USER MOD reduce.3.24.130724 H: found=0, std=0, add=1042, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1048 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 27 GLN : amide:sc= 0.0395 X(o=0.54,f=0.61) USER MOD Set 1.2: B 64 SER OG : rot -30:sc= 0.497 USER MOD Set 2.1: A 27 GLN : amide:sc= 0.0302 X(o=0.41,f=0.55) USER MOD Set 2.2: A 64 SER OG : rot -22:sc= 0.38 USER MOD Single : A 15 MET CE :methyl 167:sc= 0 (180deg=-0.101) USER MOD Single : A 17 ASN : amide:sc= -3.19! K(o=-3.2!,f=-3.8) USER MOD Single : A 18 LYS NZ :NH3+ -136:sc= -0.192 (180deg=-0.912) USER MOD Single : A 19 LYS NZ :NH3+ -162:sc= 0.526 (180deg=0.343) USER MOD Single : A 23 TYR OH : rot 180:sc= -2.61! USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -6.34! C(o=-6.3!,f=-6.7!) USER MOD Single : A 35 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.2) USER MOD Single : A 39 SER OG : rot 180:sc= -0.0465 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.316 K(o=-0.32,f=-2.5!) USER MOD Single : A 45 SER OG : rot 99:sc= 1.21 USER MOD Single : A 51 GLN : amide:sc= -0.0413 X(o=-0.041,f=-0.27) USER MOD Single : A 52 CYS SG : rot 87:sc= 1.02 USER MOD Single : A 55 THR OG1 : rot 83:sc= 1.25 USER MOD Single : A 60 THR OG1 : rot 157:sc= 1.19 USER MOD Single : A 70 GLN : amide:sc= -0.0231 X(o=-0.023,f=-0.0029) USER MOD Single : A 71 THR OG1 : rot 160:sc= -0.468 USER MOD Single : A 81 THR OG1 : rot -105:sc= 1.17 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 MET CE :methyl 165:sc= 0 (180deg=-0.101) USER MOD Single : B 17 ASN : amide:sc= -3.26! X(o=-3.3!,f=-3.8) USER MOD Single : B 18 LYS NZ :NH3+ -155:sc= -0.233 (180deg=-0.951) USER MOD Single : B 19 LYS NZ :NH3+ -162:sc= 0.529 (180deg=0.34) USER MOD Single : B 23 TYR OH : rot 180:sc= -2.71! USER MOD Single : B 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 32 GLN : amide:sc= -6.42! C(o=-6.4!,f=-6.7!) USER MOD Single : B 35 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.2) USER MOD Single : B 39 SER OG : rot 180:sc= -0.0306 USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 43 GLN : amide:sc= -0.308 K(o=-0.31,f=-2.5!) USER MOD Single : B 45 SER OG : rot 90:sc= 1.26 USER MOD Single : B 51 GLN : amide:sc= -0.0323 X(o=-0.032,f=-0.24) USER MOD Single : B 52 CYS SG : rot 78:sc= 1.05 USER MOD Single : B 55 THR OG1 : rot 76:sc= 1.28 USER MOD Single : B 60 THR OG1 : rot 165:sc= 1.19 USER MOD Single : B 70 GLN : amide:sc= -0.0418 X(o=-0.042,f=-0.0071) USER MOD Single : B 71 THR OG1 : rot 180:sc= -0.447 USER MOD Single : B 81 THR OG1 : rot -108:sc= 1.18 USER MOD Single : B 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 14.998 9.111 -3.413 1.00 2.26 N ATOM 2 CA MET A 15 14.700 8.034 -2.442 1.00 1.69 C ATOM 3 C MET A 15 13.443 7.296 -2.883 1.00 1.42 C ATOM 4 O MET A 15 12.426 7.920 -3.197 1.00 1.57 O ATOM 5 CB MET A 15 14.505 8.629 -1.042 1.00 1.82 C ATOM 6 CG MET A 15 14.899 7.698 0.095 1.00 2.22 C ATOM 7 SD MET A 15 13.872 6.219 0.209 1.00 3.04 S ATOM 8 CE MET A 15 14.623 5.405 1.617 1.00 3.68 C ATOM 0 HA MET A 15 15.534 7.333 -2.406 1.00 1.69 H new ATOM 0 HB2 MET A 15 15.090 9.545 -0.965 1.00 1.82 H new ATOM 0 HB3 MET A 15 13.458 8.908 -0.921 1.00 1.82 H new ATOM 0 HG2 MET A 15 15.939 7.399 -0.036 1.00 2.22 H new ATOM 0 HG3 MET A 15 14.841 8.244 1.037 1.00 2.22 H new ATOM 0 HE1 MET A 15 13.973 4.601 1.962 1.00 3.68 H new ATOM 0 HE2 MET A 15 15.588 4.991 1.326 1.00 3.68 H new ATOM 0 HE3 MET A 15 14.766 6.127 2.421 1.00 3.68 H new ATOM 20 N ASP A 16 13.519 5.972 -2.921 1.00 1.26 N ATOM 21 CA ASP A 16 12.410 5.147 -3.390 1.00 1.13 C ATOM 22 C ASP A 16 11.204 5.260 -2.466 1.00 0.92 C ATOM 23 O ASP A 16 11.251 4.832 -1.312 1.00 1.01 O ATOM 24 CB ASP A 16 12.829 3.675 -3.494 1.00 1.39 C ATOM 25 CG ASP A 16 13.841 3.414 -4.590 1.00 1.84 C ATOM 26 OD1 ASP A 16 13.444 3.338 -5.772 1.00 2.40 O ATOM 27 OD2 ASP A 16 15.043 3.270 -4.274 1.00 2.28 O ATOM 0 H ASP A 16 14.341 5.443 -2.631 1.00 1.26 H new ATOM 0 HA ASP A 16 12.133 5.515 -4.378 1.00 1.13 H new ATOM 0 HB2 ASP A 16 13.248 3.356 -2.540 1.00 1.39 H new ATOM 0 HB3 ASP A 16 11.944 3.065 -3.674 1.00 1.39 H new ATOM 32 N ASN A 17 10.120 5.826 -2.982 1.00 0.78 N ATOM 33 CA ASN A 17 8.869 5.897 -2.234 1.00 0.74 C ATOM 34 C ASN A 17 8.271 4.505 -2.118 1.00 0.61 C ATOM 35 O ASN A 17 7.469 4.232 -1.236 1.00 0.65 O ATOM 36 CB ASN A 17 7.859 6.837 -2.909 1.00 0.92 C ATOM 37 CG ASN A 17 7.255 6.268 -4.184 1.00 1.56 C ATOM 38 OD1 ASN A 17 7.918 5.577 -4.961 1.00 2.52 O ATOM 39 ND2 ASN A 17 5.979 6.542 -4.398 1.00 1.71 N ATOM 0 H ASN A 17 10.081 6.242 -3.913 1.00 0.78 H new ATOM 0 HA ASN A 17 9.088 6.296 -1.244 1.00 0.74 H new ATOM 0 HB2 ASN A 17 7.057 7.061 -2.205 1.00 0.92 H new ATOM 0 HB3 ASN A 17 8.352 7.781 -3.140 1.00 0.92 H new ATOM 0 HD21 ASN A 17 5.511 6.178 -5.228 1.00 1.71 H new ATOM 0 HD22 ASN A 17 5.462 7.117 -3.733 1.00 1.71 H new ATOM 46 N LYS A 18 8.699 3.638 -3.024 1.00 0.59 N ATOM 47 CA LYS A 18 8.224 2.265 -3.102 1.00 0.62 C ATOM 48 C LYS A 18 8.457 1.524 -1.791 1.00 0.53 C ATOM 49 O LYS A 18 7.518 1.022 -1.177 1.00 0.48 O ATOM 50 CB LYS A 18 8.957 1.559 -4.241 1.00 0.82 C ATOM 51 CG LYS A 18 8.817 2.275 -5.575 1.00 1.09 C ATOM 52 CD LYS A 18 7.516 1.920 -6.274 1.00 1.04 C ATOM 53 CE LYS A 18 7.609 0.561 -6.948 1.00 1.44 C ATOM 54 NZ LYS A 18 8.725 0.514 -7.934 1.00 1.90 N ATOM 0 H LYS A 18 9.394 3.871 -3.734 1.00 0.59 H new ATOM 0 HA LYS A 18 7.150 2.270 -3.290 1.00 0.62 H new ATOM 0 HB2 LYS A 18 10.014 1.477 -3.989 1.00 0.82 H new ATOM 0 HB3 LYS A 18 8.573 0.544 -4.338 1.00 0.82 H new ATOM 0 HG2 LYS A 18 8.861 3.352 -5.415 1.00 1.09 H new ATOM 0 HG3 LYS A 18 9.658 2.013 -6.218 1.00 1.09 H new ATOM 0 HD2 LYS A 18 6.701 1.915 -5.551 1.00 1.04 H new ATOM 0 HD3 LYS A 18 7.279 2.682 -7.017 1.00 1.04 H new ATOM 0 HE2 LYS A 18 7.757 -0.211 -6.193 1.00 1.44 H new ATOM 0 HE3 LYS A 18 6.668 0.339 -7.451 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 8.400 0.047 -8.805 1.00 1.90 H new ATOM 0 HZ2 LYS A 18 9.034 1.482 -8.155 1.00 1.90 H new ATOM 0 HZ3 LYS A 18 9.521 -0.020 -7.532 1.00 1.90 H new ATOM 68 N LYS A 19 9.709 1.467 -1.365 1.00 0.60 N ATOM 69 CA LYS A 19 10.069 0.752 -0.150 1.00 0.61 C ATOM 70 C LYS A 19 9.454 1.411 1.082 1.00 0.53 C ATOM 71 O LYS A 19 8.963 0.727 1.980 1.00 0.55 O ATOM 72 CB LYS A 19 11.592 0.668 -0.008 1.00 0.77 C ATOM 73 CG LYS A 19 12.295 2.015 -0.131 1.00 0.82 C ATOM 74 CD LYS A 19 13.796 1.889 0.062 1.00 1.19 C ATOM 75 CE LYS A 19 14.138 1.507 1.490 1.00 1.06 C ATOM 76 NZ LYS A 19 15.594 1.294 1.688 1.00 1.49 N ATOM 0 H LYS A 19 10.494 1.908 -1.843 1.00 0.60 H new ATOM 0 HA LYS A 19 9.669 -0.259 -0.225 1.00 0.61 H new ATOM 0 HB2 LYS A 19 11.834 0.229 0.960 1.00 0.77 H new ATOM 0 HB3 LYS A 19 11.982 -0.006 -0.770 1.00 0.77 H new ATOM 0 HG2 LYS A 19 12.090 2.444 -1.112 1.00 0.82 H new ATOM 0 HG3 LYS A 19 11.890 2.705 0.609 1.00 0.82 H new ATOM 0 HD2 LYS A 19 14.191 1.138 -0.622 1.00 1.19 H new ATOM 0 HD3 LYS A 19 14.278 2.834 -0.189 1.00 1.19 H new ATOM 0 HE2 LYS A 19 13.794 2.291 2.165 1.00 1.06 H new ATOM 0 HE3 LYS A 19 13.601 0.597 1.758 1.00 1.06 H new ATOM 0 HZ1 LYS A 19 15.750 0.753 2.562 1.00 1.49 H new ATOM 0 HZ2 LYS A 19 15.981 0.766 0.880 1.00 1.49 H new ATOM 0 HZ3 LYS A 19 16.073 2.214 1.761 1.00 1.49 H new ATOM 90 N ARG A 20 9.453 2.740 1.110 1.00 0.54 N ATOM 91 CA ARG A 20 8.930 3.466 2.259 1.00 0.58 C ATOM 92 C ARG A 20 7.411 3.357 2.325 1.00 0.54 C ATOM 93 O ARG A 20 6.814 3.490 3.392 1.00 0.61 O ATOM 94 CB ARG A 20 9.374 4.931 2.240 1.00 0.70 C ATOM 95 CG ARG A 20 10.876 5.097 2.417 1.00 0.82 C ATOM 96 CD ARG A 20 11.253 6.516 2.816 1.00 1.01 C ATOM 97 NE ARG A 20 11.016 7.491 1.753 1.00 1.31 N ATOM 98 CZ ARG A 20 11.626 8.675 1.691 1.00 1.45 C ATOM 99 NH1 ARG A 20 12.492 9.028 2.636 1.00 1.32 N ATOM 100 NH2 ARG A 20 11.370 9.506 0.691 1.00 2.34 N ATOM 0 H ARG A 20 9.805 3.331 0.357 1.00 0.54 H new ATOM 0 HA ARG A 20 9.342 3.007 3.158 1.00 0.58 H new ATOM 0 HB2 ARG A 20 9.072 5.385 1.296 1.00 0.70 H new ATOM 0 HB3 ARG A 20 8.858 5.472 3.033 1.00 0.70 H new ATOM 0 HG2 ARG A 20 11.230 4.401 3.178 1.00 0.82 H new ATOM 0 HG3 ARG A 20 11.381 4.836 1.487 1.00 0.82 H new ATOM 0 HD2 ARG A 20 10.682 6.803 3.699 1.00 1.01 H new ATOM 0 HD3 ARG A 20 12.306 6.541 3.096 1.00 1.01 H new ATOM 0 HE ARG A 20 10.348 7.253 1.020 1.00 1.31 H new ATOM 0 HH11 ARG A 20 12.690 8.393 3.409 1.00 1.32 H new ATOM 0 HH12 ARG A 20 12.958 9.934 2.588 1.00 1.32 H new ATOM 0 HH21 ARG A 20 10.704 9.241 -0.035 1.00 2.34 H new ATOM 0 HH22 ARG A 20 11.839 10.411 0.647 1.00 2.34 H new ATOM 114 N LEU A 21 6.804 3.103 1.179 1.00 0.54 N ATOM 115 CA LEU A 21 5.375 2.853 1.091 1.00 0.59 C ATOM 116 C LEU A 21 5.016 1.558 1.814 1.00 0.57 C ATOM 117 O LEU A 21 4.046 1.501 2.574 1.00 0.64 O ATOM 118 CB LEU A 21 4.975 2.789 -0.393 1.00 0.64 C ATOM 119 CG LEU A 21 3.610 2.180 -0.725 1.00 0.61 C ATOM 120 CD1 LEU A 21 2.505 2.850 0.070 1.00 0.70 C ATOM 121 CD2 LEU A 21 3.331 2.328 -2.210 1.00 0.61 C ATOM 0 H LEU A 21 7.288 3.064 0.282 1.00 0.54 H new ATOM 0 HA LEU A 21 4.826 3.661 1.575 1.00 0.59 H new ATOM 0 HB2 LEU A 21 4.999 3.803 -0.793 1.00 0.64 H new ATOM 0 HB3 LEU A 21 5.737 2.219 -0.924 1.00 0.64 H new ATOM 0 HG LEU A 21 3.633 1.124 -0.457 1.00 0.61 H new ATOM 0 HD11 LEU A 21 1.547 2.398 -0.186 1.00 0.70 H new ATOM 0 HD12 LEU A 21 2.694 2.721 1.136 1.00 0.70 H new ATOM 0 HD13 LEU A 21 2.479 3.913 -0.168 1.00 0.70 H new ATOM 0 HD21 LEU A 21 2.359 1.893 -2.443 1.00 0.61 H new ATOM 0 HD22 LEU A 21 3.329 3.385 -2.476 1.00 0.61 H new ATOM 0 HD23 LEU A 21 4.104 1.812 -2.779 1.00 0.61 H new ATOM 133 N ALA A 22 5.831 0.536 1.600 1.00 0.56 N ATOM 134 CA ALA A 22 5.567 -0.787 2.144 1.00 0.63 C ATOM 135 C ALA A 22 5.545 -0.790 3.668 1.00 0.51 C ATOM 136 O ALA A 22 4.519 -1.098 4.273 1.00 0.44 O ATOM 137 CB ALA A 22 6.601 -1.773 1.634 1.00 0.83 C ATOM 0 H ALA A 22 6.687 0.599 1.049 1.00 0.56 H new ATOM 0 HA ALA A 22 4.576 -1.088 1.806 1.00 0.63 H new ATOM 0 HB1 ALA A 22 6.396 -2.761 2.046 1.00 0.83 H new ATOM 0 HB2 ALA A 22 6.556 -1.817 0.546 1.00 0.83 H new ATOM 0 HB3 ALA A 22 7.595 -1.450 1.943 1.00 0.83 H new ATOM 143 N TYR A 23 6.668 -0.434 4.290 1.00 0.62 N ATOM 144 CA TYR A 23 6.794 -0.534 5.744 1.00 0.76 C ATOM 145 C TYR A 23 5.781 0.370 6.438 1.00 0.67 C ATOM 146 O TYR A 23 5.253 0.035 7.498 1.00 0.67 O ATOM 147 CB TYR A 23 8.223 -0.194 6.201 1.00 1.11 C ATOM 148 CG TYR A 23 8.515 1.286 6.347 1.00 1.03 C ATOM 149 CD1 TYR A 23 8.132 1.985 7.487 1.00 1.46 C ATOM 150 CD2 TYR A 23 9.165 1.985 5.343 1.00 1.86 C ATOM 151 CE1 TYR A 23 8.385 3.331 7.618 1.00 1.82 C ATOM 152 CE2 TYR A 23 9.419 3.335 5.468 1.00 2.48 C ATOM 153 CZ TYR A 23 9.028 4.004 6.602 1.00 2.23 C ATOM 154 OH TYR A 23 9.267 5.355 6.708 1.00 2.99 O ATOM 0 H TYR A 23 7.497 -0.077 3.815 1.00 0.62 H new ATOM 0 HA TYR A 23 6.585 -1.566 6.027 1.00 0.76 H new ATOM 0 HB2 TYR A 23 8.407 -0.681 7.158 1.00 1.11 H new ATOM 0 HB3 TYR A 23 8.928 -0.619 5.486 1.00 1.11 H new ATOM 0 HD1 TYR A 23 7.626 1.461 8.285 1.00 1.46 H new ATOM 0 HD2 TYR A 23 9.477 1.465 4.449 1.00 1.86 H new ATOM 0 HE1 TYR A 23 8.082 3.857 8.511 1.00 1.82 H new ATOM 0 HE2 TYR A 23 9.925 3.865 4.675 1.00 2.48 H new ATOM 0 HH TYR A 23 9.730 5.669 5.904 1.00 2.99 H new ATOM 164 N ALA A 24 5.522 1.516 5.825 1.00 0.72 N ATOM 165 CA ALA A 24 4.577 2.486 6.366 1.00 0.87 C ATOM 166 C ALA A 24 3.192 1.875 6.509 1.00 0.75 C ATOM 167 O ALA A 24 2.541 2.012 7.549 1.00 0.84 O ATOM 168 CB ALA A 24 4.516 3.712 5.478 1.00 1.14 C ATOM 0 H ALA A 24 5.956 1.799 4.946 1.00 0.72 H new ATOM 0 HA ALA A 24 4.925 2.782 7.356 1.00 0.87 H new ATOM 0 HB1 ALA A 24 3.807 4.428 5.894 1.00 1.14 H new ATOM 0 HB2 ALA A 24 5.503 4.170 5.422 1.00 1.14 H new ATOM 0 HB3 ALA A 24 4.194 3.421 4.478 1.00 1.14 H new ATOM 174 N ILE A 25 2.751 1.203 5.457 1.00 0.62 N ATOM 175 CA ILE A 25 1.476 0.510 5.471 1.00 0.71 C ATOM 176 C ILE A 25 1.529 -0.668 6.437 1.00 0.61 C ATOM 177 O ILE A 25 0.572 -0.927 7.163 1.00 0.66 O ATOM 178 CB ILE A 25 1.091 0.031 4.054 1.00 0.80 C ATOM 179 CG1 ILE A 25 0.784 1.242 3.170 1.00 0.97 C ATOM 180 CG2 ILE A 25 -0.098 -0.919 4.091 1.00 0.91 C ATOM 181 CD1 ILE A 25 0.360 0.879 1.767 1.00 0.89 C ATOM 0 H ILE A 25 3.263 1.124 4.578 1.00 0.62 H new ATOM 0 HA ILE A 25 0.710 1.208 5.809 1.00 0.71 H new ATOM 0 HB ILE A 25 1.934 -0.518 3.635 1.00 0.80 H new ATOM 0 HG12 ILE A 25 -0.005 1.831 3.637 1.00 0.97 H new ATOM 0 HG13 ILE A 25 1.668 1.877 3.120 1.00 0.97 H new ATOM 0 HG21 ILE A 25 -0.342 -1.236 3.077 1.00 0.91 H new ATOM 0 HG22 ILE A 25 0.152 -1.792 4.694 1.00 0.91 H new ATOM 0 HG23 ILE A 25 -0.957 -0.410 4.528 1.00 0.91 H new ATOM 0 HD11 ILE A 25 0.160 1.789 1.201 1.00 0.89 H new ATOM 0 HD12 ILE A 25 1.157 0.317 1.280 1.00 0.89 H new ATOM 0 HD13 ILE A 25 -0.543 0.270 1.806 1.00 0.89 H new ATOM 193 N ILE A 26 2.667 -1.355 6.459 1.00 0.53 N ATOM 194 CA ILE A 26 2.873 -2.475 7.368 1.00 0.53 C ATOM 195 C ILE A 26 2.626 -2.064 8.817 1.00 0.51 C ATOM 196 O ILE A 26 1.865 -2.717 9.522 1.00 0.53 O ATOM 197 CB ILE A 26 4.296 -3.065 7.240 1.00 0.58 C ATOM 198 CG1 ILE A 26 4.475 -3.742 5.876 1.00 0.67 C ATOM 199 CG2 ILE A 26 4.563 -4.045 8.375 1.00 0.62 C ATOM 200 CD1 ILE A 26 5.857 -4.326 5.656 1.00 0.78 C ATOM 0 H ILE A 26 3.463 -1.154 5.854 1.00 0.53 H new ATOM 0 HA ILE A 26 2.152 -3.242 7.084 1.00 0.53 H new ATOM 0 HB ILE A 26 5.021 -2.254 7.311 1.00 0.58 H new ATOM 0 HG12 ILE A 26 3.736 -4.537 5.776 1.00 0.67 H new ATOM 0 HG13 ILE A 26 4.270 -3.015 5.091 1.00 0.67 H new ATOM 0 HG21 ILE A 26 5.568 -4.454 8.274 1.00 0.62 H new ATOM 0 HG22 ILE A 26 4.476 -3.528 9.330 1.00 0.62 H new ATOM 0 HG23 ILE A 26 3.836 -4.856 8.334 1.00 0.62 H new ATOM 0 HD11 ILE A 26 5.904 -4.787 4.669 1.00 0.78 H new ATOM 0 HD12 ILE A 26 6.602 -3.533 5.722 1.00 0.78 H new ATOM 0 HD13 ILE A 26 6.060 -5.079 6.418 1.00 0.78 H new ATOM 212 N GLN A 27 3.260 -0.978 9.250 1.00 0.54 N ATOM 213 CA GLN A 27 3.112 -0.500 10.624 1.00 0.62 C ATOM 214 C GLN A 27 1.656 -0.201 10.957 1.00 0.55 C ATOM 215 O GLN A 27 1.117 -0.710 11.941 1.00 0.57 O ATOM 216 CB GLN A 27 3.957 0.753 10.853 1.00 0.79 C ATOM 217 CG GLN A 27 5.439 0.467 11.015 1.00 0.89 C ATOM 218 CD GLN A 27 5.727 -0.438 12.199 1.00 1.10 C ATOM 219 OE1 GLN A 27 4.993 -0.447 13.188 1.00 1.58 O ATOM 220 NE2 GLN A 27 6.809 -1.190 12.116 1.00 1.34 N ATOM 0 H GLN A 27 3.881 -0.412 8.671 1.00 0.54 H new ATOM 0 HA GLN A 27 3.460 -1.295 11.283 1.00 0.62 H new ATOM 0 HB2 GLN A 27 3.817 1.434 10.013 1.00 0.79 H new ATOM 0 HB3 GLN A 27 3.595 1.267 11.744 1.00 0.79 H new ATOM 0 HG2 GLN A 27 5.818 0.002 10.105 1.00 0.89 H new ATOM 0 HG3 GLN A 27 5.976 1.407 11.140 1.00 0.89 H new ATOM 0 HE21 GLN A 27 7.392 -1.154 11.280 1.00 1.34 H new ATOM 0 HE22 GLN A 27 7.062 -1.807 12.888 1.00 1.34 H new ATOM 229 N PHE A 28 1.025 0.610 10.121 1.00 0.52 N ATOM 230 CA PHE A 28 -0.357 1.013 10.338 1.00 0.51 C ATOM 