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 23 TYR OH : rot 180:sc= 1.03 USER MOD Set 1.2: B 64 SER OG : rot 56:sc= 1.25 USER MOD Set 2.1: A 83 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0863) USER MOD Set 2.2: B 70 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Set 3.1: A 70 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Set 3.2: B 83 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0803) USER MOD Set 4.1: A 23 TYR OH : rot 180:sc= 1.02 USER MOD Set 4.2: A 64 SER OG : rot 58:sc= 1.22 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -4.87! C(o=-4.9!,f=-6!) USER MOD Single : A 18 LYS NZ :NH3+ 158:sc= 1.26 (180deg=0.312) USER MOD Single : A 19 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00864) USER MOD Single : A 27 GLN : amide:sc= -0.214 K(o=-0.21,f=-0.79) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -1.57 K(o=-1.6,f=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.135 X(o=-0.14,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0.037 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.926 K(o=-0.93,f=0) USER MOD Single : A 45 SER OG : rot 66:sc= 1.2 USER MOD Single : A 51 GLN : amide:sc= -0.0709 K(o=-0.071,f=-0.63) USER MOD Single : A 52 CYS SG : rot 75:sc= 1.09 USER MOD Single : A 55 THR OG1 : rot 78:sc= 1.26 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0725 USER MOD Single : A 81 THR OG1 : rot -106:sc= 1.36 USER MOD Single : B 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 17 ASN : amide:sc= -4.97! C(o=-5!,f=-6.1!) USER MOD Single : B 18 LYS NZ :NH3+ -118:sc= 1.25 (180deg=0.423) USER MOD Single : B 19 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00144) USER MOD Single : B 27 GLN : amide:sc= -0.15 K(o=-0.15,f=-0.7) USER MOD Single : B 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 32 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.00027) USER MOD Single : B 35 HIS : no HD1:sc= -0.1 X(o=-0.1,f=0) USER MOD Single : B 39 SER OG : rot 180:sc= 0.0438 USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 43 GLN : amide:sc= -0.985 K(o=-0.99,f=-0.00045) USER MOD Single : B 45 SER OG : rot 68:sc= 1.24 USER MOD Single : B 51 GLN : amide:sc= -0.0698 K(o=-0.07,f=-0.69) USER MOD Single : B 52 CYS SG : rot 74:sc= 1.16 USER MOD Single : B 55 THR OG1 : rot 77:sc= 1.3 USER MOD Single : B 60 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 THR OG1 : rot 180:sc= 0.0695 USER MOD Single : B 81 THR OG1 : rot -102:sc= 1.39 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 16.612 8.842 -3.144 1.00 2.26 N ATOM 2 CA MET A 15 15.963 8.042 -2.080 1.00 1.69 C ATOM 3 C MET A 15 14.689 7.398 -2.607 1.00 1.42 C ATOM 4 O MET A 15 13.737 8.093 -2.963 1.00 1.57 O ATOM 5 CB MET A 15 15.625 8.920 -0.869 1.00 1.82 C ATOM 6 CG MET A 15 16.835 9.584 -0.232 1.00 2.22 C ATOM 7 SD MET A 15 16.412 10.565 1.219 1.00 3.04 S ATOM 8 CE MET A 15 18.022 11.207 1.671 1.00 3.68 C ATOM 0 HA MET A 15 16.661 7.265 -1.770 1.00 1.69 H new ATOM 0 HB2 MET A 15 14.920 9.692 -1.178 1.00 1.82 H new ATOM 0 HB3 MET A 15 15.121 8.310 -0.119 1.00 1.82 H new ATOM 0 HG2 MET A 15 17.557 8.818 0.051 1.00 2.22 H new ATOM 0 HG3 MET A 15 17.322 10.224 -0.968 1.00 2.22 H new ATOM 0 HE1 MET A 15 17.927 11.837 2.556 1.00 3.68 H new ATOM 0 HE2 MET A 15 18.697 10.378 1.886 1.00 3.68 H new ATOM 0 HE3 MET A 15 18.423 11.797 0.847 1.00 3.68 H new ATOM 20 N ASP A 16 14.676 6.071 -2.662 1.00 1.26 N ATOM 21 CA ASP A 16 13.513 5.337 -3.149 1.00 1.13 C ATOM 22 C ASP A 16 12.383 5.404 -2.140 1.00 0.92 C ATOM 23 O ASP A 16 12.568 5.089 -0.965 1.00 1.01 O ATOM 24 CB ASP A 16 13.855 3.871 -3.421 1.00 1.39 C ATOM 25 CG ASP A 16 14.791 3.694 -4.594 1.00 1.84 C ATOM 26 OD1 ASP A 16 16.013 3.878 -4.415 1.00 2.28 O ATOM 27 OD2 ASP A 16 14.313 3.363 -5.699 1.00 2.40 O ATOM 0 H ASP A 16 15.457 5.481 -2.376 1.00 1.26 H new ATOM 0 HA ASP A 16 13.200 5.804 -4.083 1.00 1.13 H new ATOM 0 HB2 ASP A 16 14.311 3.438 -2.530 1.00 1.39 H new ATOM 0 HB3 ASP A 16 12.935 3.317 -3.610 1.00 1.39 H new ATOM 32 N ASN A 17 11.213 5.811 -2.599 1.00 0.78 N ATOM 33 CA ASN A 17 10.051 5.898 -1.725 1.00 0.74 C ATOM 34 C ASN A 17 9.360 4.550 -1.632 1.00 0.61 C ATOM 35 O ASN A 17 8.519 4.335 -0.767 1.00 0.65 O ATOM 36 CB ASN A 17 9.047 6.934 -2.234 1.00 0.92 C ATOM 37 CG ASN A 17 8.234 6.438 -3.419 1.00 1.56 C ATOM 38 OD1 ASN A 17 8.744 5.757 -4.306 1.00 2.52 O ATOM 39 ND2 ASN A 17 6.951 6.750 -3.421 1.00 1.71 N ATOM 0 H ASN A 17 11.040 6.086 -3.566 1.00 0.78 H new ATOM 0 HA ASN A 17 10.405 6.204 -0.741 1.00 0.74 H new ATOM 0 HB2 ASN A 17 8.370 7.205 -1.424 1.00 0.92 H new ATOM 0 HB3 ASN A 17 9.581 7.840 -2.520 1.00 0.92 H new ATOM 0 HD21 ASN A 17 6.348 6.424 -4.176 1.00 1.71 H new ATOM 0 HD22 ASN A 17 6.563 7.317 -2.667 1.00 1.71 H new ATOM 46 N LYS A 18 9.721 3.654 -2.540 1.00 0.59 N ATOM 47 CA LYS A 18 9.071 2.355 -2.656 1.00 0.62 C ATOM 48 C LYS A 18 9.158 1.579 -1.346 1.00 0.53 C ATOM 49 O LYS A 18 8.154 1.072 -0.847 1.00 0.48 O ATOM 50 CB LYS A 18 9.711 1.558 -3.795 1.00 0.82 C ATOM 51 CG LYS A 18 9.742 2.309 -5.118 1.00 1.09 C ATOM 52 CD LYS A 18 8.353 2.468 -5.722 1.00 1.04 C ATOM 53 CE LYS A 18 8.361 3.497 -6.842 1.00 1.44 C ATOM 54 NZ LYS A 18 7.102 3.484 -7.635 1.00 1.90 N ATOM 0 H LYS A 18 10.470 3.806 -3.215 1.00 0.59 H new ATOM 0 HA LYS A 18 8.016 2.513 -2.879 1.00 0.62 H new ATOM 0 HB2 LYS A 18 10.730 1.291 -3.514 1.00 0.82 H new ATOM 0 HB3 LYS A 18 9.163 0.625 -3.928 1.00 0.82 H new ATOM 0 HG2 LYS A 18 10.185 3.293 -4.965 1.00 1.09 H new ATOM 0 HG3 LYS A 18 10.383 1.777 -5.821 1.00 1.09 H new ATOM 0 HD2 LYS A 18 8.008 1.508 -6.107 1.00 1.04 H new ATOM 0 HD3 LYS A 18 7.649 2.773 -4.948 1.00 1.04 H new ATOM 0 HE2 LYS A 18 8.510 4.490 -6.418 1.00 1.44 H new ATOM 0 HE3 LYS A 18 9.205 3.303 -7.503 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 6.986 4.398 -8.117 1.00 1.90 H new ATOM 0 HZ2 LYS A 18 7.145 2.723 -8.343 1.00 1.90 H new ATOM 0 HZ3 LYS A 18 6.294 3.321 -7.001 1.00 1.90 H new ATOM 68 N LYS A 19 10.358 1.512 -0.783 1.00 0.60 N ATOM 69 CA LYS A 19 10.570 0.816 0.477 1.00 0.61 C ATOM 70 C LYS A 19 9.789 1.474 1.614 1.00 0.53 C ATOM 71 O LYS A 19 9.099 0.795 2.374 1.00 0.55 O ATOM 72 CB LYS A 19 12.063 0.754 0.820 1.00 0.77 C ATOM 73 CG LYS A 19 12.807 2.071 0.649 1.00 0.82 C ATOM 74 CD LYS A 19 14.171 2.036 1.325 1.00 1.19 C ATOM 75 CE LYS A 19 14.962 0.788 0.957 1.00 1.06 C ATOM 76 NZ LYS A 19 15.235 0.702 -0.502 1.00 1.49 N ATOM 0 H LYS A 19 11.199 1.932 -1.180 1.00 0.60 H new ATOM 0 HA LYS A 19 10.198 -0.202 0.358 1.00 0.61 H new ATOM 0 HB2 LYS A 19 12.172 0.422 1.852 1.00 0.77 H new ATOM 0 HB3 LYS A 19 12.536 0.000 0.191 1.00 0.77 H new ATOM 0 HG2 LYS A 19 12.932 2.284 -0.413 1.00 0.82 H new ATOM 0 HG3 LYS A 19 12.213 2.882 1.069 1.00 0.82 H new ATOM 0 HD2 LYS A 19 14.739 2.922 1.040 1.00 1.19 H new ATOM 0 HD3 LYS A 19 14.040 2.076 2.406 1.00 1.19 H new ATOM 0 HE2 LYS A 19 15.906 0.785 1.502 1.00 1.06 H new ATOM 0 HE3 LYS A 19 14.409 -0.096 1.274 1.00 1.06 H new ATOM 0 HZ1 LYS A 19 15.833 -0.127 -0.695 1.00 1.49 H new ATOM 0 HZ2 LYS A 19 14.337 0.609 -1.018 1.00 1.49 H new ATOM 0 HZ3 LYS A 19 15.727 1.564 -0.815 1.00 1.49 H new ATOM 90 N ARG A 20 9.874 2.797 1.698 1.00 0.54 N ATOM 91 CA ARG A 20 9.206 3.548 2.758 1.00 0.58 C ATOM 92 C ARG A 20 7.695 3.420 2.635 1.00 0.54 C ATOM 93 O ARG A 20 6.972 3.389 3.634 1.00 0.61 O ATOM 94 CB ARG A 20 9.607 5.021 2.696 1.00 0.70 C ATOM 95 CG ARG A 20 11.103 5.259 2.816 1.00 0.82 C ATOM 96 CD ARG A 20 11.442 6.723 2.600 1.00 1.01 C ATOM 97 NE ARG A 20 12.874 6.990 2.722 1.00 1.31 N ATOM 98 CZ ARG A 20 13.436 8.165 2.439 1.00 1.45 C ATOM 99 NH1 ARG A 20 12.691 9.158 1.964 1.00 1.32 N ATOM 100 NH2 ARG A 20 14.740 8.340 2.612 1.00 2.34 N ATOM 0 H ARG A 20 10.401 3.375 1.043 1.00 0.54 H new ATOM 0 HA ARG A 20 9.516 3.134 3.717 1.00 0.58 H new ATOM 0 HB2 ARG A 20 9.257 5.443 1.754 1.00 0.70 H new ATOM 0 HB3 ARG A 20 9.098 5.560 3.496 1.00 0.70 H new ATOM 0 HG2 ARG A 20 11.447 4.944 3.801 1.00 0.82 H new ATOM 0 HG3 ARG A 20 11.632 4.648 2.084 1.00 0.82 H new ATOM 0 HD2 ARG A 20 11.102 7.029 1.611 1.00 1.01 H new ATOM 0 HD3 ARG A 20 10.900 7.329 3.326 1.00 1.01 H new ATOM 0 HE ARG A 20 13.478 6.233 3.042 1.00 1.31 H new ATOM 0 HH11 ARG A 20 11.691 9.020 1.817 1.00 1.32 H new ATOM 0 HH12 ARG A 20 13.119 10.058 1.747 1.00 1.32 H new ATOM 0 HH21 ARG A 20 15.315 7.574 2.962 1.00 2.34 H new ATOM 0 HH22 ARG A 20 15.167 9.240 2.394 1.00 2.34 H new ATOM 114 N LEU A 21 7.231 3.355 1.395 1.00 0.54 N ATOM 115 CA LEU A 21 5.825 3.148 1.101 1.00 0.59 C ATOM 116 C LEU A 21 5.344 1.846 1.733 1.00 0.57 C ATOM 117 O LEU A 21 4.350 1.824 2.461 1.00 0.64 O ATOM 118 CB LEU A 21 5.618 3.119 -0.420 1.00 0.64 C ATOM 119 CG LEU A 21 4.253 2.627 -0.908 1.00 0.61 C ATOM 120 CD1 LEU A 21 3.132 3.467 -0.312 1.00 0.70 C ATOM 121 CD2 LEU A 21 4.191 2.669 -2.425 1.00 0.61 C ATOM 0 H LEU A 21 7.820 3.444 0.567 1.00 0.54 H new ATOM 0 HA LEU A 21 5.242 3.968 1.521 1.00 0.59 H new ATOM 0 HB2 LEU A 21 5.777 4.126 -0.806 1.00 0.64 H new ATOM 0 HB3 LEU A 21 6.388 2.484 -0.858 1.00 0.64 H new ATOM 0 HG LEU A 21 4.122 1.596 -0.578 1.00 0.61 H new ATOM 0 HD11 LEU A 21 2.171 3.100 -0.672 1.00 0.70 H new ATOM 0 HD12 LEU A 21 3.163 3.396 0.775 1.00 0.70 H new ATOM 0 HD13 LEU A 21 3.258 4.507 -0.612 1.00 0.70 H new ATOM 0 HD21 LEU A 21 3.215 2.317 -2.759 1.00 0.61 H new ATOM 0 HD22 LEU A 21 4.344 3.693 -2.767 1.00 0.61 H new ATOM 0 HD23 LEU A 21 4.969 2.028 -2.839 1.00 0.61 H new ATOM 133 N ALA A 22 6.075 0.770 1.468 1.00 0.56 N ATOM 134 CA ALA A 22 5.740 -0.536 2.011 1.00 0.63 C ATOM 135 C ALA A 22 5.848 -0.536 3.527 1.00 0.51 C ATOM 136 O ALA A 22 4.933 -0.977 4.217 1.00 0.44 O ATOM 137 CB ALA A 22 6.648 -1.601 1.424 1.00 0.83 C ATOM 0 H ALA A 22 6.907 0.779 0.878 1.00 0.56 H new ATOM 0 HA ALA A 22 4.709 -0.761 1.739 1.00 0.63 H new ATOM 0 HB1 ALA A 22 6.385 -2.573 1.840 1.00 0.83 H new ATOM 0 HB2 ALA A 22 6.527 -1.625 0.341 1.00 0.83 H new ATOM 0 HB3 ALA A 22 7.685 -1.370 1.669 1.00 0.83 H new ATOM 143 N TYR A 23 6.965 -0.021 4.031 1.00 0.62 N ATOM 144 CA TYR A 23 7.231 0.017 5.466 1.00 0.76 C ATOM 145 C TYR A 23 6.085 0.659 6.244 1.00 0.67 C ATOM 146 O TYR A 23 5.568 0.076 7.201 1.00 0.67 O ATOM 147 CB TYR A 23 8.533 0.776 5.739 1.00 1.11 C ATOM 148 CG TYR A 23 8.605 1.370 7.129 1.00 1.03 C ATOM 149 CD1 TYR A 23 8.693 0.560 8.251 1.00 1.86 C ATOM 150 CD2 TYR A 23 8.561 2.747 7.315 1.00 1.46 C ATOM 151 CE1 TYR A 23 8.731 1.102 9.518 1.00 2.48 C ATOM 152 CE2 TYR A 23 8.604 3.298 8.580 1.00 1.82 C ATOM 153 CZ TYR A 23 8.687 2.471 9.678 1.00 2.23 C ATOM 154 OH TYR A 23 8.727 3.012 10.944 1.00 2.99 O ATOM 0 H TYR A 23 7.709 0.380 3.460 1.00 0.62 H new ATOM 0 HA TYR A 23 7.327 -1.014 5.808 1.00 0.76 H new ATOM 0 HB2 TYR A 23 9.375 0.099 5.598 1.00 1.11 H new ATOM 0 HB3 TYR A 23 8.639 1.575 5.005 1.00 1.11 H new ATOM 0 HD1 TYR A 23 8.732 -0.513 8.130 1.00 1.86 H new ATOM 0 HD2 TYR A 23 8.492 3.397 6.455 1.00 1.46 H new ATOM 0 HE1 TYR A 23 8.795 0.457 10.382 1.00 2.48 H new ATOM 0 HE2 TYR A 23 8.573 4.370 8.708 1.00 1.82 H new ATOM 0 HH TYR A 23 8.688 3.989 10.883 1.00 2.99 H new ATOM 164 N ALA A 24 5.695 1.858 5.836 1.00 0.72 N ATOM 165 CA ALA A 24 4.668 2.602 6.547 1.00 0.87 C ATOM 166 C ALA A 24 3.335 1.867 6.516 1.00 0.75 C ATOM 167 O ALA A 24 2.582 1.887 7.490 1.00 0.84 O ATOM 168 CB ALA A 24 4.530 3.994 5.963 1.00 1.14 C ATOM 0 H ALA A 24 6.074 2.335 5.018 1.00 0.72 H new ATOM 0 HA ALA A 24 4.971 2.691 7.590 1.00 0.87 H new ATOM 0 HB1 ALA A 24 3.758 4.541 6.504 1.00 1.14 H new ATOM 0 HB2 ALA A 24 5.479 4.522 6.053 1.00 1.14 H new ATOM 0 HB3 ALA A 24 4.254 3.922 4.911 1.00 1.14 H new ATOM 174 N ILE A 25 3.055 1.215 5.398 1.00 0.62 N ATOM 175 CA ILE A 25 1.843 0.424 5.263 1.00 0.71 C