0.00 C ATOM 2803 CG PRO B 81 -2.901 -4.405 -0.545 1.00 0.00 C ATOM 2804 CD PRO B 81 -1.912 -3.387 -0.029 1.00 0.00 C ATOM 0 HA PRO B 81 -4.379 -2.738 1.846 1.00 0.00 H new ATOM 0 HB2 PRO B 81 -4.873 -4.887 0.145 1.00 0.00 H new ATOM 0 HB3 PRO B 81 -4.700 -3.244 -0.441 1.00 0.00 H new ATOM 0 HG2 PRO B 81 -2.600 -5.419 -0.283 1.00 0.00 H new ATOM 0 HG3 PRO B 81 -2.979 -4.367 -1.632 1.00 0.00 H new ATOM 0 HD2 PRO B 81 -0.883 -3.737 -0.108 1.00 0.00 H new ATOM 0 HD3 PRO B 81 -1.971 -2.444 -0.573 1.00 0.00 H new ATOM 2812 N GLY B 82 -4.958 -4.310 3.466 1.00 0.00 N ATOM 2813 CA GLY B 82 -5.319 -5.217 4.586 1.00 0.00 C ATOM 2814 C GLY B 82 -6.822 -5.388 4.512 1.00 0.00 C ATOM 2815 O GLY B 82 -7.331 -6.454 4.223 1.00 0.00 O ATOM 0 H GLY B 82 -5.495 -3.443 3.438 1.00 0.00 H new ATOM 0 HA2 GLY B 82 -4.811 -6.177 4.491 1.00 0.00 H new ATOM 0 HA3 GLY B 82 -5.021 -4.792 5.545 1.00 0.00 H new ATOM 2819 N GLU B 83 -7.531 -4.309 4.683 1.00 0.00 N ATOM 2820 CA GLU B 83 -9.002 -4.355 4.526 1.00 0.00 C ATOM 2821 C GLU B 83 -9.289 -4.029 3.084 1.00 0.00 C ATOM 2822 O GLU B 83 -10.145 -3.228 2.780 1.00 0.00 O ATOM 2823 CB GLU B 83 -9.584 -3.279 5.433 1.00 0.00 C ATOM 2824 CG GLU B 83 -11.097 -3.444 5.452 1.00 0.00 C ATOM 2825 CD GLU B 83 -11.680 -2.724 6.669 1.00 0.00 C ATOM 2826 OE1 GLU B 83 -11.702 -1.504 6.657 1.00 0.00 O ATOM 2827 OE2 GLU B 83 -12.094 -3.405 7.593 1.00 0.00 O ATOM 0 H GLU B 83 -7.149 -3.395 4.926 1.00 0.00 H new ATOM 0 HA GLU B 83 -9.429 -5.323 4.786 1.00 0.00 H new ATOM 0 HB2 GLU B 83 -9.179 -3.370 6.441 1.00 0.00 H new ATOM 0 HB3 GLU B 83 -9.314 -2.288 5.069 1.00 0.00 H new ATOM 0 HG2 GLU B 83 -11.528 -3.038 4.537 1.00 0.00 H new ATOM 0 HG3 GLU B 83 -11.357 -4.502 5.485 1.00 0.00 H new ATOM 2834 N SER B 84 -8.564 -4.681 2.205 1.00 0.00 N ATOM 2835 CA SER B 84 -8.702 -4.501 0.729 1.00 0.00 C ATOM 2836 C SER B 84 -9.611 -3.353 0.414 1.00 0.00 C ATOM 2837 O SER B 84 -10.567 -3.459 -0.346 1.00 0.00 O ATOM 2838 CB SER B 84 -9.267 -5.817 0.202 1.00 0.00 C ATOM 2839 OG SER B 84 -8.575 -6.903 0.806 1.00 0.00 O ATOM 0 H SER B 84 -7.851 -5.361 2.468 1.00 0.00 H new ATOM 0 HA SER B 84 -7.746 -4.267 0.261 1.00 0.00 H new ATOM 0 HB2 SER B 84 -10.332 -5.882 0.422 1.00 0.00 H new ATOM 0 HB3 SER B 84 -9.162 -5.862 -0.882 1.00 0.00 H new ATOM 0 HG SER B 84 -8.823 -7.739 0.358 1.00 0.00 H new ATOM 2845 N LEU B 85 -9.456 -2.269 1.104 1.00 0.00 N ATOM 2846 CA LEU B 85 -10.487 -1.238 0.908 1.00 0.00 C ATOM 2847 C LEU B 85 -11.675 -2.018 0.376 1.00 0.00 