231 C PHE A 28 -1.280 -0.201 10.351 1.00 0.43 C ATOM 232 O PHE A 28 -2.118 -0.349 11.240 1.00 0.42 O ATOM 233 CB PHE A 28 -0.786 2.006 9.255 1.00 0.60 C ATOM 234 CG PHE A 28 -2.222 2.437 9.345 1.00 0.90 C ATOM 235 CD1 PHE A 28 -2.691 3.117 10.457 1.00 1.60 C ATOM 236 CD2 PHE A 28 -3.103 2.168 8.309 1.00 1.62 C ATOM 237 CE1 PHE A 28 -4.011 3.518 10.535 1.00 1.98 C ATOM 238 CE2 PHE A 28 -4.422 2.565 8.382 1.00 1.95 C ATOM 239 CZ PHE A 28 -4.878 3.240 9.495 1.00 1.83 C ATOM 0 H PHE A 28 1.450 1.004 9.282 1.00 0.52 H new ATOM 0 HA PHE A 28 -0.430 1.499 11.311 1.00 0.51 H new ATOM 0 HB2 PHE A 28 -0.149 2.889 9.315 1.00 0.60 H new ATOM 0 HB3 PHE A 28 -0.615 1.556 8.277 1.00 0.60 H new ATOM 0 HD1 PHE A 28 -2.017 3.336 11.272 1.00 1.60 H new ATOM 0 HD2 PHE A 28 -2.752 1.641 7.434 1.00 1.62 H new ATOM 0 HE1 PHE A 28 -4.365 4.048 11.407 1.00 1.98 H new ATOM 0 HE2 PHE A 28 -5.097 2.347 7.568 1.00 1.95 H new ATOM 0 HZ PHE A 28 -5.911 3.551 9.554 1.00 1.83 H new ATOM 249 N LEU A 29 -1.110 -1.079 9.373 1.00 0.45 N ATOM 250 CA LEU A 29 -1.936 -2.272 9.272 1.00 0.45 C ATOM 251 C LEU A 29 -1.611 -3.274 10.374 1.00 0.45 C ATOM 252 O LEU A 29 -2.457 -4.072 10.747 1.00 0.48 O ATOM 253 CB LEU A 29 -1.790 -2.928 7.895 1.00 0.53 C ATOM 254 CG LEU A 29 -2.766 -2.431 6.820 1.00 0.59 C ATOM 255 CD1 LEU A 29 -2.641 -0.928 6.608 1.00 0.57 C ATOM 256 CD2 LEU A 29 -2.537 -3.176 5.512 1.00 0.70 C ATOM 0 H LEU A 29 -0.408 -0.987 8.639 1.00 0.45 H new ATOM 0 HA LEU A 29 -2.972 -1.958 9.398 1.00 0.45 H new ATOM 0 HB2 LEU A 29 -0.772 -2.765 7.540 1.00 0.53 H new ATOM 0 HB3 LEU A 29 -1.919 -4.004 8.009 1.00 0.53 H new ATOM 0 HG LEU A 29 -3.779 -2.634 7.167 1.00 0.59 H new ATOM 0 HD11 LEU A 29 -3.346 -0.609 5.840 1.00 0.57 H new ATOM 0 HD12 LEU A 29 -2.861 -0.409 7.541 1.00 0.57 H new ATOM 0 HD13 LEU A 29 -1.626 -0.688 6.291 1.00 0.57 H new ATOM 0 HD21 LEU A 29 -3.237 -2.813 4.759 1.00 0.70 H new ATOM 0 HD22 LEU A 29 -1.516 -3.006 5.171 1.00 0.70 H new ATOM 0 HD23 LEU A 29 -2.694 -4.243 5.669 1.00 0.70 H new ATOM 268 N HIS A 30 -0.391 -3.228 10.892 1.00 0.47 N ATOM 269 CA HIS A 30 0.016 -4.120 11.977 1.00 0.53 C ATOM 270 C HIS A 30 -0.769 -3.811 13.246 1.00 0.47 C ATOM 271 O HIS A 30 -1.388 -4.696 13.840 1.00 0.49 O ATOM 272 CB HIS A 30 1.521 -3.986 12.247 1.00 0.67 C ATOM 273 CG HIS A 30 2.043 -4.940 13.279 1.00 0.93 C ATOM 274 ND1 HIS A 30 2.333 -4.567 14.576 1.00 1.11 N ATOM 275 CD2 HIS A 30 2.340 -6.257 13.193 1.00 1.18 C ATOM 276 CE1 HIS A 30 2.785 -5.616 15.238 1.00 1.37 C ATOM 277 NE2 HIS A 30 2.799 -6.653 14.423 1.00 1.41 N ATOM 0 H HIS A 30 0.336 -2.584 10.581 1.00 0.47 H new ATOM 0 HA HIS A 30 -0.197 -5.145 11.673 1.00 0.53 H new ATOM 0 HB2 HIS A 30 2.062 -4.144 11.314 1.00 0.67 H new ATOM 0 HB3 HIS A 30 1.732 -2.967 12.570 1.00 0.67 H new ATOM 0 HD2 HIS A 30 2.235 -6.881 12.318 1.00 1.18 H new ATOM 0 HE1 HIS A 30 3.092 -5.624 16.273 1.00 1.37 H new ATOM 0 HE2 HIS A 30 3.102 -7.596 14.668 1.00 1.41 H new ATOM 286 N ASP A 31 -0.743 -2.549 13.655 1.00 0.48 N ATOM 287 CA ASP A 31 -1.476 -2.116 14.840 1.00 0.51 C ATOM 288 C ASP A 31 -2.974 -2.287 14.626 1.00 0.45 C ATOM 289 O ASP A 31 -3.677 -2.850 15.466 1.00 0.49 O ATOM 290 CB ASP A 31 -1.158 -0.656 15.165 1.00 0.63 C ATOM 291 CG ASP A 31 -1.976 -0.131 16.329 1.00 1.24 C ATOM 292 OD1 ASP A 31 -1.612 -0.409 17.492 1.00 1.98 O ATOM 293 OD2 ASP A 31 -2.988 0.556 16.085 1.00 1.79 O ATOM 0 H ASP A 31 -0.223 -1.808 13.185 1.00 0.48 H new ATOM 0 HA ASP A 31 -1.165 -2.736 15.681 1.00 0.51 H new ATOM 0 HB2 ASP A 31 -0.097 -0.561 15.398 1.00 0.63 H new ATOM 0 HB3 ASP A 31 -1.347 -0.041 14.285 1.00 0.63 H new ATOM 298 N GLN A 32 -3.445 -1.822 13.476 1.00 0.42 N ATOM 299 CA GLN A 32 -4.849 -1.940 13.104 1.00 0.43 C ATOM 300 C GLN A 32 -5.303 -3.402 13.115 1.00 0.38 C ATOM 301 O GLN A 32 -6.447 -3.702 13.465 1.00 0.43 O ATOM 302 CB GLN A 32 -5.066 -1.291 11.725 1.00 0.52 C ATOM 303 CG GLN A 32 -6.371 -1.664 11.029 1.00 0.57 C ATOM 304 CD GLN A 32 -6.310 -3.005 10.312 1.00 1.17 C ATOM 305 OE1 GLN A 32 -7.310 -3.713 10.215 1.00 1.92 O ATOM 306 NE2 GLN A 32 -5.137 -3.362 9.807 1.00 1.31 N ATOM 0 H GLN A 32 -2.867 -1.354 12.777 1.00 0.42 H new ATOM 0 HA GLN A 32 -5.459 -1.415 13.839 1.00 0.43 H new ATOM 0 HB2 GLN A 32 -5.032 -0.208 11.842 1.00 0.52 H new ATOM 0 HB3 GLN A 32 -4.235 -1.568 11.076 1.00 0.52 H new ATOM 0 HG2 GLN A 32 -7.173 -1.691 11.767 1.00 0.57 H new ATOM 0 HG3 GLN A 32 -6.626 -0.886 10.309 1.00 0.57 H new ATOM 0 HE21 GLN A 32 -4.330 -2.747 9.908 1.00 1.31 H new ATOM 0 HE22 GLN A 32 -5.042 -4.252 9.317 1.00 1.31 H new ATOM 315 N LEU A 33 -4.399 -4.303 12.745 1.00 0.36 N ATOM 316 CA LEU A 33 -4.713 -5.724 12.659 1.00 0.42 C ATOM 317 C LEU A 33 -5.085 -6.268 14.031 1.00 0.46 C ATOM 318 O LEU A 33 -6.023 -7.049 14.164 1.00 0.54 O ATOM 319 CB LEU A 33 -3.517 -6.495 12.082 1.00 0.53 C ATOM 320 CG LEU A 33 -3.855 -7.581 11.052 1.00 0.80 C ATOM 321 CD1 LEU A 33 -4.590 -8.737 11.708 1.00 1.22 C ATOM 322 CD2 LEU A 33 -4.679 -6.992 9.914 1.00 0.83 C ATOM 0 H LEU A 33 -3.437 -4.072 12.498 1.00 0.36 H new ATOM 0 HA LEU A 33 -5.566 -5.855 11.994 1.00 0.42 H new ATOM 0 HB2 LEU A 33 -2.838 -5.780 11.618 1.00 0.53 H new ATOM 0 HB3 LEU A 33 -2.976 -6.959 12.907 1.00 0.53 H new ATOM 0 HG LEU A 33 -2.923 -7.967 10.639 1.00 0.80 H new ATOM 0 HD11 LEU A 33 -4.819 -9.495 10.959 1.00 1.22 H new ATOM 0 HD12 LEU A 33 -3.962 -9.173 12.485 1.00 1.22 H new ATOM 0 HD13 LEU A 33 -5.517 -8.374 12.152 1.00 1.22 H new ATOM 0 HD21 LEU A 33 -4.912 -7.774 9.191 1.00 0.83 H new ATOM 0 HD22 LEU A 33 -5.606 -6.578 10.312 1.00 0.83 H new ATOM 0 HD23 LEU A 33 -4.110 -6.202 9.424 1.00 0.83 H new ATOM 334 N ARG A 34 -4.363 -5.827 15.052 1.00 0.47 N ATOM 335 CA ARG A 34 -4.631 -6.266 16.413 1.00 0.58 C ATOM 336 C ARG A 34 -5.839 -5.535 16.991 1.00 0.58 C ATOM 337 O ARG A 34 -6.531 -6.057 17.862 1.00 0.69 O ATOM 338 CB ARG A 34 -3.407 -6.046 17.305 1.00 0.69 C ATOM 339 CG ARG A 34 -2.173 -6.811 16.851 1.00 1.40 C ATOM 340 CD ARG A 34 -2.468 -8.291 16.646 1.00 1.45 C ATOM 341 NE ARG A 34 -3.049 -8.912 17.835 1.00 2.17 N ATOM 342 CZ ARG A 34 -3.298 -10.217 17.947 1.00 2.52 C ATOM 343 NH1 ARG A 34 -2.992 -11.043 16.955 1.00 2.19 N ATOM 344 NH2 ARG A 34 -3.851 -10.696 19.054 1.00 3.49 N ATOM 0 H ARG A 34 -3.590 -5.168 14.964 1.00 0.47 H new ATOM 0 HA ARG A 34 -4.853 -7.333 16.383 1.00 0.58 H new ATOM 0 HB2 ARG A 34 -3.174 -4.981 17.331 1.00 0.69 H new ATOM 0 HB3 ARG A 34 -3.653 -6.343 18.324 1.00 0.69 H new ATOM 0 HG2 ARG A 34 -1.802 -6.382 15.920 1.00 1.40 H new ATOM 0 HG3 ARG A 34 -1.382 -6.697 17.592 1.00 1.40 H new ATOM 0 HD2 ARG A 34 -3.152 -8.410 15.806 1.00 1.45 H new ATOM 0 HD3 ARG A 34 -1.546 -8.809 16.382 1.00 1.45 H new ATOM 0 HE ARG A 34 -3.278 -8.311 18.627 1.00 2.17 H new ATOM 0 HH11 ARG A 34 -2.565 -10.680 16.103 1.00 2.19 H new ATOM 0 HH12 ARG A 34 -3.184 -12.041 17.045 1.00 2.19 H new ATOM 0 HH21 ARG A 34 -4.086 -10.066 19.821 1.00 3.49 H new ATOM 0 HH22 ARG A 34 -4.041 -11.695 19.138 1.00 3.49 H new ATOM 358 N HIS A 35 -6.094 -4.332 16.492 1.00 0.53 N ATOM 359 CA HIS A 35 -7.238 -3.545 16.947 1.00 0.58 C ATOM 360 C HIS A 35 -8.538 -4.080 16.357 1.00 0.58 C ATOM 361 O HIS A 35 -9.596 -4.011 16.983 1.00 0.74 O ATOM 362 CB HIS A 35 -7.079 -2.067 16.570 1.00 0.59 C ATOM 363 CG HIS A 35 -6.095 -1.310 17.410 1.00 1.15 C ATOM 364 ND1 HIS A 35 -6.289 -0.001 17.783 1.00 1.98 N ATOM 365 CD2 HIS A 35 -4.895 -1.669 17.924 1.00 1.61 C ATOM 366 CE1 HIS A 35 -5.255 0.414 18.483 1.00 2.68 C ATOM 367 NE2 HIS A 35 -4.390 -0.577 18.587 1.00 2.42 N ATOM 0 H HIS A 35 -5.528 -3.879 15.775 1.00 0.53 H new ATOM 0 HA HIS A 35 -7.277 -3.630 18.033 1.00 0.58 H new ATOM 0 HB2 HIS A 35 -6.771 -2.003 15.527 1.00 0.59 H new ATOM 0 HB3 HIS A 35 -8.051 -1.580 16.645 1.00 0.59 H new ATOM 0 HD2 HIS A 35 -4.422 -2.635 17.830 1.00 1.61 H new ATOM 0 HE1 HIS A 35 -5.134 1.402 18.903 1.00 2.68 H new ATOM 0 HE2 HIS A 35 -3.496 -0.539 19.077 1.00 2.42 H new ATOM 376 N GLY A 36 -8.443 -4.617 15.148 1.00 0.49 N ATOM 377 CA GLY A 36 -9.613 -5.134 14.470 1.00 0.51 C ATOM 378 C GLY A 36 -10.255 -4.091 13.577 1.00 0.47 C ATOM 379 O GLY A 36 -11.479 -3.966 13.539 1.00 0.53 O ATOM 0 H GLY A 36 -7.572 -4.703 14.624 1.00 0.49 H new ATOM 0 HA2 GLY A 36 -9.333 -6.001 13.872 1.00 0.51 H new ATOM 0 HA3 GLY A 36 -10.338 -5.477 15.208 1.00 0.51 H new ATOM 383 N GLY A 37 -9.422 -3.340 12.864 1.00 0.41 N ATOM 384 CA GLY A 37 -9.921 -2.294 11.991 1.00 0.40 C ATOM 385 C GLY A 37 -10.765 -2.839 10.859 1.00 0.39 C ATOM 386 O GLY A 37 -11.902 -2.411 10.659 1.00 0.52 O ATOM 0 H GLY A 37 -8.407 -3.438 12.876 1.00 0.41 H new ATOM 0 HA2 GLY A 37 -10.513 -1.589 12.575 1.00 0.40 H new ATOM 0 HA3 GLY A 37 -9.080 -1.738 11.578 1.00 0.40 H new ATOM 390 N LEU A 38 -10.208 -3.777 10.110 1.00 0.36 N ATOM 391 CA LEU A 38 -10.951 -4.443 9.050 1.00 0.41 C ATOM 392 C LEU A 38 -11.669 -5.673 9.602 1.00 0.49 C ATOM 393 O LEU A 38 -11.589 -5.956 10.800 1.00 0.83 O ATOM 394 CB LEU A 38 -10.027 -4.840 7.885 1.00 0.44 C ATOM 395 CG LEU A 38 -9.621 -3.713 6.918 1.00 0.44 C ATOM 396 CD1 LEU A 38 -10.849 -3.039 6.330 1.00 0.51 C ATOM 397 CD2 LEU A 38 -8.733 -2.686 7.601 1.00 0.47 C ATOM 0 H LEU A 38 -9.245 -4.095 10.216 1.00 0.36 H new ATOM 0 HA LEU A 38 -11.692 -3.742 8.665 1.00 0.41 H new ATOM 0 HB2 LEU A 38 -9.119 -5.276 8.302 1.00 0.44 H new ATOM 0 HB3 LEU A 38 -10.521 -5.623 7.309 1.00 0.44 H new ATOM 0 HG LEU A 38 -9.049 -4.167 6.109 1.00 0.44 H new ATOM 0 HD11 LEU A 38 -10.538 -2.246 5.650 1.00 0.51 H new ATOM 0 HD12 LEU A 38 -11.441 -3.774 5.784 1.00 0.51 H new ATOM 0 HD13 LEU A 38 -11.450 -2.613 7.133 1.00 0.51 H new ATOM 0 HD21 LEU A 38 -8.466 -1.905 6.889 1.00 0.47 H new ATOM 0 HD22 LEU A 38 -9.268 -2.243 8.441 1.00 0.47 H new ATOM 0 HD23 LEU A 38 -7.827 -3.172 7.964 1.00 0.47 H new ATOM 409 N SER A 39 -12.369 -6.396 8.740 1.00 0.47 N ATOM 410 CA SER A 39 -13.111 -7.577 9.161 1.00 0.54 C ATOM 411 C SER A 39 -12.158 -8.737 9.464 1.00 0.48 C ATOM 412 O SER A 39 -10.962 -8.647 9.185 1.00 0.46 O ATOM 413 CB SER A 39 -14.122 -7.974 8.080 1.00 0.67 C ATOM 414 OG SER A 39 -14.994 -8.996 8.533 1.00 1.42 O ATOM 0 H SER A 39 -12.439 -6.186 7.744 1.00 0.47 H new ATOM 0 HA SER A 39 -13.653 -7.340 10.076 1.00 0.54 H new ATOM 0 HB2 SER A 39 -14.705 -7.101 7.787 1.00 0.67 H new ATOM 0 HB3 SER A 39 -13.591 -8.315 7.191 1.00 0.67 H new ATOM 0 HG SER A 39 -15.627 -9.225 7.821 1.00 1.42 H new ATOM 420 N SER A 40 -12.686 -9.818 10.023 1.00 0.60 N ATOM 421 CA SER A 40 -11.863 -10.936 10.474 1.00 0.61 C ATOM 422 C SER A 40 -11.038 -11.536 9.331 1.00 0.53 C ATOM 423 O SER A 40 -9.815 -11.666 9.438 1.00 0.50 O ATOM 424 CB SER A 40 -12.750 -12.007 11.106 1.00 0.77 C ATOM 425 OG SER A 40 -13.570 -11.451 12.124 1.00 1.63 O ATOM 0 H SER A 40 -13.686 -9.946 10.176 1.00 0.60 H new ATOM 0 HA SER A 40 -11.161 -10.557 11.217 1.00 0.61 H new ATOM 0 HB2 SER A 40 -13.375 -12.465 10.340 1.00 0.77 H new ATOM 0 HB3 SER A 40 -12.129 -12.798 11.526 1.00 0.77 H new ATOM 0 HG SER A 40 -14.130 -12.154 12.513 1.00 1.63 H new ATOM 431 N ASP A 41 -11.707 -11.884 8.236 1.00 0.57 N ATOM 432 CA ASP A 41 -11.035 -12.480 7.084 1.00 0.58 C ATOM 433 C ASP A 41 -10.123 -11.461 6.414 1.00 0.53 C ATOM 434 O ASP A 41 -9.079 -11.806 5.859 1.00 0.56 O ATOM 435 CB ASP A 41 -12.059 -13.008 6.077 1.00 0.71 C ATOM 436 CG ASP A 41 -11.409 -13.696 4.891 1.00 1.25 C ATOM 437 OD1 ASP A 41 -11.037 -14.880 5.016 1.00 1.69 O ATOM 438 OD2 ASP A 41 -11.271 -13.059 3.826 1.00 2.20 O ATOM 0 H ASP A 41 -12.713 -11.764 8.121 1.00 0.57 H new ATOM 0 HA ASP A 41 -10.430 -13.315 7.437 1.00 0.58 H new ATOM 0 HB2 ASP A 41 -12.727 -13.709 6.577 1.00 0.71 H new ATOM 0 HB3 ASP A 41 -12.673 -12.181 5.721 1.00 0.71 H new ATOM 443 N ALA A 42 -10.522 -10.201 6.477 1.00 0.51 N ATOM 444 CA ALA A 42 -9.731 -9.117 5.920 1.00 0.51 C ATOM 445 C ALA A 42 -8.436 -8.937 6.705 1.00 0.47 C ATOM 446 O ALA A 42 -7.375 -8.716 6.123 1.00 0.52 O ATOM 447 CB ALA A 42 -10.536 -7.830 5.920 1.00 0.54 C ATOM 0 H ALA A 42 -11.395 -9.903 6.912 1.00 0.51 H new ATOM 0 HA ALA A 42 -9.473 -9.369 4.891 1.00 0.51 H new ATOM 0 HB1 ALA A 42 -9.934 -7.024 5.501 1.00 0.54 H new ATOM 0 HB2 ALA A 42 -11.435 -7.963 5.317 1.00 0.54 H new ATOM 0 HB3 ALA A 42 -10.819 -7.578 6.942 1.00 0.54 H new ATOM 453 N GLN A 43 -8.540 -9.041 8.026 1.00 0.44 N ATOM 454 CA GLN A 43 -7.390 -8.942 8.918 1.00 0.45 C ATOM 455 C GLN A 43 -6.274 -9.891 8.503 1.00 0.45 C ATOM 456 O GLN A 43 -5.190 -9.463 8.111 1.00 0.48 O ATOM 457 CB GLN A 43 -7.813 -9.263 10.348 1.00 0.49 C ATOM 458 CG GLN A 43 -8.466 -8.107 11.076 1.00 0.82 C ATOM 459 CD GLN A 43 -9.091 -8.548 12.379 1.00 0.85 C ATOM 460 OE1 GLN A 43 -10.276 -8.872 12.441 1.00 1.56 O ATOM 461 NE2 GLN A 43 -8.289 -8.605 13.419 1.00 1.12 N ATOM 0 H GLN A 43 -9.425 -9.196 8.509 1.00 0.44 H new ATOM 0 HA GLN A 43 -7.013 -7.921 8.858 1.00 0.45 H new ATOM 0 HB2 GLN A 43 -8.506 -10.104 10.330 1.00 0.49 H new ATOM 0 HB3 GLN A 43 -6.937 -9.584 10.911 1.00 0.49 H new ATOM 0 HG2 GLN A 43 -7.723 -7.334 11.272 1.00 0.82 H new ATOM 0 HG3 GLN A 43 -9.230 -7.661 10.439 1.00 0.82 H new ATOM 0 HE21 GLN A 43 -7.312 -8.327 13.325 1.00 1.12 H new ATOM 0 HE22 GLN A 43 -8.644 -8.927 14.319 1.00 1.12 H new ATOM 470 N GLU A 44 -6.550 -11.180 8.600 1.00 0.49 N ATOM 471 CA GLU A 44 -5.585 -12.210 8.226 1.00 0.54 C ATOM 472 C GLU A 44 -5.065 -12.012 6.797 1.00 0.51 C ATOM 473 O GLU A 44 -3.910 -12.329 6.505 1.00 0.50 O ATOM 474 CB GLU A 44 -6.204 -13.600 8.382 1.00 0.68 C ATOM 475 CG GLU A 44 -7.497 -13.787 7.613 1.00 1.20 C ATOM 476 CD GLU A 44 -8.107 -15.153 7.827 1.00 1.65 C ATOM 477 OE1 GLU A 44 -7.689 -16.108 7.142 1.00 2.36 O ATOM 478 OE2 GLU A 44 -9.005 -15.281 8.681 1.00 2.20 O ATOM 0 H GLU A 44 -7.441 -11.544 8.937 1.00 0.49 H new ATOM 0 HA GLU A 44 -4.732 -12.123 8.899 1.00 0.54 H new ATOM 0 HB2 GLU A 44 -5.484 -14.347 8.049 1.00 0.68 H new ATOM 0 HB3 GLU A 44 -6.391 -13.787 9.439 1.00 0.68 H new ATOM 0 HG2 GLU A 44 -8.211 -13.022 7.918 1.00 1.20 H new ATOM 0 HG3 GLU A 44 -7.308 -13.640 6.550 1.00 1.20 H new ATOM 485 N SER A 45 -5.907 -11.471 5.920 1.00 0.54 N ATOM 486 CA SER A 45 -5.500 -11.188 4.549 1.00 0.59 C ATOM 487 C SER A 45 -4.455 -10.071 4.509 1.00 0.55 C ATOM 488 O SER A 45 -3.523 -10.117 3.706 1.00 0.58 O ATOM 489 CB SER A 45 -6.716 -10.813 3.697 1.00 0.71 C ATOM 490 OG SER A 45 -7.643 -11.887 3.632 1.00 1.04 O ATOM 0 H SER A 45 -6.872 -11.221 6.135 1.00 0.54 H new ATOM 0 HA SER A 45 -5.049 -12.090 4.135 1.00 0.59 H new ATOM 0 HB2 SER A 45 -7.202 -9.933 4.118 1.00 0.71 H new ATOM 0 HB3 SER A 45 -6.391 -10.547 2.691 1.00 0.71 H new ATOM 0 HG SER A 45 -8.367 -11.733 4.274 1.00 1.04 H new ATOM 496 N LEU A 46 -4.602 -9.081 5.388 1.00 0.56 N ATOM 497 CA LEU A 46 -3.628 -7.996 5.477 1.00 0.60 C ATOM 498 C LEU A 46 -2.279 -8.546 5.890 1.00 0.50 C ATOM 499 O LEU A 46 -1.254 -8.143 5.358 