ATOM 176 C ILE A 25 1.923 -0.827 6.142 1.00 0.61 C ATOM 177 O ILE A 25 0.942 -1.209 6.779 1.00 0.66 O ATOM 178 CB ILE A 25 1.585 0.052 3.781 1.00 0.80 C ATOM 179 CG1 ILE A 25 1.257 1.321 2.982 1.00 0.97 C ATOM 180 CG2 ILE A 25 0.462 -0.969 3.655 1.00 0.91 C ATOM 181 CD1 ILE A 25 0.975 1.079 1.512 1.00 0.89 C ATOM 0 H ILE A 25 3.652 1.218 4.571 1.00 0.62 H new ATOM 0 HA ILE A 25 1.000 1.025 5.602 1.00 0.71 H new ATOM 0 HB ILE A 25 2.488 -0.404 3.375 1.00 0.80 H new ATOM 0 HG12 ILE A 25 0.390 1.805 3.431 1.00 0.97 H new ATOM 0 HG13 ILE A 25 2.091 2.017 3.070 1.00 0.97 H new ATOM 0 HG21 ILE A 25 0.305 -1.209 2.603 1.00 0.91 H new ATOM 0 HG22 ILE A 25 0.731 -1.875 4.198 1.00 0.91 H new ATOM 0 HG23 ILE A 25 -0.455 -0.554 4.073 1.00 0.91 H new ATOM 0 HD11 ILE A 25 0.753 2.028 1.023 1.00 0.89 H new ATOM 0 HD12 ILE A 25 1.849 0.625 1.044 1.00 0.89 H new ATOM 0 HD13 ILE A 25 0.121 0.410 1.411 1.00 0.89 H new ATOM 193 N ILE A 26 3.108 -1.434 6.197 1.00 0.53 N ATOM 194 CA ILE A 26 3.358 -2.589 7.063 1.00 0.53 C ATOM 195 C ILE A 26 3.001 -2.275 8.515 1.00 0.51 C ATOM 196 O ILE A 26 2.182 -2.964 9.126 1.00 0.53 O ATOM 197 CB ILE A 26 4.842 -3.034 6.985 1.00 0.58 C ATOM 198 CG1 ILE A 26 5.130 -3.693 5.632 1.00 0.67 C ATOM 199 CG2 ILE A 26 5.207 -3.974 8.135 1.00 0.62 C ATOM 200 CD1 ILE A 26 6.567 -4.137 5.464 1.00 0.78 C ATOM 0 H ILE A 26 3.917 -1.143 5.648 1.00 0.53 H new ATOM 0 HA ILE A 26 2.724 -3.401 6.708 1.00 0.53 H new ATOM 0 HB ILE A 26 5.464 -2.144 7.080 1.00 0.58 H new ATOM 0 HG12 ILE A 26 4.476 -4.557 5.512 1.00 0.67 H new ATOM 0 HG13 ILE A 26 4.881 -2.991 4.836 1.00 0.67 H new ATOM 0 HG21 ILE A 26 6.254 -4.265 8.048 1.00 0.62 H new ATOM 0 HG22 ILE A 26 5.050 -3.464 9.086 1.00 0.62 H new ATOM 0 HG23 ILE A 26 4.578 -4.863 8.092 1.00 0.62 H new ATOM 0 HD11 ILE A 26 6.694 -4.594 4.483 1.00 0.78 H new ATOM 0 HD12 ILE A 26 7.227 -3.274 5.551 1.00 0.78 H new ATOM 0 HD13 ILE A 26 6.816 -4.863 6.237 1.00 0.78 H new ATOM 212 N GLN A 27 3.602 -1.220 9.052 1.00 0.54 N ATOM 213 CA GLN A 27 3.409 -0.853 10.451 1.00 0.62 C ATOM 214 C GLN A 27 1.960 -0.481 10.743 1.00 0.55 C ATOM 215 O GLN A 27 1.389 -0.923 11.743 1.00 0.57 O ATOM 216 CB GLN A 27 4.336 0.302 10.827 1.00 0.79 C ATOM 217 CG GLN A 27 5.803 -0.093 10.860 1.00 0.89 C ATOM 218 CD GLN A 27 6.095 -1.156 11.903 1.00 1.10 C ATOM 219 OE1 GLN A 27 5.440 -1.220 12.943 1.00 1.58 O ATOM 220 NE2 GLN A 27 7.074 -2.004 11.628 1.00 1.34 N ATOM 0 H GLN A 27 4.229 -0.601 8.538 1.00 0.54 H new ATOM 0 HA GLN A 27 3.655 -1.724 11.058 1.00 0.62 H new ATOM 0 HB2 GLN A 27 4.201 1.114 10.113 1.00 0.79 H new ATOM 0 HB3 GLN A 27 4.048 0.687 11.805 1.00 0.79 H new ATOM 0 HG2 GLN A 27 6.099 -0.461 9.878 1.00 0.89 H new ATOM 0 HG3 GLN A 27 6.409 0.789 11.066 1.00 0.89 H new ATOM 0 HE21 GLN A 27 7.593 -1.917 10.754 1.00 1.34 H new ATOM 0 HE22 GLN A 27 7.309 -2.744 12.290 1.00 1.34 H new ATOM 229 N PHE A 28 1.365 0.315 9.867 1.00 0.52 N ATOM 230 CA PHE A 28 -0.005 0.769 10.067 1.00 0.51 C ATOM 231 C PHE A 28 -0.981 -0.396 9.996 1.00 0.43 C ATOM 232 O PHE A 28 -1.858 -0.526 10.847 1.00 0.42 O ATOM 233 CB PHE A 28 -0.378 1.830 9.036 1.00 0.60 C ATOM 234 CG PHE A 28 -1.796 2.316 9.158 1.00 0.90 C ATOM 235 CD1 PHE A 28 -2.174 3.130 10.212 1.00 1.60 C ATOM 236 CD2 PHE A 28 -2.748 1.961 8.215 1.00 1.62 C ATOM 237 CE1 PHE A 28 -3.474 3.580 10.327 1.00 1.98 C ATOM 238 CE2 PHE A 28 -4.050 2.407 8.324 1.00 1.95 C ATOM 239 CZ PHE A 28 -4.414 3.218 9.381 1.00 1.83 C ATOM 0 H PHE A 28 1.806 0.659 9.014 1.00 0.52 H new ATOM 0 HA PHE A 28 -0.068 1.211 11.061 1.00 0.51 H new ATOM 0 HB2 PHE A 28 0.298 2.679 9.139 1.00 0.60 H new ATOM 0 HB3 PHE A 28 -0.227 1.422 8.036 1.00 0.60 H new ATOM 0 HD1 PHE A 28 -1.443 3.417 10.953 1.00 1.60 H new ATOM 0 HD2 PHE A 28 -2.468 1.328 7.386 1.00 1.62 H new ATOM 0 HE1 PHE A 28 -3.756 4.214 11.155 1.00 1.98 H new ATOM 0 HE2 PHE A 28 -4.783 2.122 7.584 1.00 1.95 H new ATOM 0 HZ PHE A 28 -5.432 3.569 9.468 1.00 1.83 H new ATOM 249 N LEU A 29 -0.823 -1.245 8.988 1.00 0.45 N ATOM 250 CA LEU A 29 -1.685 -2.409 8.835 1.00 0.45 C ATOM 251 C LEU A 29 -1.502 -3.366 10.006 1.00 0.45 C ATOM 252 O LEU A 29 -2.464 -3.968 10.473 1.00 0.48 O ATOM 253 CB LEU A 29 -1.410 -3.129 7.511 1.00 0.53 C ATOM 254 CG LEU A 29 -2.284 -2.699 6.323 1.00 0.59 C ATOM 255 CD1 LEU A 29 -2.207 -1.198 6.084 1.00 0.57 C ATOM 256 CD2 LEU A 29 -1.872 -3.459 5.073 1.00 0.70 C ATOM 0 H LEU A 29 -0.108 -1.149 8.267 1.00 0.45 H new ATOM 0 HA LEU A 29 -2.718 -2.062 8.824 1.00 0.45 H new ATOM 0 HB2 LEU A 29 -0.365 -2.973 7.244 1.00 0.53 H new ATOM 0 HB3 LEU A 29 -1.543 -4.200 7.667 1.00 0.53 H new ATOM 0 HG LEU A 29 -3.320 -2.939 6.563 1.00 0.59 H new ATOM 0 HD11 LEU A 29 -2.838 -0.932 5.236 1.00 0.57 H new ATOM 0 HD12 LEU A 29 -2.552 -0.670 6.973 1.00 0.57 H new ATOM 0 HD13 LEU A 29 -1.176 -0.916 5.872 1.00 0.57 H new ATOM 0 HD21 LEU A 29 -2.497 -3.148 4.236 1.00 0.70 H new ATOM 0 HD22 LEU A 29 -0.828 -3.246 4.845 1.00 0.70 H new ATOM 0 HD23 LEU A 29 -1.996 -4.529 5.240 1.00 0.70 H new ATOM 268 N HIS A 30 -0.267 -3.482 10.485 1.00 0.47 N ATOM 269 CA HIS A 30 0.042 -4.328 11.635 1.00 0.53 C ATOM 270 C HIS A 30 -0.796 -3.920 12.846 1.00 0.47 C ATOM 271 O HIS A 30 -1.447 -4.756 13.473 1.00 0.49 O ATOM 272 CB HIS A 30 1.536 -4.243 11.966 1.00 0.67 C ATOM 273 CG HIS A 30 1.953 -5.083 13.135 1.00 0.93 C ATOM 274 ND1 HIS A 30 2.337 -4.548 14.346 1.00 1.11 N ATOM 275 CD2 HIS A 30 2.052 -6.424 13.273 1.00 1.18 C ATOM 276 CE1 HIS A 30 2.653 -5.522 15.175 1.00 1.37 C ATOM 277 NE2 HIS A 30 2.487 -6.670 14.550 1.00 1.41 N ATOM 0 H HIS A 30 0.541 -2.998 10.093 1.00 0.47 H new ATOM 0 HA HIS A 30 -0.204 -5.359 11.382 1.00 0.53 H new ATOM 0 HB2 HIS A 30 2.109 -4.548 11.090 1.00 0.67 H new ATOM 0 HB3 HIS A 30 1.794 -3.204 12.169 1.00 0.67 H new ATOM 0 HD2 HIS A 30 1.830 -7.164 12.518 1.00 1.18 H new ATOM 0 HE1 HIS A 30 2.991 -5.400 16.194 1.00 1.37 H new ATOM 0 HE2 HIS A 30 2.655 -7.593 14.951 1.00 1.41 H new ATOM 286 N ASP A 31 -0.785 -2.631 13.167 1.00 0.48 N ATOM 287 CA ASP A 31 -1.570 -2.124 14.289 1.00 0.51 C ATOM 288 C ASP A 31 -3.055 -2.131 13.956 1.00 0.45 C ATOM 289 O ASP A 31 -3.892 -2.371 14.823 1.00 0.49 O ATOM 290 CB ASP A 31 -1.134 -0.711 14.680 1.00 0.63 C ATOM 291 CG ASP A 31 0.176 -0.694 15.437 1.00 1.24 C ATOM 292 OD1 ASP A 31 0.184 -1.060 16.630 1.00 1.79 O ATOM 293 OD2 ASP A 31 1.200 -0.301 14.848 1.00 1.98 O ATOM 0 H ASP A 31 -0.246 -1.922 12.671 1.00 0.48 H new ATOM 0 HA ASP A 31 -1.393 -2.786 15.136 1.00 0.51 H new ATOM 0 HB2 ASP A 31 -1.037 -0.103 13.781 1.00 0.63 H new ATOM 0 HB3 ASP A 31 -1.910 -0.252 15.293 1.00 0.63 H new ATOM 298 N GLN A 32 -3.373 -1.883 12.691 1.00 0.42 N ATOM 299 CA GLN A 32 -4.756 -1.863 12.230 1.00 0.43 C ATOM 300 C GLN A 32 -5.416 -3.220 12.458 1.00 0.38 C ATOM 301 O GLN A 32 -6.591 -3.297 12.816 1.00 0.43 O ATOM 302 CB GLN A 32 -4.808 -1.492 10.746 1.00 0.52 C ATOM 303 CG GLN A 32 -6.210 -1.226 10.221 1.00 0.57 C ATOM 304 CD GLN A 32 -6.211 -0.816 8.759 1.00 1.17 C ATOM 305 OE1 GLN A 32 -7.063 -0.047 8.317 1.00 1.92 O ATOM 306 NE2 GLN A 32 -5.266 -1.339 7.993 1.00 1.31 N ATOM 0 H GLN A 32 -2.686 -1.692 11.962 1.00 0.42 H new ATOM 0 HA GLN A 32 -5.303 -1.114 12.802 1.00 0.43 H new ATOM 0 HB2 GLN A 32 -4.196 -0.605 10.583 1.00 0.52 H new ATOM 0 HB3 GLN A 32 -4.361 -2.299 10.165 1.00 0.52 H new ATOM 0 HG2 GLN A 32 -6.818 -2.122 10.345 1.00 0.57 H new ATOM 0 HG3 GLN A 32 -6.675 -0.440 10.816 1.00 0.57 H new ATOM 0 HE21 GLN A 32 -4.576 -1.973 8.396 1.00 1.31 H new ATOM 0 HE22 GLN A 32 -5.228 -1.107 7.000 1.00 1.31 H new ATOM 315 N LEU A 33 -4.650 -4.285 12.257 1.00 0.36 N ATOM 316 CA LEU A 33 -5.143 -5.636 12.493 1.00 0.42 C ATOM 317 C LEU A 33 -5.404 -5.854 13.974 1.00 0.46 C ATOM 318 O LEU A 33 -6.435 -6.399 14.360 1.00 0.54 O ATOM 319 CB LEU A 33 -4.139 -6.673 11.984 1.00 0.53 C ATOM 320 CG LEU A 33 -3.804 -6.576 10.496 1.00 0.80 C ATOM 321 CD1 LEU A 33 -2.884 -7.711 10.082 1.00 1.22 C ATOM 322 CD2 LEU A 33 -5.074 -6.578 9.662 1.00 0.83 C ATOM 0 H LEU A 33 -3.685 -4.239 11.931 1.00 0.36 H new ATOM 0 HA LEU A 33 -6.079 -5.757 11.947 1.00 0.42 H new ATOM 0 HB2 LEU A 33 -3.216 -6.573 12.555 1.00 0.53 H new ATOM 0 HB3 LEU A 33 -4.534 -7.668 12.187 1.00 0.53 H new ATOM 0 HG LEU A 33 -3.283 -5.635 10.320 1.00 0.80 H new ATOM 0 HD11 LEU A 33 -2.656 -7.626 9.019 1.00 1.22 H new ATOM 0 HD12 LEU A 33 -1.959 -7.658 10.657 1.00 1.22 H new ATOM 0 HD13 LEU A 33 -3.375 -8.665 10.272 1.00 1.22 H new ATOM 0 HD21 LEU A 33 -4.816 -6.508 8.605 1.00 0.83 H new ATOM 0 HD22 LEU A 33 -5.625 -7.501 9.841 1.00 0.83 H new ATOM 0 HD23 LEU A 33 -5.694 -5.726 9.941 1.00 0.83 H new ATOM 334 N ARG A 34 -4.478 -5.392 14.799 1.00 0.47 N ATOM 335 CA ARG A 34 -4.592 -5.551 16.243 1.00 0.58 C ATOM 336 C ARG A 34 -5.728 -4.697 16.798 1.00 0.58 C ATOM 337 O ARG A 34 -6.320 -5.025 17.825 1.00 0.69 O ATOM 338 CB ARG A 34 -3.269 -5.186 16.921 1.00 0.69 C ATOM 339 CG ARG A 34 -2.103 -6.051 16.467 1.00 1.40 C ATOM 340 CD ARG A 34 -2.347 -7.518 16.781 1.00 1.45 C ATOM 341 NE ARG A 34 -1.314 -8.383 16.217 1.00 2.17 N ATOM 342 CZ ARG A 34 -1.431 -9.704 16.109 1.00 2.52 C ATOM 343 NH1 ARG A 34 -2.522 -10.317 16.555 1.00 2.19 N ATOM 344 NH2 ARG A 34 -0.454 -10.416 15.558 1.00 3.49 N ATOM 0 H ARG A 34 -3.637 -4.903 14.494 1.00 0.47 H new ATOM 0 HA ARG A 34 -4.820 -6.596 16.455 1.00 0.58 H new ATOM 0 HB2 ARG A 34 -3.039 -4.141 16.715 1.00 0.69 H new ATOM 0 HB3 ARG A 34 -3.384 -5.280 18.001 1.00 0.69 H new ATOM 0 HG2 ARG A 34 -1.952 -5.927 15.395 1.00 1.40 H new ATOM 0 HG3 ARG A 34 -1.188 -5.719 16.959 1.00 1.40 H new ATOM 0 HD2 ARG A 34 -2.383 -7.655 17.862 1.00 1.45 H new ATOM 0 HD3 ARG A 34 -3.320 -7.814 16.390 1.00 1.45 H new ATOM 0 HE ARG A 34 -0.452 -7.949 15.886 1.00 2.17 H new ATOM 0 HH11 ARG A 34 -3.273 -9.775 16.982 1.00 2.19 H new ATOM 0 HH12 ARG A 34 -2.608 -11.330 16.471 1.00 2.19 H new ATOM 0 HH21 ARG A 34 0.387 -9.950 15.217 1.00 3.49 H new ATOM 0 HH22 ARG A 34 -0.545 -11.429 15.476 1.00 3.49 H new ATOM 358 N HIS A 35 -6.038 -3.606 16.108 1.00 0.53 N ATOM 359 CA HIS A 35 -7.119 -2.722 16.529 1.00 0.58 C ATOM 360 C HIS A 35 -8.448 -3.147 15.914 1.00 0.58 C ATOM 361 O HIS A 35 -9.487 -2.549 16.183 1.00 0.74 O ATOM 362 CB HIS A 35 -6.821 -1.268 16.147 1.00 0.59 C ATOM 363 CG HIS A 35 -5.618 -0.695 16.829 1.00 1.15 C ATOM 364 ND1 HIS A 35 -4.804 0.252 16.249 1.00 1.98 N ATOM 365 CD2 HIS A 35 -5.098 -0.934 18.057 1.00 1.61 C ATOM 366 CE1 HIS A 35 -3.835 0.569 17.087 1.00 2.68 C ATOM 367 NE2 HIS A 35 -3.993 -0.136 18.191 1.00 2.42 N ATOM 0 H HIS A 35 -5.558 -3.312 15.257 1.00 0.53 H new ATOM 0 HA HIS A 35 -7.193 -2.796 17.614 1.00 0.58 H new ATOM 0 HB2 HIS A 35 -6.677 -1.208 15.068 1.00 0.59 H new ATOM 0 HB3 HIS A 35 -7.689 -0.654 16.387 1.00 0.59 H new ATOM 0 HD2 HIS A 35 -5.483 -1.625 18.793 1.00 1.61 H new ATOM 0 HE1 HIS A 35 -3.047 1.284 16.901 1.00 2.68 H new ATOM 0 HE2 HIS A 35 -3.389 -0.094 19.012 1.00 2.42 H new ATOM 376 N GLY A 36 -8.399 -4.182 15.081 1.00 0.49 N ATOM 377 CA GLY A 36 -9.600 -4.694 14.449 1.00 0.51 C ATOM 378 C GLY A 36 -10.200 -3.722 13.453 1.00 0.47 C ATOM 379 O GLY A 36 -11.418 -3.565 13.392 1.00 0.53 O ATOM 0 H GLY A 36 -7.543 -4.677 14.832 1.00 0.49 H new ATOM 0 HA2 GLY A 36 -9.367 -5.630 13.941 1.00 0.51 H new ATOM 0 HA3 GLY A 36 -10.339 -4.923 15.216 1.00 0.51 H new ATOM 383 N GLY A 37 -9.343 -3.065 12.676 1.00 0.41 N ATOM 384 CA GLY A 37 -9.811 -2.107 11.688 1.00 0.40 C ATOM 385 C GLY A 37 -10.615 -2.759 10.579 1.00 0.39 C ATOM 386 O GLY A 37 -11.587 -2.186 10.085 1.00 0.52 O ATOM 0 H GLY A 37 -8.330 -3.179 12.713 1.00 0.41 H new ATOM 0 HA2 GLY A 37 -10.424 -1.352 12.181 1.00 0.40 H new ATOM 0 HA3 GLY A 37 -8.955 -1.589 11.255 1.00 0.40 H new ATOM 390 N LEU A 38 -10.205 -3.956 