C ATOM 2848 O LEU B 85 -12.518 -1.533 -0.317 1.00 0.00 O ATOM 2849 CB LEU B 85 -9.928 -0.273 -0.137 1.00 0.00 C ATOM 2850 CG LEU B 85 -9.435 0.992 0.561 1.00 0.00 C ATOM 2851 CD1 LEU B 85 -8.223 0.661 1.429 1.00 0.00 C ATOM 2852 CD2 LEU B 85 -9.034 2.026 -0.484 1.00 0.00 C ATOM 0 H LEU B 85 -8.703 -2.060 1.760 1.00 0.00 H new ATOM 0 HA LEU B 85 -10.765 -0.665 1.793 1.00 0.00 H new ATOM 0 HB2 LEU B 85 -9.110 -0.743 -0.683 1.00 0.00 H new ATOM 0 HB3 LEU B 85 -10.698 -0.023 -0.867 1.00 0.00 H new ATOM 0 HG LEU B 85 -10.234 1.391 1.186 1.00 0.00 H new ATOM 0 HD11 LEU B 85 -7.873 1.566 1.926 1.00 0.00 H new ATOM 0 HD12 LEU B 85 -8.503 -0.079 2.178 1.00 0.00 H new ATOM 0 HD13 LEU B 85 -7.426 0.260 0.803 1.00 0.00 H new ATOM 0 HD21 LEU B 85 -8.682 2.929 0.014 1.00 0.00 H new ATOM 0 HD22 LEU B 85 -8.237 1.622 -1.108 1.00 0.00 H new ATOM 0 HD23 LEU B 85 -9.896 2.267 -1.106 1.00 0.00 H new ATOM 2864 N LYS B 86 -11.709 -3.278 0.820 1.00 0.00 N ATOM 2865 CA LYS B 86 -12.802 -4.232 0.527 1.00 0.00 C ATOM 2866 C LYS B 86 -14.037 -3.478 0.917 1.00 0.00 C ATOM 2867 O LYS B 86 -15.079 -3.512 0.294 1.00 0.00 O ATOM 2868 CB LYS B 86 -12.501 -5.371 1.520 1.00 0.00 C ATOM 2869 CG LYS B 86 -12.618 -6.735 0.852 1.00 0.00 C ATOM 2870 CD LYS B 86 -11.730 -7.723 1.614 1.00 0.00 C ATOM 2871 CE LYS B 86 -11.829 -9.107 0.967 1.00 0.00 C ATOM 2872 NZ LYS B 86 -13.130 -9.659 1.434 1.00 0.00 N ATOM 0 H LYS B 86 -10.972 -3.677 1.401 1.00 0.00 H new ATOM 0 HA LYS B 86 -12.903 -4.609 -0.491 1.00 0.00 H new ATOM 0 HB2 LYS B 86 -11.497 -5.247 1.925 1.00 0.00 H new ATOM 0 HB3 LYS B 86 -13.192 -5.315 2.361 1.00 0.00 H new ATOM 0 HG2 LYS B 86 -13.654 -7.073 0.859 1.00 0.00 H new ATOM 0 HG3 LYS B 86 -12.309 -6.674 -0.192 1.00 0.00 H new ATOM 0 HD2 LYS B 86 -10.696 -7.379 1.605 1.00 0.00 H new ATOM 0 HD3 LYS B 86 -12.039 -7.775 2.658 1.00 0.00 H new ATOM 0 HE2 LYS B 86 -11.797 -9.037 -0.120 1.00 0.00 H new ATOM 0 HE3 LYS B 86 -10.998 -9.745 1.270 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 -12.961 -10.512 2.004 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 -13.621 -8.948 2.013 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 -13.719 -9.903 0.612 1.00 0.00 H new ATOM 2886 N LYS B 87 -13.830 -2.715 1.939 1.00 0.00 N ATOM 2887 CA LYS B 87 -14.842 -1.813 2.451 1.00 0.00 C ATOM 2888 C LYS B 87 -15.037 -0.733 1.395 1.00 0.00 C ATOM 2889 O LYS B 87 -16.141 -0.283 1.121 1.00 0.00 O ATOM 2890 CB LYS B 87 -14.166 -1.262 3.708 1.00 0.00 C ATOM 2891 CG LYS B 87 -15.184 -0.516 4.570 1.00 0.00 C ATOM 2892 CD LYS B 87 -16.048 -1.526 5.328 1.00 0.00 C ATOM 2893 CE LYS B 87 -16.840 -0.803 6.420 1.00 0.00 C ATOM 2894 NZ LYS B 87 -18.090 -0.347 5.750 1.00 0.00 N ATOM 0 H LYS B 87 -12.951 -2.690 2.456 1.00 0.00 H new ATOM 0 HA LYS B 87 -15.819 -2.244 2.668 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -13.723 -2.078 4.279 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -13.354 -0.591 3.429 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -14.670 0.139 5.273 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -15.812 0.118 3.944 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -16.730 -2.026 4.640 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -15.419 -2.298 5.771 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -17.060 -1.469 7.255 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -16.278 0.039 6.823 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -18.687 0.158 6.436 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -17.850 0.290 4.964 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -18.607 -1.171 5.382 1.00 0.00 H new ATOM 2908 N ALA B 88 -13.965 -0.352 0.747 1.00 0.00 N ATOM 2909 CA ALA B 88 -14.113 0.665 -0.324 1.00 0.00 C ATOM 2910 C ALA B 88 -14.606 -0.045 -1.572 1.00 0.00 C ATOM 2911 O ALA B 88 -15.260 0.519 -2.420 1.00 0.00 O ATOM 2912 CB ALA B 88 -12.719 1.246 -0.543 1.00 0.00 C ATOM 0 H ALA B 88 -13.018 -0.694 0.911 1.00 0.00 H new ATOM 0 HA ALA B 88 -14.819 1.457 -0.074 1.00 0.00 H new ATOM 0 HB1 ALA B 88 -12.760 2.005 -1.324 1.00 0.00 H new ATOM 0 HB2 ALA B 88 -12.363 1.697 0.383 1.00 0.00 H new ATOM 0 HB3 ALA B 88 -12.037 0.451 -0.845 1.00 0.00 H new ATOM 2918 N ALA B 89 -14.306 -1.301 -1.672 1.00 0.00 N ATOM 2919 CA ALA B 89 -14.750 -2.076 -2.846 1.00 0.00 C ATOM 2920 C ALA B 89 -16.261 -2.201 -2.814 1.00 0.00 C ATOM 2921 O ALA B 89 -16.931 -1.869 -3.773 1.00 0.00 O ATOM 2922 CB ALA B 89 -14.044 -3.422 -2.712 1.00 0.00 C ATOM 0 H ALA B 89 -13.767 -1.827 -0.984 1.00 0.00 H new ATOM 0 HA ALA B 89 -14.504 -1.612 -3.801 1.00 0.00 H new ATOM 0 HB1 ALA B 89 -14.320 -4.063 -3.549 1.00 0.00 H new ATOM 0 HB2 ALA B 89 -12.965 -3.269 -2.713 1.00 0.00 H new ATOM 0 HB3 ALA B 89 -14.342 -3.898 -1.777 1.00 0.00 H new ATOM 2928 N GLU B 90 -16.818 -2.609 -1.708 1.00 0.00 N ATOM 2929 CA GLU B 90 -18.301 -2.664 -1.637 1.00 0.00 C ATOM 2930 C GLU B 90 -18.807 -1.253 -1.951 1.00 0.00 C ATOM 2931 O GLU B 90 -19.886 -1.063 -2.476 1.00 0.00 O ATOM 2932 CB GLU B 90 -18.650 -3.084 -0.204 1.00 0.00 C ATOM 2933 CG GLU B 90 -18.011 -2.122 0.796 1.00 0.00 C ATOM 2934 CD GLU B 90 -18.665 -2.303 2.168 1.00 0.00 C ATOM 2935 OE1 GLU B 90 -18.335 -3.269 2.836 1.00 0.00 O ATOM 2936 OE2 GLU B 90 -19.482 -1.472 2.527 1.00 0.00 O ATOM 0 H GLU B 90 -16.321 -2.901 -0.867 1.00 0.00 H new ATOM 0 HA GLU B 90 -18.753 -3.367 -2.337 1.00 0.00 H new ATOM 0 HB2 GLU B 90 -19.732 -3.092 -0.072 1.00 0.00 H new ATOM 0 HB3 GLU B 90 -18.299 -4.099 -0.019 1.00 0.00 H new ATOM 0 HG2 GLU B 90 -16.940 -2.310 0.864 1.00 0.00 H new ATOM 0 HG3 GLU B 90 -18.133 -1.094 0.456 1.00 0.00 H new ATOM 2943 N GLY B 91 -17.995 -0.262 -1.651 1.00 0.00 N ATOM 2944 CA GLY B 91 -18.380 1.144 -1.949 1.00 0.00 C ATOM 2945 C GLY B 91 -18.533 1.347 -3.469 1.00 0.00 C ATOM 2946 O GLY B 91 -19.419 2.053 -3.906 1.00 0.00 O ATOM 0 H GLY B 91 -17.081 -0.375 -1.212 1.00 0.00 H new ATOM 0 HA2 GLY B 91 -19.317 1.386 -1.447 1.00 0.00 H new ATOM 0 HA3 GLY B 91 -17.624 1.826 -1.559 1.00 0.00 H new ATOM 2950 N LEU B 92 -17.690 0.742 -4.290 1.00 0.00 N ATOM 2951 CA LEU B 92 -17.845 0.942 -5.772 1.00 0.00 C ATOM 2952 C LEU B 92 -18.859 -0.045 -6.341 1.00 0.00 C ATOM 2953 O LEU B 92 -18.810 -0.384 -7.507 1.00 0.00 O ATOM 2954 CB LEU B 92 -16.457 0.683 -6.387 1.00 0.00 C ATOM 2955 CG LEU B 92 -16.201 -0.823 -6.555 1.00 0.00 C ATOM 2956 CD1 LEU B 92 -16.359 -1.216 -8.028 1.00 0.00 C ATOM 2957 CD2 LEU B 92 -14.777 -1.144 -6.102 1.00 0.00 C ATOM 0 H LEU B 92 -16.922 0.135 -4.004 1.00 0.00 H new ATOM 0 HA LEU B 92 -18.204 1.946 -5.998 1.00 0.00 H new ATOM 0 HB2 LEU B 92 -16.387 1.178 -7.356 1.00 0.00 H new ATOM 0 HB3 LEU B 92 -15.686 1.118 -5.750 1.00 0.00 H new ATOM 0 HG LEU B 92 -16.919 -1.380 -5.953 1.00 0.00 H new ATOM 0 HD11 LEU B 92 -16.176 -2.285 -8.141 1.00 0.00 H new ATOM 0 HD12 LEU B 92 -17.371 -0.984 -8.360 1.00 0.00 H new ATOM 0 HD13 LEU B 92 -15.642 -0.660 -8.632 1.00 0.00 H new ATOM 0 HD21 LEU B 92 -14.590 -2.211 -6.219 1.00 0.00 H new ATOM 0 HD22 LEU B 92 -14.067 -0.582 -6.709 1.00 0.00 H new ATOM 0 HD23 LEU B 92 -14.657 -0.867 -5.054 1.00 0.00 H new ATOM 2969 N LYS B 93 -19.751 -0.547 -5.532 1.00 0.00 N ATOM 2970 CA LYS B 93 -20.721 -1.553 -6.047 1.00 0.00 C ATOM 2971 C LYS B 93 -19.901 -2.721 -6.588 1.00 0.00 C ATOM 2972 O LYS B 93 -20.085 -3.187 -7.701 1.00 0.00 O ATOM 2973 CB LYS B 93 -21.514 -0.863 -7.166 1.00 0.00 C ATOM 2974 CG LYS B 93 -22.120 0.445 -6.643 1.00 0.00 C ATOM 2975 CD LYS B 93 -21.404 1.637 -7.284 1.00 0.00 C ATOM 2976 CE LYS B 93 -22.283 2.885 -7.166 1.00 0.00 C ATOM 2977 NZ LYS B 93 -22.044 3.644 -8.425 1.00 0.00 N ATOM 0 H LYS B 93 -19.850 -0.307 -4.546 1.00 0.00 H new ATOM 0 HA LYS B 93 -21.412 -1.923 -5.289 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -20.861 -0.658 -8.014 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -22.304 -1.523 -7.524 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -23.185 0.481 -6.873 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -22.026 0.492 -5.558 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -20.446 1.806 -6.793 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -21.192 1.427 -8.332 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -23.335 2.619 -7.059 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -22.013 3.477 -6.291 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -22.613 4.515 -8.419 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -21.036 3.890 -8.496 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -22.316 3.058 -9.240 1.00 0.00 H new ATOM 2991 N TYR B 94 -18.957 -3.165 -5.800 1.00 0.00 N ATOM 2992 CA TYR B 94 -18.073 -4.276 -6.232 1.00 0.00 C ATOM 2993 C TYR B 94 -18.904 -5.362 -6.915 1.00 0.00 C ATOM 2994 O TYR B 94 -18.484 -5.948 -7.893 1.00 0.00 O ATOM 2995 CB TYR B 94 -17.356 -4.728 -4.937 1.00 0.00 C ATOM 2996 CG TYR B 94 -17.861 -6.049 -4.376 1.00 0.00 C ATOM 2997 CD1 TYR B 94 -18.080 -7.160 -5.206 1.00 0.00 C ATOM 2998 CD2 TYR B 94 -18.075 -6.163 -2.993 1.00 0.00 C ATOM 2999 CE1 TYR B 94 -18.525 -8.376 -4.661 1.00 0.00 C ATOM 3000 CE2 TYR B 94 -18.512 -7.384 -2.449 1.00 0.00 C ATOM 3001 CZ TYR B 94 -18.739 -8.485 -3.282 1.00 0.00 C ATOM 3002 OH TYR B 94 -19.187 -9.673 -2.743 1.00 0.00 O ATOM 0 H TYR B 94 -18.763 -2.799 -4.868 1.00 0.00 H new ATOM 0 HA TYR B 94 -17.331 -3.997 -6.980 1.00 0.00 H new ATOM 0 HB2 TYR B 94 -16.288 -4.815 -5.137 1.00 0.00 H new ATOM 0 HB3 TYR B 94 -17.476 -3.954 -4.179 1.00 0.00 H new ATOM 0 HD1 TYR B 94 -17.905 -7.079 -6.269 1.00 0.00 H new ATOM 0 HD2 TYR B 94 -17.904 -5.314 -2.348 1.00 0.00 H new ATOM 0 HE1 TYR B 94 -18.702 -9.225 -5.305 1.00 0.00 H new ATOM 0 HE2 TYR B 94 -18.673 -7.472 -1.385 1.00 0.00 H new ATOM 0 HH TYR B 94 -19.281 -9.577 -1.772 1.00 0.00 H new ATOM 3012 N GLU B 95 -20.094 -5.611 -6.434 1.00 0.00 N ATOM 3013 CA GLU B 95 -20.958 -6.640 -7.087 1.00 0.00 C ATOM 3014 C GLU B 95 -21.088 -6.313 -8.574 1.00 0.00 C ATOM 3015 O GLU B 95 -21.046 -7.184 -9.423 1.00 0.00 O ATOM 3016 CB GLU B 95 -22.313 -6.545 -6.387 1.00 0.00 