1.00 0.48 O ATOM 500 CB LEU A 46 -4.056 -6.920 6.482 1.00 0.74 C ATOM 501 CG LEU A 46 -5.409 -6.263 6.216 1.00 0.75 C ATOM 502 CD1 LEU A 46 -5.670 -5.145 7.206 1.00 1.28 C ATOM 503 CD2 LEU A 46 -5.476 -5.731 4.795 1.00 1.14 C ATOM 0 H LEU A 46 -5.380 -9.008 6.044 1.00 0.56 H new ATOM 0 HA LEU A 46 -3.565 -7.536 4.491 1.00 0.60 H new ATOM 0 HB2 LEU A 46 -4.079 -7.367 7.476 1.00 0.74 H new ATOM 0 HB3 LEU A 46 -3.293 -6.142 6.500 1.00 0.74 H new ATOM 0 HG LEU A 46 -6.181 -7.022 6.341 1.00 0.75 H new ATOM 0 HD11 LEU A 46 -6.639 -4.692 6.996 1.00 1.28 H new ATOM 0 HD12 LEU A 46 -5.669 -5.548 8.219 1.00 1.28 H new ATOM 0 HD13 LEU A 46 -4.890 -4.389 7.116 1.00 1.28 H new ATOM 0 HD21 LEU A 46 -6.448 -5.267 4.626 1.00 1.14 H new ATOM 0 HD22 LEU A 46 -4.690 -4.991 4.646 1.00 1.14 H new ATOM 0 HD23 LEU A 46 -5.339 -6.553 4.092 1.00 1.14 H new ATOM 515 N GLU A 47 -2.294 -9.480 6.835 1.00 0.49 N ATOM 516 CA GLU A 47 -1.069 -10.107 7.315 1.00 0.48 C ATOM 517 C GLU A 47 -0.315 -10.760 6.165 1.00 0.43 C ATOM 518 O GLU A 47 0.864 -10.483 5.952 1.00 0.45 O ATOM 519 CB GLU A 47 -1.384 -11.155 8.377 1.00 0.55 C ATOM 520 CG GLU A 47 -2.051 -10.595 9.616 1.00 0.81 C ATOM 521 CD GLU A 47 -2.323 -11.666 10.645 1.00 1.06 C ATOM 522 OE1 GLU A 47 -3.348 -12.363 10.522 1.00 1.51 O ATOM 523 OE2 GLU A 47 -1.508 -11.832 11.573 1.00 1.76 O ATOM 0 H GLU A 47 -3.144 -9.820 7.285 1.00 0.49 H new ATOM 0 HA GLU A 47 -0.444 -9.330 7.755 1.00 0.48 H new ATOM 0 HB2 GLU A 47 -2.031 -11.916 7.941 1.00 0.55 H new ATOM 0 HB3 GLU A 47 -0.459 -11.652 8.668 1.00 0.55 H new ATOM 0 HG2 GLU A 47 -1.415 -9.825 10.053 1.00 0.81 H new ATOM 0 HG3 GLU A 47 -2.988 -10.114 9.337 1.00 0.81 H new ATOM 530 N VAL A 48 -1.008 -11.610 5.413 1.00 0.41 N ATOM 531 CA VAL A 48 -0.401 -12.293 4.277 1.00 0.42 C ATOM 532 C VAL A 48 0.166 -11.276 3.291 1.00 0.41 C ATOM 533 O VAL A 48 1.268 -11.447 2.766 1.00 0.43 O ATOM 534 CB VAL A 48 -1.410 -13.205 3.546 1.00 0.46 C ATOM 535 CG1 VAL A 48 -0.718 -14.007 2.454 1.00 0.49 C ATOM 536 CG2 VAL A 48 -2.107 -14.135 4.524 1.00 0.49 C ATOM 0 H VAL A 48 -1.989 -11.842 5.570 1.00 0.41 H new ATOM 0 HA VAL A 48 0.401 -12.919 4.668 1.00 0.42 H new ATOM 0 HB VAL A 48 -2.164 -12.568 3.082 1.00 0.46 H new ATOM 0 HG11 VAL A 48 -1.447 -14.643 1.952 1.00 0.49 H new ATOM 0 HG12 VAL A 48 -0.271 -13.326 1.730 1.00 0.49 H new ATOM 0 HG13 VAL A 48 0.061 -14.628 2.897 1.00 0.49 H new ATOM 0 HG21 VAL A 48 -2.813 -14.767 3.985 1.00 0.49 H new ATOM 0 HG22 VAL A 48 -1.366 -14.761 5.022 1.00 0.49 H new ATOM 0 HG23 VAL A 48 -2.643 -13.545 5.268 1.00 0.49 H new ATOM 546 N ALA A 49 -0.587 -10.207 3.063 1.00 0.41 N ATOM 547 CA ALA A 49 -0.142 -9.125 2.197 1.00 0.43 C ATOM 548 C ALA A 49 1.107 -8.460 2.761 1.00 0.43 C ATOM 549 O ALA A 49 2.052 -8.187 2.030 1.00 0.48 O ATOM 550 CB ALA A 49 -1.250 -8.100 2.016 1.00 0.44 C ATOM 0 H ALA A 49 -1.513 -10.067 3.468 1.00 0.41 H new ATOM 0 HA ALA A 49 0.105 -9.548 1.223 1.00 0.43 H new ATOM 0 HB1 ALA A 49 -0.901 -7.298 1.366 1.00 0.44 H new ATOM 0 HB2 ALA A 49 -2.119 -8.579 1.566 1.00 0.44 H new ATOM 0 HB3 ALA A 49 -1.525 -7.687 2.986 1.00 0.44 H new ATOM 556 N ILE A 50 1.100 -8.220 4.066 1.00 0.40 N ATOM 557 CA ILE A 50 2.226 -7.608 4.763 1.00 0.40 C ATOM 558 C ILE A 50 3.507 -8.417 4.559 1.00 0.38 C ATOM 559 O ILE A 50 4.537 -7.865 4.166 1.00 0.41 O ATOM 560 CB ILE A 50 1.926 -7.464 6.274 1.00 0.43 C ATOM 561 CG1 ILE A 50 0.922 -6.329 6.511 1.00 0.53 C ATOM 562 CG2 ILE A 50 3.203 -7.227 7.071 1.00 0.47 C ATOM 563 CD1 ILE A 50 0.475 -6.197 7.953 1.00 0.61 C ATOM 0 H ILE A 50 0.312 -8.445 4.673 1.00 0.40 H new ATOM 0 HA ILE A 50 2.374 -6.615 4.339 1.00 0.40 H new ATOM 0 HB ILE A 50 1.487 -8.399 6.622 1.00 0.43 H new ATOM 0 HG12 ILE A 50 1.370 -5.388 6.192 1.00 0.53 H new ATOM 0 HG13 ILE A 50 0.047 -6.494 5.883 1.00 0.53 H new ATOM 0 HG21 ILE A 50 2.959 -7.130 8.129 1.00 0.47 H new ATOM 0 HG22 ILE A 50 3.881 -8.069 6.931 1.00 0.47 H new ATOM 0 HG23 ILE A 50 3.684 -6.312 6.724 1.00 0.47 H new ATOM 0 HD11 ILE A 50 -0.234 -5.373 8.040 1.00 0.61 H new ATOM 0 HD12 ILE A 50 -0.004 -7.123 8.272 1.00 0.61 H new ATOM 0 HD13 ILE A 50 1.340 -6.000 8.586 1.00 0.61 H new ATOM 575 N GLN A 51 3.434 -9.725 4.810 1.00 0.39 N ATOM 576 CA GLN A 51 4.586 -10.604 4.615 1.00 0.43 C ATOM 577 C GLN A 51 5.078 -10.536 3.172 1.00 0.43 C ATOM 578 O GLN A 51 6.282 -10.481 2.915 1.00 0.47 O ATOM 579 CB GLN A 51 4.250 -12.057 4.974 1.00 0.50 C ATOM 580 CG GLN A 51 4.367 -12.388 6.457 1.00 0.78 C ATOM 581 CD GLN A 51 3.243 -11.816 7.298 1.00 1.02 C ATOM 582 OE1 GLN A 51 2.210 -12.458 7.490 1.00 1.84 O ATOM 583 NE2 GLN A 51 3.443 -10.620 7.824 1.00 1.35 N ATOM 0 H GLN A 51 2.594 -10.196 5.147 1.00 0.39 H new ATOM 0 HA GLN A 51 5.375 -10.256 5.282 1.00 0.43 H new ATOM 0 HB2 GLN A 51 3.233 -12.272 4.646 1.00 0.50 H new ATOM 0 HB3 GLN A 51 4.912 -12.718 4.414 1.00 0.50 H new ATOM 0 HG2 GLN A 51 4.385 -13.471 6.578 1.00 0.78 H new ATOM 0 HG3 GLN A 51 5.318 -12.009 6.831 1.00 0.78 H new ATOM 0 HE21 GLN A 51 4.313 -10.121 7.640 1.00 1.35 H new ATOM 0 HE22 GLN A 51 2.727 -10.196 8.414 1.00 1.35 H new ATOM 592 N CYS A 52 4.138 -10.528 2.237 1.00 0.45 N ATOM 593 CA CYS A 52 4.468 -10.470 0.822 1.00 0.53 C ATOM 594 C CYS A 52 5.122 -9.138 0.463 1.00 0.53 C ATOM 595 O CYS A 52 6.155 -9.114 -0.196 1.00 0.60 O ATOM 596 CB CYS A 52 3.216 -10.695 -0.022 1.00 0.59 C ATOM 597 SG CYS A 52 2.437 -12.303 0.245 1.00 0.69 S ATOM 0 H CYS A 52 3.138 -10.561 2.435 1.00 0.45 H new ATOM 0 HA CYS A 52 5.184 -11.263 0.608 1.00 0.53 H new ATOM 0 HB2 CYS A 52 2.493 -9.910 0.200 1.00 0.59 H new ATOM 0 HB3 CYS A 52 3.477 -10.599 -1.076 1.00 0.59 H new ATOM 0 HG CYS A 52 1.613 -12.225 1.247 1.00 0.69 H new ATOM 603 N LEU A 53 4.527 -8.036 0.918 1.00 0.50 N ATOM 604 CA LEU A 53 5.063 -6.701 0.655 1.00 0.54 C ATOM 605 C LEU A 53 6.461 -6.560 1.248 1.00 0.51 C ATOM 606 O LEU A 53 7.372 -6.038 0.601 1.00 0.58 O ATOM 607 CB LEU A 53 4.140 -5.623 1.238 1.00 0.63 C ATOM 608 CG LEU A 53 2.723 -5.579 0.655 1.00 0.54 C ATOM 609 CD1 LEU A 53 1.864 -4.586 1.422 1.00 0.76 C ATOM 610 CD2 LEU A 53 2.756 -5.214 -0.821 1.00 0.61 C ATOM 0 H LEU A 53 3.671 -8.042 1.472 1.00 0.50 H new ATOM 0 HA LEU A 53 5.122 -6.567 -0.425 1.00 0.54 H new ATOM 0 HB2 LEU A 53 4.066 -5.777 2.315 1.00 0.63 H new ATOM 0 HB3 LEU A 53 4.607 -4.650 1.086 1.00 0.63 H new ATOM 0 HG LEU A 53 2.285 -6.572 0.754 1.00 0.54 H new ATOM 0 HD11 LEU A 53 0.861 -4.567 0.995 1.00 0.76 H new ATOM 0 HD12 LEU A 53 1.808 -4.886 2.468 1.00 0.76 H new ATOM 0 HD13 LEU A 53 2.307 -3.592 1.353 1.00 0.76 H new ATOM 0 HD21 LEU A 53 1.739 -5.189 -1.212 1.00 0.61 H new ATOM 0 HD22 LEU A 53 3.216 -4.233 -0.943 1.00 0.61 H new ATOM 0 HD23 LEU A 53 3.337 -5.958 -1.367 1.00 0.61 H new ATOM 622 N GLU A 54 6.620 -7.039 2.476 1.00 0.47 N ATOM 623 CA GLU A 54 7.908 -7.025 3.157 1.00 0.51 C ATOM 624 C GLU A 54 8.959 -7.773 2.340 1.00 0.56 C ATOM 625 O GLU A 54 10.048 -7.257 2.080 1.00 0.65 O ATOM 626 CB GLU A 54 7.764 -7.656 4.545 1.00 0.56 C ATOM 627 CG GLU A 54 9.079 -7.851 5.279 1.00 0.73 C ATOM 628 CD GLU A 54 8.890 -8.376 6.683 1.00 1.05 C ATOM 629 OE1 GLU A 54 8.677 -9.595 6.846 1.00 1.62 O ATOM 630 OE2 GLU A 54 8.945 -7.568 7.635 1.00 1.65 O ATOM 0 H GLU A 54 5.863 -7.446 3.025 1.00 0.47 H new ATOM 0 HA GLU A 54 8.237 -5.991 3.266 1.00 0.51 H new ATOM 0 HB2 GLU A 54 7.112 -7.028 5.152 1.00 0.56 H new ATOM 0 HB3 GLU A 54 7.271 -8.623 4.443 1.00 0.56 H new ATOM 0 HG2 GLU A 54 9.705 -8.545 4.717 1.00 0.73 H new ATOM 0 HG3 GLU A 54 9.612 -6.901 5.319 1.00 0.73 H new ATOM 637 N THR A 55 8.610 -8.978 1.917 1.00 0.61 N ATOM 638 CA THR A 55 9.518 -9.819 1.154 1.00 0.78 C ATOM 639 C THR A 55 9.754 -9.244 -0.245 1.00 0.83 C ATOM 640 O THR A 55 10.821 -9.418 -0.832 1.00 0.98 O ATOM 641 CB THR A 55 8.960 -11.252 1.039 1.00 0.95 C ATOM 642 OG1 THR A 55 8.571 -11.731 2.336 1.00 1.00 O ATOM 643 CG2 THR A 55 9.990 -12.196 0.442 1.00 1.16 C ATOM 0 H THR A 55 7.697 -9.398 2.091 1.00 0.61 H new ATOM 0 HA THR A 55 10.470 -9.847 1.684 1.00 0.78 H new ATOM 0 HB THR A 55 8.093 -11.223 0.379 1.00 0.95 H new ATOM 0 HG1 THR A 55 7.672 -11.403 2.550 1.00 1.00 H new ATOM 0 HG21 THR A 55 9.568 -13.199 0.373 1.00 1.16 H new ATOM 0 HG22 THR A 55 10.267 -11.850 -0.554 1.00 1.16 H new ATOM 0 HG23 THR A 55 10.875 -12.218 1.078 1.00 1.16 H new ATOM 651 N ALA A 56 8.754 -8.545 -0.762 1.00 0.77 N ATOM 652 CA ALA A 56 8.814 -7.985 -2.105 1.00 0.88 C ATOM 653 C ALA A 56 9.727 -6.766 -2.176 1.00 0.88 C ATOM 654 O ALA A 56 10.735 -6.778 -2.878 1.00 1.15 O ATOM 655 CB ALA A 56 7.421 -7.616 -2.576 1.00 0.90 C ATOM 0 H ALA A 56 7.884 -8.351 -0.267 1.00 0.77 H new ATOM 0 HA ALA A 56 9.233 -8.749 -2.760 1.00 0.88 H new ATOM 0 HB1 ALA A 56 7.476 -7.198 -3.581 1.00 0.90 H new ATOM 0 HB2 ALA A 56 6.793 -8.507 -2.587 1.00 0.90 H new ATOM 0 HB3 ALA A 56 6.992 -6.878 -1.899 1.00 0.90 H new ATOM 661 N PHE A 57 9.373 -5.716 -1.444 1.00 0.76 N ATOM 662 CA PHE A 57 10.103 -4.461 -1.505 1.00 1.05 C ATOM 663 C PHE A 57 11.488 -4.581 -0.874 1.00 1.56 C ATOM 664 O PHE A 57 12.362 -3.748 -1.113 1.00 2.05 O ATOM 665 CB PHE A 57 9.318 -3.360 -0.799 1.00 1.04 C ATOM 666 CG PHE A 57 8.069 -2.921 -1.511 1.00 0.93 C ATOM 667 CD1 PHE A 57 8.112 -1.908 -2.454 1.00 1.47 C ATOM 668 CD2 PHE A 57 6.846 -3.499 -1.215 1.00 1.50 C ATOM 669 CE1 PHE A 57 6.958 -1.477 -3.083 1.00 1.46 C ATOM 670 CE2 PHE A 57 5.692 -3.076 -1.845 1.00 1.50 C ATOM 671 CZ PHE A 57 5.748 -2.062 -2.778 1.00 0.92 C ATOM 0 H PHE A 57 8.582 -5.712 -0.800 1.00 0.76 H new ATOM 0 HA PHE A 57 10.229 -4.208 -2.558 1.00 1.05 H new ATOM 0 HB2 PHE A 57 9.048 -3.708 0.198 1.00 1.04 H new ATOM 0 HB3 PHE A 57 9.969 -2.495 -0.669 1.00 1.04 H new ATOM 0 HD1 PHE A 57 9.058 -1.449 -2.701 1.00 1.47 H new ATOM 0 HD2 PHE A 57 6.794 -4.291 -0.482 1.00 1.50 H new ATOM 0 HE1 PHE A 57 7.005 -0.682 -3.813 1.00 1.46 H new ATOM 0 HE2 PHE A 57 4.746 -3.539 -1.607 1.00 1.50 H new ATOM 0 HZ PHE A 57 4.846 -1.727 -3.268 1.00 0.92 H new ATOM 681 N GLY A 58 11.676 -5.617 -0.066 1.00 1.71 N ATOM 682 CA GLY A 58 12.943 -5.811 0.605 1.00 2.29 C ATOM 683 C GLY A 58 13.058 -4.953 1.844 1.00 2.05 C ATOM 684 O GLY A 58 14.156 -4.582 2.260 1.00 2.60 O ATOM 0 H GLY A 58 10.971 -6.326 0.136 1.00 1.71 H new ATOM 0 HA2 GLY A 58 13.053 -6.861 0.878 1.00 2.29 H new ATOM 0 HA3 GLY A 58 13.757 -5.573 -0.079 1.00 2.29 H new ATOM 688 N VAL A 59 11.916 -4.633 2.431 1.00 1.35 N ATOM 689 CA VAL A 59 11.875 -3.796 3.619 1.00 1.13 C ATOM 690 C VAL A 59 11.705 -4.652 4.867 1.00 1.04 C ATOM 691 O VAL A 59 11.146 -5.742 4.805 1.00 1.22 O ATOM 692 CB VAL A 59 10.735 -2.754 3.541 1.00 0.93 C ATOM 693 CG1 VAL A 59 10.961 -1.808 2.374 1.00 1.23 C ATOM 694 CG2 VAL A 59 9.378 -3.430 3.413 1.00 1.00 C ATOM 0 H VAL A 59 11.001 -4.942 2.102 1.00 1.35 H new ATOM 0 HA VAL A 59 12.823 -3.260 3.675 1.00 1.13 H new ATOM 0 HB VAL A 59 10.742 -2.181 4.468 1.00 0.93 H new ATOM 0 HG11 VAL A 59 10.150 -1.081 2.333 1.00 1.23 H new ATOM 0 HG12 VAL A 59 11.909 -1.287 2.506 1.00 1.23 H new ATOM 0 HG13 VAL A 59 10.986 -2.377 1.444 1.00 1.23 H new ATOM 0 HG21 VAL A 59 8.597 -2.671 3.360 1.00 1.00 H new ATOM 0 HG22 VAL A 59 9.357 -4.036 2.507 1.00 1.00 H new ATOM 0 HG23 VAL A 59 9.206 -4.068 4.280 1.00 1.00 H new ATOM 704 N THR A 60 12.212 -4.167 5.987 1.00 1.18 N ATOM 705 CA THR A 60 12.093 -4.871 7.256 1.00 1.30 C ATOM 706 C THR A 60 11.760 -3.884 8.366 1.00 1.16 C ATOM 707 O THR A 60 11.487 -2.715 8.094 1.00 1.15 O ATOM 708 CB THR A 60 13.398 -5.620 7.619 1.00 1.94 C ATOM 709 OG1 THR A 60 14.503 -4.704 7.640 1.00 2.24 O ATOM 710 CG2 THR A 60 13.684 -6.740 6.632 1.00 2.38 C ATOM 0 H THR A 60 12.714 -3.281 6.045 1.00 1.18 H new ATOM 0 HA THR A 60 11.294 -5.605 7.152 1.00 1.30 H new ATOM 0 HB THR A 60 13.267 -6.058 8.608 1.00 1.94 H new ATOM 0 HG1 THR A 60 15.217 -5.066 8.205 1.00 2.24 H new ATOM 0 HG21 THR A 60 14.607 -7.247 6.914 1.00 2.38 H new ATOM 0 HG22 THR A 60 12.860 -7.454 6.643 1.00 2.38 H new ATOM 0 HG23 THR A 60 13.790 -6.324 5.630 1.00 2.38 H new ATOM 718 N VAL A 61 11.790 -4.339 9.611 1.00 1.41 N ATOM 719 CA VAL A 61 11.618 -3.445 10.749 1.00 1.59 C ATOM 720 C VAL A 61 12.750 -2.410 10.779 1.00 1.83 C ATOM 721 O VAL A 61 12.582 -1.301 11.279 1.00 2.11 O ATOM 722 CB VAL A 61 11.568 -4.233 12.080 1.00 1.81 C ATOM 723 CG1 VAL A 61 12.848 -5.026 12.291 1.00 2.21 C ATOM 724 CG2 VAL A 61 11.306 -3.303 13.258 1.00 1.95 C ATOM 0 H VAL A 61 11.931 -5.318 9.859 1.00 1.41 H new ATOM 0 HA VAL A 61 10.666 -2.927 10.635 1.00 1.59 H new ATOM 0 HB VAL A 61 10.739 -4.939 12.019 1.00 1.81 H new ATOM 0 HG11 VAL A 61 12.787 -5.571 13.233 1.00 2.21 H new ATOM 0 HG12 VAL A 61 12.978 -5.732 11.471 1.00 2.21 H new ATOM 0 HG13 VAL A 61 13.698 -4.344 12.320 1.00 2.21 H new ATOM 0 HG21 VAL A 61 11.276 -3.883 14.180 1.00 1.95 H new ATOM 0 HG22 VAL A 61 12.103 -2.562 13.321 1.00 1.95 H new ATOM 0 HG23 VAL A 61 10.351 -2.797 13.117 1.00 1.95 H new ATOM 734 N GLU A 62 13.887 -2.777 10.198 1.00 1.89 N ATOM 735 CA GLU A 62 15.024 -1.876 10.068 1.00 2.16 C ATOM 736 C GLU A 62 14.685 -0.755 9.092 1.00 1.64 C ATOM 737 O GLU A 62 14.994 0.418 9.318 1.00 1.65 O ATOM 738 CB GLU A 62 16.228 -2.660 9.559 1.00 2.87 C ATOM 739 CG GLU A 62 16.532 -3.893 10.389 1.00 3.13 C ATOM 740 CD GLU A 62 17.334 -4.918 9.625 1.00 3.57 C ATOM 741 OE1 GLU A 62 16.724 -5.718 8.886 1.00 4.01 O ATOM 742 OE2 GLU A 62 18.576 -4.933 9.759 1.00 3.98 O ATOM 0 H GLU A 62 14.045 -3.705 9.805 1.00 1.89 H new ATOM 0 HA GLU A 62 15.258 -1.440 11.039 1.00 2.16 H new ATOM 0 HB2 GLU A 62 16.048 -2.960 8.527 1.00 2.87 H new ATOM 0 HB3 GLU A 62 17.102 -2.009 9.554 1.00 2.87 H new ATOM 0 HG2 GLU A 62 17.081 -3.599 11.283 1.00 3.13 H new ATOM 0 HG3 GLU A 62 15.597 -4.343 10.723 1.00 3.13 H new ATOM 749 N ASP A 63 14.019 -1.128 8.010 1.00 1.38 N ATOM 750 CA ASP A 63 13.582 -0.160 7.014 1.00 1.61 C ATOM 751 C ASP A 63 12.397 0.624 7.561 1.00 1.60 C ATOM 752 O ASP A 63 12.058 1.698 7.081 1.00 1.95 O ATOM 753 CB ASP A 63 13.201 -0.873 5.719 1.00 1.89 C ATOM 754 CG ASP A 63 13.489 -0.035 4.494 1.00 2.88 C ATOM 755 OD1 ASP A 63 14.643 -0.076 4.007 1.00 3.35 O ATOM 756 OD2 ASP A 63 12.576 0.651 4.002 1.00 3.62 O ATOM 0 H ASP A 63 13.769 -2.094 7.799 1.00 1.38 H new ATOM 0 HA ASP A 63 14.397 0.531 6.796 1.00 1.61 H new ATOM 0 HB2 ASP A 63 13.749 -1.813 5.650 1.00 1.89 H new ATOM 0 HB3 ASP A 63 12.140 -1.123 5.744 1.00 1.89 H new ATOM 761 N SER A 64 11.774 0.066 8.586 1.00 1.54 N ATOM 762 CA SER A 64 10.710 0.744 9.299 1.00 1.81 C ATOM 763 C SER A 64 11.303 1.658 10.368 1.00 1.74 C ATOM 764 O SER A 64 10.612 2.502 10.934 1.00 1.93 O ATOM 765 CB SER A 64 9.766 -0.282 9.933 1.00 2.41 C ATOM 766 OG SER A 64 8.657 0.348 10.545 1.00 2.91 O ATOM 0 H SER A 64 11.992 -0.864 8.944 1.00 1.54 H new ATOM 0 HA SER A 64 10.139 1.352 8.597 1.00 1.81 H new ATOM 0 HB2 SER A 64 9.416 -0.977 9.170 1.00 2.41 H new ATOM 