10.184 1.00 0.36 N ATOM 391 CA LEU A 38 -10.914 -4.708 9.155 1.00 0.41 C ATOM 392 C LEU A 38 -11.633 -5.901 9.775 1.00 0.49 C ATOM 393 O LEU A 38 -11.539 -6.129 10.983 1.00 0.83 O ATOM 394 CB LEU A 38 -9.952 -5.195 8.056 1.00 0.44 C ATOM 395 CG LEU A 38 -9.476 -4.142 7.040 1.00 0.44 C ATOM 396 CD1 LEU A 38 -10.655 -3.491 6.336 1.00 0.51 C ATOM 397 CD2 LEU A 38 -8.606 -3.089 7.705 1.00 0.47 C ATOM 0 H LEU A 38 -9.384 -4.429 10.561 1.00 0.36 H new ATOM 0 HA LEU A 38 -11.646 -4.041 8.699 1.00 0.41 H new ATOM 0 HB2 LEU A 38 -9.074 -5.625 8.538 1.00 0.44 H new ATOM 0 HB3 LEU A 38 -10.441 -6.000 7.508 1.00 0.44 H new ATOM 0 HG LEU A 38 -8.872 -4.657 6.292 1.00 0.44 H new ATOM 0 HD11 LEU A 38 -10.290 -2.751 5.624 1.00 0.51 H new ATOM 0 HD12 LEU A 38 -11.228 -4.252 5.807 1.00 0.51 H new ATOM 0 HD13 LEU A 38 -11.293 -3.002 7.072 1.00 0.51 H new ATOM 0 HD21 LEU A 38 -8.285 -2.359 6.961 1.00 0.47 H new ATOM 0 HD22 LEU A 38 -9.177 -2.585 8.485 1.00 0.47 H new ATOM 0 HD23 LEU A 38 -7.731 -3.566 8.146 1.00 0.47 H new ATOM 409 N SER A 39 -12.350 -6.657 8.952 1.00 0.47 N ATOM 410 CA SER A 39 -13.053 -7.845 9.418 1.00 0.54 C ATOM 411 C SER A 39 -12.051 -8.982 9.666 1.00 0.48 C ATOM 412 O SER A 39 -10.852 -8.804 9.462 1.00 0.46 O ATOM 413 CB SER A 39 -14.113 -8.251 8.385 1.00 0.67 C ATOM 414 OG SER A 39 -15.015 -9.210 8.909 1.00 1.42 O ATOM 0 H SER A 39 -12.460 -6.467 7.956 1.00 0.47 H new ATOM 0 HA SER A 39 -13.557 -7.630 10.360 1.00 0.54 H new ATOM 0 HB2 SER A 39 -14.666 -7.368 8.065 1.00 0.67 H new ATOM 0 HB3 SER A 39 -13.622 -8.658 7.501 1.00 0.67 H new ATOM 0 HG SER A 39 -15.677 -9.444 8.225 1.00 1.42 H new ATOM 420 N SER A 40 -12.534 -10.143 10.098 1.00 0.60 N ATOM 421 CA SER A 40 -11.650 -11.242 10.490 1.00 0.61 C ATOM 422 C SER A 40 -10.818 -11.744 9.307 1.00 0.53 C ATOM 423 O SER A 40 -9.588 -11.724 9.353 1.00 0.50 O ATOM 424 CB SER A 40 -12.463 -12.391 11.089 1.00 0.77 C ATOM 425 OG SER A 40 -11.619 -13.380 11.656 1.00 1.63 O ATOM 0 H SER A 40 -13.529 -10.349 10.186 1.00 0.60 H new ATOM 0 HA SER A 40 -10.962 -10.860 11.244 1.00 0.61 H new ATOM 0 HB2 SER A 40 -13.136 -12.003 11.853 1.00 0.77 H new ATOM 0 HB3 SER A 40 -13.085 -12.841 10.315 1.00 0.77 H new ATOM 0 HG SER A 40 -12.166 -14.101 12.032 1.00 1.63 H new ATOM 431 N ASP A 41 -11.493 -12.179 8.247 1.00 0.57 N ATOM 432 CA ASP A 41 -10.810 -12.689 7.056 1.00 0.58 C ATOM 433 C ASP A 41 -9.950 -11.604 6.422 1.00 0.53 C ATOM 434 O ASP A 41 -8.841 -11.860 5.948 1.00 0.56 O ATOM 435 CB ASP A 41 -11.826 -13.208 6.038 1.00 0.71 C ATOM 436 CG ASP A 41 -11.188 -13.573 4.711 1.00 1.25 C ATOM 437 OD1 ASP A 41 -10.513 -14.619 4.633 1.00 1.69 O ATOM 438 OD2 ASP A 41 -11.365 -12.813 3.736 1.00 2.20 O ATOM 0 H ASP A 41 -12.511 -12.190 8.186 1.00 0.57 H new ATOM 0 HA ASP A 41 -10.164 -13.512 7.363 1.00 0.58 H new ATOM 0 HB2 ASP A 41 -12.330 -14.083 6.447 1.00 0.71 H new ATOM 0 HB3 ASP A 41 -12.590 -12.448 5.873 1.00 0.71 H new ATOM 443 N ALA A 42 -10.471 -10.388 6.432 1.00 0.51 N ATOM 444 CA ALA A 42 -9.755 -9.239 5.904 1.00 0.51 C ATOM 445 C ALA A 42 -8.488 -8.981 6.709 1.00 0.47 C ATOM 446 O ALA A 42 -7.446 -8.628 6.154 1.00 0.52 O ATOM 447 CB ALA A 42 -10.657 -8.019 5.926 1.00 0.54 C ATOM 0 H ALA A 42 -11.396 -10.171 6.804 1.00 0.51 H new ATOM 0 HA ALA A 42 -9.465 -9.447 4.874 1.00 0.51 H new ATOM 0 HB1 ALA A 42 -10.116 -7.160 5.529 1.00 0.54 H new ATOM 0 HB2 ALA A 42 -11.539 -8.207 5.313 1.00 0.54 H new ATOM 0 HB3 ALA A 42 -10.965 -7.812 6.951 1.00 0.54 H new ATOM 453 N GLN A 43 -8.593 -9.169 8.018 1.00 0.44 N ATOM 454 CA GLN A 43 -7.467 -9.008 8.923 1.00 0.45 C ATOM 455 C GLN A 43 -6.349 -9.974 8.550 1.00 0.45 C ATOM 456 O GLN A 43 -5.185 -9.587 8.437 1.00 0.48 O ATOM 457 CB GLN A 43 -7.918 -9.265 10.362 1.00 0.49 C ATOM 458 CG GLN A 43 -6.850 -9.003 11.409 1.00 0.82 C ATOM 459 CD GLN A 43 -7.323 -9.304 12.820 1.00 0.85 C ATOM 460 OE1 GLN A 43 -6.536 -9.703 13.678 1.00 1.56 O ATOM 461 NE2 GLN A 43 -8.611 -9.114 13.073 1.00 1.12 N ATOM 0 H GLN A 43 -9.462 -9.437 8.480 1.00 0.44 H new ATOM 0 HA GLN A 43 -7.092 -7.988 8.841 1.00 0.45 H new ATOM 0 HB2 GLN A 43 -8.782 -8.637 10.577 1.00 0.49 H new ATOM 0 HB3 GLN A 43 -8.247 -10.301 10.447 1.00 0.49 H new ATOM 0 HG2 GLN A 43 -5.973 -9.611 11.187 1.00 0.82 H new ATOM 0 HG3 GLN A 43 -6.538 -7.960 11.350 1.00 0.82 H new ATOM 0 HE21 GLN A 43 -9.232 -8.782 12.335 1.00 1.12 H new ATOM 0 HE22 GLN A 43 -8.980 -9.300 14.005 1.00 1.12 H new ATOM 470 N GLU A 44 -6.720 -11.230 8.347 1.00 0.49 N ATOM 471 CA GLU A 44 -5.761 -12.257 7.974 1.00 0.54 C ATOM 472 C GLU A 44 -5.131 -11.925 6.627 1.00 0.51 C ATOM 473 O GLU A 44 -3.924 -12.083 6.434 1.00 0.50 O ATOM 474 CB GLU A 44 -6.443 -13.622 7.902 1.00 0.68 C ATOM 475 CG GLU A 44 -7.216 -13.985 9.158 1.00 1.20 C ATOM 476 CD GLU A 44 -7.783 -15.384 9.103 1.00 1.65 C ATOM 477 OE1 GLU A 44 -8.724 -15.619 8.319 1.00 2.36 O ATOM 478 OE2 GLU A 44 -7.287 -16.263 9.838 1.00 2.20 O ATOM 0 H GLU A 44 -7.681 -11.562 8.435 1.00 0.49 H new ATOM 0 HA GLU A 44 -4.981 -12.292 8.734 1.00 0.54 H new ATOM 0 HB2 GLU A 44 -7.124 -13.634 7.051 1.00 0.68 H new ATOM 0 HB3 GLU A 44 -5.688 -14.386 7.717 1.00 0.68 H new ATOM 0 HG2 GLU A 44 -6.559 -13.896 10.023 1.00 1.20 H new ATOM 0 HG3 GLU A 44 -8.028 -13.272 9.300 1.00 1.20 H new ATOM 485 N SER A 45 -5.963 -11.444 5.708 1.00 0.54 N ATOM 486 CA SER A 45 -5.518 -11.095 4.366 1.00 0.59 C ATOM 487 C SER A 45 -4.466 -9.985 4.400 1.00 0.55 C ATOM 488 O SER A 45 -3.466 -10.053 3.686 1.00 0.58 O ATOM 489 CB SER A 45 -6.717 -10.670 3.515 1.00 0.71 C ATOM 490 OG SER A 45 -7.697 -11.695 3.464 1.00 1.04 O ATOM 0 H SER A 45 -6.957 -11.287 5.872 1.00 0.54 H new ATOM 0 HA SER A 45 -5.056 -11.975 3.919 1.00 0.59 H new ATOM 0 HB2 SER A 45 -7.157 -9.762 3.929 1.00 0.71 H new ATOM 0 HB3 SER A 45 -6.384 -10.431 2.505 1.00 0.71 H new ATOM 0 HG SER A 45 -8.081 -11.825 4.356 1.00 1.04 H new ATOM 496 N LEU A 46 -4.685 -8.971 5.238 1.00 0.56 N ATOM 497 CA LEU A 46 -3.718 -7.884 5.379 1.00 0.60 C ATOM 498 C LEU A 46 -2.376 -8.414 5.848 1.00 0.50 C ATOM 499 O LEU A 46 -1.337 -8.022 5.331 1.00 0.48 O ATOM 500 CB LEU A 46 -4.200 -6.825 6.372 1.00 0.74 C ATOM 501 CG LEU A 46 -5.337 -5.921 5.895 1.00 0.75 C ATOM 502 CD1 LEU A 46 -5.549 -4.760 6.853 1.00 1.28 C ATOM 503 CD2 LEU A 46 -5.063 -5.399 4.494 1.00 1.14 C ATOM 0 H LEU A 46 -5.515 -8.880 5.824 1.00 0.56 H new ATOM 0 HA LEU A 46 -3.613 -7.427 4.395 1.00 0.60 H new ATOM 0 HB2 LEU A 46 -4.523 -7.330 7.282 1.00 0.74 H new ATOM 0 HB3 LEU A 46 -3.352 -6.196 6.641 1.00 0.74 H new ATOM 0 HG LEU A 46 -6.247 -6.520 5.871 1.00 0.75 H new ATOM 0 HD11 LEU A 46 -6.363 -4.133 6.490 1.00 1.28 H new ATOM 0 HD12 LEU A 46 -5.800 -5.145 7.841 1.00 1.28 H new ATOM 0 HD13 LEU A 46 -4.636 -4.168 6.916 1.00 1.28 H new ATOM 0 HD21 LEU A 46 -5.886 -4.758 4.177 1.00 1.14 H new ATOM 0 HD22 LEU A 46 -4.136 -4.825 4.494 1.00 1.14 H new ATOM 0 HD23 LEU A 46 -4.970 -6.238 3.805 1.00 1.14 H new ATOM 515 N GLU A 47 -2.407 -9.311 6.823 1.00 0.49 N ATOM 516 CA GLU A 47 -1.186 -9.864 7.389 1.00 0.48 C ATOM 517 C GLU A 47 -0.377 -10.599 6.324 1.00 0.43 C ATOM 518 O GLU A 47 0.843 -10.454 6.253 1.00 0.45 O ATOM 519 CB GLU A 47 -1.519 -10.791 8.557 1.00 0.55 C ATOM 520 CG GLU A 47 -0.295 -11.403 9.213 1.00 0.81 C ATOM 521 CD GLU A 47 -0.641 -12.222 10.434 1.00 1.06 C ATOM 522 OE1 GLU A 47 -0.944 -13.422 10.283 1.00 1.51 O ATOM 523 OE2 GLU A 47 -0.603 -11.672 11.553 1.00 1.76 O ATOM 0 H GLU A 47 -3.266 -9.671 7.239 1.00 0.49 H new ATOM 0 HA GLU A 47 -0.575 -9.043 7.763 1.00 0.48 H new ATOM 0 HB2 GLU A 47 -2.081 -10.232 9.305 1.00 0.55 H new ATOM 0 HB3 GLU A 47 -2.169 -11.591 8.202 1.00 0.55 H new ATOM 0 HG2 GLU A 47 0.223 -12.034 8.491 1.00 0.81 H new ATOM 0 HG3 GLU A 47 0.397 -10.609 9.496 1.00 0.81 H new ATOM 530 N VAL A 48 -1.064 -11.364 5.482 1.00 0.41 N ATOM 531 CA VAL A 48 -0.406 -12.054 4.381 1.00 0.42 C ATOM 532 C VAL A 48 0.163 -11.036 3.398 1.00 0.41 C ATOM 533 O VAL A 48 1.279 -11.190 2.900 1.00 0.43 O ATOM 534 CB VAL A 48 -1.373 -13.001 3.636 1.00 0.46 C ATOM 535 CG1 VAL A 48 -0.641 -13.782 2.555 1.00 0.49 C ATOM 536 CG2 VAL A 48 -2.048 -13.953 4.606 1.00 0.49 C ATOM 0 H VAL A 48 -2.070 -11.521 5.541 1.00 0.41 H new ATOM 0 HA VAL A 48 0.398 -12.657 4.804 1.00 0.42 H new ATOM 0 HB VAL A 48 -2.140 -12.390 3.160 1.00 0.46 H new ATOM 0 HG11 VAL A 48 -1.343 -14.442 2.045 1.00 0.49 H new ATOM 0 HG12 VAL A 48 -0.207 -13.088 1.836 1.00 0.49 H new ATOM 0 HG13 VAL A 48 0.151 -14.377 3.009 1.00 0.49 H new ATOM 0 HG21 VAL A 48 -2.724 -14.610 4.059 1.00 0.49 H new ATOM 0 HG22 VAL A 48 -1.292 -14.552 5.114 1.00 0.49 H new ATOM 0 HG23 VAL A 48 -2.613 -13.382 5.342 1.00 0.49 H new ATOM 546 N ALA A 49 -0.609 -9.985 3.143 1.00 0.41 N ATOM 547 CA ALA A 49 -0.179 -8.909 2.260 1.00 0.43 C ATOM 548 C ALA A 49 1.072 -8.229 2.800 1.00 0.43 C ATOM 549 O ALA A 49 1.995 -7.929 2.046 1.00 0.48 O ATOM 550 CB ALA A 49 -1.291 -7.889 2.082 1.00 0.44 C ATOM 0 H ALA A 49 -1.540 -9.856 3.538 1.00 0.41 H new ATOM 0 HA ALA A 49 0.057 -9.345 1.290 1.00 0.43 H new ATOM 0 HB1 ALA A 49 -0.952 -7.093 1.419 1.00 0.44 H new ATOM 0 HB2 ALA A 49 -2.164 -8.375 1.647 1.00 0.44 H new ATOM 0 HB3 ALA A 49 -1.556 -7.466 3.051 1.00 0.44 H new ATOM 556 N ILE A 50 1.093 -7.999 4.111 1.00 0.40 N ATOM 557 CA ILE A 50 2.242 -7.397 4.778 1.00 0.40 C ATOM 558 C ILE A 50 3.512 -8.185 4.481 1.00 0.38 C ATOM 559 O ILE A 50 4.512 -7.623 4.034 1.00 0.41 O ATOM 560 CB ILE A 50 2.037 -7.334 6.310 1.00 0.43 C ATOM 561 CG1 ILE A 50 0.868 -6.409 6.660 1.00 0.53 C ATOM 562 CG2 ILE A 50 3.307 -6.867 7.005 1.00 0.47 C ATOM 563 CD1 ILE A 50 0.581 -6.326 8.144 1.00 0.61 C ATOM 0 H ILE A 50 0.319 -8.223 4.736 1.00 0.40 H new ATOM 0 HA ILE A 50 2.341 -6.382 4.392 1.00 0.40 H new ATOM 0 HB ILE A 50 1.802 -8.338 6.662 1.00 0.43 H new ATOM 0 HG12 ILE A 50 1.083 -5.409 6.284 1.00 0.53 H new ATOM 0 HG13 ILE A 50 -0.027 -6.758 6.145 1.00 0.53 H new ATOM 0 HG21 ILE A 50 3.140 -6.830 8.082 1.00 0.47 H new ATOM 0 HG22 ILE A 50 4.118 -7.562 6.787 1.00 0.47 H new ATOM 0 HG23 ILE A 50 3.574 -5.874 6.645 1.00 0.47 H new ATOM 0 HD11 ILE A 50 -0.259 -5.653 8.315 1.00 0.61 H new ATOM 0 HD12 ILE A 50 0.334 -7.318 8.523 1.00 0.61 H new ATOM 0 HD13 ILE A 50 1.461 -5.947 8.664 1.00 0.61 H new ATOM 575 N GLN A 51 3.451 -9.492 4.706 1.00 0.39 N ATOM 576 CA GLN A 51 4.604 -10.362 4.506 1.00 0.43 C ATOM 577 C GLN A 51 5.025 -10.366 3.041 1.00 0.43 C ATOM 578 O GLN A 51 6.216 -10.407 2.721 1.00 0.47 O ATOM 579 CB GLN A 51 4.283 -11.786 4.963 1.00 0.50 C ATOM 580 CG GLN A 51 3.715 -11.863 6.370 1.00 0.78 C ATOM 581 CD GLN A 51 4.566 -11.132 7.388 1.00 1.02 C ATOM 582 OE1 GLN A 51 4.367 -9.946 7.647 1.00 1.84 O ATOM 583 NE2 GLN A 51 5.516 -11.831 7.977 1.00 1.35 N ATOM 0 H GLN A 51 2.612 -9.974 5.028 1.00 0.39 H new ATOM 0 HA GLN A 51 5.430 -9.978 5.105 1.00 0.43 H new ATOM 0 HB2 GLN A 51 3.570 -12.229 4.268 1.00 0.50 H new ATOM 0 HB3 GLN A 51 5.191 -12.387 4.914 1.00 0.50 H new ATOM 0 HG2 GLN A 51 2.710 -11.442 6.374 1.00 0.78 H new ATOM 0 HG3 GLN A 51 3.624 -12.909 6.663 1.00 0.78 H new ATOM 0 HE21 GLN A 51 5.651 -12.813 7.736 1.00 1.35 H new ATOM 0 HE22 GLN A 51 6.116 -11.390 8.674 1.00 1.35 H new ATOM 592 N CYS A 52 4.043 -10.309 2.157 1.00 0.45 N ATOM 593 CA CYS A 52 4.304 -10.284 0.729 1.00 0.53 C ATOM 594 C CYS A 52 4.973 -8.973 0.321 1.00 0.53 C ATOM 595 O CYS A 52 5.970 -8.982 -0.393 1.00 0.60 O ATOM 596 CB CYS A 52 3.007 -10.485 -0.048 1.00 0.59 C ATOM 597 SG CYS A 52 2.209 -12.075 0.266 1.00 0.69 S ATOM 0 H CYS A 52 3.054 -10.279 2.405 1.00 0.45 H new ATOM 0 HA CYS A 52 4.986 -11.101 0.491 1.00 0.53 H new ATOM 0 HB2 CYS A 52 2.313 -9.684 0.207 1.00 0.59 H new ATOM 0 HB3 CYS A 52 3.216 -10.398 -1.114 1.00 0.59 H new ATOM 0 HG CYS A 52 1.647 -12.054 