C ATOM 3017 CG GLU B 95 -22.885 -5.133 -6.543 1.00 0.00 C ATOM 3018 CD GLU B 95 -23.997 -4.916 -5.516 1.00 0.00 C ATOM 3019 OE1 GLU B 95 -23.722 -5.054 -4.335 1.00 0.00 O ATOM 3020 OE2 GLU B 95 -25.105 -4.615 -5.926 1.00 0.00 O ATOM 0 H GLU B 95 -20.504 -5.150 -5.622 1.00 0.00 H new ATOM 0 HA GLU B 95 -20.548 -7.647 -7.006 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -23.003 -7.275 -6.811 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -22.203 -6.787 -5.330 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -22.097 -4.393 -6.403 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -23.275 -4.997 -7.552 1.00 0.00 H new ATOM 3027 N ASP B 96 -21.213 -5.053 -8.892 1.00 0.00 N ATOM 3028 CA ASP B 96 -21.307 -4.649 -10.320 1.00 0.00 C ATOM 3029 C ASP B 96 -19.980 -4.964 -11.005 1.00 0.00 C ATOM 3030 O ASP B 96 -19.927 -5.239 -12.188 1.00 0.00 O ATOM 3031 CB ASP B 96 -21.561 -3.139 -10.306 1.00 0.00 C ATOM 3032 CG ASP B 96 -22.952 -2.846 -10.872 1.00 0.00 C ATOM 3033 OD1 ASP B 96 -23.877 -3.557 -10.515 1.00 0.00 O ATOM 3034 OD2 ASP B 96 -23.069 -1.915 -11.654 1.00 0.00 O ATOM 0 H ASP B 96 -21.254 -4.286 -8.221 1.00 0.00 H new ATOM 0 HA ASP B 96 -22.098 -5.173 -10.857 1.00 0.00 H new ATOM 0 HB2 ASP B 96 -21.484 -2.757 -9.288 1.00 0.00 H new ATOM 0 HB3 ASP B 96 -20.802 -2.627 -10.897 1.00 0.00 H new ATOM 3039 N PHE B 97 -18.905 -4.945 -10.257 1.00 0.00 N ATOM 3040 CA PHE B 97 -17.581 -5.267 -10.853 1.00 0.00 C ATOM 3041 C PHE B 97 -17.244 -6.734 -10.568 1.00 0.00 C ATOM 3042 O PHE B 97 -16.183 -7.218 -10.911 1.00 0.00 O ATOM 3043 CB PHE B 97 -16.593 -4.337 -10.147 1.00 0.00 C ATOM 3044 CG PHE B 97 -15.630 -3.765 -11.159 1.00 0.00 C ATOM 3045 CD1 PHE B 97 -14.572 -4.547 -11.634 1.00 0.00 C ATOM 3046 CD2 PHE B 97 -15.797 -2.454 -11.620 1.00 0.00 C ATOM 3047 CE1 PHE B 97 -13.677 -4.018 -12.572 1.00 0.00 C ATOM 3048 CE2 PHE B 97 -14.903 -1.924 -12.558 1.00 0.00 C ATOM 3049 CZ PHE B 97 -13.843 -2.706 -13.034 1.00 0.00 C ATOM 0 H PHE B 97 -18.891 -4.720 -9.262 1.00 0.00 H new ATOM 0 HA PHE B 97 -17.556 -5.130 -11.934 1.00 0.00 H new ATOM 0 HB2 PHE B 97 -17.130 -3.532 -9.645 1.00 0.00 H new ATOM 0 HB3 PHE B 97 -16.047 -4.884 -9.379 1.00 0.00 H new ATOM 0 HD1 PHE B 97 -14.445 -5.559 -11.277 1.00 0.00 H new ATOM 0 HD2 PHE B 97 -16.615 -1.852 -11.252 1.00 0.00 H new ATOM 0 HE1 PHE B 97 -12.860 -4.621 -12.939 1.00 0.00 H new ATOM 0 HE2 PHE B 97 -15.031 -0.913 -12.914 1.00 0.00 H new ATOM 0 HZ PHE B 97 -13.153 -2.297 -13.758 1.00 0.00 H new