0 HB3 SER A 64 10.308 -0.869 10.674 1.00 2.41 H new ATOM 0 HG SER A 64 8.883 1.279 10.752 1.00 2.91 H new ATOM 772 N ASP A 65 12.593 1.481 10.632 1.00 1.69 N ATOM 773 CA ASP A 65 13.301 2.300 11.606 1.00 2.03 C ATOM 774 C ASP A 65 13.657 3.648 10.995 1.00 1.90 C ATOM 775 O ASP A 65 13.725 4.661 11.691 1.00 2.28 O ATOM 776 CB ASP A 65 14.558 1.579 12.098 1.00 2.26 C ATOM 777 CG ASP A 65 15.386 2.420 13.045 1.00 2.89 C ATOM 778 OD1 ASP A 65 14.929 2.680 14.179 1.00 3.46 O ATOM 779 OD2 ASP A 65 16.502 2.826 12.658 1.00 3.35 O ATOM 0 H ASP A 65 13.172 0.772 10.181 1.00 1.69 H new ATOM 0 HA ASP A 65 12.649 2.469 12.463 1.00 2.03 H new ATOM 0 HB2 ASP A 65 14.268 0.655 12.599 1.00 2.26 H new ATOM 0 HB3 ASP A 65 15.169 1.298 11.240 1.00 2.26 H new ATOM 784 N LEU A 66 13.853 3.663 9.679 1.00 1.52 N ATOM 785 CA LEU A 66 14.054 4.919 8.951 1.00 1.61 C ATOM 786 C LEU A 66 12.707 5.593 8.657 1.00 1.45 C ATOM 787 O LEU A 66 12.563 6.335 7.682 1.00 1.72 O ATOM 788 CB LEU A 66 14.861 4.682 7.658 1.00 1.77 C ATOM 789 CG LEU A 66 14.335 3.600 6.705 1.00 1.59 C ATOM 790 CD1 LEU A 66 13.342 4.177 5.704 1.00 1.87 C ATOM 791 CD2 LEU A 66 15.489 2.934 5.977 1.00 1.57 C ATOM 0 H LEU A 66 13.877 2.827 9.095 1.00 1.52 H new ATOM 0 HA LEU A 66 14.634 5.594 9.580 1.00 1.61 H new ATOM 0 HB2 LEU A 66 14.910 5.623 7.110 1.00 1.77 H new ATOM 0 HB3 LEU A 66 15.882 4.422 7.937 1.00 1.77 H new ATOM 0 HG LEU A 66 13.813 2.853 7.302 1.00 1.59 H new ATOM 0 HD11 LEU A 66 12.989 3.385 5.044 1.00 1.87 H new ATOM 0 HD12 LEU A 66 12.496 4.608 6.238 1.00 1.87 H new ATOM 0 HD13 LEU A 66 13.830 4.951 5.112 1.00 1.87 H new ATOM 0 HD21 LEU A 66 15.102 2.169 5.304 1.00 1.57 H new ATOM 0 HD22 LEU A 66 16.035 3.681 5.401 1.00 1.57 H new ATOM 0 HD23 LEU A 66 16.160 2.474 6.702 1.00 1.57 H new ATOM 803 N ALA A 67 11.739 5.337 9.535 1.00 1.30 N ATOM 804 CA ALA A 67 10.372 5.826 9.389 1.00 1.26 C ATOM 805 C ALA A 67 10.305 7.334 9.191 1.00 1.27 C ATOM 806 O ALA A 67 11.010 8.101 9.851 1.00 1.53 O ATOM 807 CB ALA A 67 9.551 5.433 10.601 1.00 1.48 C ATOM 0 H ALA A 67 11.885 4.778 10.376 1.00 1.30 H new ATOM 0 HA ALA A 67 9.962 5.364 8.491 1.00 1.26 H new ATOM 0 HB1 ALA A 67 8.532 5.801 10.485 1.00 1.48 H new ATOM 0 HB2 ALA A 67 9.536 4.347 10.694 1.00 1.48 H new ATOM 0 HB3 ALA A 67 9.994 5.868 11.497 1.00 1.48 H new ATOM 813 N LEU A 68 9.439 7.743 8.275 1.00 1.15 N ATOM 814 CA LEU A 68 9.202 9.151 7.994 1.00 1.28 C ATOM 815 C LEU A 68 8.525 9.831 9.186 1.00 1.55 C ATOM 816 O LEU A 68 7.877 9.158 9.991 1.00 1.55 O ATOM 817 CB LEU A 68 8.340 9.294 6.729 1.00 1.24 C ATOM 818 CG LEU A 68 9.022 8.861 5.427 1.00 1.18 C ATOM 819 CD1 LEU A 68 8.055 8.945 4.253 1.00 1.20 C ATOM 820 CD2 LEU A 68 10.250 9.718 5.159 1.00 1.18 C ATOM 0 H LEU A 68 8.881 7.107 7.705 1.00 1.15 H new ATOM 0 HA LEU A 68 10.160 9.642 7.824 1.00 1.28 H new ATOM 0 HB2 LEU A 68 7.432 8.706 6.858 1.00 1.24 H new ATOM 0 HB3 LEU A 68 8.034 10.336 6.632 1.00 1.24 H new ATOM 0 HG LEU A 68 9.336 7.823 5.539 1.00 1.18 H new ATOM 0 HD11 LEU A 68 8.563 8.633 3.340 1.00 1.20 H new ATOM 0 HD12 LEU A 68 7.203 8.291 4.436 1.00 1.20 H new ATOM 0 HD13 LEU A 68 7.707 9.972 4.141 1.00 1.20 H new ATOM 0 HD21 LEU A 68 10.722 9.397 4.231 1.00 1.18 H new ATOM 0 HD22 LEU A 68 9.953 10.763 5.072 1.00 1.18 H new ATOM 0 HD23 LEU A 68 10.956 9.609 5.982 1.00 1.18 H new ATOM 832 N PRO A 69 8.687 11.164 9.323 1.00 1.93 N ATOM 833 CA PRO A 69 8.169 11.940 10.460 1.00 2.35 C ATOM 834 C PRO A 69 6.743 11.562 10.855 1.00 2.24 C ATOM 835 O PRO A 69 6.457 11.321 12.029 1.00 2.61 O ATOM 836 CB PRO A 69 8.210 13.394 9.961 1.00 2.74 C ATOM 837 CG PRO A 69 8.645 13.327 8.530 1.00 2.56 C ATOM 838 CD PRO A 69 9.394 12.037 8.384 1.00 2.06 C ATOM 0 HA PRO A 69 8.762 11.758 11.356 1.00 2.35 H new ATOM 0 HB2 PRO A 69 7.231 13.865 10.050 1.00 2.74 H new ATOM 0 HB3 PRO A 69 8.905 13.990 10.553 1.00 2.74 H new ATOM 0 HG2 PRO A 69 7.786 13.357 7.860 1.00 2.56 H new ATOM 0 HG3 PRO A 69 9.278 14.177 8.275 1.00 2.56 H new ATOM 0 HD2 PRO A 69 9.354 11.656 7.364 1.00 2.06 H new ATOM 0 HD3 PRO A 69 10.447 12.146 8.643 1.00 2.06 H new ATOM 846 N GLN A 70 5.856 11.503 9.876 1.00 1.83 N ATOM 847 CA GLN A 70 4.466 11.172 10.133 1.00 1.81 C ATOM 848 C GLN A 70 4.086 9.901 9.389 1.00 1.42 C ATOM 849 O GLN A 70 4.774 9.492 8.454 1.00 1.30 O ATOM 850 CB GLN A 70 3.558 12.327 9.710 1.00 1.92 C ATOM 851 CG GLN A 70 3.501 12.554 8.209 1.00 1.65 C ATOM 852 CD GLN A 70 2.768 13.830 7.851 1.00 2.17 C ATOM 853 OE1 GLN A 70 3.382 14.889 7.696 1.00 2.65 O ATOM 854 NE2 GLN A 70 1.452 13.750 7.746 1.00 2.75 N ATOM 0 H GLN A 70 6.075 11.680 8.896 1.00 1.83 H new ATOM 0 HA GLN A 70 4.337 11.004 11.202 1.00 1.81 H new ATOM 0 HB2 GLN A 70 2.549 12.135 10.076 1.00 1.92 H new ATOM 0 HB3 GLN A 70 3.903 13.242 10.192 1.00 1.92 H new ATOM 0 HG2 GLN A 70 4.515 12.595 7.811 1.00 1.65 H new ATOM 0 HG3 GLN A 70 3.006 11.707 7.734 1.00 1.65 H new ATOM 0 HE21 GLN A 70 0.983 12.854 7.882 1.00 2.75 H new ATOM 0 HE22 GLN A 70 0.906 14.584 7.529 1.00 2.75 H new ATOM 863 N THR A 71 2.998 9.277 9.816 1.00 1.36 N ATOM 864 CA THR A 71 2.515 8.067 9.178 1.00 1.13 C ATOM 865 C THR A 71 1.978 8.370 7.782 1.00 0.86 C ATOM 866 O THR A 71 1.362 9.413 7.540 1.00 0.83 O ATOM 867 CB THR A 71 1.421 7.398 10.028 1.00 1.23 C ATOM 868 OG1 THR A 71 0.472 8.378 10.465 1.00 1.53 O ATOM 869 CG2 THR A 71 2.023 6.694 11.236 1.00 1.55 C ATOM 0 H THR A 71 2.433 9.592 10.605 1.00 1.36 H new ATOM 0 HA THR A 71 3.355 7.379 9.089 1.00 1.13 H new ATOM 0 HB THR A 71 0.918 6.655 9.410 1.00 1.23 H new ATOM 0 HG1 THR A 71 -0.365 7.934 10.717 1.00 1.53 H new ATOM 0 HG21 THR A 71 1.228 6.230 11.820 1.00 1.55 H new ATOM 0 HG22 THR A 71 2.722 5.928 10.900 1.00 1.55 H new ATOM 0 HG23 THR A 71 2.551 7.420 11.855 1.00 1.55 H new ATOM 877 N LEU A 72 2.224 7.446 6.869 1.00 0.80 N ATOM 878 CA LEU A 72 1.909 7.647 5.461 1.00 0.65 C ATOM 879 C LEU A 72 0.431 7.420 5.144 1.00 0.65 C ATOM 880 O LEU A 72 -0.121 8.144 4.322 1.00 0.66 O ATOM 881 CB LEU A 72 2.796 6.775 4.575 1.00 0.78 C ATOM 882 CG LEU A 72 4.260 7.232 4.447 1.00 0.97 C ATOM 883 CD1 LEU A 72 4.327 8.657 3.922 1.00 1.47 C ATOM 884 CD2 LEU A 72 4.998 7.125 5.777 1.00 1.79 C ATOM 0 H LEU A 72 2.645 6.541 7.078 1.00 0.80 H new ATOM 0 HA LEU A 72 2.116 8.694 5.242 1.00 0.65 H new ATOM 0 HB2 LEU A 72 2.784 5.758 4.968 1.00 0.78 H new ATOM 0 HB3 LEU A 72 2.357 6.736 3.578 1.00 0.78 H new ATOM 0 HG LEU A 72 4.753 6.568 3.737 1.00 0.97 H new ATOM 0 HD11 LEU A 72 5.369 8.965 3.837 1.00 1.47 H new ATOM 0 HD12 LEU A 72 3.853 8.706 2.942 1.00 1.47 H new ATOM 0 HD13 LEU A 72 3.807 9.323 4.610 1.00 1.47 H new ATOM 0 HD21 LEU A 72 6.029 7.456 5.649 1.00 1.79 H new ATOM 0 HD22 LEU A 72 4.505 7.753 6.518 1.00 1.79 H new ATOM 0 HD23 LEU A 72 4.989 6.089 6.116 1.00 1.79 H new ATOM 896 N PRO A 73 -0.246 6.412 5.743 1.00 0.75 N ATOM 897 CA PRO A 73 -1.704 6.298 5.629 1.00 0.84 C ATOM 898 C PRO A 73 -2.420 7.581 6.065 1.00 0.80 C ATOM 899 O PRO A 73 -3.489 7.903 5.555 1.00 0.82 O ATOM 900 CB PRO A 73 -2.041 5.135 6.561 1.00 1.03 C ATOM 901 CG PRO A 73 -0.815 4.295 6.540 1.00 1.07 C ATOM 902 CD PRO A 73 0.328 5.268 6.487 1.00 0.84 C ATOM 0 HA PRO A 73 -2.028 6.135 4.601 1.00 0.84 H new ATOM 0 HB2 PRO A 73 -2.270 5.483 7.568 1.00 1.03 H new ATOM 0 HB3 PRO A 73 -2.911 4.581 6.210 1.00 1.03 H new ATOM 0 HG2 PRO A 73 -0.754 3.664 7.427 1.00 1.07 H new ATOM 0 HG3 PRO A 73 -0.807 3.631 5.676 1.00 1.07 H new ATOM 0 HD2 PRO A 73 0.657 5.559 7.484 1.00 0.84 H new ATOM 0 HD3 PRO A 73 1.194 4.847 5.976 1.00 0.84 H new ATOM 910 N GLU A 74 -1.809 8.316 6.993 1.00 0.78 N ATOM 911 CA GLU A 74 -2.340 9.607 7.428 1.00 0.78 C ATOM 912 C GLU A 74 -2.205 10.616 6.288 1.00 0.64 C ATOM 913 O GLU A 74 -3.149 11.341 5.962 1.00 0.64 O ATOM 914 CB GLU A 74 -1.587 10.077 8.681 1.00 0.87 C ATOM 915 CG GLU A 74 -2.314 11.127 9.512 1.00 1.22 C ATOM 916 CD GLU A 74 -2.249 12.519 8.922 1.00 1.48 C ATOM 917 OE1 GLU A 74 -1.138 13.087 8.848 1.00 2.28 O ATOM 918 OE2 GLU A 74 -3.308 13.065 8.555 1.00 1.67 O ATOM 0 H GLU A 74 -0.945 8.039 7.459 1.00 0.78 H new ATOM 0 HA GLU A 74 -3.396 9.514 7.683 1.00 0.78 H new ATOM 0 HB2 GLU A 74 -1.386 9.211 9.312 1.00 0.87 H new ATOM 0 HB3 GLU A 74 -0.621 10.481 8.376 1.00 0.87 H new ATOM 0 HG2 GLU A 74 -3.359 10.835 9.618 1.00 1.22 H new ATOM 0 HG3 GLU A 74 -1.885 11.146 10.514 1.00 1.22 H new ATOM 925 N ILE A 75 -1.025 10.642 5.672 1.00 0.58 N ATOM 926 CA ILE A 75 -0.801 11.433 4.464 1.00 0.53 C ATOM 927 C ILE A 75 -1.810 11.050 3.388 1.00 0.49 C ATOM 928 O ILE A 75 -2.343 11.905 2.681 1.00 0.53 O ATOM 929 CB ILE A 75 0.637 11.234 3.919 1.00 0.60 C ATOM 930 CG1 ILE A 75 1.631 12.079 4.709 1.00 0.73 C ATOM 931 CG2 ILE A 75 0.721 11.568 2.433 1.00 0.68 C ATOM 932 CD1 ILE A 75 1.450 13.562 4.490 1.00 1.38 C ATOM 0 H ILE A 75 -0.207 10.123 5.991 1.00 0.58 H new ATOM 0 HA ILE A 75 -0.929 12.483 4.727 1.00 0.53 H new ATOM 0 HB ILE A 75 0.894 10.182 4.041 1.00 0.60 H new ATOM 0 HG12 ILE A 75 1.523 11.858 5.771 1.00 0.73 H new ATOM 0 HG13 ILE A 75 2.645 11.797 4.426 1.00 0.73 H new ATOM 0 HG21 ILE A 75 1.742 11.418 2.083 1.00 0.68 H new ATOM 0 HG22 ILE A 75 0.047 10.918 1.875 1.00 0.68 H new ATOM 0 HG23 ILE A 75 0.433 12.608 2.277 1.00 0.68 H new ATOM 0 HD11 ILE A 75 2.186 14.109 5.079 1.00 1.38 H new ATOM 0 HD12 ILE A 75 1.586 13.793 3.433 1.00 1.38 H new ATOM 0 HD13 ILE A 75 0.447 13.856 4.799 1.00 1.38 H new ATOM 944 N PHE A 76 -2.085 9.759 3.299 1.00 0.50 N ATOM 945 CA PHE A 76 -2.982 9.225 2.290 1.00 0.56 C ATOM 946 C PHE A 76 -4.417 9.704 2.515 1.00 0.60 C ATOM 947 O PHE A 76 -5.237 9.671 1.604 1.00 0.72 O ATOM 948 CB PHE A 76 -2.923 7.700 2.309 1.00 0.65 C ATOM 949 CG PHE A 76 -2.957 7.095 0.944 1.00 2.06 C ATOM 950 CD1 PHE A 76 -4.161 6.796 0.328 1.00 2.34 C ATOM 951 CD2 PHE A 76 -1.777 6.810 0.279 1.00 2.12 C ATOM 952 CE1 PHE A 76 -4.186 6.226 -0.927 1.00 2.35 C ATOM 953 CE2 PHE A 76 -1.794 6.242 -0.977 1.00 2.24 C ATOM 954 CZ PHE A 76 -3.002 5.934 -1.579 1.00 2.36 C ATOM 0 H PHE A 76 -1.693 9.054 3.923 1.00 0.50 H new ATOM 0 HA PHE A 76 -2.660 9.588 1.314 1.00 0.56 H new ATOM 0 HB2 PHE A 76 -2.012 7.384 2.817 1.00 0.65 H new ATOM 0 HB3 PHE A 76 -3.762 7.317 2.891 1.00 0.65 H new ATOM 0 HD1 PHE A 76 -5.089 7.012 0.836 1.00 2.34 H new ATOM 0 HD2 PHE A 76 -0.832 7.035 0.750 1.00 2.12 H new ATOM 0 HE1 PHE A 76 -5.131 6.007 -1.401 1.00 2.35 H new ATOM 0 HE2 PHE A 76 -0.866 6.038 -1.491 1.00 2.24 H new ATOM 0 HZ PHE A 76 -3.020 5.468 -2.553 1.00 2.36 H new ATOM 964 N GLU A 77 -4.722 10.142 3.729 1.00 0.63 N ATOM 965 CA GLU A 77 -6.039 10.693 4.020 1.00 0.73 C ATOM 966 C GLU A 77 -6.141 12.120 3.496 1.00 0.69 C ATOM 967 O GLU A 77 -7.191 12.545 3.009 1.00 0.80 O ATOM 968 CB GLU A 77 -6.316 10.679 5.525 1.00 0.90 C ATOM 969 CG GLU A 77 -6.237 9.297 6.148 1.00 1.56 C ATOM 970 CD GLU A 77 -6.629 9.285 7.608 1.00 1.94 C ATOM 971 OE1 GLU A 77 -5.804 9.684 8.456 1.00 2.52 O ATOM 972 OE2 GLU A 77 -7.765 8.871 7.916 1.00 2.41 O ATOM 0 H GLU A 77 -4.081 10.127 4.523 1.00 0.63 H new ATOM 0 HA GLU A 77 -6.782 10.071 3.522 1.00 0.73 H new ATOM 0 HB2 GLU A 77 -5.601 11.334 6.023 1.00 0.90 H new ATOM 0 HB3 GLU A 77 -7.308 11.093 5.707 1.00 0.90 H new ATOM 0 HG2 GLU A 77 -6.888 8.618 5.597 1.00 1.56 H new ATOM 0 HG3 GLU A 77 -5.221 8.916 6.047 1.00 1.56 H new ATOM 979 N ALA A 78 -5.035 12.847 3.588 1.00 0.61 N ATOM 980 CA ALA A 78 -5.000 14.253 3.207 1.00 0.62 C ATOM 981 C ALA A 78 -4.682 14.441 1.725 1.00 0.60 C ATOM 982 O ALA A 78 -5.470 15.017 0.979 1.00 0.65 O ATOM 983 CB ALA A 78 -3.976 14.991 4.054 1.00 0.64 C ATOM 0 H ALA A 78 -4.144 12.483 3.926 1.00 0.61 H new ATOM 0 HA ALA A 78 -5.993 14.666 3.383 1.00 0.62 H new ATOM 0 HB1 ALA A 78 -3.954 16.042 3.765 1.00 0.64 H new ATOM 0 HB2 ALA A 78 -4.248 14.910 5.106 1.00 0.64 H new ATOM 0 HB3 ALA A 78 -2.991 14.551 3.899 1.00 0.64 H new ATOM 989 N ALA A 79 -3.529 13.940 1.303 1.00 0.65 N ATOM 990 CA ALA A 79 -3.027 14.183 -0.046 1.00 0.75 C ATOM 991 C ALA A 79 -3.906 13.545 -1.112 1.00 0.86 C ATOM 992 O ALA A 79 -4.120 14.122 -2.179 1.00 0.99 O ATOM 993 CB ALA A 79 -1.606 13.666 -0.174 1.00 0.83 C ATOM 0 H ALA A 79 -2.919 13.359 1.878 1.00 0.65 H new ATOM 0 HA ALA A 79 -3.044 15.261 -0.208 1.00 0.75 H new ATOM 0 HB1 ALA A 79 -1.241 13.852 -1.184 1.00 0.83 H new ATOM 0 HB2 ALA A 79 -0.966 14.179 0.544 1.00 0.83 H new ATOM 0 HB3 ALA A 79 -1.589 12.595 0.026 1.00 0.83 H new ATOM 999 N ALA A 80 -4.423 12.360 -0.816 1.00 0.91 N ATOM 1000 CA ALA A 80 -5.214 11.610 -1.782 1.00 1.12 C ATOM 1001 C ALA A 80 -6.562 12.276 -2.040 1.00 1.27 C ATOM 1002 O ALA A 80 -7.189 12.046 -3.074 1.00 1.56 O ATOM 1003 CB ALA A 80 -5.407 10.182 -1.302 1.00 1.25 C ATOM 0 H ALA A 80 -4.309 11.897 0.086 1.00 0.91 H new ATOM 0 HA ALA A 80 -4.669 11.597 -2.726 1.00 1.12 H new ATOM 0 HB1 ALA A 80 -6.000 9.630 -2.031 1.00 1.25 H new ATOM 0 HB2 ALA A 80 -4.435 9.702 -1.187 1.00 1.25 H new ATOM 0 HB3 ALA A 80 -5.925 10.187 -0.343 1.00 1.25 H new ATOM 1009 N THR A 81 -7.001 13.109 -1.106 1.00 1.23 N ATOM 1010 CA THR A 81 -8.262 13.817 -1.256 1.00 1.46 C ATOM 1011 C THR A 81 -8.026 15.245 -1.740 1.00 1.63 C ATOM 1012 O THR A 81 -8.956 16.047 -1.834 1.00 1.89 O ATOM 1013 CB THR A 81 -9.055 13.834 0.065 1.00 1.60 C ATOM 1014 OG1 THR A 81 -8.216 14.266 1.145 1.00 2.33 O ATOM 1015 CG2 THR A 81 -9.609 12.455 0.375 1.00 1.65 C ATOM 0 H THR A 81 -6.503 13.310 -0.239 1.00 1.23 H new ATOM 0 HA THR A 81 -8.851 13.284 -2.002 1.00 1.46 H new ATOM 0 HB THR A 81 -9.885 14.532 -0.048 1.00 1.60 H new ATOM 0 HG1 THR A 81 -7.976 13.496 1.701 1.00 2.33 H new ATOM 0 HG21 THR A 81 -10.166 12.489 1.312 1.00 1.65 H new ATOM 0 HG22 THR A 81 -10.273 12.140 -0.430 1.00 1.65 H new ATOM 0 HG23 THR A 81 -8.787 11.745 0.467 1.00 1.65 H new ATOM 1023 N GLY A 82 -6.775 15.553 -2.055 1.00 1.69 N ATOM 1024 CA GLY A 82 -6.435 16.874 -2.536 1.00 2.14 C ATOM 1025 C GLY A 82 -6.535 16.972 -4.043 1.00 2.00 C ATOM 1026 O GLY A 82 -5.530 16.881 -4.747 1.00 2.59 O ATOM 0 H GLY A 82 -5.988 14.908 -1.985 1.00 1.69 H new ATOM 0 HA2 GLY A 82 -7.100 17.608 -2.080 1.00 2.14 H new ATOM 0 HA3 GLY A 82 -5.421 17.124 -2.223 1.00 2.14 H new ATOM 1030 N LYS A 83 -7.751 17.131 -4.539 1.00 1.89 N ATOM 1031 CA LYS A 83 -7.978 17.261 -5.968 1.00 2.11 C ATOM 1032 C LYS A 83 -8.014 18.731 -6.357 1.00 2.84 C ATOM 1033 O LYS A 83 -7.030 19.211 -6.951 1.00 3.20 O ATOM 1034 CB LYS A 83 -9.282 16.567 -6.372 1.00 2.31 C ATOM 1035 CG LYS A 83 -9.579 16.644 -7.864 1.00 2.78 C ATOM 1036 CD LYS A 83 -10.821 15.848 -8.237 1.00 3.44 C ATOM 1037 CE LYS A 83 -12.066 16.377 -7.543 1.00 3.93 C ATOM 1038 NZ LYS A 83 -13.281 15.614 -7.932 1.00 4.41 N ATOM 1039 OXT LYS A 83 -9.013 19.410 -6.039 1.00 3.62 O ATOM 0 H LYS A 83 -8.597 17.173 -3.971 1.00 1.89 H new ATOM 0 HA LYS A 83 -7.157 16.777 -6.498 1.00 2.11 H new ATOM 0 HB2 LYS A 83 -9.234 15.520 -6.074 1.00 2.31 