1.438 1.00 0.69 H new ATOM 603 N LEU A 53 4.431 -7.852 0.792 1.00 0.50 N ATOM 604 CA LEU A 53 5.002 -6.539 0.498 1.00 0.54 C ATOM 605 C LEU A 53 6.401 -6.426 1.091 1.00 0.51 C ATOM 606 O LEU A 53 7.314 -5.883 0.464 1.00 0.58 O ATOM 607 CB LEU A 53 4.110 -5.422 1.052 1.00 0.63 C ATOM 608 CG LEU A 53 2.707 -5.333 0.441 1.00 0.54 C ATOM 609 CD1 LEU A 53 1.874 -4.291 1.172 1.00 0.76 C ATOM 610 CD2 LEU A 53 2.787 -4.998 -1.041 1.00 0.61 C ATOM 0 H LEU A 53 3.597 -7.826 1.379 1.00 0.50 H new ATOM 0 HA LEU A 53 5.064 -6.430 -0.585 1.00 0.54 H new ATOM 0 HB2 LEU A 53 4.010 -5.561 2.129 1.00 0.63 H new ATOM 0 HB3 LEU A 53 4.615 -4.468 0.899 1.00 0.63 H new ATOM 0 HG LEU A 53 2.225 -6.305 0.550 1.00 0.54 H new ATOM 0 HD11 LEU A 53 0.881 -4.241 0.726 1.00 0.76 H new ATOM 0 HD12 LEU A 53 1.786 -4.567 2.223 1.00 0.76 H new ATOM 0 HD13 LEU A 53 2.357 -3.317 1.092 1.00 0.76 H new ATOM 0 HD21 LEU A 53 1.781 -4.939 -1.456 1.00 0.61 H new ATOM 0 HD22 LEU A 53 3.289 -4.039 -1.171 1.00 0.61 H new ATOM 0 HD23 LEU A 53 3.349 -5.775 -1.560 1.00 0.61 H new ATOM 622 N GLU A 54 6.558 -6.958 2.297 1.00 0.47 N ATOM 623 CA GLU A 54 7.843 -6.973 2.984 1.00 0.51 C ATOM 624 C GLU A 54 8.886 -7.707 2.145 1.00 0.56 C ATOM 625 O GLU A 54 9.963 -7.175 1.867 1.00 0.65 O ATOM 626 CB GLU A 54 7.683 -7.642 4.355 1.00 0.56 C ATOM 627 CG GLU A 54 8.952 -7.671 5.191 1.00 0.73 C ATOM 628 CD GLU A 54 8.728 -8.257 6.569 1.00 1.05 C ATOM 629 OE1 GLU A 54 8.372 -7.500 7.495 1.00 1.62 O ATOM 630 OE2 GLU A 54 8.917 -9.481 6.741 1.00 1.65 O ATOM 0 H GLU A 54 5.800 -7.390 2.825 1.00 0.47 H new ATOM 0 HA GLU A 54 8.185 -5.948 3.128 1.00 0.51 H new ATOM 0 HB2 GLU A 54 6.907 -7.118 4.913 1.00 0.56 H new ATOM 0 HB3 GLU A 54 7.335 -8.665 4.208 1.00 0.56 H new ATOM 0 HG2 GLU A 54 9.712 -8.255 4.671 1.00 0.73 H new ATOM 0 HG3 GLU A 54 9.341 -6.658 5.290 1.00 0.73 H new ATOM 637 N THR A 55 8.543 -8.913 1.715 1.00 0.61 N ATOM 638 CA THR A 55 9.438 -9.729 0.907 1.00 0.78 C ATOM 639 C THR A 55 9.639 -9.116 -0.482 1.00 0.83 C ATOM 640 O THR A 55 10.703 -9.251 -1.090 1.00 0.98 O ATOM 641 CB THR A 55 8.880 -11.161 0.765 1.00 0.95 C ATOM 642 OG1 THR A 55 8.540 -11.675 2.061 1.00 1.00 O ATOM 643 CG2 THR A 55 9.894 -12.085 0.107 1.00 1.16 C ATOM 0 H THR A 55 7.644 -9.351 1.914 1.00 0.61 H new ATOM 0 HA THR A 55 10.402 -9.767 1.414 1.00 0.78 H new ATOM 0 HB THR A 55 7.992 -11.119 0.134 1.00 0.95 H new ATOM 0 HG1 THR A 55 7.683 -11.296 2.349 1.00 1.00 H new ATOM 0 HG21 THR A 55 9.472 -13.086 0.021 1.00 1.16 H new ATOM 0 HG22 THR A 55 10.139 -11.708 -0.886 1.00 1.16 H new ATOM 0 HG23 THR A 55 10.799 -12.124 0.714 1.00 1.16 H new ATOM 651 N ALA A 56 8.612 -8.430 -0.969 1.00 0.77 N ATOM 652 CA ALA A 56 8.641 -7.827 -2.294 1.00 0.88 C ATOM 653 C ALA A 56 9.607 -6.650 -2.358 1.00 0.88 C ATOM 654 O ALA A 56 10.576 -6.671 -3.114 1.00 1.15 O ATOM 655 CB ALA A 56 7.251 -7.378 -2.696 1.00 0.90 C ATOM 0 H ALA A 56 7.742 -8.277 -0.460 1.00 0.77 H new ATOM 0 HA ALA A 56 8.993 -8.586 -2.993 1.00 0.88 H new ATOM 0 HB1 ALA A 56 7.287 -6.929 -3.689 1.00 0.90 H new ATOM 0 HB2 ALA A 56 6.581 -8.238 -2.710 1.00 0.90 H new ATOM 0 HB3 ALA A 56 6.884 -6.644 -1.979 1.00 0.90 H new ATOM 661 N PHE A 57 9.345 -5.627 -1.558 1.00 0.76 N ATOM 662 CA PHE A 57 10.157 -4.425 -1.573 1.00 1.05 C ATOM 663 C PHE A 57 11.511 -4.663 -0.911 1.00 1.56 C ATOM 664 O PHE A 57 12.427 -3.849 -1.031 1.00 2.05 O ATOM 665 CB PHE A 57 9.429 -3.291 -0.857 1.00 1.04 C ATOM 666 CG PHE A 57 8.220 -2.763 -1.582 1.00 0.93 C ATOM 667 CD1 PHE A 57 6.976 -3.352 -1.416 1.00 1.47 C ATOM 668 CD2 PHE A 57 8.323 -1.653 -2.404 1.00 1.50 C ATOM 669 CE1 PHE A 57 5.861 -2.842 -2.053 1.00 1.46 C ATOM 670 CE2 PHE A 57 7.211 -1.144 -3.050 1.00 1.50 C ATOM 671 CZ PHE A 57 5.979 -1.737 -2.871 1.00 0.92 C ATOM 0 H PHE A 57 8.574 -5.608 -0.890 1.00 0.76 H new ATOM 0 HA PHE A 57 10.327 -4.150 -2.614 1.00 1.05 H new ATOM 0 HB2 PHE A 57 9.121 -3.640 0.129 1.00 1.04 H new ATOM 0 HB3 PHE A 57 10.129 -2.470 -0.700 1.00 1.04 H new ATOM 0 HD1 PHE A 57 6.877 -4.220 -0.781 1.00 1.47 H new ATOM 0 HD2 PHE A 57 9.284 -1.179 -2.542 1.00 1.50 H new ATOM 0 HE1 PHE A 57 4.897 -3.308 -1.911 1.00 1.46 H new ATOM 0 HE2 PHE A 57 7.308 -0.283 -3.694 1.00 1.50 H new ATOM 0 HZ PHE A 57 5.108 -1.337 -3.370 1.00 0.92 H new ATOM 681 N GLY A 58 11.622 -5.789 -0.211 1.00 1.71 N ATOM 682 CA GLY A 58 12.851 -6.118 0.480 1.00 2.29 C ATOM 683 C GLY A 58 13.054 -5.247 1.695 1.00 2.05 C ATOM 684 O GLY A 58 14.178 -4.875 2.027 1.00 2.60 O ATOM 0 H GLY A 58 10.878 -6.480 -0.112 1.00 1.71 H new ATOM 0 HA2 GLY A 58 12.831 -7.165 0.781 1.00 2.29 H new ATOM 0 HA3 GLY A 58 13.695 -5.998 -0.200 1.00 2.29 H new ATOM 688 N VAL A 59 11.959 -4.924 2.363 1.00 1.35 N ATOM 689 CA VAL A 59 11.997 -4.010 3.491 1.00 1.13 C ATOM 690 C VAL A 59 11.921 -4.759 4.810 1.00 1.04 C ATOM 691 O VAL A 59 11.374 -5.855 4.883 1.00 1.22 O ATOM 692 CB VAL A 59 10.856 -2.973 3.424 1.00 0.93 C ATOM 693 CG1 VAL A 59 11.037 -2.074 2.221 1.00 1.23 C ATOM 694 CG2 VAL A 59 9.495 -3.647 3.368 1.00 1.00 C ATOM 0 H VAL A 59 11.030 -5.283 2.142 1.00 1.35 H new ATOM 0 HA VAL A 59 12.950 -3.484 3.434 1.00 1.13 H new ATOM 0 HB VAL A 59 10.898 -2.373 4.333 1.00 0.93 H new ATOM 0 HG11 VAL A 59 10.226 -1.347 2.185 1.00 1.23 H new ATOM 0 HG12 VAL A 59 11.990 -1.551 2.298 1.00 1.23 H new ATOM 0 HG13 VAL A 59 11.026 -2.676 1.312 1.00 1.23 H new ATOM 0 HG21 VAL A 59 8.715 -2.888 3.322 1.00 1.00 H new ATOM 0 HG22 VAL A 59 9.439 -4.280 2.482 1.00 1.00 H new ATOM 0 HG23 VAL A 59 9.354 -4.258 4.260 1.00 1.00 H new ATOM 704 N THR A 60 12.491 -4.163 5.840 1.00 1.18 N ATOM 705 CA THR A 60 12.470 -4.739 7.170 1.00 1.30 C ATOM 706 C THR A 60 12.232 -3.646 8.201 1.00 1.16 C ATOM 707 O THR A 60 11.912 -2.510 7.841 1.00 1.15 O ATOM 708 CB THR A 60 13.796 -5.458 7.490 1.00 1.94 C ATOM 709 OG1 THR A 60 14.900 -4.579 7.233 1.00 2.24 O ATOM 710 CG2 THR A 60 13.950 -6.729 6.669 1.00 2.38 C ATOM 0 H THR A 60 12.980 -3.270 5.779 1.00 1.18 H new ATOM 0 HA THR A 60 11.662 -5.470 7.206 1.00 1.30 H new ATOM 0 HB THR A 60 13.784 -5.735 8.544 1.00 1.94 H new ATOM 0 HG1 THR A 60 15.740 -5.040 7.439 1.00 2.24 H new ATOM 0 HG21 THR A 60 14.895 -7.211 6.919 1.00 2.38 H new ATOM 0 HG22 THR A 60 13.126 -7.408 6.891 1.00 2.38 H new ATOM 0 HG23 THR A 60 13.939 -6.480 5.608 1.00 2.38 H new ATOM 718 N VAL A 61 12.397 -3.966 9.474 1.00 1.41 N ATOM 719 CA VAL A 61 12.286 -2.964 10.526 1.00 1.59 C ATOM 720 C VAL A 61 13.434 -1.944 10.417 1.00 1.83 C ATOM 721 O VAL A 61 13.391 -0.861 11.002 1.00 2.11 O ATOM 722 CB VAL A 61 12.263 -3.626 11.923 1.00 1.81 C ATOM 723 CG1 VAL A 61 13.558 -4.378 12.193 1.00 2.21 C ATOM 724 CG2 VAL A 61 11.989 -2.599 13.014 1.00 1.95 C ATOM 0 H VAL A 61 12.608 -4.908 9.805 1.00 1.41 H new ATOM 0 HA VAL A 61 11.342 -2.434 10.396 1.00 1.59 H new ATOM 0 HB VAL A 61 11.447 -4.349 11.935 1.00 1.81 H new ATOM 0 HG11 VAL A 61 13.515 -4.834 13.182 1.00 2.21 H new ATOM 0 HG12 VAL A 61 13.691 -5.156 11.441 1.00 2.21 H new ATOM 0 HG13 VAL A 61 14.397 -3.684 12.150 1.00 2.21 H new ATOM 0 HG21 VAL A 61 11.979 -3.094 13.985 1.00 1.95 H new ATOM 0 HG22 VAL A 61 12.770 -1.839 13.002 1.00 1.95 H new ATOM 0 HG23 VAL A 61 11.022 -2.129 12.836 1.00 1.95 H new ATOM 734 N GLU A 62 14.442 -2.278 9.617 1.00 1.89 N ATOM 735 CA GLU A 62 15.536 -1.355 9.344 1.00 2.16 C ATOM 736 C GLU A 62 15.020 -0.125 8.604 1.00 1.64 C ATOM 737 O GLU A 62 15.618 0.954 8.657 1.00 1.65 O ATOM 738 CB GLU A 62 16.627 -2.046 8.527 1.00 2.87 C ATOM 739 CG GLU A 62 17.257 -3.223 9.247 1.00 3.13 C ATOM 740 CD GLU A 62 17.769 -2.846 10.620 1.00 3.57 C ATOM 741 OE1 GLU A 62 18.861 -2.247 10.707 1.00 4.01 O ATOM 742 OE2 GLU A 62 17.080 -3.142 11.617 1.00 3.98 O ATOM 0 H GLU A 62 14.523 -3.180 9.147 1.00 1.89 H new ATOM 0 HA GLU A 62 15.964 -1.036 10.294 1.00 2.16 H new ATOM 0 HB2 GLU A 62 16.203 -2.390 7.584 1.00 2.87 H new ATOM 0 HB3 GLU A 62 17.403 -1.321 8.282 1.00 2.87 H new ATOM 0 HG2 GLU A 62 16.523 -4.024 9.342 1.00 3.13 H new ATOM 0 HG3 GLU A 62 18.080 -3.614 8.649 1.00 3.13 H new ATOM 749 N ASP A 63 13.888 -0.285 7.932 1.00 1.38 N ATOM 750 CA ASP A 63 13.256 0.825 7.236 1.00 1.61 C ATOM 751 C ASP A 63 12.632 1.773 8.258 1.00 1.60 C ATOM 752 O ASP A 63 12.376 2.939 7.973 1.00 1.95 O ATOM 753 CB ASP A 63 12.195 0.312 6.262 1.00 1.89 C ATOM 754 CG ASP A 63 12.083 1.178 5.022 1.00 2.88 C ATOM 755 OD1 ASP A 63 11.303 2.148 5.032 1.00 3.62 O ATOM 756 OD2 ASP A 63 12.788 0.878 4.033 1.00 3.35 O ATOM 0 H ASP A 63 13.390 -1.172 7.855 1.00 1.38 H new ATOM 0 HA ASP A 63 14.009 1.364 6.661 1.00 1.61 H new ATOM 0 HB2 ASP A 63 12.438 -0.709 5.968 1.00 1.89 H new ATOM 0 HB3 ASP A 63 11.229 0.277 6.766 1.00 1.89 H new ATOM 761 N SER A 64 12.421 1.261 9.470 1.00 1.54 N ATOM 762 CA SER A 64 11.913 2.070 10.567 1.00 1.81 C ATOM 763 C SER A 64 13.035 2.938 11.121 1.00 1.74 C ATOM 764 O SER A 64 12.799 4.012 11.669 1.00 1.93 O ATOM 765 CB SER A 64 11.336 1.182 11.673 1.00 2.41 C ATOM 766 OG SER A 64 10.593 1.945 12.610 1.00 2.91 O ATOM 0 H SER A 64 12.596 0.286 9.713 1.00 1.54 H new ATOM 0 HA SER A 64 11.113 2.709 10.193 1.00 1.81 H new ATOM 0 HB2 SER A 64 10.695 0.419 11.232 1.00 2.41 H new ATOM 0 HB3 SER A 64 12.146 0.662 12.185 1.00 2.41 H new ATOM 0 HG SER A 64 9.872 2.420 12.147 1.00 2.91 H new ATOM 772 N ASP A 65 14.263 2.457 10.974 1.00 1.69 N ATOM 773 CA ASP A 65 15.435 3.244 11.345 1.00 2.03 C ATOM 774 C ASP A 65 15.515 4.499 10.481 1.00 1.90 C ATOM 775 O ASP A 65 15.859 5.580 10.960 1.00 2.28 O ATOM 776 CB ASP A 65 16.714 2.417 11.191 1.00 2.26 C ATOM 777 CG ASP A 65 17.963 3.199 11.547 1.00 2.89 C ATOM 778 OD1 ASP A 65 18.320 3.248 12.743 1.00 3.35 O ATOM 779 OD2 ASP A 65 18.610 3.754 10.632 1.00 3.46 O ATOM 0 H ASP A 65 14.474 1.531 10.603 1.00 1.69 H new ATOM 0 HA ASP A 65 15.338 3.536 12.391 1.00 2.03 H new ATOM 0 HB2 ASP A 65 16.650 1.534 11.827 1.00 2.26 H new ATOM 0 HB3 ASP A 65 16.792 2.064 10.163 1.00 2.26 H new ATOM 784 N LEU A 66 15.169 4.349 9.207 1.00 1.52 N ATOM 785 CA LEU A 66 15.175 5.473 8.271 1.00 1.61 C ATOM 786 C LEU A 66 13.766 6.042 8.073 1.00 1.45 C ATOM 787 O LEU A 66 13.504 6.748 7.096 1.00 1.72 O ATOM 788 CB LEU A 66 15.786 5.039 6.928 1.00 1.77 C ATOM 789 CG LEU A 66 15.125 3.833 6.244 1.00 1.59 C ATOM 790 CD1 LEU A 66 14.000 4.271 5.319 1.00 1.87 C ATOM 791 CD2 LEU A 66 16.157 3.024 5.474 1.00 1.57 C ATOM 0 H LEU A 66 14.880 3.461 8.797 1.00 1.52 H new ATOM 0 HA LEU A 66 15.790 6.267 8.695 1.00 1.61 H new ATOM 0 HB2 LEU A 66 15.747 5.886 6.243 1.00 1.77 H new ATOM 0 HB3 LEU A 66 16.839 4.808 7.089 1.00 1.77 H new ATOM 0 HG LEU A 66 14.695 3.203 7.023 1.00 1.59 H new ATOM 0 HD11 LEU A 66 13.552 3.395 4.850 1.00 1.87 H new ATOM 0 HD12 LEU A 66 13.242 4.802 5.894 1.00 1.87 H new ATOM 0 HD13 LEU A 66 14.399 4.931 4.548 1.00 1.87 H new ATOM 0 HD21 LEU A 66 15.670 2.174 4.996 1.00 1.57 H new ATOM 0 HD22 LEU A 66 16.618 3.653 4.713 1.00 1.57 H new ATOM 0 HD23 LEU A 66 16.923 2.664 6.161 1.00 1.57 H new ATOM 803 N ALA A 67 12.877 5.756 9.021 1.00 1.30 N ATOM 804 CA ALA A 67 11.476 6.165 8.932 1.00 1.26 C ATOM 805 C ALA A 67 11.324 7.670 8.744 1.00 1.27 C ATOM 806 O ALA A 67 12.090 8.464 9.294 1.00 1.53 O ATOM 807 CB ALA A 67 10.728 5.733 10.178 1.00 1.48 C ATOM 0 H ALA A 67 13.105 5.237 9.869 1.00 1.30 H new ATOM 0 HA ALA A 67 11.054 5.676 8.054 1.00 1.26 H new ATOM 0 HB1 ALA A 67 9.686 6.042 10.102 1.00 1.48 H new ATOM 0 HB2 ALA A 67 10.779 4.649 10.275 1.00 1.48 H new ATOM 0 HB3 ALA A 67 11.181 6.197 11.054 1.00 1.48 H new ATOM 813 N LEU A 68 10.321 8.049 7.964 1.00 1.15 N ATOM 814 CA LEU A 68 10.011 9.450 7.726 1.00 1.28 C ATOM 815 C LEU A 68 9.318 10.047 8.948 1.00 1.55 C ATOM 816 O LEU A 68 8.771 9.301 9.761 1.00 1.55 O ATOM 817 CB LEU A 68 9.120 9.587 6.485 1.00 