H new ATOM 0 HB3 LYS A 83 -10.108 17.017 -5.822 1.00 2.31 H new ATOM 0 HG2 LYS A 83 -9.715 17.686 -8.154 1.00 2.78 H new ATOM 0 HG3 LYS A 83 -8.724 16.266 -8.424 1.00 2.78 H new ATOM 0 HD2 LYS A 83 -10.965 15.885 -9.317 1.00 3.44 H new ATOM 0 HD3 LYS A 83 -10.674 14.801 -7.971 1.00 3.44 H new ATOM 0 HE2 LYS A 83 -11.932 16.321 -6.463 1.00 3.93 H new ATOM 0 HE3 LYS A 83 -12.202 17.429 -7.793 1.00 3.93 H new ATOM 0 HZ1 LYS A 83 -14.109 16.004 -7.438 1.00 4.41 H new ATOM 0 HZ2 LYS A 83 -13.424 15.689 -8.959 1.00 4.41 H new ATOM 0 HZ3 LYS A 83 -13.162 14.614 -7.671 1.00 4.41 H new TER 1053 LYS A 83 ATOM 1054 N MET B 15 -14.833 9.696 3.054 1.00 2.24 N ATOM 1055 CA MET B 15 -14.565 8.574 2.130 1.00 1.67 C ATOM 1056 C MET B 15 -13.331 7.815 2.601 1.00 1.40 C ATOM 1057 O MET B 15 -12.296 8.420 2.883 1.00 1.55 O ATOM 1058 CB MET B 15 -14.354 9.103 0.707 1.00 1.81 C ATOM 1059 CG MET B 15 -14.776 8.135 -0.393 1.00 2.21 C ATOM 1060 SD MET B 15 -13.792 6.626 -0.445 1.00 3.03 S ATOM 1061 CE MET B 15 -14.570 5.772 -1.813 1.00 3.68 C ATOM 0 HA MET B 15 -15.420 7.898 2.123 1.00 1.67 H new ATOM 0 HB2 MET B 15 -14.913 10.032 0.591 1.00 1.81 H new ATOM 0 HB3 MET B 15 -13.300 9.346 0.575 1.00 1.81 H new ATOM 0 HG2 MET B 15 -15.824 7.871 -0.250 1.00 2.21 H new ATOM 0 HG3 MET B 15 -14.703 8.639 -1.357 1.00 2.21 H new ATOM 0 HE1 MET B 15 -13.927 4.958 -2.147 1.00 3.68 H new ATOM 0 HE2 MET B 15 -15.530 5.367 -1.491 1.00 3.68 H new ATOM 0 HE3 MET B 15 -14.728 6.470 -2.635 1.00 3.68 H new ATOM 1073 N ASP B 16 -13.450 6.497 2.696 1.00 1.24 N ATOM 1074 CA ASP B 16 -12.367 5.661 3.202 1.00 1.13 C ATOM 1075 C ASP B 16 -11.156 5.699 2.277 1.00 0.91 C ATOM 1076 O ASP B 16 -11.214 5.229 1.139 1.00 1.01 O ATOM 1077 CB ASP B 16 -12.827 4.208 3.372 1.00 1.39 C ATOM 1078 CG ASP B 16 -13.843 4.032 4.481 1.00 1.84 C ATOM 1079 OD1 ASP B 16 -13.442 3.975 5.663 1.00 2.42 O ATOM 1080 OD2 ASP B 16 -15.049 3.940 4.178 1.00 2.27 O ATOM 0 H ASP B 16 -14.289 5.982 2.428 1.00 1.24 H new ATOM 0 HA ASP B 16 -12.081 6.064 4.174 1.00 1.13 H new ATOM 0 HB2 ASP B 16 -13.258 3.857 2.434 1.00 1.39 H new ATOM 0 HB3 ASP B 16 -11.960 3.581 3.579 1.00 1.39 H new ATOM 1085 N ASN B 17 -10.055 6.253 2.773 1.00 0.78 N ATOM 1086 CA ASN B 17 -8.801 6.255 2.024 1.00 0.75 C ATOM 1087 C ASN B 17 -8.246 4.843 1.968 1.00 0.62 C ATOM 1088 O ASN B 17 -7.454 4.508 1.098 1.00 0.65 O ATOM 1089 CB ASN B 17 -7.764 7.193 2.660 1.00 0.93 C ATOM 1090 CG ASN B 17 -7.175 6.659 3.959 1.00 1.57 C ATOM 1091 OD1 ASN B 17 -7.854 6.021 4.762 1.00 2.52 O ATOM 1092 ND2 ASN B 17 -5.894 6.906 4.163 1.00 1.71 N ATOM 0 H ASN B 17 -10.004 6.705 3.686 1.00 0.78 H new ATOM 0 HA ASN B 17 -9.007 6.618 1.017 1.00 0.75 H new ATOM 0 HB2 ASN B 17 -6.957 7.365 1.948 1.00 0.93 H new ATOM 0 HB3 ASN B 17 -8.230 8.159 2.852 1.00 0.93 H new ATOM 0 HD21 ASN B 17 -5.437 6.564 5.008 1.00 1.71 H new ATOM 0 HD22 ASN B 17 -5.361 7.439 3.475 1.00 1.71 H new ATOM 1099 N LYS B 18 -8.700 4.029 2.910 1.00 0.59 N ATOM 1100 CA LYS B 18 -8.266 2.648 3.047 1.00 0.62 C ATOM 1101 C LYS B 18 -8.518 1.858 1.770 1.00 0.54 C ATOM 1102 O LYS B 18 -7.594 1.304 1.176 1.00 0.48 O ATOM 1103 CB LYS B 18 -9.021 2.013 4.213 1.00 0.82 C ATOM 1104 CG LYS B 18 -8.859 2.781 5.517 1.00 1.09 C ATOM 1105 CD LYS B 18 -7.570 2.417 6.233 1.00 1.04 C ATOM 1106 CE LYS B 18 -7.703 1.091 6.964 1.00 1.43 C ATOM 1107 NZ LYS B 18 -8.822 1.119 7.945 1.00 1.89 N ATOM 0 H LYS B 18 -9.388 4.313 3.608 1.00 0.59 H new ATOM 0 HA LYS B 18 -7.193 2.631 3.237 1.00 0.62 H new ATOM 0 HB2 LYS B 18 -10.080 1.953 3.963 1.00 0.82 H new ATOM 0 HB3 LYS B 18 -8.668 0.991 4.354 1.00 0.82 H new ATOM 0 HG2 LYS B 18 -8.870 3.851 5.312 1.00 1.09 H new ATOM 0 HG3 LYS B 18 -9.707 2.573 6.169 1.00 1.09 H new ATOM 0 HD2 LYS B 18 -6.755 2.358 5.512 1.00 1.04 H new ATOM 0 HD3 LYS B 18 -7.311 3.202 6.943 1.00 1.04 H new ATOM 0 HE2 LYS B 18 -7.870 0.292 6.242 1.00 1.43 H new ATOM 0 HE3 LYS B 18 -6.770 0.864 7.481 1.00 1.43 H new ATOM 0 HZ1 LYS B 18 -8.643 0.421 8.695 1.00 1.89 H new ATOM 0 HZ2 LYS B 18 -8.892 2.068 8.364 1.00 1.89 H new ATOM 0 HZ3 LYS B 18 -9.713 0.887 7.462 1.00 1.89 H new ATOM 1121 N LYS B 19 -9.773 1.818 1.346 1.00 0.61 N ATOM 1122 CA LYS B 19 -10.154 1.063 0.160 1.00 0.61 C ATOM 1123 C LYS B 19 -9.518 1.650 -1.098 1.00 0.53 C ATOM 1124 O LYS B 19 -9.044 0.914 -1.965 1.00 0.55 O ATOM 1125 CB LYS B 19 -11.678 1.019 0.020 1.00 0.77 C ATOM 1126 CG LYS B 19 -12.339 2.389 0.082 1.00 0.82 C ATOM 1127 CD LYS B 19 -13.843 2.302 -0.106 1.00 1.20 C ATOM 1128 CE LYS B 19 -14.196 1.869 -1.517 1.00 1.06 C ATOM 1129 NZ LYS B 19 -15.657 1.690 -1.708 1.00 1.49 N ATOM 0 H LYS B 19 -10.546 2.300 1.806 1.00 0.61 H new ATOM 0 HA LYS B 19 -9.784 0.044 0.278 1.00 0.61 H new ATOM 0 HB2 LYS B 19 -11.933 0.545 -0.928 1.00 0.77 H new ATOM 0 HB3 LYS B 19 -12.089 0.391 0.811 1.00 0.77 H new ATOM 0 HG2 LYS B 19 -12.120 2.854 1.043 1.00 0.82 H new ATOM 0 HG3 LYS B 19 -11.914 3.032 -0.688 1.00 0.82 H new ATOM 0 HD2 LYS B 19 -14.261 1.594 0.610 1.00 1.20 H new ATOM 0 HD3 LYS B 19 -14.295 3.272 0.103 1.00 1.20 H new ATOM 0 HE2 LYS B 19 -13.829 2.613 -2.224 1.00 1.06 H new ATOM 0 HE3 LYS B 19 -13.686 0.933 -1.745 1.00 1.06 H new ATOM 0 HZ1 LYS B 19 -15.828 1.116 -2.558 1.00 1.49 H new ATOM 0 HZ2 LYS B 19 -16.059 1.208 -0.879 1.00 1.49 H new ATOM 0 HZ3 LYS B 19 -16.109 2.620 -1.821 1.00 1.49 H new ATOM 1143 N ARG B 20 -9.478 2.976 -1.183 1.00 0.55 N ATOM 1144 CA ARG B 20 -8.931 3.636 -2.360 1.00 0.59 C ATOM 1145 C ARG B 20 -7.417 3.480 -2.418 1.00 0.55 C ATOM 1146 O ARG B 20 -6.814 3.553 -3.488 1.00 0.61 O ATOM 1147 CB ARG B 20 -9.333 5.112 -2.405 1.00 0.70 C ATOM 1148 CG ARG B 20 -10.829 5.315 -2.591 1.00 0.82 C ATOM 1149 CD ARG B 20 -11.164 6.725 -3.053 1.00 1.01 C ATOM 1150 NE ARG B 20 -10.898 7.737 -2.031 1.00 1.31 N ATOM 1151 CZ ARG B 20 -11.468 8.943 -2.023 1.00 1.46 C ATOM 1152 NH1 ARG B 20 -12.325 9.283 -2.981 1.00 1.33 N ATOM 1153 NH2 ARG B 20 -11.187 9.807 -1.055 1.00 2.34 N ATOM 0 H ARG B 20 -9.815 3.609 -0.457 1.00 0.55 H new ATOM 0 HA ARG B 20 -9.353 3.151 -3.240 1.00 0.59 H new ATOM 0 HB2 ARG B 20 -9.018 5.597 -1.481 1.00 0.70 H new ATOM 0 HB3 ARG B 20 -8.801 5.603 -3.220 1.00 0.70 H new ATOM 0 HG2 ARG B 20 -11.204 4.597 -3.320 1.00 0.82 H new ATOM 0 HG3 ARG B 20 -11.341 5.111 -1.651 1.00 0.82 H new ATOM 0 HD2 ARG B 20 -10.584 6.957 -3.946 1.00 1.01 H new ATOM 0 HD3 ARG B 20 -12.216 6.769 -3.336 1.00 1.01 H new ATOM 0 HE ARG B 20 -10.242 7.508 -1.285 1.00 1.31 H new ATOM 0 HH11 ARG B 20 -12.548 8.621 -3.724 1.00 1.33 H new ATOM 0 HH12 ARG B 20 -12.760 10.206 -2.973 1.00 1.33 H new ATOM 0 HH21 ARG B 20 -10.534 9.549 -0.315 1.00 2.34 H new ATOM 0 HH22 ARG B 20 -11.624 10.729 -1.051 1.00 2.34 H new ATOM 1167 N LEU B 21 -6.819 3.257 -1.261 1.00 0.54 N ATOM 1168 CA LEU B 21 -5.398 2.968 -1.159 1.00 0.58 C ATOM 1169 C LEU B 21 -5.078 1.633 -1.826 1.00 0.57 C ATOM 1170 O LEU B 21 -4.110 1.516 -2.581 1.00 0.64 O ATOM 1171 CB LEU B 21 -5.002 2.957 0.328 1.00 0.64 C ATOM 1172 CG LEU B 21 -3.656 2.323 0.688 1.00 0.60 C ATOM 1173 CD1 LEU B 21 -2.530 2.924 -0.134 1.00 0.70 C ATOM 1174 CD2 LEU B 21 -3.373 2.524 2.164 1.00 0.61 C ATOM 0 H LEU B 21 -7.305 3.271 -0.364 1.00 0.54 H new ATOM 0 HA LEU B 21 -4.823 3.737 -1.676 1.00 0.58 H new ATOM 0 HB2 LEU B 21 -4.996 3.987 0.684 1.00 0.64 H new ATOM 0 HB3 LEU B 21 -5.781 2.433 0.881 1.00 0.64 H new ATOM 0 HG LEU B 21 -3.711 1.257 0.466 1.00 0.60 H new ATOM 0 HD11 LEU B 21 -1.586 2.454 0.143 1.00 0.70 H new ATOM 0 HD12 LEU B 21 -2.722 2.754 -1.193 1.00 0.70 H new ATOM 0 HD13 LEU B 21 -2.472 3.996 0.057 1.00 0.70 H new ATOM 0 HD21 LEU B 21 -2.414 2.071 2.416 1.00 0.61 H new ATOM 0 HD22 LEU B 21 -3.340 3.591 2.386 1.00 0.61 H new ATOM 0 HD23 LEU B 21 -4.161 2.055 2.753 1.00 0.61 H new ATOM 1186 N ALA B 22 -5.922 0.646 -1.569 1.00 0.55 N ATOM 1187 CA ALA B 22 -5.698 -0.707 -2.055 1.00 0.63 C ATOM 1188 C ALA B 22 -5.674 -0.776 -3.579 1.00 0.51 C ATOM 1189 O ALA B 22 -4.658 -1.143 -4.167 1.00 0.44 O ATOM 1190 CB ALA B 22 -6.761 -1.639 -1.506 1.00 0.83 C ATOM 0 H ALA B 22 -6.775 0.758 -1.022 1.00 0.55 H new ATOM 0 HA ALA B 22 -4.717 -1.023 -1.701 1.00 0.63 H new ATOM 0 HB1 ALA B 22 -6.585 -2.649 -1.875 1.00 0.83 H new ATOM 0 HB2 ALA B 22 -6.718 -1.638 -0.417 1.00 0.83 H new ATOM 0 HB3 ALA B 22 -7.745 -1.300 -1.831 1.00 0.83 H new ATOM 1196 N TYR B 23 -6.785 -0.412 -4.217 1.00 0.62 N ATOM 1197 CA TYR B 23 -6.914 -0.571 -5.666 1.00 0.75 C ATOM 1198 C TYR B 23 -5.875 0.272 -6.397 1.00 0.66 C ATOM 1199 O TYR B 23 -5.360 -0.122 -7.443 1.00 0.66 O ATOM 1200 CB TYR B 23 -8.333 -0.209 -6.139 1.00 1.10 C ATOM 1201 CG TYR B 23 -8.581 1.271 -6.349 1.00 1.02 C ATOM 1202 CD1 TYR B 23 -8.176 1.908 -7.518 1.00 1.46 C ATOM 1203 CD2 TYR B 23 -9.210 2.031 -5.378 1.00 1.86 C ATOM 1204 CE1 TYR B 23 -8.387 3.256 -7.706 1.00 1.83 C ATOM 1205 CE2 TYR B 23 -9.422 3.383 -5.561 1.00 2.48 C ATOM 1206 CZ TYR B 23 -9.010 3.989 -6.722 1.00 2.22 C ATOM 1207 OH TYR B 23 -9.204 5.341 -6.887 1.00 2.99 O ATOM 0 H TYR B 23 -7.602 -0.008 -3.759 1.00 0.62 H new ATOM 0 HA TYR B 23 -6.736 -1.620 -5.904 1.00 0.75 H new ATOM 0 HB2 TYR B 23 -8.532 -0.732 -7.075 1.00 1.10 H new ATOM 0 HB3 TYR B 23 -9.050 -0.582 -5.407 1.00 1.10 H new ATOM 0 HD1 TYR B 23 -7.687 1.335 -8.292 1.00 1.46 H new ATOM 0 HD2 TYR B 23 -9.540 1.560 -4.464 1.00 1.86 H new ATOM 0 HE1 TYR B 23 -8.066 3.734 -8.619 1.00 1.83 H new ATOM 0 HE2 TYR B 23 -9.911 3.963 -4.792 1.00 2.48 H new ATOM 0 HH TYR B 23 -9.659 5.705 -6.099 1.00 2.99 H new ATOM 1217 N ALA B 24 -5.581 1.435 -5.832 1.00 0.72 N ATOM 1218 CA ALA B 24 -4.606 2.350 -6.413 1.00 0.87 C ATOM 1219 C ALA B 24 -3.241 1.692 -6.527 1.00 0.75 C ATOM 1220 O ALA B 24 -2.584 1.765 -7.568 1.00 0.84 O ATOM 1221 CB ALA B 24 -4.510 3.612 -5.580 1.00 1.14 C ATOM 0 H ALA B 24 -6.006 1.769 -4.967 1.00 0.72 H new ATOM 0 HA ALA B 24 -4.942 2.612 -7.416 1.00 0.87 H new ATOM 0 HB1 ALA B 24 -3.779 4.287 -6.025 1.00 1.14 H new ATOM 0 HB2 ALA B 24 -5.483 4.102 -5.548 1.00 1.14 H new ATOM 0 HB3 ALA B 24 -4.199 3.357 -4.567 1.00 1.14 H new ATOM 1227 N ILE B 25 -2.820 1.056 -5.446 1.00 0.63 N ATOM 1228 CA ILE B 25 -1.567 0.325 -5.427 1.00 0.71 C ATOM 1229 C ILE B 25 -1.656 -0.891 -6.342 1.00 0.61 C ATOM 1230 O ILE B 25 -0.705 -1.210 -7.054 1.00 0.66 O ATOM 1231 CB ILE B 25 -1.198 -0.102 -3.990 1.00 0.80 C ATOM 1232 CG1 ILE B 25 -0.857 1.135 -3.159 1.00 0.97 C ATOM 1233 CG2 ILE B 25 -0.039 -1.090 -3.986 1.00 0.91 C ATOM 1234 CD1 ILE B 25 -0.443 0.820 -1.742 1.00 0.89 C ATOM 0 H ILE B 25 -3.333 1.032 -4.565 1.00 0.63 H new ATOM 0 HA ILE B 25 -0.779 0.983 -5.793 1.00 0.71 H new ATOM 0 HB ILE B 25 -2.057 -0.606 -3.547 1.00 0.80 H new ATOM 0 HG12 ILE B 25 -0.052 1.681 -3.650 1.00 0.97 H new ATOM 0 HG13 ILE B 25 -1.723 1.796 -3.136 1.00 0.97 H new ATOM 0 HG21 ILE B 25 0.196 -1.371 -2.959 1.00 0.91 H new ATOM 0 HG22 ILE B 25 -0.317 -1.980 -4.551 1.00 0.91 H new ATOM 0 HG23 ILE B 25 0.835 -0.628 -4.445 1.00 0.91 H new ATOM 0 HD11 ILE B 25 -0.217 1.747 -1.215 1.00 0.89 H new ATOM 0 HD12 ILE B 25 -1.255 0.301 -1.232 1.00 0.89 H new ATOM 0 HD13 ILE B 25 0.442 0.184 -1.754 1.00 0.89 H new ATOM 1246 N ILE B 26 -2.814 -1.543 -6.336 1.00 0.53 N ATOM 1247 CA ILE B 26 -3.051 -2.695 -7.196 1.00 0.53 C ATOM 1248 C ILE B 26 -2.791 -2.355 -8.663 1.00 0.51 C ATOM 1249 O ILE B 26 -2.052 -3.062 -9.338 1.00 0.53 O ATOM 1250 CB ILE B 26 -4.492 -3.237 -7.048 1.00 0.58 C ATOM 1251 CG1 ILE B 26 -4.694 -3.850 -5.656 1.00 0.67 C ATOM 1252 CG2 ILE B 26 -4.789 -4.256 -8.139 1.00 0.62 C ATOM 1253 CD1 ILE B 26 -6.092 -4.384 -5.414 1.00 0.78 C ATOM 0 H ILE B 26 -3.605 -1.292 -5.743 1.00 0.53 H new ATOM 0 HA ILE B 26 -2.352 -3.468 -6.876 1.00 0.53 H new ATOM 0 HB ILE B 26 -5.190 -2.407 -7.157 1.00 0.58 H new ATOM 0 HG12 ILE B 26 -3.978 -4.661 -5.520 1.00 0.67 H new ATOM 0 HG13 ILE B 26 -4.469 -3.096 -4.902 1.00 0.67 H new ATOM 0 HG21 ILE B 26 -5.807 -4.628 -8.022 1.00 0.62 H new ATOM 0 HG22 ILE B 26 -4.686 -3.784 -9.116 1.00 0.62 H new ATOM 0 HG23 ILE B 26 -4.087 -5.087 -8.062 1.00 0.62 H new ATOM 0 HD11 ILE B 26 -6.153 -4.800 -4.409 1.00 0.78 H new ATOM 0 HD12 ILE B 26 -6.814 -3.574 -5.516 1.00 0.78 H new ATOM 0 HD13 ILE B 26 -6.315 -5.163 -6.143 1.00 0.78 H new ATOM 1265 N GLN B 27 -3.392 -1.269 -9.143 1.00 0.54 N ATOM 1266 CA GLN B 27 -3.229 -0.854 -10.535 1.00 0.62 C ATOM 1267 C GLN B 27 -1.765 -0.612 -10.881 1.00 0.55 C ATOM 1268 O GLN B 27 -1.245 -1.170 -11.850 1.00 0.57 O ATOM 1269 CB GLN B 27 -4.037 0.413 -10.820 1.00 0.79 C ATOM 1270 CG GLN B 27 -5.525 0.164 -10.973 1.00 0.89 C ATOM 1271 CD GLN B 27 -5.838 -0.784 -12.116 1.00 1.10 C ATOM 1272 OE1 GLN B 27 -5.101 -0.861 -13.101 1.00 1.58 O ATOM 1273 NE2 GLN B 27 -6.939 -1.501 -12.000 1.00 1.34 N ATOM 0 H GLN B 27 -3.996 -0.661 -8.590 1.00 0.54 H new ATOM 0 HA GLN B 27 -3.600 -1.667 -11.158 1.00 0.62 H new ATOM 0 HB2 GLN B 27 -3.878 1.125 -10.010 1.00 0.79 H new ATOM 0 HB3 GLN B 27 -3.659 0.877 -11.731 1.00 0.79 H new ATOM 0 HG2 GLN B 27 -5.919 -0.248 -10.044 1.00 0.89 H new ATOM 0 HG3 GLN B 27 -6.034 1.113 -11.142 1.00 0.89 H new ATOM 0 HE21 GLN B 27 -7.523 -1.408 -11.169 1.00 1.34 H new ATOM 0 HE22 GLN B 27 -7.207 -2.148 -12.742 1.00 1.34 H new ATOM 1282 N PHE B 28 -1.109 0.212 -10.077 1.00 0.52 N ATOM 1283 CA PHE B 28 0.283 0.565 -10.310 1.00 0.51 C ATOM 1284 C PHE B 28 1.171 -0.675 -10.268 1.00 0.43 C ATOM 1285 O PHE B 28 2.005 -0.886 -11.150 1.00 0.42 O ATOM 1286 CB PHE B 28 0.740 1.589 -9.268 1.00 0.60 C ATOM 1287 CG PHE B 28 2.190 1.973 -9.374 1.00 0.90 C ATOM 1288 CD1 PHE B 28 2.678 2.591 -10.512 1.00 1.60 C ATOM 1289 CD2 PHE B 28 3.060 1.721 -8.326 1.00 1.62 C ATOM 1290 CE1 PHE B 28 4.010 2.948 -10.604 1.00 1.98 C ATOM 1291 CE2 PHE B 28 4.390 2.075 -8.412 1.00 1.96 C ATOM 1292 CZ PHE B 28 4.866 2.689 -9.552 1.00 1.83 C ATOM 0 H PHE B 28 -1.521 0.650 -9.253 1.00 0.52 H new ATOM 0 HA PHE B 28 0.370 1.007 -11.303 1.00 0.51 H new ATOM 0 HB2 PHE B 28 0.130 2.487 -9.366 1.00 0.60 H new ATOM 0 HB3 PHE B 28 0.555 1.185 -8.273 1.00 0.60 H new ATOM 0 HD1 PHE B 28 2.011 2.796 -11.336 1.00 1.60 H new ATOM 0 HD2 PHE B 28 2.692 1.242 -7.431 1.00 1.62 H new ATOM 0 HE1 PHE B 28 4.381 3.429 -11.497 1.00 1.98 H new ATOM 0 HE2 PHE B 28 5.058 1.872 -7.588 1.00 1.96 H new ATOM 0 HZ PHE B 28 5.907 2.967 -9.622 1.00 1.83 H new ATOM 1302 N LEU B 29 0.972 -1.504 -9.254 1.00 0.45 N ATOM 1303 CA LEU B 29 1.762 -2.717 -9.099 1.00 0.45 C ATOM 1304 C LEU B 29 1.407 -3.756 -10.157 1.00 0.45 C ATOM 1305 O LEU B 29 2.230 -4.594 -10.493 1.00 0.48 O ATOM 1306 CB LEU B 29 1.596 -3.309 -7.696 1.00 0.53 C ATOM 1307 CG LEU B 29 2.587 -2.797 -6.640 1.00 0.59 C ATOM 1308 CD1 LEU B 29 2.506 -1.284 -6.495 1.00 0.57 C ATOM 1309 CD2 LEU B 29 2.333 -3.475 -5.303 1.00 0.70 C ATOM 0 H LEU B 29 0.271 -1.359 -8.527 1.00 0.45 H new ATOM 0 HA LEU B 29 2.807 -2.439 -9.236 1.00 0.45 H new ATOM 0 HB2 LEU B 29 0.584 -3.100 -7.350 1.00 0.53 H new ATOM 0 HB3 LEU B 29 1.692 -4.393 -7.764 1.00 0.53 H new ATOM 0 HG LEU B 29 3.594 -3.047 -6.974 1.00 0.59 H new ATOM 0 HD11 LEU B 29 3.219 -0.952 -5.740 1.00 0.57 H new ATOM 0 HD12 LEU B 29 2.742 -0.814 -7.450 1.00 0.57 H new ATOM 0 HD13 LEU B 29 1.498 -1.001 -6.191 1.00 0.57 H new ATOM 0 HD21 LEU B 29 3.043 -3.102 -4.565 1.00 0.70 H new ATOM 0 HD22 LEU B 29 1.318 -3.258 -4.972 1.00 0.70 H new ATOM 0 HD23 LEU B 29 2.456 -4.553 -5.412 1.00 0.70 H new ATOM 1321 N HIS B 30 0.190 -3.695 -10.681 1.00 0.47 N ATOM 1322 CA HIS B 30 -0.242 -4.622 -11.726 1.00 0.53 C ATOM 1323 C HIS B 30 0.555 -4.392 -13.006 1.00 0.48 C ATOM 1324 O HIS B 30 1.152 -5.319 -13.557 1.00 0.49 O ATOM 1325 CB HIS B 30 -1.740 -4.456 -12.006 1.00 0.67 C ATOM 1326 CG HIS B 30 -2.289 -5.438 -12.996 1.00 0.94 C ATOM 1327 ND1 HIS B 30 -2.563 -5.115 -14.308 1.00 1.11 N ATOM 1328 CD2 HIS B 30 -2.628 -6.740 -12.854 1.00 1.18 C ATOM 1329 CE1 HIS B 30 -3.046 -6.174 -14.927 1.00 1.38 C ATOM 1330 NE2 HIS B 30 -3.095 -7.173 -14.068 1.00 1.41 N ATOM 0 H HIS B 30 -0.517 -3.015 -10.402 1.00 0.47 H new ATOM 0 HA HIS B 30 -0.061 -5.638 -11.376 1.00 0.53 H new ATOM 0 HB2 HIS B 30 -2.287 -4.556 -11.069 1.00 0.67 H new ATOM 0 HB3 HIS B 30 -1.920 -3.446 -12.374 1.00 0.67 H new ATOM 0 HD2 HIS B 30 -2.546 -7.329 -11.952 1.00 1.18 H new ATOM 0 HE1 HIS B 30 -3.350 -6.216 -15.962 1.00 1.38 H new ATOM 0 HE2 HIS B 30 -3.427 -8.115 -14.273 1.00 1.41 H new ATOM 1339 N ASP B 31 0.567 -3.147 -13.468 1.00 0.48 N ATOM 1340 CA ASP B 31 1.314 -2.788 -14.667 1.00 0.52 C ATOM 1341 C ASP B 31 2.805 -2.995 -14.444 1.00 0.45 C ATOM 1342 O ASP B 31 3.492 -3.612 -15.258 1.00 0.50 O ATOM 1343 CB ASP B 31 1.039 -1.335 -15.056 1.00 0.63 C ATOM 1344 CG ASP B 31 1.874 -0.885 -16.239 1.00 1.24 C ATOM 1345 OD1 ASP B 31 1.502 -1.200 -17.392 1.00 1.98 O ATOM 1346 OD2 ASP B 31 2.905 -0.219 -16.023 1.00 1.79 O ATOM 0 H ASP B 31 0.069 -2.371 -13.032 1.00 0.48 H new ATOM 0 HA ASP B 31 0.987 -3.435 -15.481 1.00 0.52 H new ATOM 0 HB2 ASP B 31 -0.018 -1.220 -15.296 1.00 0.63 H new ATOM 0 HB3 ASP B 31 1.244 -0.688 -14.203 1.00 0.63 H new ATOM 1351 N GLN B 32 3.289 -2.493 -13.315 1.00 0.42 N ATOM 1352 CA GLN B 32 4.687 -2.637 -12.936 1.00 0.44 C ATOM 1353 C GLN B 32 5.096 -4.111 -12.882 1.00 0.38 C ATOM 1354 O GLN B 32 6.230 -4.460 -13.216 1.00 0.43 O ATOM 1355 CB GLN B 32 4.922 -1.937 -11.585 1.00 0.52 C ATOM 1356 CG GLN B 32 6.216 -2.318 -10.872 1.00 0.57 C ATOM 1357 CD GLN B 32 6.114 -3.623 -10.098 1.00 1.17 C ATOM 1358 OE1 GLN B 32 7.092 -4.355 -9.967 1.00 1.93 O ATOM 1359 NE2 GLN B 32 4.930 -3.923 -9.582 1.00 1.31 N ATOM 0 H GLN B 32 2.725 -1.977 -12.639 1.00 0.42 H new ATOM 0 HA GLN B 32 5.313 -2.163 -13.692 1.00 0.44 H new ATOM 0 HB2 GLN B 32 4.919 -0.859 -11.747 1.00 0.52 H new ATOM 0 HB3 GLN B 32 4.083 -2.162 -10.926 1.00 0.52 H new ATOM 0 HG2 GLN B 32 7.017 -2.401 -11.607 1.00 0.57 H new ATOM 0 HG3 GLN B 32 6.494 -1.518 -10.186 1.00 0.57 H new ATOM 0 HE21 GLN B 32 4.141 -3.289 -9.712 1.00 1.31 H new ATOM 0 HE22 GLN B 32 4.808 -4.788 -9.055 1.00 1.31 H new ATOM 1368 N LEU B 33 4.165 -4.967 -12.477 1.00 0.37 N ATOM 1369 CA LEU B 33 4.437 -6.391 -12.330 1.00 0.42 C ATOM 1370 C LEU B 33 4.793 -7.006 -13.677 1.00 0.46 C ATOM 1371 O LEU B 33 5.704 -7.826 -13.772 1.00 0.53 O ATOM 1372 CB LEU B 33 3.219 -7.103 -11.723 1.00 0.53 C ATOM 1373 CG LEU B 33 3.523 -8.154 -10.648 1.00 0.80 C ATOM 1374 CD1 LEU B 33 4.226 -9.358 -11.252 1.00 1.22 C ATOM 1375 CD2 LEU B 33 4.364 -7.540 -9.534 1.00 0.83 C ATOM 0 H LEU B 33 3.210 -4.697 -12.243 1.00 0.37 H new ATOM 0 HA LEU B 33 5.286 -6.516 -11.658 1.00 0.42 H new ATOM 0 HB2 LEU B 33 2.560 -6.350 -11.291 1.00 0.53 H new ATOM 0 HB3 LEU B 33 2.666 -7.585 -12.529 1.00 0.53 H new ATOM 0 HG LEU B 33 2.579 -8.496 -10.223 1.00 0.80 H new ATOM 0 HD11 LEU B 33 4.431 -10.089 -10.470 1.00 1.22 H new ATOM 0 HD12 LEU B 33 3.588 -9.808 -12.012 1.00 1.22 H new ATOM 0 HD13 LEU B 33 5.164 -9.041 -11.707 1.00 1.22 H new ATOM 0 HD21 LEU B 33 4.573 -8.296 -8.777 1.00 0.83 H new ATOM 0 HD22 LEU B 33 5.303 -7.171 -9.948 1.00 0.83 H new ATOM 0 HD23 LEU B 33 3.818 -6.713 -9.080 1.00 0.83 H new ATOM 1387 N ARG B 34 4.086 -6.589 -14.717 1.00 0.47 N ATOM 1388 CA ARG B 34 4.342 -7.094 -16.058 1.00 0.59 C ATOM 1389 C ARG B 34 5.573 -6.427 -16.664 1.00 0.58 C ATOM 1390 O ARG B 34 6.249 -7.005 -17.513 1.00 0.69 O ATOM 1391 CB ARG B 34 3.126 -6.875 -16.960 1.00 0.70 C ATOM 1392 CG ARG B 34 1.868 -7.582 -16.477 1.00 1.41 C ATOM 1393 CD ARG B 34 2.117 -9.060 -16.208 1.00 1.46 C ATOM 1394 NE ARG B 34 2.678 -9.750 -17.368 1.00 2.18 N ATOM 1395 CZ ARG B 34 2.889 -11.065 -17.422 1.00 2.53 C ATOM 1396 NH1 ARG B 34 2.555 -11.838 -16.397 1.00 2.19 N ATOM 1397 NH2 ARG B 34 3.431 -11.607 -18.504 1.00 3.50 N ATOM 0 H ARG B 34 3.332 -5.904 -14.659 1.00 0.47 H new ATOM 0 HA ARG B 34 4.531 -8.165 -15.982 1.00 0.59 H new ATOM 0 HB2 ARG B 34 2.926 -5.806 -17.031 1.00 0.70 H new ATOM 0 HB3 ARG B 34 3.364 -7.223 -17.965 1.00 0.70 H new ATOM 0 HG2 ARG B 34 1.509 -7.102 -15.567 1.00 1.41 H new ATOM 0 HG3 ARG B 34 1.082 -7.476 -17.225 1.00 1.41 H new ATOM 0 HD2 ARG B 34 2.798 -9.163 -15.363 1.00 1.46 H new ATOM 0 HD3 ARG B 34 1.180 -9.538 -15.923 1.00 1.46 H new ATOM 0 HE ARG B 34 2.923 -9.191 -18.186 1.00 2.18 H new ATOM 0 HH11 ARG B 34 2.135 -11.427 -15.564 1.00 2.19 H new ATOM 0 HH12 ARG B 34 2.718 -12.844 -16.442 1.00 2.19 H new ATOM 0 HH21 ARG B 34 3.687 -11.018 -19.296 1.00 3.50 H new ATOM 0 HH22 ARG B 34 3.592 -12.613 -18.544 1.00 3.50 H new ATOM 1411 N HIS B 35 5.862 -5.210 -16.218 1.00 0.53 N ATOM 1412 CA HIS B 35 7.029 -4.477 -16.703 1.00 0.59 C ATOM 1413 C HIS B 35 8.310 -5.022 -16.086 1.00 0.58 C ATOM 1414 O HIS B 35 9.370 -5.007 -16.708 1.00 0.74 O ATOM 1415 CB HIS B 35 6.914 -2.980 -16.390 1.00 0.59 C ATOM 1416 CG HIS B 35 5.954 -2.231 -17.265 1.00 1.17 C ATOM 1417 ND1 HIS B 35 6.186 -0.945 -17.690 1.00 1.99 N ATOM 1418 CD2 HIS B 35 4.745 -2.575 -17.766 1.00 1.62 C ATOM 1419 CE1 HIS B 35 5.164 -0.529 -18.410 1.00 2.69 C ATOM 1420 NE2 HIS B 35 4.271 -1.498 -18.474 1.00 2.43 N ATOM 0 H HIS B 35 5.307 -4.710 -15.523 1.00 0.53 H new ATOM 0 HA HIS B 35 7.066 -4.611 -17.784 1.00 0.59 H new ATOM 0 HB2 HIS B 35 6.606 -2.862 -15.351 1.00 0.59 H new ATOM 0 HB3 HIS B 35 7.900 -2.526 -16.483 1.00 0.59 H new ATOM 0 HD2 HIS B 35 4.245 -3.523 -17.633 1.00 1.62 H new ATOM 0 HE1 HIS B 35 5.073 0.443 -18.871 1.00 2.69 H new ATOM 0 HE2 HIS B 35 3.379 -1.455 -18.966 1.00 2.43 H new ATOM 1429 N GLY B 36 8.199 -5.506 -14.857 1.00 0.49 N ATOM 1430 CA GLY B 36 9.352 -6.025 -14.155 1.00 0.51 C ATOM 1431 C GLY B 36 10.020 -4.962 -13.310 1.00 0.47 C ATOM 1432 O GLY B 36 11.245 -4.855 -13.294 1.00 0.53 O ATOM 0 H GLY B 36 7.325 -5.548 -14.332 1.00 0.49 H new ATOM 0 HA2 GLY B 36 9.047 -6.856 -13.519 1.00 0.51 H new ATOM 0 HA3 GLY B 36 10.068 -6.421 -14.875 1.00 0.51 H new ATOM 1436 N GLY B 37 9.211 -4.158 -12.628 1.00 0.41 N ATOM 1437 CA GLY B 37 9.743 -3.091 -11.798 1.00 0.40 C ATOM 1438 C GLY B 37 10.572 -3.616 -10.646 1.00 0.39 C ATOM 1439 O GLY B 37 11.722 -3.210 -10.464 1.00 0.53 O ATOM 0 H GLY B 37 8.193 -4.226 -12.635 1.00 0.41 H new ATOM 0 HA2 GLY B 37 10.355 -2.429 -12.410 1.00 0.40 H new ATOM 0 HA3 GLY B 37 8.920 -2.493 -11.407 1.00 0.40 H new ATOM 1443 N LEU B 38 9.987 -4.503 -9.858 1.00 0.36 N ATOM 1444 CA LEU B 38 10.709 -5.144 -8.768 1.00 0.41 C ATOM 1445 C LEU B 38 11.390 -6.417 -9.265 1.00 0.49 C ATOM 1446 O LEU B 38 11.302 -6.750 -10.449 1.00 0.83 O ATOM 1447 CB LEU B 38 9.773 -5.462 -7.589 1.00 0.44 C ATOM 1448 CG LEU B 38 9.401 -4.284 -6.672 1.00 0.44 C ATOM 1449 CD1 LEU B 38 10.648 -3.621 -6.111 1.00 0.51 C ATOM 1450 CD2 LEU B 38 8.542 -3.261 -7.398 1.00 0.47 C ATOM 0 H LEU B 38 9.015 -4.796 -9.952 1.00 0.36 H new ATOM 0 HA LEU B 38 11.470 -4.450 -8.412 1.00 0.41 H new ATOM 0 HB2 LEU B 38 8.852 -5.887 -7.989 1.00 0.44 H new ATOM 0 HB3 LEU B 38 10.242 -6.234 -6.979 1.00 0.44 H new ATOM 0 HG LEU B 38 8.817 -4.687 -5.845 1.00 0.44 H new ATOM 0 HD11 LEU B 38 10.360 -2.791 -5.466 1.00 0.51 H new ATOM 0 HD12 LEU B 38 11.218 -4.349 -5.534 1.00 0.51 H new ATOM 0 HD13 LEU B 38 11.261 -3.247 -6.931 1.00 0.51 H new ATOM 0 HD21 LEU B 38 8.298 -2.443 -6.720 1.00 0.47 H new ATOM 0 HD22 LEU B 38 9.089 -2.870 -8.256 1.00 0.47 H new ATOM 0 HD23 LEU B 38 7.622 -3.735 -7.740 1.00 0.47 H new ATOM 1462 N SER B 39 12.066 -7.124 -8.368 1.00 0.47 N ATOM 1463 CA SER B 39 12.774 -8.342 -8.737 1.00 0.54 C ATOM 1464 C SER B 39 11.786 -9.484 -8.995 1.00 0.48 C ATOM 1465 O SER B 39 10.594 -9.347 -8.720 1.00 0.45 O ATOM 1466 CB SER B 39 13.770 -8.724 -7.639 1.00 0.67 C ATOM 1467 OG SER B 39 14.613 -9.787 -8.050 1.00 1.42 O ATOM 0 H SER B 39 12.139 -6.875 -7.382 1.00 0.47 H new ATOM 0 HA SER B 39 13.326 -8.160 -9.659 1.00 0.54 H new ATOM 0 HB2 SER B 39 14.377 -7.857 -7.379 1.00 0.67 H new ATOM 0 HB3 SER B 39 13.228 -9.015 -6.739 1.00 0.67 H new ATOM 0 HG SER B 39 15.238 -10.006 -7.328 1.00 1.42 H new ATOM 1473 N SER B 40 12.280 -10.605 -9.508 1.00 0.59 N ATOM 1474 CA SER B 40 11.424 -11.716 -9.912 1.00 0.61 C ATOM 1475 C SER B 40 10.583 -12.242 -8.745 1.00 0.53 C ATOM 1476 O SER B 40 9.355 -12.339 -8.848 1.00 0.49 O ATOM 1477 CB SER B 40 12.281 -12.838 -10.496 1.00 0.77 C ATOM 1478 OG SER B 40 13.116 -12.347 -11.536 1.00 1.63 O ATOM 0 H SER B 40 13.276 -10.770 -9.655 1.00 0.59 H new ATOM 0 HA SER B 40 10.732 -11.350 -10.671 1.00 0.61 H new ATOM 0 HB2 SER B 40 12.893 -13.280 -9.710 1.00 0.77 H new ATOM 0 HB3 SER B 40 11.638 -13.629 -10.883 1.00 0.77 H new ATOM 0 HG SER B 40 13.657 -13.081 -11.895 1.00 1.63 H new ATOM 1484 N ASP B 41 11.241 -12.563 -7.635 1.00 0.57 N ATOM 1485 CA ASP B 41 10.551 -13.088 -6.458 1.00 0.58 C ATOM 1486 C ASP B 41 9.669 -12.015 -5.834 1.00 0.53 C ATOM 1487 O ASP B 41 8.614 -12.302 -5.272 1.00 0.55 O ATOM 1488 CB ASP B 41 11.559 -13.604 -5.426 1.00 0.71 C ATOM 1489 CG ASP B 41 10.887 -14.222 -4.214 1.00 1.26 C ATOM 1490 OD1 ASP B 41 10.473 -15.398 -4.293 1.00 1.69 O ATOM 1491 OD2 ASP B 41 10.768 -13.538 -3.176 1.00 2.21 O ATOM 0 H ASP B 41 12.251 -12.469 -7.524 1.00 0.57 H new ATOM 0 HA ASP B 41 9.921 -13.919 -6.776 1.00 0.58 H new ATOM 0 HB2 ASP B 41 12.207 -14.345 -5.895 1.00 0.71 H new ATOM 0 HB3 ASP B 41 12.197 -12.781 -5.103 1.00 0.71 H new ATOM 1496 N ALA B 42 10.106 -10.771 -5.952 1.00 0.51 N ATOM 1497 CA ALA B 42 9.346 -9.642 -5.443 1.00 0.50 C ATOM 1498 C ALA B 42 8.059 -9.457 -6.237 1.00 0.47 C ATOM 1499 O ALA B 42 7.008 -9.173 -5.668 1.00 0.52 O ATOM 1500 CB ALA B 42 10.189 -8.383 -5.498 1.00 0.54 C ATOM 0 H ALA B 42 10.988 -10.518 -6.398 1.00 0.51 H new ATOM 0 HA ALA B 42 9.078 -9.842 -4.405 1.00 0.50 H new ATOM 0 HB1 ALA B 42 9.612 -7.542 -5.115 1.00 0.54 H new ATOM 0 HB2 ALA B 42 11.083 -8.517 -4.889 1.00 0.54 H new ATOM 0 HB3 ALA B 42 10.479 -8.184 -6.530 1.00 0.54 H new ATOM 1506 N GLN B 43 8.161 -9.623 -7.551 1.00 0.44 N ATOM 1507 CA GLN B 43 7.016 -9.527 -8.450 1.00 0.45 C ATOM 1508 C GLN B 43 5.870 -10.423 -7.996 1.00 0.45 C ATOM 1509 O GLN B 43 4.799 -9.942 -7.628 1.00 0.48 O ATOM 1510 CB GLN B 43 7.431 -9.920 -9.864 1.00 0.49 C ATOM 1511 CG GLN B 43 8.118 -8.815 -10.639 1.00 0.82 C ATOM 1512 CD GLN B 43 8.734 -9.329 -11.919 1.00 0.85 C ATOM 1513 OE1 GLN B 43 9.909 -9.687 -11.959 1.00 1.57 O ATOM 1514 NE2 GLN B 43 7.932 -9.408 -12.961 1.00 1.12 N ATOM 0 H GLN B 43 9.041 -9.828 -8.024 1.00 0.44 H new ATOM 0 HA GLN B 43 6.670 -8.493 -8.435 1.00 0.45 H new ATOM 0 HB2 GLN B 43 8.099 -10.779 -9.809 1.00 0.49 H new ATOM 0 HB3 GLN B 43 6.546 -10.239 -10.415 1.00 0.49 H new ATOM 0 HG2 GLN B 43 7.397 -8.031 -10.871 1.00 0.82 H new ATOM 0 HG3 GLN B 43 8.892 -8.363 -10.019 1.00 0.82 H new ATOM 0 HE21 GLN B 43 6.963 -9.099 -12.883 1.00 1.12 H new ATOM 0 HE22 GLN B 43 8.280 -9.778 -13.846 1.00 1.12 H new ATOM 1523 N GLU B 44 6.106 -11.723 -8.037 1.00 0.49 N ATOM 1524 CA GLU B 44 5.108 -12.707 -7.619 1.00 0.54 C ATOM 1525 C GLU B 44 4.594 -12.429 -6.202 1.00 0.51 C ATOM 1526 O GLU B 44 3.431 -12.692 -5.895 1.00 0.50 O ATOM 1527 CB GLU B 44 5.686 -14.120 -7.714 1.00 0.68 C ATOM 1528 CG GLU B 44 6.974 -14.310 -6.936 1.00 1.20 C ATOM 1529 CD GLU B 44 7.550 -15.695 -7.096 1.00 1.65 C ATOM 1530 OE1 GLU B 44 7.134 -16.605 -6.354 1.00 2.36 O ATOM 1531 OE2 GLU B 44 8.420 -15.883 -7.968 1.00 2.20 O ATOM 0 H GLU B 44 6.985 -12.129 -8.357 1.00 0.49 H new ATOM 0 HA GLU B 44 4.257 -12.625 -8.296 1.00 0.54 H new ATOM 0 HB2 GLU B 44 4.944 -14.831 -7.349 1.00 0.68 H new ATOM 0 HB3 GLU B 44 5.867 -14.358 -8.762 1.00 0.68 H new ATOM 0 HG2 GLU B 44 7.707 -13.575 -7.269 1.00 1.20 H new ATOM 0 HG3 GLU B 44 6.787 -14.118 -5.879 1.00 1.20 H new ATOM 1538 N SER B 45 5.455 -11.879 -5.349 1.00 0.54 N ATOM 1539 CA SER B 45 5.058 -11.524 -3.992 1.00 0.59 C ATOM 1540 C SER B 45 4.045 -10.378 -4.003 1.00 0.55 C ATOM 1541 O SER B 45 3.111 -10.360 -3.199 1.00 0.58 O ATOM 1542 CB SER B 45 6.282 -11.145 -3.156 1.00 0.71 C ATOM 1543 OG SER B 45 7.179 -12.239 -3.034 1.00 1.04 O ATOM 0 H SER B 45 6.428 -11.671 -5.574 1.00 0.54 H new ATOM 0 HA SER B 45 4.584 -12.395 -3.539 1.00 0.59 H new ATOM 0 HB2 SER B 45 6.794 -10.301 -3.618 1.00 0.71 H new ATOM 0 HB3 SER B 45 5.963 -10.821 -2.165 1.00 0.71 H new ATOM 0 HG SER B 45 7.824 -12.217 -3.771 1.00 1.04 H new ATOM 1549 N LEU B 46 4.221 -9.430 -4.923 1.00 0.56 N ATOM 1550 CA LEU B 46 3.281 -8.321 -5.059 1.00 0.60 C ATOM 1551 C LEU B 46 1.915 -8.849 -5.453 1.00 0.50 C ATOM 1552 O LEU B 46 0.902 -8.388 -4.945 1.00 0.48 O ATOM 1553 CB LEU B 46 3.742 -7.303 -6.109 1.00 0.74 C ATOM 1554 CG LEU B 46 5.112 -6.676 -5.868 1.00 0.75 C ATOM 1555 CD1 LEU B 46 5.407 -5.609 -6.905 1.00 1.28 C ATOM 1556 CD2 LEU B 46 5.195 -6.084 -4.471 1.00 1.14 C ATOM 0 H LEU B 46 5.001 -9.408 -5.580 1.00 0.56 H new ATOM 0 HA LEU B 46 3.231 -7.818 -4.093 1.00 0.60 H new ATOM 0 HB2 LEU B 46 3.754 -7.793 -7.083 1.00 0.74 H new ATOM 0 HB3 LEU B 46 3.002 -6.504 -6.163 1.00 0.74 H new ATOM 0 HG LEU B 46 5.861 -7.463 -5.958 1.00 0.75 H new ATOM 0 HD11 LEU B 46 6.389 -5.176 -6.713 1.00 1.28 H new ATOM 0 HD12 LEU B 46 5.395 -6.055 -7.899 1.00 1.28 H new ATOM 0 HD13 LEU B 46 4.649 -4.828 -6.849 1.00 1.28 H new ATOM 0 HD21 LEU B 46 6.180 -5.642 -4.321 1.00 1.14 H new ATOM 0 HD22 LEU B 46 4.431 -5.315 -4.356 1.00 1.14 H new ATOM 0 HD23 LEU B 46 5.033 -6.869 -3.733 1.00 1.14 H new ATOM 1568 N GLU B 47 1.904 -9.823 -6.356 1.00 0.49 N ATOM 1569 CA GLU B 47 0.663 -10.435 -6.810 1.00 0.48 C ATOM 1570 C GLU B 47 -0.112 -11.012 -5.634 1.00 0.43 C ATOM 1571 O GLU B 47 -1.280 -10.686 -5.435 1.00 0.45 O ATOM 1572 CB GLU B 47 0.948 -11.537 -7.826 1.00 0.55 C ATOM 1573 CG GLU B 47 1.635 -11.050 -9.086 1.00 0.81 C ATOM 1574 CD GLU B 47 1.874 -12.175 -10.065 1.00 1.06 C ATOM 1575 OE1 GLU B 47 2.896 -12.877 -9.935 1.00 1.52 O ATOM 1576 OE2 GLU B 47 1.031 -12.374 -10.961 1.00 1.75 O ATOM 0 H GLU B 47 2.744 -10.206 -6.789 1.00 0.49 H new ATOM 0 HA GLU B 47 0.061 -9.661 -7.286 1.00 0.48 H new ATOM 0 HB2 GLU B 47 1.570 -12.298 -7.356 1.00 0.55 H new ATOM 0 HB3 GLU B 47 0.008 -12.017 -8.099 1.00 0.55 H new ATOM 0 HG2 GLU B 47 1.025 -10.280 -9.559 1.00 0.81 H new ATOM 0 HG3 GLU B 47 2.587 -10.587 -8.825 1.00 0.81 H new ATOM 1583 N VAL B 48 0.555 -11.852 -4.845 1.00 0.41 N ATOM 1584 CA VAL B 48 -0.074 -12.467 -3.682 1.00 0.42 C ATOM 1585 C VAL B 48 -0.610 -11.391 -2.742 1.00 0.41 C ATOM 1586 O VAL B 48 -1.717 -11.508 -2.214 1.00 0.43 O ATOM 1587 CB VAL B 48 0.908 -13.375 -2.910 1.00 0.45 C ATOM 1588 CG1 VAL B 48 0.194 -14.109 -1.786 1.00 0.49 C ATOM 1589 CG2 VAL B 48 1.577 -14.365 -3.846 1.00 0.48 C ATOM 0 H VAL B 48 1.528 -12.121 -4.991 1.00 0.41 H new ATOM 0 HA VAL B 48 -0.895 -13.085 -4.047 1.00 0.42 H new ATOM 0 HB VAL B 48 1.679 -12.741 -2.472 1.00 0.45 H new ATOM 0 HG11 VAL B 48 0.905 -14.743 -1.256 1.00 0.49 H new ATOM 0 HG12 VAL B 48 -0.234 -13.385 -1.093 1.00 0.49 H new ATOM 0 HG13 VAL B 48 -0.602 -14.726 -2.203 1.00 0.49 H new ATOM 0 HG21 VAL B 48 2.264 -14.994 -3.280 1.00 0.48 H new ATOM 0 HG22 VAL B 48 0.818 -14.990 -4.318 1.00 0.48 H new ATOM 0 HG23 VAL B 48 2.130 -13.823 -4.614 1.00 0.48 H new ATOM 1599 N ALA B 49 0.175 -10.335 -2.559 1.00 0.41 N ATOM 1600 CA ALA B 49 -0.240 -9.205 -1.740 1.00 0.43 C ATOM 1601 C ALA B 49 -1.468 -8.527 -2.335 1.00 0.43 C ATOM 1602 O ALA B 49 -2.406 -8.195 -1.620 1.00 0.48 O ATOM 1603 CB ALA B 49 0.898 -8.207 -1.602 1.00 0.44 C ATOM 0 H ALA B 49 1.104 -10.239 -2.968 1.00 0.41 H new ATOM 0 HA ALA B 49 -0.502 -9.579 -0.750 1.00 0.43 H new ATOM 0 HB1 ALA B 49 0.573 -7.368 -0.987 1.00 0.44 H new ATOM 0 HB2 ALA B 49 1.753 -8.693 -1.131 1.00 0.44 H new ATOM 0 HB3 ALA B 49 1.185 -7.844 -2.589 1.00 0.44 H new ATOM 1609 N ILE B 50 -1.452 -8.344 -3.650 1.00 0.40 N ATOM 1610 CA ILE B 50 -2.560 -7.730 -4.374 1.00 0.41 C ATOM 1611 C ILE B 50 -3.864 -8.491 -4.139 1.00 0.38 C ATOM 1612 O ILE B 50 -4.876 -7.893 -3.774 1.00 0.41 O ATOM 1613 CB ILE B 50 -2.254 -7.660 -5.890 1.00 0.43 C ATOM 1614 CG1 ILE B 50 -1.216 -6.567 -6.174 1.00 0.53 C ATOM 1615 CG2 ILE B 50 -3.523 -7.419 -6.701 1.00 0.47 C ATOM 1616 CD1 ILE B 50 -0.766 -6.510 -7.620 1.00 0.62 C ATOM 0 H ILE B 50 -0.670 -8.617 -4.245 1.00 0.40 H new ATOM 0 HA ILE B 50 -2.680 -6.716 -3.992 1.00 0.41 H new ATOM 0 HB ILE B 50 -1.843 -8.622 -6.196 1.00 0.43 H new ATOM 0 HG12 ILE B 50 -1.635 -5.600 -5.896 1.00 0.53 H new ATOM 0 HG13 ILE B 50 -0.346 -6.732 -5.539 1.00 0.53 H new ATOM 0 HG21 ILE B 50 -3.274 -7.375 -7.761 1.00 0.47 H new ATOM 0 HG22 ILE B 50 -4.226 -8.233 -6.527 1.00 0.47 H new ATOM 0 HG23 ILE B 50 -3.977 -6.476 -6.395 1.00 0.47 H new ATOM 0 HD11 ILE B 50 -0.033 -5.713 -7.742 1.00 0.62 H new ATOM 0 HD12 ILE B 50 -0.316 -7.463 -7.899 1.00 0.62 H new ATOM 0 HD13 ILE B 50 -1.625 -6.313 -8.261 1.00 0.62 H new ATOM 1628 N GLN B 51 -3.831 -9.810 -4.332 1.00 0.39 N ATOM 1629 CA GLN B 51 -5.008 -10.644 -4.102 1.00 0.43 C ATOM 1630 C GLN B 51 -5.498 -10.501 -2.665 1.00 0.43 C ATOM 1631 O GLN B 51 -6.702 -10.397 -2.414 1.00 0.47 O ATOM 1632 CB GLN B 51 -4.716 -12.121 -4.397 1.00 0.51 C ATOM 1633 CG GLN B 51 -4.842 -12.510 -5.865 1.00 0.78 C ATOM 1634 CD GLN B 51 -3.700 -12.009 -6.728 1.00 1.02 C ATOM 1635 OE1 GLN B 51 -2.686 -12.686 -6.885 1.00 1.84 O ATOM 1636 NE2 GLN B 51 -3.865 -10.832 -7.308 1.00 1.35 N ATOM 0 H GLN B 51 -3.006 -10.321 -4.646 1.00 0.39 H new ATOM 0 HA GLN B 51 -5.785 -10.301 -4.785 1.00 0.43 H new ATOM 0 HB2 GLN B 51 -3.706 -12.353 -4.058 1.00 0.51 H new ATOM 0 HB3 GLN B 51 -5.398 -12.737 -3.811 1.00 0.51 H new ATOM 0 HG2 GLN B 51 -4.894 -13.596 -5.941 1.00 0.78 H new ATOM 0 HG3 GLN B 51 -5.781 -12.118 -6.256 1.00 0.78 H new ATOM 0 HE21 GLN B 51 -4.722 -10.302 -7.151 1.00 1.35 H new ATOM 0 HE22 GLN B 51 -3.135 -10.454 -7.912 1.00 1.35 H new ATOM 1645 N CYS B 52 -4.559 -10.480 -1.729 1.00 0.45 N ATOM 1646 CA CYS B 52 -4.888 -10.351 -0.318 1.00 0.52 C ATOM 1647 C CYS B 52 -5.502 -8.986 -0.019 1.00 0.53 C ATOM 1648 O CYS B 52 -6.535 -8.904 0.636 1.00 0.59 O ATOM 1649 CB CYS B 52 -3.643 -10.577 0.537 1.00 0.59 C ATOM 1650 SG CYS B 52 -2.913 -12.218 0.343 1.00 0.69 S ATOM 0 H CYS B 52 -3.560 -10.551 -1.923 1.00 0.45 H new ATOM 0 HA CYS B 52 -5.628 -11.112 -0.070 1.00 0.52 H new ATOM 0 HB2 CYS B 52 -2.897 -9.825 0.281 1.00 0.59 H new ATOM 0 HB3 CYS B 52 -3.901 -10.426 1.585 1.00 0.59 H new ATOM 0 HG CYS B 52 -2.237 -12.264 -0.767 1.00 0.69 H new ATOM 1656 N LEU B 53 -4.875 -7.923 -0.519 1.00 0.49 N ATOM 1657 CA LEU B 53 -5.371 -6.563 -0.314 1.00 0.53 C ATOM 1658 C LEU B 53 -6.765 -6.405 -0.914 1.00 0.50 C ATOM 1659 O LEU B 53 -7.660 -5.832 -0.290 1.00 0.57 O ATOM 1660 CB LEU B 53 -4.416 -5.539 -0.941 1.00 0.63 C ATOM 1661 CG LEU B 53 -2.999 -5.512 -0.358 1.00 0.54 C ATOM 1662 CD1 LEU B 53 -2.111 -4.578 -1.165 1.00 0.76 C ATOM 1663 CD2 LEU B 53 -3.022 -5.084 1.102 1.00 0.61 C ATOM 0 H LEU B 53 -4.019 -7.978 -1.071 1.00 0.49 H new ATOM 0 HA LEU B 53 -5.426 -6.382 0.759 1.00 0.53 H new ATOM 0 HB2 LEU B 53 -4.346 -5.741 -2.010 1.00 0.63 H new ATOM 0 HB3 LEU B 53 -4.853 -4.547 -0.832 1.00 0.63 H new ATOM 0 HG LEU B 53 -2.590 -6.521 -0.414 1.00 0.54 H new ATOM 0 HD11 LEU B 53 -1.108 -4.570 -0.738 1.00 0.76 H new ATOM 0 HD12 LEU B 53 -2.063 -4.924 -2.198 1.00 0.76 H new ATOM 0 HD13 LEU B 53 -2.524 -3.570 -1.139 1.00 0.76 H new ATOM 0 HD21 LEU B 53 -2.005 -5.072 1.494 1.00 0.61 H new ATOM 0 HD22 LEU B 53 -3.453 -4.086 1.182 1.00 0.61 H new ATOM 0 HD23 LEU B 53 -3.625 -5.787 1.678 1.00 0.61 H new ATOM 1675 N GLU B 54 -6.937 -6.933 -2.121 1.00 0.46 N ATOM 1676 CA GLU B 54 -8.225 -6.908 -2.805 1.00 0.50 C ATOM 1677 C GLU B 54 -9.299 -7.588 -1.960 1.00 0.56 C ATOM 1678 O GLU B 54 -10.373 -7.028 -1.725 1.00 0.65 O ATOM 1679 CB GLU B 54 -8.097 -7.604 -4.166 1.00 0.55 C ATOM 1680 CG GLU B 54 -9.417 -7.790 -4.893 1.00 0.73 C ATOM 1681 CD GLU B 54 -9.244 -8.391 -6.272 1.00 1.06 C ATOM 1682 OE1 GLU B 54 -9.071 -9.625 -6.374 1.00 1.62 O ATOM 1683 OE2 GLU B 54 -9.283 -7.636 -7.264 1.00 1.66 O ATOM 0 H GLU B 54 -6.193 -7.388 -2.650 1.00 0.46 H new ATOM 0 HA GLU B 54 -8.523 -5.871 -2.958 1.00 0.50 H new ATOM 0 HB2 GLU B 54 -7.425 -7.023 -4.798 1.00 0.55 H new ATOM 0 HB3 GLU B 54 -7.634 -8.580 -4.021 1.00 0.55 H new ATOM 0 HG2 GLU B 54 -10.067 -8.433 -4.300 1.00 0.73 H new ATOM 0 HG3 GLU B 54 -9.918 -6.826 -4.981 1.00 0.73 H new ATOM 1690 N THR B 55 -8.986 -8.784 -1.485 1.00 0.61 N ATOM 1691 CA THR B 55 -9.921 -9.564 -0.690 1.00 0.77 C ATOM 1692 C THR B 55 -10.139 -8.924 0.686 1.00 0.83 C ATOM 1693 O THR B 55 -11.211 -9.044 1.281 1.00 0.98 O ATOM 1694 CB THR B 55 -9.404 -11.007 -0.515 1.00 0.95 C ATOM 1695 OG1 THR B 55 -9.034 -11.549 -1.792 1.00 0.99 O ATOM 1696 CG2 THR B 55 -10.461 -11.893 0.123 1.00 1.15 C ATOM 0 H THR B 55 -8.085 -9.238 -1.638 1.00 0.61 H new ATOM 0 HA THR B 55 -10.874 -9.585 -1.219 1.00 0.77 H new ATOM 0 HB THR B 55 -8.534 -10.979 0.141 1.00 0.95 H new ATOM 0 HG1 THR B 55 -8.173 -11.173 -2.070 1.00 0.99 H new ATOM 0 HG21 THR B 55 -10.069 -12.904 0.234 1.00 1.15 H new ATOM 0 HG22 THR B 55 -10.725 -11.496 1.103 1.00 1.15 H new ATOM 0 HG23 THR B 55 -11.348 -11.915 -0.510 1.00 1.15 H new ATOM 1704 N ALA B 56 -9.118 -8.235 1.174 1.00 0.76 N ATOM 1705 CA ALA B 56 -9.160 -7.616 2.491 1.00 0.87 C ATOM 1706 C ALA B 56 -10.037 -6.370 2.506 1.00 0.88 C ATOM 1707 O ALA B 56 -11.051 -6.325 3.198 1.00 1.14 O ATOM 1708 CB ALA B 56 -7.758 -7.268 2.947 1.00 0.89 C ATOM 0 H ALA B 56 -8.242 -8.090 0.672 1.00 0.76 H new ATOM 0 HA ALA B 56 -9.599 -8.338 3.180 1.00 0.87 H new ATOM 0 HB1 ALA B 56 -7.800 -6.806 3.933 1.00 0.89 H new ATOM 0 HB2 ALA B 56 -7.156 -8.175 2.997 1.00 0.89 H new ATOM 0 HB3 ALA B 56 -7.307 -6.572 2.239 1.00 0.89 H new ATOM 1714 N PHE B 57 -9.651 -5.363 1.731 1.00 0.76 N ATOM 1715 CA PHE B 57 -10.345 -4.084 1.739 1.00 1.05 C ATOM 1716 C PHE B 57 -11.733 -4.192 1.115 1.00 1.57 C ATOM 1717 O PHE B 57 -12.589 -3.330 1.328 1.00 2.06 O ATOM 1718 CB PHE B 57 -9.528 -3.039 0.987 1.00 1.04 C ATOM 1719 CG PHE B 57 -8.265 -2.607 1.681 1.00 0.92 C ATOM 1720 CD1 PHE B 57 -8.279 -1.552 2.580 1.00 1.47 C ATOM 1721 CD2 PHE B 57 -7.059 -3.232 1.411 1.00 1.49 C ATOM 1722 CE1 PHE B 57 -7.114 -1.130 3.193 1.00 1.47 C ATOM 1723 CE2 PHE B 57 -5.894 -2.818 2.026 1.00 1.50 C ATOM 1724 CZ PHE B 57 -5.920 -1.763 2.915 1.00 0.92 C ATOM 0 H PHE B 57 -8.860 -5.409 1.089 1.00 0.76 H new ATOM 0 HA PHE B 57 -10.463 -3.781 2.779 1.00 1.05 H new ATOM 0 HB2 PHE B 57 -9.269 -3.438 0.006 1.00 1.04 H new ATOM 0 HB3 PHE B 57 -10.152 -2.161 0.820 1.00 1.04 H new ATOM 0 HD1 PHE B 57 -9.211 -1.054 2.804 1.00 1.47 H new ATOM 0 HD2 PHE B 57 -7.029 -4.054 0.711 1.00 1.49 H new ATOM 0 HE1 PHE B 57 -7.138 -0.305 3.889 1.00 1.47 H new ATOM 0 HE2 PHE B 57 -4.962 -3.320 1.811 1.00 1.50 H new ATOM 0 HZ PHE B 57 -5.009 -1.434 3.392 1.00 0.92 H new ATOM 1734 N GLY B 58 -11.949 -5.253 0.347 1.00 1.71 N ATOM 1735 CA GLY B 58 -13.223 -5.440 -0.317 1.00 2.29 C ATOM 1736 C GLY B 58 -13.310 -4.633 -1.594 1.00 2.05 C ATOM 1737 O GLY B 58 -14.398 -4.252 -2.029 1.00 2.60 O ATOM 0 H GLY B 58 -11.263 -5.988 0.173 1.00 1.71 H new ATOM 0 HA2 GLY B 58 -13.364 -6.497 -0.544 1.00 2.29 H new ATOM 0 HA3 GLY B 58 -14.030 -5.147 0.355 1.00 2.29 H new ATOM 1741 N VAL B 59 -12.159 -4.371 -2.191 1.00 1.35 N ATOM 1742 CA VAL B 59 -12.091 -3.587 -3.412 1.00 1.13 C ATOM 1743 C VAL B 59 -11.945 -4.500 -4.621 1.00 1.04 C ATOM 1744 O VAL B 59 -11.422 -5.604 -4.510 1.00 1.22 O ATOM 1745 CB VAL B 59 -10.921 -2.576 -3.375 1.00 0.93 C ATOM 1746 CG1 VAL B 59 -11.119 -1.575 -2.251 1.00 1.23 C ATOM 1747 CG2 VAL B 59 -9.584 -3.286 -3.217 1.00 1.00 C ATOM 0 H VAL B 59 -11.254 -4.692 -1.847 1.00 1.35 H new ATOM 0 HA VAL B 59 -13.022 -3.026 -3.493 1.00 1.13 H new ATOM 0 HB VAL B 59 -10.911 -2.042 -4.325 1.00 0.93 H new ATOM 0 HG11 VAL B 59 -10.287 -0.871 -2.240 1.00 1.23 H new ATOM 0 HG12 VAL B 59 -12.051 -1.032 -2.407 1.00 1.23 H new ATOM 0 HG13 VAL B 59 -11.162 -2.102 -1.298 1.00 1.23 H new ATOM 0 HG21 VAL B 59 -8.781 -2.549 -3.194 1.00 1.00 H new ATOM 0 HG22 VAL B 59 -9.581 -3.854 -2.287 1.00 1.00 H new ATOM 0 HG23 VAL B 59 -9.431 -3.964 -4.057 1.00 1.00 H new ATOM 1757 N THR B 60 -12.435 -4.047 -5.764 1.00 1.17 N ATOM 1758 CA THR B 60 -12.338 -4.808 -7.000 1.00 1.30 C ATOM 1759 C THR B 60 -11.977 -3.879 -8.152 1.00 1.16 C ATOM 1760 O THR B 60 -11.665 -2.710 -7.929 1.00 1.14 O ATOM 1761 CB THR B 60 -13.664 -5.530 -7.332 1.00 1.94 C ATOM 1762 OG1 THR B 60 -14.741 -4.583 -7.397 1.00 2.24 O ATOM 1763 CG2 THR B 60 -13.985 -6.597 -6.300 1.00 2.38 C ATOM 0 H THR B 60 -12.908 -3.148 -5.862 1.00 1.17 H new ATOM 0 HA THR B 60 -11.561 -5.560 -6.863 1.00 1.30 H new ATOM 0 HB THR B 60 -13.545 -6.014 -8.301 1.00 1.94 H new ATOM 0 HG1 THR B 60 -15.515 -4.997 -7.833 1.00 2.24 H new ATOM 0 HG21 THR B 60 -14.923 -7.086 -6.562 1.00 2.38 H new ATOM 0 HG22 THR B 60 -13.184 -7.336 -6.279 1.00 2.38 H new ATOM 0 HG23 THR B 60 -14.079 -6.136 -5.317 1.00 2.38 H new ATOM 1771 N VAL B 61 -12.018 -4.387 -9.377 1.00 1.40 N ATOM 1772 CA VAL B 61 -11.819 -3.549 -10.552 1.00 1.59 C ATOM 1773 C VAL B 61 -12.919 -2.482 -10.628 1.00 1.83 C ATOM 1774 O VAL B 61 -12.718 -1.398 -11.173 1.00 2.11 O ATOM 1775 CB VAL B 61 -11.792 -4.393 -11.848 1.00 1.80 C ATOM 1776 CG1 VAL B 61 -13.097 -5.156 -12.031 1.00 2.21 C ATOM 1777 CG2 VAL B 61 -11.500 -3.523 -13.064 1.00 1.95 C ATOM 0 H VAL B 61 -12.187 -5.372 -9.582 1.00 1.40 H new ATOM 0 HA VAL B 61 -10.851 -3.056 -10.458 1.00 1.59 H new ATOM 0 HB VAL B 61 -10.986 -5.120 -11.753 1.00 1.80 H new ATOM 0 HG11 VAL B 61 -13.051 -5.741 -12.950 1.00 2.21 H new ATOM 0 HG12 VAL B 61 -13.250 -5.824 -11.183 1.00 2.21 H new ATOM 0 HG13 VAL B 61 -13.926 -4.450 -12.091 1.00 2.21 H new ATOM 0 HG21 VAL B 61 -11.487 -4.143 -13.960 1.00 1.95 H new ATOM 0 HG22 VAL B 61 -12.274 -2.761 -13.161 1.00 1.95 H new ATOM 0 HG23 VAL B 61 -10.530 -3.041 -12.942 1.00 1.95 H new ATOM 1787 N GLU B 62 -14.066 -2.792 -10.035 1.00 1.89 N ATOM 1788 CA GLU B 62 -15.179 -1.853 -9.945 1.00 2.15 C ATOM 1789 C GLU B 62 -14.810 -0.701 -9.017 1.00 1.63 C ATOM 1790 O GLU B 62 -15.094 0.469 -9.289 1.00 1.65 O ATOM 1791 CB GLU B 62 -16.406 -2.579 -9.405 1.00 2.86 C ATOM 1792 CG GLU B 62 -16.746 -3.838 -10.180 1.00 3.13 C ATOM 1793 CD GLU B 62 -17.579 -4.803 -9.369 1.00 3.56 C ATOM 1794 OE1 GLU B 62 -16.991 -5.585 -8.588 1.00 4.00 O ATOM 1795 OE2 GLU B 62 -18.817 -4.791 -9.506 1.00 3.97 O ATOM 0 H GLU B 62 -14.251 -3.698 -9.604 1.00 1.89 H new ATOM 0 HA GLU B 62 -15.399 -1.453 -10.935 1.00 2.15 H new ATOM 0 HB2 GLU B 62 -16.236 -2.838 -8.360 1.00 2.86 H new ATOM 0 HB3 GLU B 62 -17.261 -1.903 -9.430 1.00 2.86 H new ATOM 0 HG2 GLU B 62 -17.287 -3.569 -11.087 1.00 3.13 H new ATOM 0 HG3 GLU B 62 -15.825 -4.330 -10.492 1.00 3.13 H new ATOM 1802 N ASP B 63 -14.151 -1.044 -7.921 1.00 1.36 N ATOM 1803 CA ASP B 63 -13.686 -0.050 -6.965 1.00 1.61 C ATOM 1804 C ASP B 63 -12.476 0.675 -7.542 1.00 1.59 C ATOM 1805 O ASP B 63 -12.107 1.759 -7.110 1.00 1.93 O ATOM 1806 CB ASP B 63 -13.330 -0.719 -5.640 1.00 1.89 C ATOM 1807 CG ASP B 63 -13.598 0.178 -4.451 1.00 2.88 C ATOM 1808 OD1 ASP B 63 -14.755 0.182 -3.965 1.00 3.35 O ATOM 1809 OD2 ASP B 63 -12.668 0.861 -3.990 1.00 3.62 O ATOM 0 H ASP B 63 -13.925 -2.007 -7.671 1.00 1.36 H new ATOM 0 HA ASP B 63 -14.479 0.674 -6.777 1.00 1.61 H new ATOM 0 HB2 ASP B 63 -13.905 -1.639 -5.535 1.00 1.89 H new ATOM 0 HB3 ASP B 63 -12.277 -1.000 -5.649 1.00 1.89 H new ATOM 1814 N SER B 64 -11.870 0.054 -8.541 1.00 1.56 N ATOM 1815 CA SER B 64 -10.788 0.670 -9.283 1.00 1.82 C ATOM 1816 C SER B 64 -11.354 1.556 -10.389 1.00 1.73 C ATOM 1817 O SER B 64 -10.634 2.348 -10.994 1.00 1.91 O ATOM 1818 CB SER B 64 -9.878 -0.410 -9.873 1.00 2.42 C ATOM 1819 OG SER B 64 -8.758 0.159 -10.527 1.00 2.92 O ATOM 0 H SER B 64 -12.114 -0.885 -8.857 1.00 1.56 H new ATOM 0 HA SER B 64 -10.198 1.290 -8.608 1.00 1.82 H new ATOM 0 HB2 SER B 64 -9.538 -1.075 -9.079 1.00 2.42 H new ATOM 0 HB3 SER B 64 -10.443 -1.018 -10.579 1.00 2.42 H new ATOM 0 HG SER B 64 -9.000 1.038 -10.886 1.00 2.92 H new ATOM 1825 N ASP B 65 -12.648 1.406 -10.649 1.00 1.68 N ATOM 1826 CA ASP B 65 -13.331 2.205 -11.659 1.00 2.03 C ATOM 1827 C ASP B 65 -13.648 3.588 -11.107 1.00 1.91 C ATOM 1828 O ASP B 65 -13.693 4.571 -11.845 1.00 2.28 O ATOM 1829 CB ASP B 65 -14.609 1.499 -12.118 1.00 2.26 C ATOM 1830 CG ASP B 65 -15.416 2.316 -13.107 1.00 2.89 C ATOM 1831 OD1 ASP B 65 -14.951 2.510 -14.251 1.00 3.46 O ATOM 1832 OD2 ASP B 65 -16.523 2.759 -12.745 1.00 3.35 O ATOM 0 H ASP B 65 -13.248 0.734 -10.171 1.00 1.68 H new ATOM 0 HA ASP B 65 -12.675 2.320 -12.522 1.00 2.03 H new ATOM 0 HB2 ASP B 65 -14.346 0.544 -12.573 1.00 2.26 H new ATOM 0 HB3 ASP B 65 -15.227 1.278 -11.248 1.00 2.26 H new ATOM 1837 N LEU B 66 -13.841 3.663 -9.794 1.00 1.52 N ATOM 1838 CA LEU B 66 -14.006 4.953 -9.115 1.00 