1.24 C ATOM 818 CG LEU A 68 9.763 9.148 5.169 1.00 1.18 C ATOM 819 CD1 LEU A 68 8.749 9.206 4.038 1.00 1.20 C ATOM 820 CD2 LEU A 68 10.967 10.021 4.847 1.00 1.18 C ATOM 0 H LEU A 68 9.703 7.397 7.481 1.00 1.15 H new ATOM 0 HA LEU A 68 10.939 9.995 7.551 1.00 1.28 H new ATOM 0 HB2 LEU A 68 8.214 9.001 6.641 1.00 1.24 H new ATOM 0 HB3 LEU A 68 8.813 10.629 6.391 1.00 1.24 H new ATOM 0 HG LEU A 68 10.103 8.118 5.278 1.00 1.18 H new ATOM 0 HD11 LEU A 68 9.223 8.891 3.108 1.00 1.20 H new ATOM 0 HD12 LEU A 68 7.914 8.542 4.263 1.00 1.20 H new ATOM 0 HD13 LEU A 68 8.382 10.227 3.930 1.00 1.20 H new ATOM 0 HD21 LEU A 68 11.412 9.694 3.907 1.00 1.18 H new ATOM 0 HD22 LEU A 68 10.649 11.060 4.756 1.00 1.18 H new ATOM 0 HD23 LEU A 68 11.703 9.935 5.646 1.00 1.18 H new ATOM 832 N PRO A 69 9.341 11.387 9.104 1.00 1.93 N ATOM 833 CA PRO A 69 8.758 12.071 10.270 1.00 2.35 C ATOM 834 C PRO A 69 7.374 11.543 10.650 1.00 2.24 C ATOM 835 O PRO A 69 7.103 11.263 11.821 1.00 2.61 O ATOM 836 CB PRO A 69 8.666 13.521 9.805 1.00 2.74 C ATOM 837 CG PRO A 69 9.806 13.675 8.860 1.00 2.56 C ATOM 838 CD PRO A 69 9.948 12.349 8.161 1.00 2.06 C ATOM 0 HA PRO A 69 9.360 11.922 11.167 1.00 2.35 H new ATOM 0 HB2 PRO A 69 7.713 13.722 9.316 1.00 2.74 H new ATOM 0 HB3 PRO A 69 8.747 14.214 10.643 1.00 2.74 H new ATOM 0 HG2 PRO A 69 9.614 14.475 8.144 1.00 2.56 H new ATOM 0 HG3 PRO A 69 10.721 13.936 9.392 1.00 2.56 H new ATOM 0 HD2 PRO A 69 9.433 12.346 7.200 1.00 2.06 H new ATOM 0 HD3 PRO A 69 10.993 12.111 7.964 1.00 2.06 H new ATOM 846 N GLN A 70 6.508 11.395 9.660 1.00 1.83 N ATOM 847 CA GLN A 70 5.169 10.879 9.892 1.00 1.81 C ATOM 848 C GLN A 70 4.945 9.630 9.056 1.00 1.42 C ATOM 849 O GLN A 70 5.632 9.411 8.057 1.00 1.30 O ATOM 850 CB GLN A 70 4.118 11.936 9.547 1.00 1.92 C ATOM 851 CG GLN A 70 4.007 12.254 8.064 1.00 1.65 C ATOM 852 CD GLN A 70 3.217 13.521 7.813 1.00 2.17 C ATOM 853 OE1 GLN A 70 1.995 13.493 7.667 1.00 2.65 O ATOM 854 NE2 GLN A 70 3.912 14.645 7.753 1.00 2.75 N ATOM 0 H GLN A 70 6.709 11.625 8.687 1.00 1.83 H new ATOM 0 HA GLN A 70 5.071 10.626 10.948 1.00 1.81 H new ATOM 0 HB2 GLN A 70 3.147 11.595 9.906 1.00 1.92 H new ATOM 0 HB3 GLN A 70 4.353 12.854 10.086 1.00 1.92 H new ATOM 0 HG2 GLN A 70 5.006 12.360 7.640 1.00 1.65 H new ATOM 0 HG3 GLN A 70 3.529 11.421 7.549 1.00 1.65 H new ATOM 0 HE21 GLN A 70 4.924 14.626 7.879 1.00 2.75 H new ATOM 0 HE22 GLN A 70 3.436 15.530 7.580 1.00 2.75 H new ATOM 863 N THR A 71 3.999 8.811 9.474 1.00 1.36 N ATOM 864 CA THR A 71 3.638 7.631 8.719 1.00 1.13 C ATOM 865 C THR A 71 2.808 8.016 7.500 1.00 0.86 C ATOM 866 O THR A 71 1.952 8.902 7.559 1.00 0.83 O ATOM 867 CB THR A 71 2.856 6.636 9.591 1.00 1.23 C ATOM 868 OG1 THR A 71 2.065 7.345 10.555 1.00 1.53 O ATOM 869 CG2 THR A 71 3.798 5.675 10.299 1.00 1.55 C ATOM 0 H THR A 71 3.467 8.943 10.334 1.00 1.36 H new ATOM 0 HA THR A 71 4.558 7.149 8.388 1.00 1.13 H new ATOM 0 HB THR A 71 2.200 6.056 8.942 1.00 1.23 H new ATOM 0 HG1 THR A 71 1.568 6.704 11.106 1.00 1.53 H new ATOM 0 HG21 THR A 71 3.219 4.982 10.909 1.00 1.55 H new ATOM 0 HG22 THR A 71 4.371 5.116 9.559 1.00 1.55 H new ATOM 0 HG23 THR A 71 4.480 6.238 10.937 1.00 1.55 H new ATOM 877 N LEU A 72 3.082 7.335 6.396 1.00 0.80 N ATOM 878 CA LEU A 72 2.455 7.640 5.117 1.00 0.65 C ATOM 879 C LEU A 72 0.948 7.377 5.108 1.00 0.65 C ATOM 880 O LEU A 72 0.216 8.179 4.552 1.00 0.66 O ATOM 881 CB LEU A 72 3.137 6.878 3.977 1.00 0.78 C ATOM 882 CG LEU A 72 4.513 7.406 3.553 1.00 0.97 C ATOM 883 CD1 LEU A 72 4.485 8.920 3.416 1.00 1.47 C ATOM 884 CD2 LEU A 72 5.591 6.974 4.532 1.00 1.79 C ATOM 0 H LEU A 72 3.742 6.558 6.361 1.00 0.80 H new ATOM 0 HA LEU A 72 2.588 8.711 4.961 1.00 0.65 H new ATOM 0 HB2 LEU A 72 3.245 5.835 4.275 1.00 0.78 H new ATOM 0 HB3 LEU A 72 2.479 6.895 3.109 1.00 0.78 H new ATOM 0 HG LEU A 72 4.754 6.976 2.581 1.00 0.97 H new ATOM 0 HD11 LEU A 72 5.470 9.276 3.115 1.00 1.47 H new ATOM 0 HD12 LEU A 72 3.750 9.204 2.662 1.00 1.47 H new ATOM 0 HD13 LEU A 72 4.215 9.367 4.373 1.00 1.47 H new ATOM 0 HD21 LEU A 72 6.556 7.363 4.206 1.00 1.79 H new ATOM 0 HD22 LEU A 72 5.359 7.363 5.523 1.00 1.79 H new ATOM 0 HD23 LEU A 72 5.633 5.885 4.570 1.00 1.79 H new ATOM 896 N PRO A 73 0.451 6.256 5.681 1.00 0.75 N ATOM 897 CA PRO A 73 -0.996 5.992 5.773 1.00 0.84 C ATOM 898 C PRO A 73 -1.818 7.191 6.253 1.00 0.80 C ATOM 899 O PRO A 73 -2.947 7.386 5.803 1.00 0.82 O ATOM 900 CB PRO A 73 -1.067 4.852 6.779 1.00 1.03 C ATOM 901 CG PRO A 73 0.185 4.093 6.538 1.00 1.07 C ATOM 902 CD PRO A 73 1.231 5.124 6.222 1.00 0.84 C ATOM 0 HA PRO A 73 -1.422 5.764 4.796 1.00 0.84 H new ATOM 0 HB2 PRO A 73 -1.120 5.224 7.802 1.00 1.03 H new ATOM 0 HB3 PRO A 73 -1.949 4.231 6.620 1.00 1.03 H new ATOM 0 HG2 PRO A 73 0.464 3.509 7.415 1.00 1.07 H new ATOM 0 HG3 PRO A 73 0.065 3.391 5.713 1.00 1.07 H new ATOM 0 HD2 PRO A 73 1.791 5.412 7.111 1.00 0.84 H new ATOM 0 HD3 PRO A 73 1.954 4.752 5.496 1.00 0.84 H new ATOM 910 N GLU A 74 -1.257 7.999 7.149 1.00 0.78 N ATOM 911 CA GLU A 74 -1.946 9.199 7.614 1.00 0.78 C ATOM 912 C GLU A 74 -2.027 10.221 6.483 1.00 0.64 C ATOM 913 O GLU A 74 -3.079 10.820 6.244 1.00 0.64 O ATOM 914 CB GLU A 74 -1.237 9.803 8.826 1.00 0.87 C ATOM 915 CG GLU A 74 -1.999 10.961 9.446 1.00 1.22 C ATOM 916 CD GLU A 74 -1.284 11.569 10.630 1.00 1.48 C ATOM 917 OE1 GLU A 74 -1.380 11.011 11.742 1.00 2.28 O ATOM 918 OE2 GLU A 74 -0.627 12.615 10.458 1.00 1.67 O ATOM 0 H GLU A 74 -0.337 7.847 7.564 1.00 0.78 H new ATOM 0 HA GLU A 74 -2.955 8.922 7.919 1.00 0.78 H new ATOM 0 HB2 GLU A 74 -1.091 9.028 9.578 1.00 0.87 H new ATOM 0 HB3 GLU A 74 -0.247 10.146 8.526 1.00 0.87 H new ATOM 0 HG2 GLU A 74 -2.159 11.730 8.690 1.00 1.22 H new ATOM 0 HG3 GLU A 74 -2.983 10.614 9.761 1.00 1.22 H new ATOM 925 N ILE A 75 -0.910 10.404 5.783 1.00 0.58 N ATOM 926 CA ILE A 75 -0.881 11.232 4.581 1.00 0.53 C ATOM 927 C ILE A 75 -1.865 10.685 3.557 1.00 0.49 C ATOM 928 O ILE A 75 -2.563 11.435 2.877 1.00 0.53 O ATOM 929 CB ILE A 75 0.530 11.267 3.948 1.00 0.60 C ATOM 930 CG1 ILE A 75 1.520 11.943 4.896 1.00 0.73 C ATOM 931 CG2 ILE A 75 0.506 11.974 2.597 1.00 0.68 C ATOM 932 CD1 ILE A 75 2.915 12.073 4.326 1.00 1.38 C ATOM 0 H ILE A 75 -0.011 9.989 6.029 1.00 0.58 H new ATOM 0 HA ILE A 75 -1.157 12.246 4.871 1.00 0.53 H new ATOM 0 HB ILE A 75 0.856 10.240 3.781 1.00 0.60 H new ATOM 0 HG12 ILE A 75 1.147 12.935 5.150 1.00 0.73 H new ATOM 0 HG13 ILE A 75 1.568 11.373 5.824 1.00 0.73 H new ATOM 0 HG21 ILE A 75 1.511 11.985 2.174 1.00 0.68 H new ATOM 0 HG22 ILE A 75 -0.167 11.445 1.922 1.00 0.68 H new ATOM 0 HG23 ILE A 75 0.157 12.998 2.728 1.00 0.68 H new ATOM 0 HD11 ILE A 75 3.562 12.562 5.055 1.00 1.38 H new ATOM 0 HD12 ILE A 75 3.309 11.082 4.098 1.00 1.38 H new ATOM 0 HD13 ILE A 75 2.881 12.669 3.414 1.00 1.38 H new ATOM 944 N PHE A 76 -1.924 9.365 3.475 1.00 0.50 N ATOM 945 CA PHE A 76 -2.827 8.699 2.554 1.00 0.56 C ATOM 946 C PHE A 76 -4.270 9.036 2.897 1.00 0.60 C ATOM 947 O PHE A 76 -5.116 9.130 2.020 1.00 0.72 O ATOM 948 CB PHE A 76 -2.631 7.178 2.580 1.00 0.65 C ATOM 949 CG PHE A 76 -1.256 6.710 2.184 1.00 2.05 C ATOM 950 CD1 PHE A 76 -0.318 7.588 1.660 1.00 2.12 C ATOM 951 CD2 PHE A 76 -0.902 5.379 2.341 1.00 2.34 C ATOM 952 CE1 PHE A 76 0.940 7.147 1.301 1.00 2.24 C ATOM 953 CE2 PHE A 76 0.354 4.934 1.983 1.00 2.34 C ATOM 954 CZ PHE A 76 1.276 5.819 1.464 1.00 2.36 C ATOM 0 H PHE A 76 -1.354 8.733 4.038 1.00 0.50 H new ATOM 0 HA PHE A 76 -2.599 9.056 1.549 1.00 0.56 H new ATOM 0 HB2 PHE A 76 -2.847 6.815 3.585 1.00 0.65 H new ATOM 0 HB3 PHE A 76 -3.361 6.721 1.912 1.00 0.65 H new ATOM 0 HD1 PHE A 76 -0.575 8.629 1.531 1.00 2.12 H new ATOM 0 HD2 PHE A 76 -1.619 4.681 2.749 1.00 2.34 H new ATOM 0 HE1 PHE A 76 1.660 7.841 0.893 1.00 2.24 H new ATOM 0 HE2 PHE A 76 0.615 3.894 2.109 1.00 2.34 H new ATOM 0 HZ PHE A 76 2.260 5.472 1.185 1.00 2.36 H new ATOM 964 N GLU A 77 -4.552 9.232 4.177 1.00 0.63 N ATOM 965 CA GLU A 77 -5.898 9.580 4.607 1.00 0.73 C ATOM 966 C GLU A 77 -6.211 11.044 4.314 1.00 0.69 C ATOM 967 O GLU A 77 -7.368 11.457 4.340 1.00 0.80 O ATOM 968 CB GLU A 77 -6.094 9.258 6.087 1.00 0.90 C ATOM 969 CG GLU A 77 -6.079 7.764 6.369 1.00 1.56 C ATOM 970 CD GLU A 77 -6.451 7.425 7.794 1.00 1.94 C ATOM 971 OE1 GLU A 77 -7.215 8.191 8.412 1.00 2.41 O ATOM 972 OE2 GLU A 77 -6.003 6.372 8.294 1.00 2.52 O ATOM 0 H GLU A 77 -3.871 9.156 4.932 1.00 0.63 H new ATOM 0 HA GLU A 77 -6.601 8.974 4.035 1.00 0.73 H new ATOM 0 HB2 GLU A 77 -5.308 9.741 6.667 1.00 0.90 H new ATOM 0 HB3 GLU A 77 -7.042 9.678 6.424 1.00 0.90 H new ATOM 0 HG2 GLU A 77 -6.772 7.266 5.691 1.00 1.56 H new ATOM 0 HG3 GLU A 77 -5.085 7.370 6.156 1.00 1.56 H new ATOM 979 N ALA A 78 -5.179 11.821 4.027 1.00 0.61 N ATOM 980 CA ALA A 78 -5.362 13.203 3.605 1.00 0.62 C ATOM 981 C ALA A 78 -5.482 13.294 2.082 1.00 0.60 C ATOM 982 O ALA A 78 -6.220 14.123 1.555 1.00 0.65 O ATOM 983 CB ALA A 78 -4.210 14.066 4.098 1.00 0.64 C ATOM 0 H ALA A 78 -4.206 11.520 4.078 1.00 0.61 H new ATOM 0 HA ALA A 78 -6.288 13.574 4.044 1.00 0.62 H new ATOM 0 HB1 ALA A 78 -4.362 15.096 3.774 1.00 0.64 H new ATOM 0 HB2 ALA A 78 -4.169 14.030 5.187 1.00 0.64 H new ATOM 0 HB3 ALA A 78 -3.273 13.691 3.687 1.00 0.64 H new ATOM 989 N ALA A 79 -4.754 12.431 1.383 1.00 0.65 N ATOM 990 CA ALA A 79 -4.713 12.463 -0.077 1.00 0.75 C ATOM 991 C ALA A 79 -5.754 11.534 -0.708 1.00 0.86 C ATOM 992 O ALA A 79 -6.542 11.955 -1.554 1.00 0.99 O ATOM 993 CB ALA A 79 -3.318 12.095 -0.560 1.00 0.83 C ATOM 0 H ALA A 79 -4.182 11.698 1.803 1.00 0.65 H new ATOM 0 HA ALA A 79 -4.957 13.478 -0.392 1.00 0.75 H new ATOM 0 HB1 ALA A 79 -3.292 12.120 -1.649 1.00 0.83 H new ATOM 0 HB2 ALA A 79 -2.596 12.808 -0.163 1.00 0.83 H new ATOM 0 HB3 ALA A 79 -3.066 11.093 -0.214 1.00 0.83 H new ATOM 999 N ALA A 80 -5.766 10.277 -0.275 1.00 0.91 N ATOM 1000 CA ALA A 80 -6.600 9.246 -0.894 1.00 1.12 C ATOM 1001 C ALA A 80 -8.084 9.445 -0.584 1.00 1.27 C ATOM 1002 O ALA A 80 -8.942 8.777 -1.162 1.00 1.56 O ATOM 1003 CB ALA A 80 -6.134 7.859 -0.462 1.00 1.25 C ATOM 0 H ALA A 80 -5.204 9.944 0.508 1.00 0.91 H new ATOM 0 HA ALA A 80 -6.487 9.335 -1.974 1.00 1.12 H new ATOM 0 HB1 ALA A 80 -6.763 7.102 -0.930 1.00 1.25 H new ATOM 0 HB2 ALA A 80 -5.099 7.711 -0.769 1.00 1.25 H new ATOM 0 HB3 ALA A 80 -6.207 7.772 0.622 1.00 1.25 H new ATOM 1009 N THR A 81 -8.386 10.360 0.327 1.00 1.23 N ATOM 1010 CA THR A 81 -9.768 10.719 0.613 1.00 1.46 C ATOM 1011 C THR A 81 -10.345 11.569 -0.516 1.00 1.63 C ATOM 1012 O THR A 81 -11.562 11.677 -0.669 1.00 1.89 O ATOM 1013 CB THR A 81 -9.878 11.487 1.940 1.00 1.60 C ATOM 1014 OG1 THR A 81 -8.683 12.252 2.151 1.00 2.33 O ATOM 1015 CG2 THR A 81 -10.099 10.537 3.108 1.00 1.65 C ATOM 0 H THR A 81 -7.694 10.866 0.880 1.00 1.23 H new ATOM 0 HA THR A 81 -10.338 9.794 0.696 1.00 1.46 H new ATOM 0 HB THR A 81 -10.737 12.155 1.882 1.00 1.60 H new ATOM 0 HG1 THR A 81 -8.142 11.828 2.849 1.00 2.33 H new ATOM 0 HG21 THR A 81 -10.173 11.109 4.033 1.00 1.65 H new ATOM 0 HG22 THR A 81 -11.021 9.978 2.952 1.00 1.65 H new ATOM 0 HG23 THR A 81 -9.261 9.843 3.176 1.00 1.65 H new ATOM 1023 N GLY A 82 -9.459 12.151 -1.312 1.00 1.69 N ATOM 1024 CA GLY A 82 -9.880 12.983 -2.416 1.00 2.14 C ATOM 1025 C GLY A 82 -9.045 14.239 -2.525 1.00 2.00 C ATOM 1026 O GLY A 82 -9.138 15.125 -1.673 1.00 2.59 O ATOM 0 H GLY A 82 -8.448 12.059 -1.210 1.00 1.69 H new ATOM 0 HA2 GLY A 82 -9.808 12.417 -3.345 1.00 2.14 H new ATOM 0 HA3 GLY A 82 -10.928 13.254 -2.288 1.00 2.14 H new ATOM 1030 N LYS A 83 -8.213 14.311 -3.553 1.00 1.89 N ATOM 1031 CA LYS A 83 -7.389 15.485 -3.780 1.00 2.11 C ATOM 1032 C LYS A 83 -8.108 16.413 -4.752 1.00 2.84 C ATOM 1033 O LYS A 83 -7.907 16.266 -5.974 1.00 3.20 O ATOM 1034 