1.62 C ATOM 1839 C LEU B 66 -12.644 5.609 -8.856 1.00 1.45 C ATOM 1840 O LEU B 66 -12.480 6.394 -7.918 1.00 1.72 O ATOM 1841 CB LEU B 66 -14.818 4.795 -7.814 1.00 1.77 C ATOM 1842 CG LEU B 66 -14.326 3.740 -6.817 1.00 1.59 C ATOM 1843 CD1 LEU B 66 -13.318 4.329 -5.839 1.00 1.87 C ATOM 1844 CD2 LEU B 66 -15.501 3.140 -6.063 1.00 1.57 C ATOM 0 H LEU B 66 -13.888 2.852 -9.177 1.00 1.52 H new ATOM 0 HA LEU B 66 -14.572 5.614 -9.771 1.00 1.62 H new ATOM 0 HB2 LEU B 66 -14.838 5.759 -7.306 1.00 1.77 H new ATOM 0 HB3 LEU B 66 -15.847 4.555 -8.082 1.00 1.77 H new ATOM 0 HG LEU B 66 -13.826 2.953 -7.381 1.00 1.59 H new ATOM 0 HD11 LEU B 66 -12.989 3.555 -5.146 1.00 1.87 H new ATOM 0 HD12 LEU B 66 -12.459 4.713 -6.389 1.00 1.87 H new ATOM 0 HD13 LEU B 66 -13.784 5.141 -5.281 1.00 1.87 H new ATOM 0 HD21 LEU B 66 -15.137 2.392 -5.358 1.00 1.57 H new ATOM 0 HD22 LEU B 66 -16.024 3.927 -5.520 1.00 1.57 H new ATOM 0 HD23 LEU B 66 -16.185 2.670 -6.770 1.00 1.57 H new ATOM 1856 N ALA B 67 -11.679 5.272 -9.711 1.00 1.30 N ATOM 1857 CA ALA B 67 -10.300 5.729 -9.586 1.00 1.26 C ATOM 1858 C ALA B 67 -10.191 7.243 -9.451 1.00 1.28 C ATOM 1859 O ALA B 67 -10.882 8.001 -10.138 1.00 1.54 O ATOM 1860 CB ALA B 67 -9.488 5.260 -10.779 1.00 1.48 C ATOM 0 H ALA B 67 -11.837 4.668 -10.517 1.00 1.30 H new ATOM 0 HA ALA B 67 -9.903 5.295 -8.669 1.00 1.26 H new ATOM 0 HB1 ALA B 67 -8.459 5.606 -10.678 1.00 1.48 H new ATOM 0 HB2 ALA B 67 -9.502 4.171 -10.823 1.00 1.48 H new ATOM 0 HB3 ALA B 67 -9.919 5.666 -11.694 1.00 1.48 H new ATOM 1866 N LEU B 68 -9.313 7.665 -8.554 1.00 1.16 N ATOM 1867 CA LEU B 68 -9.032 9.076 -8.334 1.00 1.29 C ATOM 1868 C LEU B 68 -8.333 9.683 -9.554 1.00 1.56 C ATOM 1869 O LEU B 68 -7.706 8.954 -10.330 1.00 1.55 O ATOM 1870 CB LEU B 68 -8.167 9.246 -7.076 1.00 1.25 C ATOM 1871 CG LEU B 68 -8.862 8.890 -5.756 1.00 1.19 C ATOM 1872 CD1 LEU B 68 -7.892 8.996 -4.585 1.00 1.21 C ATOM 1873 CD2 LEU B 68 -10.065 9.793 -5.528 1.00 1.18 C ATOM 0 H LEU B 68 -8.774 7.038 -7.957 1.00 1.16 H new ATOM 0 HA LEU B 68 -9.975 9.603 -8.187 1.00 1.29 H new ATOM 0 HB2 LEU B 68 -7.277 8.625 -7.179 1.00 1.25 H new ATOM 0 HB3 LEU B 68 -7.829 10.281 -7.023 1.00 1.25 H new ATOM 0 HG LEU B 68 -9.206 7.858 -5.822 1.00 1.19 H new ATOM 0 HD11 LEU B 68 -8.409 8.739 -3.660 1.00 1.21 H new ATOM 0 HD12 LEU B 68 -7.060 8.309 -4.739 1.00 1.21 H new ATOM 0 HD13 LEU B 68 -7.513 10.016 -4.517 1.00 1.21 H new ATOM 0 HD21 LEU B 68 -10.547 9.527 -4.587 1.00 1.18 H new ATOM 0 HD22 LEU B 68 -9.738 10.832 -5.487 1.00 1.18 H new ATOM 0 HD23 LEU B 68 -10.774 9.668 -6.346 1.00 1.18 H new ATOM 1885 N PRO B 69 -8.454 11.013 -9.748 1.00 1.93 N ATOM 1886 CA PRO B 69 -7.911 11.725 -10.916 1.00 2.36 C ATOM 1887 C PRO B 69 -6.497 11.289 -11.294 1.00 2.25 C ATOM 1888 O PRO B 69 -6.221 10.983 -12.455 1.00 2.62 O ATOM 1889 CB PRO B 69 -7.910 13.200 -10.477 1.00 2.75 C ATOM 1890 CG PRO B 69 -8.349 13.206 -9.048 1.00 2.57 C ATOM 1891 CD PRO B 69 -9.135 11.946 -8.849 1.00 2.06 C ATOM 0 HA PRO B 69 -8.508 11.523 -11.806 1.00 2.36 H new ATOM 0 HB2 PRO B 69 -6.917 13.637 -10.582 1.00 2.75 H new ATOM 0 HB3 PRO B 69 -8.586 13.791 -11.095 1.00 2.75 H new ATOM 0 HG2 PRO B 69 -7.491 13.240 -8.377 1.00 2.57 H new ATOM 0 HG3 PRO B 69 -8.958 14.084 -8.831 1.00 2.57 H new ATOM 0 HD2 PRO B 69 -9.107 11.608 -7.813 1.00 2.06 H new ATOM 0 HD3 PRO B 69 -10.184 12.074 -9.114 1.00 2.06 H new ATOM 1899 N GLN B 70 -5.612 11.244 -10.312 1.00 1.85 N ATOM 1900 CA GLN B 70 -4.233 10.862 -10.553 1.00 1.82 C ATOM 1901 C GLN B 70 -3.892 9.613 -9.759 1.00 1.41 C ATOM 1902 O GLN B 70 -4.596 9.264 -8.808 1.00 1.29 O ATOM 1903 CB GLN B 70 -3.292 12.008 -10.178 1.00 1.93 C ATOM 1904 CG GLN B 70 -3.231 12.294 -8.686 1.00 1.65 C ATOM 1905 CD GLN B 70 -2.458 13.558 -8.379 1.00 2.18 C ATOM 1906 OE1 GLN B 70 -3.034 14.641 -8.267 1.00 2.66 O ATOM 1907 NE2 GLN B 70 -1.147 13.437 -8.269 1.00 2.76 N ATOM 0 H GLN B 70 -5.825 11.468 -9.340 1.00 1.85 H new ATOM 0 HA GLN B 70 -4.107 10.646 -11.614 1.00 1.82 H new ATOM 0 HB2 GLN B 70 -2.289 11.772 -10.534 1.00 1.93 H new ATOM 0 HB3 GLN B 70 -3.611 12.911 -10.698 1.00 1.93 H new ATOM 0 HG2 GLN B 70 -4.244 12.385 -8.293 1.00 1.65 H new ATOM 0 HG3 GLN B 70 -2.765 11.452 -8.175 1.00 1.65 H new ATOM 0 HE21 GLN B 70 -0.709 12.521 -8.369 1.00 2.76 H new ATOM 0 HE22 GLN B 70 -0.573 14.259 -8.084 1.00 2.76 H new ATOM 1916 N THR B 71 -2.819 8.942 -10.148 1.00 1.34 N ATOM 1917 CA THR B 71 -2.390 7.745 -9.455 1.00 1.13 C ATOM 1918 C THR B 71 -1.851 8.097 -8.072 1.00 0.85 C ATOM 1919 O THR B 71 -1.213 9.133 -7.873 1.00 0.83 O ATOM 1920 CB THR B 71 -1.310 7.007 -10.270 1.00 1.22 C ATOM 1921 OG1 THR B 71 -0.331 7.940 -10.744 1.00 1.53 O ATOM 1922 CG2 THR B 71 -1.927 6.270 -11.451 1.00 1.55 C ATOM 0 H THR B 71 -2.232 9.208 -10.939 1.00 1.34 H new ATOM 0 HA THR B 71 -3.252 7.087 -9.340 1.00 1.13 H new ATOM 0 HB THR B 71 -0.832 6.277 -9.617 1.00 1.22 H new ATOM 0 HG1 THR B 71 0.353 7.463 -11.259 1.00 1.53 H new ATOM 0 HG21 THR B 71 -1.144 5.758 -12.010 1.00 1.55 H new ATOM 0 HG22 THR B 71 -2.650 5.540 -11.087 1.00 1.55 H new ATOM 0 HG23 THR B 71 -2.430 6.984 -12.103 1.00 1.55 H new ATOM 1930 N LEU B 72 -2.098 7.208 -7.123 1.00 0.80 N ATOM 1931 CA LEU B 72 -1.785 7.464 -5.724 1.00 0.66 C ATOM 1932 C LEU B 72 -0.316 7.207 -5.392 1.00 0.66 C ATOM 1933 O LEU B 72 0.256 7.947 -4.601 1.00 0.67 O ATOM 1934 CB LEU B 72 -2.699 6.658 -4.802 1.00 0.78 C ATOM 1935 CG LEU B 72 -4.149 7.165 -4.700 1.00 0.97 C ATOM 1936 CD1 LEU B 72 -4.175 8.613 -4.235 1.00 1.47 C ATOM 1937 CD2 LEU B 72 -4.889 7.023 -6.026 1.00 1.79 C ATOM 0 H LEU B 72 -2.518 6.295 -7.297 1.00 0.80 H new ATOM 0 HA LEU B 72 -1.966 8.525 -5.553 1.00 0.66 H new ATOM 0 HB2 LEU B 72 -2.717 5.625 -5.149 1.00 0.78 H new ATOM 0 HB3 LEU B 72 -2.264 6.651 -3.803 1.00 0.78 H new ATOM 0 HG LEU B 72 -4.663 6.546 -3.964 1.00 0.97 H new ATOM 0 HD11 LEU B 72 -5.208 8.955 -4.168 1.00 1.47 H new ATOM 0 HD12 LEU B 72 -3.704 8.689 -3.255 1.00 1.47 H new ATOM 0 HD13 LEU B 72 -3.632 9.234 -4.948 1.00 1.47 H new ATOM 0 HD21 LEU B 72 -5.909 7.391 -5.915 1.00 1.79 H new ATOM 0 HD22 LEU B 72 -4.376 7.603 -6.793 1.00 1.79 H new ATOM 0 HD23 LEU B 72 -4.912 5.973 -6.319 1.00 1.79 H new ATOM 1949 N PRO B 73 0.330 6.155 -5.948 1.00 0.75 N ATOM 1950 CA PRO B 73 1.785 6.004 -5.828 1.00 0.84 C ATOM 1951 C PRO B 73 2.538 7.245 -6.317 1.00 0.80 C ATOM 1952 O PRO B 73 3.616 7.557 -5.817 1.00 0.82 O ATOM 1953 CB PRO B 73 2.087 4.792 -6.708 1.00 1.03 C ATOM 1954 CG PRO B 73 0.836 3.990 -6.653 1.00 1.06 C ATOM 1955 CD PRO B 73 -0.277 4.997 -6.645 1.00 0.84 C ATOM 0 HA PRO B 73 2.105 5.877 -4.794 1.00 0.84 H new ATOM 0 HB2 PRO B 73 2.327 5.089 -7.729 1.00 1.03 H new ATOM 0 HB3 PRO B 73 2.940 4.228 -6.332 1.00 1.03 H new ATOM 0 HG2 PRO B 73 0.758 3.323 -7.512 1.00 1.06 H new ATOM 0 HG3 PRO B 73 0.808 3.365 -5.761 1.00 1.06 H new ATOM 0 HD2 PRO B 73 -0.596 5.255 -7.655 1.00 0.84 H new ATOM 0 HD3 PRO B 73 -1.156 4.624 -6.119 1.00 0.84 H new ATOM 1963 N GLU B 74 1.951 7.957 -7.277 1.00 0.78 N ATOM 1964 CA GLU B 74 2.520 9.211 -7.767 1.00 0.78 C ATOM 1965 C GLU B 74 2.416 10.272 -6.670 1.00 0.64 C ATOM 1966 O GLU B 74 3.385 10.968 -6.365 1.00 0.64 O ATOM 1967 CB GLU B 74 1.782 9.651 -9.038 1.00 0.86 C ATOM 1968 CG GLU B 74 2.541 10.645 -9.911 1.00 1.21 C ATOM 1969 CD GLU B 74 2.519 12.062 -9.373 1.00 1.47 C ATOM 1970 OE1 GLU B 74 1.427 12.668 -9.329 1.00 2.27 O ATOM 1971 OE2 GLU B 74 3.594 12.583 -9.019 1.00 1.67 O ATOM 0 H GLU B 74 1.079 7.686 -7.732 1.00 0.78 H new ATOM 0 HA GLU B 74 3.572 9.074 -8.018 1.00 0.78 H new ATOM 0 HB2 GLU B 74 1.555 8.767 -9.633 1.00 0.86 H new ATOM 0 HB3 GLU B 74 0.829 10.095 -8.752 1.00 0.86 H new ATOM 0 HG2 GLU B 74 3.576 10.317 -10.006 1.00 1.21 H new ATOM 0 HG3 GLU B 74 2.112 10.638 -10.913 1.00 1.21 H new ATOM 1978 N ILE B 75 1.236 10.362 -6.060 1.00 0.58 N ATOM 1979 CA ILE B 75 1.035 11.210 -4.887 1.00 0.53 C ATOM 1980 C ILE B 75 2.029 10.843 -3.792 1.00 0.49 C ATOM 1981 O ILE B 75 2.581 11.711 -3.116 1.00 0.53 O ATOM 1982 CB ILE B 75 -0.409 11.075 -4.335 1.00 0.60 C ATOM 1983 CG1 ILE B 75 -1.378 11.915 -5.162 1.00 0.74 C ATOM 1984 CG2 ILE B 75 -0.486 11.476 -2.865 1.00 0.68 C ATOM 1985 CD1 ILE B 75 -1.153 13.399 -5.009 1.00 1.37 C ATOM 0 H ILE B 75 0.402 9.856 -6.360 1.00 0.58 H new ATOM 0 HA ILE B 75 1.195 12.243 -5.196 1.00 0.53 H new ATOM 0 HB ILE B 75 -0.695 10.026 -4.412 1.00 0.60 H new ATOM 0 HG12 ILE B 75 -1.278 11.645 -6.213 1.00 0.74 H new ATOM 0 HG13 ILE B 75 -2.400 11.676 -4.867 1.00 0.74 H new ATOM 0 HG21 ILE B 75 -1.512 11.369 -2.512 1.00 0.68 H new ATOM 0 HG22 ILE B 75 0.169 10.833 -2.278 1.00 0.68 H new ATOM 0 HG23 ILE B 75 -0.170 12.513 -2.754 1.00 0.68 H new ATOM 0 HD11 ILE B 75 -1.873 13.941 -5.622 1.00 1.37 H new ATOM 0 HD12 ILE B 75 -1.281 13.681 -3.964 1.00 1.37 H new ATOM 0 HD13 ILE B 75 -0.142 13.649 -5.331 1.00 1.37 H new ATOM 1997 N PHE B 76 2.267 9.550 -3.648 1.00 0.50 N ATOM 1998 CA PHE B 76 3.146 9.032 -2.616 1.00 0.56 C ATOM 1999 C PHE B 76 4.595 9.457 -2.856 1.00 0.59 C ATOM 2000 O PHE B 76 5.413 9.437 -1.943 1.00 0.72 O ATOM 2001 CB PHE B 76 3.042 7.510 -2.569 1.00 0.65 C ATOM 2002 CG PHE B 76 3.056 6.939 -1.179 1.00 2.05 C ATOM 2003 CD1 PHE B 76 4.249 6.625 -0.553 1.00 2.34 C ATOM 2004 CD2 PHE B 76 1.868 6.726 -0.502 1.00 2.12 C ATOM 2005 CE1 PHE B 76 4.257 6.106 0.726 1.00 2.34 C ATOM 2006 CE2 PHE B 76 1.866 6.209 0.776 1.00 2.24 C ATOM 2007 CZ PHE B 76 3.065 5.911 1.391 1.00 2.37 C ATOM 0 H PHE B 76 1.856 8.831 -4.244 1.00 0.50 H new ATOM 0 HA PHE B 76 2.833 9.447 -1.658 1.00 0.56 H new ATOM 0 HB2 PHE B 76 2.122 7.203 -3.067 1.00 0.65 H new ATOM 0 HB3 PHE B 76 3.869 7.082 -3.135 1.00 0.65 H new ATOM 0 HD1 PHE B 76 5.183 6.788 -1.070 1.00 2.34 H new ATOM 0 HD2 PHE B 76 0.931 6.968 -0.981 1.00 2.12 H new ATOM 0 HE1 PHE B 76 5.192 5.854 1.203 1.00 2.34 H new ATOM 0 HE2 PHE B 76 0.933 6.038 1.292 1.00 2.24 H new ATOM 0 HZ PHE B 76 3.070 5.523 2.399 1.00 2.37 H new ATOM 2017 N GLU B 77 4.914 9.833 -4.087 1.00 0.62 N ATOM 2018 CA GLU B 77 6.245 10.334 -4.399 1.00 0.73 C ATOM 2019 C GLU B 77 6.386 11.778 -3.933 1.00 0.69 C ATOM 2020 O GLU B 77 7.443 12.190 -3.451 1.00 0.79 O ATOM 2021 CB GLU B 77 6.524 10.247 -5.903 1.00 0.89 C ATOM 2022 CG GLU B 77 6.402 8.842 -6.464 1.00 1.56 C ATOM 2023 CD GLU B 77 6.793 8.755 -7.922 1.00 1.93 C ATOM 2024 OE1 GLU B 77 5.973 9.114 -8.788 1.00 2.51 O ATOM 2025 OE2 GLU B 77 7.927 8.317 -8.208 1.00 2.40 O ATOM 0 H GLU B 77 4.274 9.801 -4.881 1.00 0.62 H new ATOM 0 HA GLU B 77 6.971 9.713 -3.875 1.00 0.73 H new ATOM 0 HB2 GLU B 77 5.830 10.901 -6.431 1.00 0.89 H new ATOM 0 HB3 GLU B 77 7.528 10.622 -6.100 1.00 0.89 H new ATOM 0 HG2 GLU B 77 7.032 8.168 -5.883 1.00 1.56 H new ATOM 0 HG3 GLU B 77 5.374 8.497 -6.347 1.00 1.56 H new ATOM 2032 N ALA B 78 5.305 12.534 -4.068 1.00 0.60 N ATOM 2033 CA ALA B 78 5.310 13.955 -3.744 1.00 0.61 C ATOM 2034 C ALA B 78 4.998 14.214 -2.271 1.00 0.60 C ATOM 2035 O ALA B 78 5.805 14.795 -1.550 1.00 0.64 O ATOM 2036 CB ALA B 78 4.308 14.685 -4.623 1.00 0.64 C ATOM 0 H ALA B 78 4.407 12.184 -4.402 1.00 0.60 H new ATOM 0 HA ALA B 78 6.315 14.332 -3.933 1.00 0.61 H new ATOM 0 HB1 ALA B 78 4.315 15.747 -4.378 1.00 0.64 H new ATOM 0 HB2 ALA B 78 4.579 14.553 -5.671 1.00 0.64 H new ATOM 0 HB3 ALA B 78 3.311 14.279 -4.452 1.00 0.64 H new ATOM 2042 N ALA B 79 3.831 13.767 -1.829 1.00 0.64 N ATOM 2043 CA ALA B 79 3.336 14.082 -0.493 1.00 0.75 C ATOM 2044 C ALA B 79 4.198 13.465 0.600 1.00 0.86 C ATOM 2045 O ALA B 79 4.435 14.082 1.640 1.00 0.99 O ATOM 2046 CB ALA B 79 1.901 13.613 -0.345 1.00 0.83 C ATOM 0 H ALA B 79 3.204 13.181 -2.380 1.00 0.64 H new ATOM 0 HA ALA B 79 3.383 15.165 -0.376 1.00 0.75 H new ATOM 0 HB1 ALA B 79 1.541 13.853 0.656 1.00 0.83 H new ATOM 0 HB2 ALA B 79 1.276 14.114 -1.085 1.00 0.83 H new ATOM 0 HB3 ALA B 79 1.853 12.535 -0.499 1.00 0.83 H new ATOM 2052 N ALA B 80 4.676 12.253 0.357 1.00 0.90 N ATOM 2053 CA ALA B 80 5.445 11.522 1.354 1.00 1.11 C ATOM 2054 C ALA B 80 6.811 12.158 1.588 1.00 1.26 C ATOM 2055 O ALA B 80 7.427 11.956 2.632 1.00 1.55 O ATOM 2056 CB ALA B 80 5.595 10.070 0.938 1.00 1.25 C ATOM 0 H ALA B 80 4.545 11.754 -0.523 1.00 0.90 H new ATOM 0 HA ALA B 80 4.899 11.566 2.296 1.00 1.11 H new ATOM 0 HB1 ALA B 80 6.172 9.533 1.691 1.00 1.25 H new ATOM 0 HB2 ALA B 80 4.609 9.615 0.844 1.00 1.25 H new ATOM 0 HB3 ALA B 80 6.112 10.018 -0.020 1.00 1.25 H new ATOM 2062 N THR B 81 7.276 12.937 0.620 1.00 1.23 N ATOM 2063 CA THR B 81 8.557 13.612 0.743 1.00 1.46 C ATOM 2064 C THR B 81 8.364 15.067 1.163 1.00 1.63 C ATOM 2065 O THR B 81 9.316 15.844 1.224 1.00 1.88 O ATOM 2066 CB THR B 81 9.350 13.549 -0.576 1.00 1.59 C ATOM 2067 OG1 THR B 81 8.522 13.959 -1.671 1.00 2.33 O ATOM 2068 CG2 THR B 81 9.864 12.143 -0.828 1.00 1.64 C ATOM 0 H THR B 81 6.785 13.115 -0.256 1.00 1.23 H new ATOM 0 HA THR B 81 9.128 13.094 1.514 1.00 1.46 H new ATOM 0 HB THR B 81 10.201 14.225 -0.493 1.00 1.59 H new ATOM 0 HG1 THR B 81 8.296 13.179 -2.220 1.00 2.33 H new ATOM 0 HG21 THR B 81 10.421 12.122 -1.765 1.00 1.64 H new ATOM 0 HG22 THR B 81 10.518 11.843 -0.010 1.00 1.64 H new ATOM 0 HG23 THR B 81 9.022 11.454 -0.891 1.00 1.64 H new ATOM 2076 N GLY B 82 7.123 15.425 1.462 1.00 1.68 N ATOM 2077 CA GLY B 82 6.824 16.774 1.886 1.00 2.13 C ATOM 2078 C GLY B 82 6.925 16.932 3.388 1.00 1.99 C ATOM 2079 O GLY B 82 5.915 16.896 4.091 1.00 2.59 O ATOM 0 H GLY B 82 6.317 14.802 1.418 1.00 1.68 H new ATOM 0 HA2 GLY B 82 7.512 17.467 1.402 1.00 2.13 H new ATOM 0 HA3 GLY B 82 5.819 17.042 1.560 1.00 2.13 H new ATOM 2083 N LYS B 83 8.143 17.080 3.881 1.00 1.88 N ATOM 2084 CA LYS B 83 8.370 17.262 5.304 1.00 2.11 C ATOM 2085 C LYS B 83 8.449 18.746 5.631 1.00 2.84 C ATOM 2086 O LYS B 83 7.481 19.280 6.209 1.00 3.19 O ATOM 2087 CB LYS B 83 9.653 16.547 5.740 1.00 2.30 C ATOM 2088 CG LYS B 83 9.952 16.681 7.226 1.00 2.77 C ATOM 2089 CD LYS B 83 11.170 15.865 7.634 1.00 3.43 C ATOM 2090 CE LYS B 83 12.431 16.328 6.921 1.00 3.92 C ATOM 2091 NZ LYS B 83 13.620 15.541 7.342 1.00 4.40 N ATOM 2092 OXT LYS B 83 9.470 19.378 5.286 1.00 3.61 O ATOM 0 H LYS B 83 8.992 17.078 3.315 1.00 1.88 H new ATOM 0 HA LYS B 83 7.535 16.825 5.851 1.00 2.11 H new ATOM 0 HB2 LYS B 83 9.573 15.490 5.488 1.00 2.30 H new ATOM 0 HB3 LYS B 83 10.493 16.947 5.172 1.00 2.30 H new ATOM 0 HG2 LYS B 83 10.119 17.730 7.470 1.00 2.77 H new ATOM 0 HG3 LYS B 83 9.086 16.354 7.802 1.00 2.77 H new ATOM 0 HD2 LYS B 83 11.314 15.942 8.712 1.00 3.43 H new ATOM 0 HD3 LYS B 83 10.993 14.813 7.411 1.00 3.43 H new ATOM 0 HE2 LYS B 83 12.295 16.234 5.844 1.00 3.92 H new ATOM 0 HE3 LYS B 83 12.601 17.384 7.130 1.00 3.92 H new ATOM 0 HZ1 LYS B 83 14.461 15.885 6.835 1.00 4.40 H new ATOM 0 HZ2 LYS B 83 13.764 15.651 8.366 1.00 4.40 H new ATOM 0 HZ3 LYS B 83 13.468 14.537 7.119 1.00 4.40 H new TER 2106 LYS B 83