CB LYS A 83 -6.012 15.085 -4.335 1.00 2.31 C ATOM 1035 CG LYS A 83 -4.873 16.019 -3.927 1.00 2.78 C ATOM 1036 CD LYS A 83 -5.076 17.447 -4.421 1.00 3.44 C ATOM 1037 CE LYS A 83 -4.844 17.580 -5.922 1.00 3.93 C ATOM 1038 NZ LYS A 83 -3.405 17.444 -6.277 1.00 4.41 N ATOM 1039 OXT LYS A 83 -8.887 17.271 -4.287 1.00 3.62 O ATOM 0 H LYS A 83 -8.092 13.569 -4.243 1.00 1.89 H new ATOM 0 HA LYS A 83 -7.228 16.001 -2.834 1.00 2.11 H new ATOM 0 HB2 LYS A 83 -5.777 14.076 -3.998 1.00 2.31 H new ATOM 0 HB3 LYS A 83 -6.067 15.053 -5.423 1.00 2.31 H new ATOM 0 HG2 LYS A 83 -4.785 16.024 -2.841 1.00 2.78 H new ATOM 0 HG3 LYS A 83 -3.933 15.633 -4.322 1.00 2.78 H new ATOM 0 HD2 LYS A 83 -6.089 17.771 -4.182 1.00 3.44 H new ATOM 0 HD3 LYS A 83 -4.395 18.113 -3.890 1.00 3.44 H new ATOM 0 HE2 LYS A 83 -5.421 16.818 -6.447 1.00 3.93 H new ATOM 0 HE3 LYS A 83 -5.211 18.548 -6.261 1.00 3.93 H new ATOM 0 HZ1 LYS A 83 -3.264 17.723 -7.269 1.00 4.41 H new ATOM 0 HZ2 LYS A 83 -2.836 18.058 -5.660 1.00 4.41 H new ATOM 0 HZ3 LYS A 83 -3.108 16.455 -6.150 1.00 4.41 H new TER 1053 LYS A 83 ATOM 1054 N MET B 15 -16.431 9.461 2.834 1.00 2.24 N ATOM 1055 CA MET B 15 -15.806 8.597 1.805 1.00 1.67 C ATOM 1056 C MET B 15 -14.551 7.939 2.359 1.00 1.40 C ATOM 1057 O MET B 15 -13.575 8.618 2.679 1.00 1.55 O ATOM 1058 CB MET B 15 -15.449 9.409 0.555 1.00 1.81 C ATOM 1059 CG MET B 15 -16.641 10.079 -0.106 1.00 2.21 C ATOM 1060 SD MET B 15 -16.192 10.987 -1.597 1.00 3.03 S ATOM 1061 CE MET B 15 -17.784 11.657 -2.073 1.00 3.68 C ATOM 0 HA MET B 15 -16.526 7.827 1.530 1.00 1.67 H new ATOM 0 HB2 MET B 15 -14.720 10.173 0.826 1.00 1.81 H new ATOM 0 HB3 MET B 15 -14.968 8.751 -0.168 1.00 1.81 H new ATOM 0 HG2 MET B 15 -17.385 9.323 -0.357 1.00 2.21 H new ATOM 0 HG3 MET B 15 -17.108 10.762 0.603 1.00 2.21 H new ATOM 0 HE1 MET B 15 -17.673 12.247 -2.983 1.00 3.68 H new ATOM 0 HE2 MET B 15 -18.483 10.840 -2.253 1.00 3.68 H new ATOM 0 HE3 MET B 15 -18.165 12.292 -1.273 1.00 3.68 H new ATOM 1073 N ASP B 16 -14.580 6.618 2.476 1.00 1.24 N ATOM 1074 CA ASP B 16 -13.439 5.870 2.991 1.00 1.13 C ATOM 1075 C ASP B 16 -12.310 5.859 1.978 1.00 0.91 C ATOM 1076 O ASP B 16 -12.509 5.503 0.817 1.00 1.01 O ATOM 1077 CB ASP B 16 -13.827 4.428 3.326 1.00 1.39 C ATOM 1078 CG ASP B 16 -14.760 4.328 4.514 1.00 1.84 C ATOM 1079 OD1 ASP B 16 -15.978 4.546 4.340 1.00 2.27 O ATOM 1080 OD2 ASP B 16 -14.283 4.025 5.625 1.00 2.42 O ATOM 0 H ASP B 16 -15.382 6.041 2.221 1.00 1.24 H new ATOM 0 HA ASP B 16 -13.107 6.366 3.903 1.00 1.13 H new ATOM 0 HB2 ASP B 16 -14.304 3.975 2.457 1.00 1.39 H new ATOM 0 HB3 ASP B 16 -12.924 3.853 3.530 1.00 1.39 H new ATOM 1085 N ASN B 17 -11.127 6.250 2.417 1.00 0.78 N ATOM 1086 CA ASN B 17 -9.965 6.264 1.540 1.00 0.75 C ATOM 1087 C ASN B 17 -9.314 4.893 1.507 1.00 0.62 C ATOM 1088 O ASN B 17 -8.481 4.619 0.653 1.00 0.65 O ATOM 1089 CB ASN B 17 -8.930 7.291 2.002 1.00 0.93 C ATOM 1090 CG ASN B 17 -8.127 6.823 3.205 1.00 1.57 C ATOM 1091 OD1 ASN B 17 -8.652 6.197 4.123 1.00 2.52 O ATOM 1092 ND2 ASN B 17 -6.836 7.098 3.192 1.00 1.71 N ATOM 0 H ASN B 17 -10.944 6.561 3.371 1.00 0.78 H new ATOM 0 HA ASN B 17 -10.312 6.536 0.543 1.00 0.75 H new ATOM 0 HB2 ASN B 17 -8.249 7.508 1.179 1.00 0.93 H new ATOM 0 HB3 ASN B 17 -9.437 8.223 2.251 1.00 0.93 H new ATOM 0 HD21 ASN B 17 -6.241 6.788 3.960 1.00 1.71 H new ATOM 0 HD22 ASN B 17 -6.434 7.620 2.414 1.00 1.71 H new ATOM 1099 N LYS B 18 -9.700 4.048 2.453 1.00 0.59 N ATOM 1100 CA LYS B 18 -9.087 2.738 2.624 1.00 0.62 C ATOM 1101 C LYS B 18 -9.201 1.910 1.347 1.00 0.54 C ATOM 1102 O LYS B 18 -8.213 1.351 0.870 1.00 0.48 O ATOM 1103 CB LYS B 18 -9.749 2.011 3.797 1.00 0.82 C ATOM 1104 CG LYS B 18 -9.755 2.820 5.087 1.00 1.09 C ATOM 1105 CD LYS B 18 -8.362 2.964 5.683 1.00 1.04 C ATOM 1106 CE LYS B 18 -8.337 4.040 6.761 1.00 1.43 C ATOM 1107 NZ LYS B 18 -7.077 4.021 7.551 1.00 1.89 N ATOM 0 H LYS B 18 -10.444 4.250 3.121 1.00 0.59 H new ATOM 0 HA LYS B 18 -8.027 2.873 2.838 1.00 0.62 H new ATOM 0 HB2 LYS B 18 -10.776 1.763 3.528 1.00 0.82 H new ATOM 0 HB3 LYS B 18 -9.229 1.069 3.971 1.00 0.82 H new ATOM 0 HG2 LYS B 18 -10.168 3.809 4.891 1.00 1.09 H new ATOM 0 HG3 LYS B 18 -10.411 2.338 5.813 1.00 1.09 H new ATOM 0 HD2 LYS B 18 -8.044 2.012 6.108 1.00 1.04 H new ATOM 0 HD3 LYS B 18 -7.650 3.216 4.897 1.00 1.04 H new ATOM 0 HE2 LYS B 18 -8.457 5.019 6.297 1.00 1.43 H new ATOM 0 HE3 LYS B 18 -9.185 3.899 7.431 1.00 1.43 H new ATOM 0 HZ1 LYS B 18 -7.295 3.817 8.547 1.00 1.89 H new ATOM 0 HZ2 LYS B 18 -6.444 3.285 7.178 1.00 1.89 H new ATOM 0 HZ3 LYS B 18 -6.610 4.947 7.481 1.00 1.89 H new ATOM 1121 N LYS B 19 -10.404 1.854 0.790 1.00 0.61 N ATOM 1122 CA LYS B 19 -10.638 1.112 -0.440 1.00 0.61 C ATOM 1123 C LYS B 19 -9.840 1.696 -1.605 1.00 0.53 C ATOM 1124 O LYS B 19 -9.172 0.963 -2.336 1.00 0.55 O ATOM 1125 CB LYS B 19 -12.133 1.077 -0.780 1.00 0.77 C ATOM 1126 CG LYS B 19 -12.838 2.421 -0.665 1.00 0.82 C ATOM 1127 CD LYS B 19 -14.206 2.398 -1.337 1.00 1.20 C ATOM 1128 CE LYS B 19 -15.033 1.190 -0.914 1.00 1.06 C ATOM 1129 NZ LYS B 19 -15.306 1.176 0.548 1.00 1.49 N ATOM 0 H LYS B 19 -11.231 2.313 1.171 1.00 0.61 H new ATOM 0 HA LYS B 19 -10.295 0.090 -0.277 1.00 0.61 H new ATOM 0 HB2 LYS B 19 -12.253 0.704 -1.797 1.00 0.77 H new ATOM 0 HB3 LYS B 19 -12.626 0.364 -0.119 1.00 0.77 H new ATOM 0 HG2 LYS B 19 -12.953 2.683 0.387 1.00 0.82 H new ATOM 0 HG3 LYS B 19 -12.221 3.196 -1.121 1.00 0.82 H new ATOM 0 HD2 LYS B 19 -14.747 3.311 -1.089 1.00 1.20 H new ATOM 0 HD3 LYS B 19 -14.077 2.388 -2.419 1.00 1.20 H new ATOM 0 HE2 LYS B 19 -15.978 1.191 -1.458 1.00 1.06 H new ATOM 0 HE3 LYS B 19 -14.506 0.277 -1.192 1.00 1.06 H new ATOM 0 HZ1 LYS B 19 -15.885 0.345 0.785 1.00 1.49 H new ATOM 0 HZ2 LYS B 19 -14.407 1.131 1.069 1.00 1.49 H new ATOM 0 HZ3 LYS B 19 -15.817 2.042 0.814 1.00 1.49 H new ATOM 1143 N ARG B 20 -9.885 3.016 -1.746 1.00 0.55 N ATOM 1144 CA ARG B 20 -9.197 3.700 -2.838 1.00 0.59 C ATOM 1145 C ARG B 20 -7.690 3.533 -2.710 1.00 0.55 C ATOM 1146 O ARG B 20 -6.970 3.442 -3.708 1.00 0.61 O ATOM 1147 CB ARG B 20 -9.555 5.186 -2.837 1.00 0.70 C ATOM 1148 CG ARG B 20 -11.044 5.461 -2.967 1.00 0.82 C ATOM 1149 CD ARG B 20 -11.339 6.943 -2.815 1.00 1.01 C ATOM 1150 NE ARG B 20 -12.764 7.247 -2.950 1.00 1.31 N ATOM 1151 CZ ARG B 20 -13.288 8.449 -2.714 1.00 1.46 C ATOM 1152 NH1 ARG B 20 -12.515 9.440 -2.282 1.00 1.33 N ATOM 1153 NH2 ARG B 20 -14.587 8.659 -2.898 1.00 2.34 N ATOM 0 H ARG B 20 -10.392 3.637 -1.116 1.00 0.55 H new ATOM 0 HA ARG B 20 -9.519 3.254 -3.779 1.00 0.59 H new ATOM 0 HB2 ARG B 20 -9.192 5.637 -1.913 1.00 0.70 H new ATOM 0 HB3 ARG B 20 -9.032 5.676 -3.658 1.00 0.70 H new ATOM 0 HG2 ARG B 20 -11.398 5.114 -3.938 1.00 0.82 H new ATOM 0 HG3 ARG B 20 -11.589 4.898 -2.209 1.00 0.82 H new ATOM 0 HD2 ARG B 20 -10.989 7.282 -1.840 1.00 1.01 H new ATOM 0 HD3 ARG B 20 -10.779 7.501 -3.566 1.00 1.01 H new ATOM 0 HE ARG B 20 -13.391 6.497 -3.241 1.00 1.31 H new ATOM 0 HH11 ARG B 20 -11.519 9.281 -2.131 1.00 1.33 H new ATOM 0 HH12 ARG B 20 -12.918 10.360 -2.102 1.00 1.33 H new ATOM 0 HH21 ARG B 20 -15.186 7.899 -3.221 1.00 2.34 H new ATOM 0 HH22 ARG B 20 -14.985 9.580 -2.716 1.00 2.34 H new ATOM 1167 N LEU B 21 -7.225 3.507 -1.469 1.00 0.54 N ATOM 1168 CA LEU B 21 -5.826 3.271 -1.167 1.00 0.58 C ATOM 1169 C LEU B 21 -5.386 1.930 -1.743 1.00 0.57 C ATOM 1170 O LEU B 21 -4.395 1.847 -2.470 1.00 0.64 O ATOM 1171 CB LEU B 21 -5.618 3.302 0.354 1.00 0.64 C ATOM 1172 CG LEU B 21 -4.266 2.793 0.862 1.00 0.60 C ATOM 1173 CD1 LEU B 21 -3.123 3.573 0.229 1.00 0.70 C ATOM 1174 CD2 LEU B 21 -4.202 2.900 2.378 1.00 0.61 C ATOM 0 H LEU B 21 -7.809 3.649 -0.645 1.00 0.54 H new ATOM 0 HA LEU B 21 -5.219 4.054 -1.621 1.00 0.58 H new ATOM 0 HB2 LEU B 21 -5.748 4.328 0.697 1.00 0.64 H new ATOM 0 HB3 LEU B 21 -6.405 2.708 0.820 1.00 0.64 H new ATOM 0 HG LEU B 21 -4.163 1.746 0.577 1.00 0.60 H new ATOM 0 HD11 LEU B 21 -2.172 3.194 0.604 1.00 0.70 H new ATOM 0 HD12 LEU B 21 -3.158 3.455 -0.854 1.00 0.70 H new ATOM 0 HD13 LEU B 21 -3.219 4.629 0.483 1.00 0.70 H new ATOM 0 HD21 LEU B 21 -3.236 2.535 2.728 1.00 0.61 H new ATOM 0 HD22 LEU B 21 -4.326 3.941 2.675 1.00 0.61 H new ATOM 0 HD23 LEU B 21 -4.998 2.300 2.819 1.00 0.61 H new ATOM 1186 N ALA B 22 -6.148 0.890 -1.431 1.00 0.55 N ATOM 1187 CA ALA B 22 -5.853 -0.447 -1.917 1.00 0.63 C ATOM 1188 C ALA B 22 -5.965 -0.509 -3.432 1.00 0.51 C ATOM 1189 O ALA B 22 -5.065 -1.005 -4.104 1.00 0.44 O ATOM 1190 CB ALA B 22 -6.790 -1.458 -1.282 1.00 0.83 C ATOM 0 H ALA B 22 -6.978 0.950 -0.841 1.00 0.55 H new ATOM 0 HA ALA B 22 -4.828 -0.692 -1.638 1.00 0.63 H new ATOM 0 HB1 ALA B 22 -6.557 -2.455 -1.656 1.00 0.83 H new ATOM 0 HB2 ALA B 22 -6.667 -1.438 -0.199 1.00 0.83 H new ATOM 0 HB3 ALA B 22 -7.820 -1.208 -1.534 1.00 0.83 H new ATOM 1196 N TYR B 23 -7.067 0.016 -3.956 1.00 0.62 N ATOM 1197 CA TYR B 23 -7.334 0.000 -5.390 1.00 0.75 C ATOM 1198 C TYR B 23 -6.172 0.574 -6.195 1.00 0.66 C ATOM 1199 O TYR B 23 -5.675 -0.064 -7.128 1.00 0.66 O ATOM 1200 CB TYR B 23 -8.615 0.783 -5.697 1.00 1.10 C ATOM 1201 CG TYR B 23 -8.671 1.318 -7.111 1.00 1.02 C ATOM 1202 CD1 TYR B 23 -8.784 0.462 -8.197 1.00 1.86 C ATOM 1203 CD2 TYR B 23 -8.586 2.684 -7.355 1.00 1.46 C ATOM 1204 CE1 TYR B 23 -8.808 0.950 -9.486 1.00 2.48 C ATOM 1205 CE2 TYR B 23 -8.614 3.179 -8.643 1.00 1.83 C ATOM 1206 CZ TYR B 23 -8.724 2.309 -9.704 1.00 2.22 C ATOM 1207 OH TYR B 23 -8.747 2.797 -10.992 1.00 2.99 O ATOM 0 H TYR B 23 -7.798 0.463 -3.402 1.00 0.62 H new ATOM 0 HA TYR B 23 -7.460 -1.041 -5.686 1.00 0.75 H new ATOM 0 HB2 TYR B 23 -9.476 0.137 -5.527 1.00 1.10 H new ATOM 0 HB3 TYR B 23 -8.699 1.615 -4.998 1.00 1.10 H new ATOM 0 HD1 TYR B 23 -8.854 -0.603 -8.030 1.00 1.86 H new ATOM 0 HD2 TYR B 23 -8.497 3.368 -6.524 1.00 1.46 H new ATOM 0 HE1 TYR B 23 -8.892 0.271 -10.322 1.00 2.48 H new ATOM 0 HE2 TYR B 23 -8.550 4.243 -8.817 1.00 1.83 H new ATOM 0 HH TYR B 23 -8.680 3.775 -10.973 1.00 2.99 H new ATOM 1217 N ALA B 24 -5.744 1.775 -5.838 1.00 0.72 N ATOM 1218 CA ALA B 24 -4.699 2.457 -6.583 1.00 0.87 C ATOM 1219 C ALA B 24 -3.388 1.686 -6.523 1.00 0.75 C ATOM 1220 O ALA B 24 -2.637 1.642 -7.497 1.00 0.84 O ATOM 1221 CB ALA B 24 -4.517 3.866 -6.060 1.00 1.14 C ATOM 0 H ALA B 24 -6.104 2.296 -5.038 1.00 0.72 H new ATOM 0 HA ALA B 24 -5.005 2.510 -7.628 1.00 0.87 H new ATOM 0 HB1 ALA B 24 -3.731 4.366 -6.627 1.00 1.14 H new ATOM 0 HB2 ALA B 24 -5.450 4.418 -6.169 1.00 1.14 H new ATOM 0 HB3 ALA B 24 -4.238 3.830 -5.007 1.00 1.14 H new ATOM 1227 N ILE B 25 -3.125 1.075 -5.377 1.00 0.63 N ATOM 1228 CA ILE B 25 -1.936 0.257 -5.209 1.00 0.71 C ATOM 1229 C ILE B 25 -2.054 -1.029 -6.033 1.00 0.61 C ATOM 1230 O ILE B 25 -1.087 -1.465 -6.654 1.00 0.66 O ATOM 1231 CB ILE B 25 -1.686 -0.059 -3.713 1.00 0.80 C ATOM 1232 CG1 ILE B 25 -1.318 1.232 -2.970 1.00 0.97 C ATOM 1233 CG2 ILE B 25 -0.594 -1.107 -3.544 1.00 0.91 C ATOM 1234 CD1 ILE B 25 -1.039 1.046 -1.491 1.00 0.89 C ATOM 0 H ILE B 25 -3.720 1.131 -4.550 1.00 0.63 H new ATOM 0 HA ILE B 25 -1.077 0.819 -5.574 1.00 0.71 H new ATOM 0 HB ILE B 25 -2.601 -0.470 -3.287 1.00 0.80 H new ATOM 0 HG12 ILE B 25 -0.438 1.670 -3.441 1.00 0.97 H new ATOM 0 HG13 ILE B 25 -2.131 1.948 -3.087 1.00 0.97 H new ATOM 0 HG21 ILE B 25 -0.442 -1.307 -2.483 1.00 0.91 H new ATOM 0 HG22 ILE B 25 -0.891 -2.027 -4.047 1.00 0.91 H new ATOM 0 HG23 ILE B 25 0.334 -0.739 -3.980 1.00 0.91 H new ATOM 0 HD11 ILE B 25 -0.787 2.008 -1.044 1.00 0.89 H new ATOM 0 HD12 ILE B 25 -1.924 0.640 -1.002 1.00 0.89 H new ATOM 0 HD13 ILE B 25 -0.205 0.357 -1.362 1.00 0.89 H new ATOM 1246 N ILE B 26 -3.257 -1.603 -6.062 1.00 0.53 N ATOM 1247 CA ILE B 26 -3.542 -2.786 -6.876 1.00 0.53 C ATOM 1248 C ILE B 26 -3.178 -2.547 -8.341 1.00 0.51 C ATOM 1249 O ILE B 26 -2.384 -3.287 -8.922 1.00 0.53 O ATOM 1250 CB ILE B 26 -5.039 -3.183 -6.779 1.00 0.58 C ATOM 1251 CG1 ILE B 26 -5.342 -3.776 -5.399 1.00 0.67 C ATOM 1252 CG2 ILE B 26 -5.432 -4.159 -7.887 1.00 0.62 C ATOM 1253 CD1 ILE B 26 -6.791 -4.169 -5.209 1.00 0.78 C ATOM 0 H ILE B 26 -4.056 -1.265 -5.526 1.00 0.53 H new ATOM 0 HA ILE B 26 -2.931 -3.600 -6.485 1.00 0.53 H new ATOM 0 HB ILE B 26 -5.636 -2.281 -6.911 1.00 0.58 H new ATOM 0 HG12 ILE B 26 -4.714 -4.653 -5.245 1.00 0.67 H new ATOM 0 HG13 ILE B 26 -5.069 -3.050 -4.634 1.00 0.67 H new ATOM 0 HG21 ILE B 26 -6.487 -4.416 -7.789 1.00 0.62 H new ATOM 0 HG22 ILE B 26 -5.261 -3.695 -8.858 1.00 0.62 H new ATOM 0 HG23 ILE B 26 -4.829 -5.064 -7.806 1.00 0.62 H new ATOM 0 HD11 ILE B 26 -6.928 -4.581 -4.209 1.00 0.78 H new ATOM 0 HD12 ILE B 26 -7.425 -3.291 -5.330 1.00 0.78 H new ATOM 0 HD13 ILE B 26 -7.065 -4.919 -5.951 1.00 0.78 H new ATOM 1265 N GLN B 27 -3.748 -1.499 -8.921 1.00 0.54 N ATOM 1266 CA GLN B 27 -3.548 -1.198 -10.336 1.00 0.62 C ATOM 1267 C GLN B 27 -2.089 -0.881 -10.646 1.00 0.55 C ATOM 1268 O GLN B 27 -1.532 -1.384 -11.622 1.00 0.57 O ATOM 1269 CB GLN B 27 -4.440 -0.033 -10.762 1.00 0.79 C ATOM 1270 CG GLN B 27 -5.917 -0.384 -10.779 1.00 0.89 C ATOM 1271 CD GLN B 27 -6.243 -1.481 -11.775 1.00 1.10 C ATOM 1272 OE1 GLN B 27 -5.592 -1.608 -12.812 1.00 1.58 O ATOM 1273 NE2 GLN B 27 -7.243 -2.287 -11.463 1.00 1.34 N ATOM 0 H GLN B 27 -4.355 -0.840 -8.433 1.00 0.54 H new ATOM 0 HA GLN B 27 -3.823 -2.088 -10.903 1.00 0.62 H new ATOM 0 HB2 GLN B 27 -4.280 0.805 -10.084 1.00 0.79 H new ATOM 0 HB3 GLN B 27 -4.141 0.300 -11.756 1.00 0.79 H new ATOM 0 HG2 GLN B 27 -6.223 -0.701 -9.782 1.00 0.89 H new ATOM 0 HG3 GLN B 27 -6.496 0.507 -11.022 1.00 0.89 H new ATOM 0 HE21 GLN B 27 -7.758 -2.148 -10.594 1.00 1.34 H new ATOM 0 HE22 GLN B 27 -7.500 -3.048 -12.092 1.00 1.34 H new ATOM 1282 N PHE B 28 -1.468 -0.066 -9.804 1.00 0.52 N ATOM 1283 CA PHE B 28 -0.086 0.338 -10.025 1.00 0.51 C ATOM 1284 C PHE B 28 0.857 -0.849 -9.905 1.00 0.43 C ATOM 1285 O PHE B 28 1.735 -1.038 -10.746 1.00 0.42 O ATOM 1286 CB PHE B 28 0.319 1.432 -9.042 1.00 0.60 C ATOM 1287 CG PHE B 28 1.751 1.869 -9.186 1.00 0.90 C ATOM 1288 CD1 PHE B 28 2.152 2.625 -10.275 1.00 1.60 C ATOM 1289 CD2 PHE B 28 2.693 1.528 -8.229 1.00 1.62 C ATOM 1290 CE1 PHE B 28 3.465 3.031 -10.410 1.00 1.98 C ATOM 1291 CE2 PHE B 28 4.008 1.931 -8.358 1.00 1.96 C ATOM 1292 CZ PHE B 28 4.394 2.683 -9.450 1.00 1.83 C ATOM 0 H PHE B 28 -1.897 0.327 -8.966 1.00 0.52 H new ATOM 0 HA PHE B 28 -0.013 0.733 -11.038 1.00 0.51 H new ATOM 0 HB2 PHE B 28 -0.332 2.295 -9.183 1.00 0.60 H new ATOM 0 HB3 PHE B 28 0.157 1.074 -8.025 1.00 0.60 H new ATOM 0 HD1 PHE B 28 1.429 2.900 -11.028 1.00 1.60 H new ATOM 0 HD2 PHE B 28 2.396 0.941 -7.373 1.00 1.62 H new ATOM 0 HE1 PHE B 28 3.764 3.619 -11.265 1.00 1.98 H new ATOM 0 HE2 PHE B 28 4.733 1.658 -7.606 1.00 1.96 H new ATOM 0 HZ PHE B 28 5.422 2.999 -9.553 1.00 1.83 H new ATOM 1302 N LEU B 29 0.674 -1.651 -8.862 1.00 0.45 N ATOM 1303 CA LEU B 29 1.502 -2.832 -8.660 1.00 0.45 C ATOM 1304 C LEU B 29 1.288 -3.832 -9.788 1.00 0.45 C ATOM 1305 O LEU B 29 2.232 -4.480 -10.232 1.00 0.48 O ATOM 1306 CB LEU B 29 1.208 -3.486 -7.305 1.00 0.53 C ATOM 1307 CG LEU B 29 2.095 -3.032 -6.137 1.00 0.59 C ATOM 1308 CD1 LEU B 29 2.063 -1.520 -5.963 1.00 0.57 C ATOM 1309 CD2 LEU B 29 1.665 -3.725 -4.853 1.00 0.70 C ATOM 0 H LEU B 29 -0.038 -1.505 -8.146 1.00 0.45 H new ATOM 0 HA LEU B 29 2.545 -2.516 -8.665 1.00 0.45 H new ATOM 0 HB2 LEU B 29 0.168 -3.288 -7.045 1.00 0.53 H new ATOM 0 HB3 LEU B 29 1.309 -4.566 -7.415 1.00 0.53 H new ATOM 0 HG LEU B 29 3.122 -3.314 -6.367 1.00 0.59 H new ATOM 0 HD11 LEU B 29 2.702 -1.236 -5.127 1.00 0.57 H new ATOM 0 HD12 LEU B 29 2.423 -1.041 -6.874 1.00 0.57 H new ATOM 0 HD13 LEU B 29 1.041 -1.198 -5.763 1.00 0.57 H new ATOM 0 HD21 LEU B 29 2.301 -3.396 -4.031 1.00 0.70 H new ATOM 0 HD22 LEU B 29 0.628 -3.472 -4.633 1.00 0.70 H new ATOM 0 HD23 LEU B 29 1.758 -4.804 -4.973 1.00 0.70 H new ATOM 1321 N HIS B 30 0.048 -3.933 -10.260 1.00 0.47 N ATOM 1322 CA HIS B 30 -0.287 -4.819 -11.370 1.00 0.53 C ATOM 1323 C HIS B 30 0.561 -4.488 -12.598 1.00 0.48 C ATOM 1324 O HIS B 30 1.188 -5.370 -13.186 1.00 0.49 O ATOM 1325 CB HIS B 30 -1.780 -4.703 -11.705 1.00 0.67 C ATOM 1326 CG HIS B 30 -2.223 -5.579 -12.837 1.00 0.94 C ATOM 1327 ND1 HIS B 30 -2.591 -5.088 -14.070 1.00 1.11 N ATOM 1328 CD2 HIS B 30 -2.363 -6.923 -12.915 1.00 1.18 C ATOM 1329 CE1 HIS B 30 -2.940 -6.088 -14.856 1.00 1.38 C ATOM 1330 NE2 HIS B 30 -2.809 -7.211 -14.180 1.00 1.41 N ATOM 0 H HIS B 30 -0.744 -3.409 -9.888 1.00 0.47 H new ATOM 0 HA HIS B 30 -0.072 -5.845 -11.072 1.00 0.53 H new ATOM 0 HB2 HIS B 30 -2.361 -4.953 -10.817 1.00 0.67 H new ATOM 0 HB3 HIS B 30 -2.006 -3.666 -11.952 1.00 0.67 H new ATOM 0 HD2 HIS B 30 -2.161 -7.635 -12.129 1.00 1.18 H new ATOM 0 HE1 HIS B 30 -3.276 -6.001 -15.879 1.00 1.38 H new ATOM 0 HE2 HIS B 30 -3.007 -8.145 -14.539 1.00 1.41 H new ATOM 1339 N ASP B 31 0.586 -3.215 -12.976 1.00 0.48 N ATOM 1340 CA ASP B 31 1.382 -2.781 -14.119 1.00 0.52 C ATOM 1341 C ASP B 31 2.867 -2.816 -13.787 1.00 0.45 C ATOM 1342 O ASP B 31 3.696 -3.116 -14.643 1.00 0.50 O ATOM 1343 CB ASP B 31 0.983 -1.373 -14.571 1.00 0.63 C ATOM 1344 CG ASP B 31 -0.329 -1.353 -15.325 1.00 1.24 C ATOM 1345 OD1 ASP B 31 -0.349 -1.770 -16.501 1.00 1.79 O ATOM 1346 OD2 ASP B 31 -1.346 -0.918 -14.750 1.00 1.98 O ATOM 0 H ASP B 31 0.068 -2.469 -12.511 1.00 0.48 H new ATOM 0 HA ASP B 31 1.186 -3.474 -14.937 1.00 0.52 H new ATOM 0 HB2 ASP B 31 0.906 -0.724 -13.699 1.00 0.63 H new ATOM 0 HB3 ASP B 31 1.769 -0.963 -15.206 1.00 0.63 H new ATOM 1351 N GLN B 32 3.194 -2.524 -12.534 1.00 0.42 N ATOM 1352 CA GLN B 32 4.580 -2.524 -12.076 1.00 0.44 C ATOM 1353 C GLN B 32 5.199 -3.906 -12.247 1.00 0.38 C ATOM 1354 O GLN B 32 6.369 -4.032 -12.607 1.00 0.43 O ATOM 1355 CB GLN B 32 4.647 -2.089 -10.610 1.00 0.52 C ATOM 1356 CG GLN B 32 6.056 -1.841 -10.098 1.00 0.57 C ATOM 1357 CD GLN B 32 6.072 -1.369 -8.654 1.00 1.17 C ATOM 1358 OE1 GLN B 32 6.944 -0.603 -8.247 1.00 1.93 O ATOM 1359 NE2 GLN B 32 5.114 -1.832 -7.866 1.00 1.31 N ATOM 0 H GLN B 32 2.515 -2.283 -11.812 1.00 0.42 H new ATOM 0 HA GLN B 32 5.148 -1.816 -12.680 1.00 0.44 H new ATOM 0 HB2 GLN B 32 4.062 -1.178 -10.486 1.00 0.52 H new ATOM 0 HB3 GLN B 32 4.178 -2.856 -9.993 1.00 0.52 H new ATOM 0 HG2 GLN B 32 6.638 -2.759 -10.184 1.00 0.57 H new ATOM 0 HG3 GLN B 32 6.542 -1.095 -10.727 1.00 0.57 H new ATOM 0 HE21 GLN B 32 4.408 -2.466 -8.240 1.00 1.31 H new ATOM 0 HE22 GLN B 32 5.082 -1.555 -6.885 1.00 1.31 H new ATOM 1368 N LEU B 33 4.404 -4.940 -11.999 1.00 0.37 N ATOM 1369 CA LEU B 33 4.857 -6.314 -12.176 1.00 0.42 C ATOM 1370 C LEU B 33 5.108 -6.604 -13.647 1.00 0.46 C ATOM 1371 O LEU B 33 6.120 -7.203 -14.010 1.00 0.53 O ATOM 1372 CB LEU B 33 3.823 -7.299 -11.622 1.00 0.53 C ATOM 1373 CG LEU B 33 3.494 -7.125 -10.141 1.00 0.80 C ATOM 1374 CD1 LEU B 33 2.542 -8.214 -9.677 1.00 1.22 C ATOM 1375 CD2 LEU B 33 4.765 -7.130 -9.309 1.00 0.83 C ATOM 0 H LEU B 33 3.441 -4.853 -11.674 1.00 0.37 H new ATOM 0 HA LEU B 33 5.790 -6.438 -11.625 1.00 0.42 H new ATOM 0 HB2 LEU B 33 2.903 -7.198 -12.197 1.00 0.53 H new ATOM 0 HB3 LEU B 33 4.189 -8.314 -11.781 1.00 0.53 H new ATOM 0 HG LEU B 33 3.003 -6.161 -10.006 1.00 0.80 H new ATOM 0 HD11 LEU B 33 2.318 -8.075 -8.619 1.00 1.22 H new ATOM 0 HD12 LEU B 33 1.619 -8.160 -10.254 1.00 1.22 H new ATOM 0 HD13 LEU B 33 3.005 -9.189 -9.825 1.00 1.22 H new ATOM 0 HD21 LEU B 33 4.511 -7.005 -8.256 1.00 0.83 H new ATOM 0 HD22 LEU B 33 5.286 -8.077 -9.447 1.00 0.83 H new ATOM 0 HD23 LEU B 33 5.411 -6.311 -9.626 1.00 0.83 H new ATOM 1387 N ARG B 34 4.194 -6.149 -14.490 1.00 0.47 N ATOM 1388 CA ARG B 34 4.299 -6.373 -15.926 1.00 0.59 C ATOM 1389 C ARG B 34 5.457 -5.577 -16.519 1.00 0.58 C ATOM 1390 O ARG B 34 6.037 -5.967 -17.529 1.00 0.69 O ATOM 1391 CB ARG B 34 2.984 -5.999 -16.614 1.00 0.70 C ATOM 1392 CG ARG B 34 1.794 -6.809 -16.123 1.00 1.41 C ATOM 1393 CD ARG B 34 1.992 -8.294 -16.376 1.00 1.46 C ATOM 1394 NE ARG B 34 0.937 -9.105 -15.775 1.00 2.18 N ATOM 1395 CZ ARG B 34 1.019 -10.424 -15.615 1.00 2.53 C ATOM 1396 NH1 ARG B 34 2.093 -11.081 -16.037 1.00 2.19 N ATOM 1397 NH2 ARG B 34 0.032 -11.086 -15.029 1.00 3.50 N ATOM 0 H ARG B 34 3.369 -5.621 -14.205 1.00 0.47 H new ATOM 0 HA ARG B 34 4.497 -7.431 -16.095 1.00 0.59 H new ATOM 0 HB2 ARG B 34 2.785 -4.940 -16.451 1.00 0.70 H new ATOM 0 HB3 ARG B 34 3.092 -6.141 -17.689 1.00 0.70 H new ATOM 0 HG2 ARG B 34 1.649 -6.636 -15.057 1.00 1.41 H new ATOM 0 HG3 ARG B 34 0.889 -6.470 -16.626 1.00 1.41 H new ATOM 0 HD2 ARG B 34 2.020 -8.477 -17.450 1.00 1.46 H new ATOM 0 HD3 ARG B 34 2.957 -8.603 -15.975 1.00 1.46 H new ATOM 0 HE ARG B 34 0.089 -8.634 -15.460 1.00 2.18 H new ATOM 0 HH11 ARG B 34 2.857 -10.575 -16.485 1.00 2.19 H new ATOM 0 HH12 ARG B 34 2.154 -12.092 -15.913 1.00 2.19 H new ATOM 0 HH21 ARG B 34 -0.793 -10.585 -14.699 1.00 3.50 H new ATOM 0 HH22 ARG B 34 0.097 -12.097 -14.908 1.00 3.50 H new ATOM 1411 N HIS B 35 5.802 -4.467 -15.878 1.00 0.53 N ATOM 1412 CA HIS B 35 6.910 -3.635 -16.337 1.00 0.59 C ATOM 1413 C HIS B 35 8.226 -4.076 -15.706 1.00 0.58 C ATOM 1414 O HIS B 35 9.282 -3.527 -16.005 1.00 0.74 O ATOM 1415 CB HIS B 35 6.656 -2.158 -16.017 1.00 0.59 C ATOM 1416 CG HIS B 35 5.468 -1.579 -16.725 1.00 1.17 C ATOM 1417 ND1 HIS B 35 4.684 -0.581 -16.187 1.00 1.99 N ATOM 1418 CD2 HIS B 35 4.936 -1.858 -17.937 1.00 1.62 C ATOM 1419 CE1 HIS B 35 3.723 -0.276 -17.037 1.00 2.69 C ATOM 1420 NE2 HIS B 35 3.854 -1.035 -18.108 1.00 2.43 N ATOM 0 H HIS B 35 5.333 -4.122 -15.041 1.00 0.53 H new ATOM 0 HA HIS B 35 6.981 -3.756 -17.418 1.00 0.59 H new ATOM 0 HB2 HIS B 35 6.515 -2.048 -14.942 1.00 0.59 H new ATOM 0 HB3 HIS B 35 7.542 -1.581 -16.283 1.00 0.59 H new ATOM 0 HD2 HIS B 35 5.297 -2.594 -18.640 1.00 1.62 H new ATOM 0 HE1 HIS B 35 2.957 0.470 -16.882 1.00 2.69 H new ATOM 0 HE2 HIS B 35 3.249 -1.013 -18.929 1.00 2.43 H new ATOM 1429 N GLY B 36 8.147 -5.070 -14.826 1.00 0.49 N ATOM 1430 CA GLY B 36 9.335 -5.591 -14.174 1.00 0.51 C ATOM 1431 C GLY B 36 9.964 -4.594 -13.217 1.00 0.47 C ATOM 1432 O GLY B 36 11.185 -4.475 -13.157 1.00 0.53 O ATOM 0 H GLY B 36 7.277 -5.526 -14.552 1.00 0.49 H new ATOM 0 HA2 GLY B 36 9.076 -6.498 -13.628 1.00 0.51 H new ATOM 0 HA3 GLY B 36 10.066 -5.872 -14.932 1.00 0.51 H new ATOM 1436 N GLY B 37 9.128 -3.878 -12.472 1.00 0.41 N ATOM 1437 CA GLY B 37 9.624 -2.892 -11.527 1.00 0.40 C ATOM 1438 C GLY B 37 10.411 -3.519 -10.392 1.00 0.39 C ATOM 1439 O GLY B 37 11.398 -2.953 -9.922 1.00 0.53 O ATOM 0 H GLY B 37 8.112 -3.963 -12.506 1.00 0.41 H new ATOM 0 HA2 GLY B 37 10.257 -2.177 -12.052 1.00 0.40 H new ATOM 0 HA3 GLY B 37 8.784 -2.332 -11.116 1.00 0.40 H new ATOM 1443 N LEU B 38 9.967 -4.686 -9.945 1.00 0.36 N ATOM 1444 CA LEU B 38 10.656 -5.413 -8.885 1.00 0.41 C ATOM 1445 C LEU B 38 11.337 -6.653 -9.455 1.00 0.49 C ATOM 1446 O LEU B 38 11.228 -6.932 -10.649 1.00 0.83 O ATOM 1447 CB LEU B 38 9.683 -5.824 -7.765 1.00 0.44 C ATOM 1448 CG LEU B 38 9.240 -4.715 -6.796 1.00 0.44 C ATOM 1449 CD1 LEU B 38 10.440 -4.070 -6.123 1.00 0.51 C ATOM 1450 CD2 LEU B 38 8.401 -3.668 -7.504 1.00 0.47 C ATOM 0 H LEU B 38 9.131 -5.151 -10.300 1.00 0.36 H new ATOM 0 HA LEU B 38 11.408 -4.749 -8.459 1.00 0.41 H new ATOM 0 HB2 LEU B 38 8.792 -6.249 -8.227 1.00 0.44 H new ATOM 0 HB3 LEU B 38 10.150 -6.619 -7.183 1.00 0.44 H new ATOM 0 HG LEU B 38 8.622 -5.178 -6.026 1.00 0.44 H new ATOM 0 HD11 LEU B 38 10.100 -3.289 -5.443 1.00 0.51 H new ATOM 0 HD12 LEU B 38 10.992 -4.824 -5.562 1.00 0.51 H new ATOM 0 HD13 LEU B 38 11.091 -3.633 -6.880 1.00 0.51 H new ATOM 0 HD21 LEU B 38 8.103 -2.898 -6.792 1.00 0.47 H new ATOM 0 HD22 LEU B 38 8.985 -3.215 -8.306 1.00 0.47 H new ATOM 0 HD23 LEU B 38 7.511 -4.138 -7.924 1.00 0.47 H new ATOM 1462 N SER B 39 12.035 -7.391 -8.601 1.00 0.47 N ATOM 1463 CA SER B 39 12.702 -8.619 -9.017 1.00 0.54 C ATOM 1464 C SER B 39 11.668 -9.737 -9.212 1.00 0.48 C ATOM 1465 O SER B 39 10.476 -9.517 -9.006 1.00 0.45 O ATOM 1466 CB SER B 39 13.748 -9.008 -7.971 1.00 0.67 C ATOM 1467 OG SER B 39 14.612 -10.024 -8.447 1.00 1.42 O ATOM 0 H SER B 39 12.154 -7.160 -7.615 1.00 0.47 H new ATOM 0 HA SER B 39 13.208 -8.460 -9.969 1.00 0.54 H new ATOM 0 HB2 SER B 39 14.334 -8.130 -7.698 1.00 0.67 H new ATOM 0 HB3 SER B 39 13.247 -9.351 -7.066 1.00 0.67 H new ATOM 0 HG SER B 39 15.268 -10.247 -7.754 1.00 1.42 H new ATOM 1473 N SER B 40 12.116 -10.930 -9.595 1.00 0.59 N ATOM 1474 CA SER B 40 11.200 -12.018 -9.938 1.00 0.61 C ATOM 1475 C SER B 40 10.355 -12.446 -8.736 1.00 0.53 C ATOM 1476 O SER B 40 9.124 -12.398 -8.788 1.00 0.49 O ATOM 1477 CB SER B 40 11.978 -13.215 -10.487 1.00 0.77 C ATOM 1478 OG SER B 40 11.101 -14.205 -11.004 1.00 1.63 O ATOM 0 H SER B 40 13.104 -11.169 -9.676 1.00 0.59 H new ATOM 0 HA SER B 40 10.522 -11.647 -10.707 1.00 0.61 H new ATOM 0 HB2 SER B 40 12.657 -12.882 -11.272 1.00 0.77 H new ATOM 0 HB3 SER B 40 12.592 -13.646 -9.696 1.00 0.77 H new ATOM 0 HG SER B 40 11.625 -14.958 -11.350 1.00 1.63 H new ATOM 1484 N ASP B 41 11.017 -12.851 -7.656 1.00 0.57 N ATOM 1485 CA ASP B 41 10.321 -13.289 -6.445 1.00 0.58 C ATOM 1486 C ASP B 41 9.497 -12.151 -5.859 1.00 0.53 C ATOM 1487 O ASP B 41 8.377 -12.352 -5.381 1.00 0.55 O ATOM 1488 CB ASP B 41 11.325 -13.796 -5.407 1.00 0.71 C ATOM 1489 CG ASP B 41 10.677 -14.092 -4.070 1.00 1.26 C ATOM 1490 OD1 ASP B 41 10.006 -15.136 -3.946 1.00 1.69 O ATOM 1491 OD2 ASP B 41 10.838 -13.279 -3.138 1.00 2.21 O ATOM 0 H ASP B 41 12.034 -12.886 -7.592 1.00 0.57 H new ATOM 0 HA ASP B 41 9.649 -14.104 -6.714 1.00 0.58 H new ATOM 0 HB2 ASP B 41 11.806 -14.699 -5.782 1.00 0.71 H new ATOM 0 HB3 ASP B 41 12.109 -13.051 -5.270 1.00 0.71 H new ATOM 1496 N ALA B 42 10.055 -10.952 -5.918 1.00 0.51 N ATOM 1497 CA ALA B 42 9.373 -9.763 -5.440 1.00 0.50 C ATOM 1498 C ALA B 42 8.112 -9.503 -6.255 1.00 0.47 C ATOM 1499 O ALA B 42 7.082 -9.095 -5.716 1.00 0.52 O ATOM 1500 CB ALA B 42 10.309 -8.573 -5.514 1.00 0.54 C ATOM 0 H ALA B 42 10.986 -10.778 -6.296 1.00 0.51 H new ATOM 0 HA ALA B 42 9.078 -9.918 -4.402 1.00 0.50 H new ATOM 0 HB1 ALA B 42 9.794 -7.682 -5.155 1.00 0.54 H new ATOM 0 HB2 ALA B 42 11.186 -8.760 -4.894 1.00 0.54 H new ATOM 0 HB3 ALA B 42 10.621 -8.419 -6.547 1.00 0.54 H new ATOM 1506 N GLN B 43 8.210 -9.752 -7.555 1.00 0.44 N ATOM 1507 CA GLN B 43 7.086 -9.598 -8.466 1.00 0.45 C ATOM 1508 C GLN B 43 5.941 -10.513 -8.053 1.00 0.45 C ATOM 1509 O GLN B 43 4.789 -10.089 -7.960 1.00 0.48 O ATOM 1510 CB GLN B 43 7.527 -9.928 -9.893 1.00 0.49 C ATOM 1511 CG GLN B 43 6.465 -9.678 -10.949 1.00 0.82 C ATOM 1512 CD GLN B 43 6.925 -10.053 -12.346 1.00 0.85 C ATOM 1513 OE1 GLN B 43 6.121 -10.456 -13.186 1.00 1.57 O ATOM 1514 NE2 GLN B 43 8.216 -9.914 -12.609 1.00 1.12 N ATOM 0 H GLN B 43 9.070 -10.066 -8.005 1.00 0.44 H new ATOM 0 HA GLN B 43 6.740 -8.565 -8.426 1.00 0.45 H new ATOM 0 HB2 GLN B 43 8.409 -9.335 -10.134 1.00 0.49 H new ATOM 0 HB3 GLN B 43 7.825 -10.975 -9.935 1.00 0.49 H new ATOM 0 HG2 GLN B 43 5.570 -10.249 -10.700 1.00 0.82 H new ATOM 0 HG3 GLN B 43 6.185 -8.625 -10.934 1.00 0.82 H new ATOM 0 HE21 GLN B 43 8.851 -9.577 -11.885 1.00 1.12 H new ATOM 0 HE22 GLN B 43 8.575 -10.144 -13.535 1.00 1.12 H new ATOM 1523 N GLU B 44 6.276 -11.770 -7.793 1.00 0.49 N ATOM 1524 CA GLU B 44 5.287 -12.752 -7.375 1.00 0.54 C ATOM 1525 C GLU B 44 4.666 -12.342 -6.045 1.00 0.51 C ATOM 1526 O GLU B 44 3.453 -12.450 -5.853 1.00 0.50 O ATOM 1527 CB GLU B 44 5.930 -14.132 -7.242 1.00 0.68 C ATOM 1528 CG GLU B 44 6.695 -14.570 -8.478 1.00 1.20 C ATOM 1529 CD GLU B 44 7.213 -15.987 -8.371 1.00 1.65 C ATOM 1530 OE1 GLU B 44 8.135 -16.231 -7.564 1.00 2.36 O ATOM 1531 OE2 GLU B 44 6.701 -16.867 -9.097 1.00 2.20 O ATOM 0 H GLU B 44 7.227 -12.133 -7.865 1.00 0.49 H new ATOM 0 HA GLU B 44 4.505 -12.798 -8.133 1.00 0.54 H new ATOM 0 HB2 GLU B 44 6.608 -14.126 -6.389 1.00 0.68 H new ATOM 0 HB3 GLU B 44 5.153 -14.866 -7.027 1.00 0.68 H new ATOM 0 HG2 GLU B 44 6.046 -14.490 -9.350 1.00 1.20 H new ATOM 0 HG3 GLU B 44 7.533 -13.892 -8.641 1.00 1.20 H new ATOM 1538 N SER B 45 5.512 -11.847 -5.148 1.00 0.54 N ATOM 1539 CA SER B 45 5.083 -11.427 -3.822 1.00 0.59 C ATOM 1540 C SER B 45 4.066 -10.288 -3.903 1.00 0.55 C ATOM 1541 O SER B 45 3.064 -10.297 -3.187 1.00 0.58 O ATOM 1542 CB SER B 45 6.295 -11.002 -2.991 1.00 0.71 C ATOM 1543 OG SER B 45 7.238 -12.057 -2.890 1.00 1.04 O ATOM 0 H SER B 45 6.510 -11.727 -5.320 1.00 0.54 H new ATOM 0 HA SER B 45 4.597 -12.273 -3.337 1.00 0.59 H new ATOM 0 HB2 SER B 45 6.766 -10.131 -3.447 1.00 0.71 H new ATOM 0 HB3 SER B 45 5.970 -10.703 -1.994 1.00 0.71 H new ATOM 0 HG SER B 45 7.633 -12.229 -3.771 1.00 1.04 H new ATOM 1549 N LEU B 46 4.313 -9.319 -4.783 1.00 0.56 N ATOM 1550 CA LEU B 46 3.380 -8.209 -4.970 1.00 0.60 C ATOM 1551 C LEU B 46 2.021 -8.718 -5.415 1.00 0.50 C ATOM 1552 O LEU B 46 0.996 -8.271 -4.915 1.00 0.48 O ATOM 1553 CB LEU B 46 3.890 -7.210 -6.009 1.00 0.74 C ATOM 1554 CG LEU B 46 5.054 -6.319 -5.572 1.00 0.75 C ATOM 1555 CD1 LEU B 46 5.299 -5.209 -6.579 1.00 1.28 C ATOM 1556 CD2 LEU B 46 4.799 -5.730 -4.194 1.00 1.14 C ATOM 0 H LEU B 46 5.144 -9.279 -5.373 1.00 0.56 H new ATOM 0 HA LEU B 46 3.293 -7.706 -4.007 1.00 0.60 H new ATOM 0 HB2 LEU B 46 4.197 -7.764 -6.896 1.00 0.74 H new ATOM 0 HB3 LEU B 46 3.060 -6.569 -6.305 1.00 0.74 H new ATOM 0 HG LEU B 46 5.947 -6.942 -5.523 1.00 0.75 H new ATOM 0 HD11 LEU B 46 6.132 -4.591 -6.244 1.00 1.28 H new ATOM 0 HD12 LEU B 46 5.538 -5.644 -7.549 1.00 1.28 H new ATOM 0 HD13 LEU B 46 4.403 -4.594 -6.668 1.00 1.28 H new ATOM 0 HD21 LEU B 46 5.641 -5.100 -3.906 1.00 1.14 H new ATOM 0 HD22 LEU B 46 3.889 -5.131 -4.217 1.00 1.14 H new ATOM 0 HD23 LEU B 46 4.684 -6.536 -3.469 1.00 1.14 H new ATOM 1568 N GLU B 47 2.023 -9.659 -6.349 1.00 0.49 N ATOM 1569 CA GLU B 47 0.785 -10.199 -6.891 1.00 0.48 C ATOM 1570 C GLU B 47 -0.041 -10.865 -5.796 1.00 0.43 C ATOM 1571 O GLU B 47 -1.259 -10.688 -5.732 1.00 0.45 O ATOM 1572 CB GLU B 47 1.089 -11.185 -8.018 1.00 0.55 C ATOM 1573 CG GLU B 47 -0.152 -11.793 -8.649 1.00 0.81 C ATOM 1574 CD GLU B 47 0.174 -12.672 -9.835 1.00 1.06 C ATOM 1575 OE1 GLU B 47 0.437 -13.874 -9.636 1.00 1.52 O ATOM 1576 OE2 GLU B 47 0.165 -12.163 -10.975 1.00 1.75 O ATOM 0 H GLU B 47 2.870 -10.064 -6.747 1.00 0.49 H new ATOM 0 HA GLU B 47 0.198 -9.377 -7.299 1.00 0.48 H new ATOM 0 HB2 GLU B 47 1.665 -10.675 -8.790 1.00 0.55 H new ATOM 0 HB3 GLU B 47 1.717 -11.986 -7.628 1.00 0.55 H new ATOM 0 HG2 GLU B 47 -0.686 -12.380 -7.901 1.00 0.81 H new ATOM 0 HG3 GLU B 47 -0.823 -10.995 -8.966 1.00 0.81 H new ATOM 1583 N VAL B 48 0.624 -11.612 -4.923 1.00 0.41 N ATOM 1584 CA VAL B 48 -0.051 -12.235 -3.792 1.00 0.42 C ATOM 1585 C VAL B 48 -0.590 -11.159 -2.854 1.00 0.41 C ATOM 1586 O VAL B 48 -1.711 -11.257 -2.353 1.00 0.43 O ATOM 1587 CB VAL B 48 0.888 -13.176 -3.007 1.00 0.45 C ATOM 1588 CG1 VAL B 48 0.134 -13.886 -1.894 1.00 0.49 C ATOM 1589 CG2 VAL B 48 1.534 -14.189 -3.934 1.00 0.48 C ATOM 0 H VAL B 48 1.625 -11.800 -4.976 1.00 0.41 H new ATOM 0 HA VAL B 48 -0.872 -12.833 -4.188 1.00 0.42 H new ATOM 0 HB VAL B 48 1.674 -12.568 -2.559 1.00 0.45 H new ATOM 0 HG11 VAL B 48 0.816 -14.544 -1.355 1.00 0.49 H new ATOM 0 HG12 VAL B 48 -0.279 -13.148 -1.206 1.00 0.49 H new ATOM 0 HG13 VAL B 48 -0.676 -14.476 -2.322 1.00 0.49 H new ATOM 0 HG21 VAL B 48 2.191 -14.841 -3.359 1.00 0.48 H new ATOM 0 HG22 VAL B 48 0.760 -14.787 -4.415 1.00 0.48 H new ATOM 0 HG23 VAL B 48 2.115 -13.667 -4.694 1.00 0.48 H new ATOM 1599 N ALA B 49 0.213 -10.119 -2.643 1.00 0.41 N ATOM 1600 CA ALA B 49 -0.184 -8.994 -1.808 1.00 0.43 C ATOM 1601 C ALA B 49 -1.414 -8.302 -2.377 1.00 0.43 C ATOM 1602 O ALA B 49 -2.327 -7.943 -1.636 1.00 0.48 O ATOM 1603 CB ALA B 49 0.959 -8.001 -1.674 1.00 0.44 C ATOM 0 H ALA B 49 1.148 -10.034 -3.043 1.00 0.41 H new ATOM 0 HA ALA B 49 -0.433 -9.380 -0.819 1.00 0.43 H new ATOM 0 HB1 ALA B 49 0.645 -7.167 -1.047 1.00 0.44 H new ATOM 0 HB2 ALA B 49 1.818 -8.494 -1.218 1.00 0.44 H new ATOM 0 HB3 ALA B 49 1.235 -7.629 -2.661 1.00 0.44 H new ATOM 1609 N ILE B 50 -1.431 -8.129 -3.696 1.00 0.40 N ATOM 1610 CA ILE B 50 -2.562 -7.523 -4.388 1.00 0.41 C ATOM 1611 C ILE B 50 -3.854 -8.260 -4.056 1.00 0.38 C ATOM 1612 O ILE B 50 -4.836 -7.652 -3.634 1.00 0.41 O ATOM 1613 CB ILE B 50 -2.359 -7.532 -5.921 1.00 0.43 C ATOM 1614 CG1 ILE B 50 -1.165 -6.656 -6.312 1.00 0.53 C ATOM 1615 CG2 ILE B 50 -3.617 -7.059 -6.635 1.00 0.47 C ATOM 1616 CD1 ILE B 50 -0.878 -6.646 -7.799 1.00 0.62 C ATOM 0 H ILE B 50 -0.665 -8.404 -4.311 1.00 0.40 H new ATOM 0 HA ILE B 50 -2.630 -6.490 -4.047 1.00 0.41 H new ATOM 0 HB ILE B 50 -2.153 -8.557 -6.229 1.00 0.43 H new ATOM 0 HG12 ILE B 50 -1.351 -5.635 -5.980 1.00 0.53 H new ATOM 0 HG13 ILE B 50 -0.279 -7.007 -5.782 1.00 0.53 H new ATOM 0 HG21 ILE B 50 -3.451 -7.073 -7.712 1.00 0.47 H new ATOM 0 HG22 ILE B 50 -4.447 -7.721 -6.387 1.00 0.47 H new ATOM 0 HG23 ILE B 50 -3.855 -6.044 -6.318 1.00 0.47 H new ATOM 0 HD11 ILE B 50 -0.020 -6.005 -8.000 1.00 0.62 H new ATOM 0 HD12 ILE B 50 -0.660 -7.660 -8.134 1.00 0.62 H new ATOM 0 HD13 ILE B 50 -1.748 -6.266 -8.335 1.00 0.62 H new ATOM 1628 N GLN B 51 -3.831 -9.576 -4.225 1.00 0.39 N ATOM 1629 CA GLN B 51 -5.008 -10.401 -3.988 1.00 0.43 C ATOM 1630 C GLN B 51 -5.429 -10.331 -2.525 1.00 0.43 C ATOM 1631 O GLN B 51 -6.621 -10.327 -2.207 1.00 0.47 O ATOM 1632 CB GLN B 51 -4.733 -11.852 -4.384 1.00 0.51 C ATOM 1633 CG GLN B 51 -4.170 -12.003 -5.788 1.00 0.78 C ATOM 1634 CD GLN B 51 -5.003 -11.289 -6.836 1.00 1.02 C ATOM 1635 OE1 GLN B 51 -4.772 -10.121 -7.145 1.00 1.84 O ATOM 1636 NE2 GLN B 51 -5.977 -11.983 -7.390 1.00 1.35 N ATOM 0 H GLN B 51 -3.007 -10.096 -4.526 1.00 0.39 H new ATOM 0 HA GLN B 51 -5.821 -10.016 -4.603 1.00 0.43 H new ATOM 0 HB2 GLN B 51 -4.032 -12.288 -3.672 1.00 0.51 H new ATOM 0 HB3 GLN B 51 -5.659 -12.422 -4.310 1.00 0.51 H new ATOM 0 HG2 GLN B 51 -3.153 -11.612 -5.811 1.00 0.78 H new ATOM 0 HG3 GLN B 51 -4.110 -13.062 -6.038 1.00 0.78 H new ATOM 0 HE21 GLN B 51 -6.139 -12.950 -7.108 1.00 1.35 H new ATOM 0 HE22 GLN B 51 -6.569 -11.553 -8.101 1.00 1.35 H new ATOM 1645 N CYS B 52 -4.444 -10.263 -1.642 1.00 0.45 N ATOM 1646 CA CYS B 52 -4.703 -10.169 -0.215 1.00 0.52 C ATOM 1647 C CYS B 52 -5.331 -8.824 0.135 1.00 0.53 C ATOM 1648 O CYS B 52 -6.330 -8.774 0.845 1.00 0.59 O ATOM 1649 CB CYS B 52 -3.410 -10.376 0.568 1.00 0.59 C ATOM 1650 SG CYS B 52 -2.665 -12.002 0.327 1.00 0.69 S ATOM 0 H CYS B 52 -3.455 -10.271 -1.891 1.00 0.45 H new ATOM 0 HA CYS B 52 -5.409 -10.953 0.060 1.00 0.52 H new ATOM 0 HB2 CYS B 52 -2.692 -9.610 0.274 1.00 0.59 H new ATOM 0 HB3 CYS B 52 -3.612 -10.233 1.630 1.00 0.59 H new ATOM 0 HG CYS B 52 -2.122 -12.060 -0.853 1.00 0.69 H new ATOM 1656 N LEU B 53 -4.757 -7.740 -0.382 1.00 0.49 N ATOM 1657 CA LEU B 53 -5.288 -6.400 -0.145 1.00 0.53 C ATOM 1658 C LEU B 53 -6.685 -6.271 -0.743 1.00 0.50 C ATOM 1659 O LEU B 53 -7.579 -5.675 -0.139 1.00 0.57 O ATOM 1660 CB LEU B 53 -4.364 -5.335 -0.749 1.00 0.63 C ATOM 1661 CG LEU B 53 -2.959 -5.260 -0.144 1.00 0.54 C ATOM 1662 CD1 LEU B 53 -2.097 -4.276 -0.919 1.00 0.76 C ATOM 1663 CD2 LEU B 53 -3.027 -4.860 1.323 1.00 0.61 C ATOM 0 H LEU B 53 -3.923 -7.764 -0.969 1.00 0.49 H new ATOM 0 HA LEU B 53 -5.345 -6.243 0.932 1.00 0.53 H new ATOM 0 HB2 LEU B 53 -4.270 -5.525 -1.818 1.00 0.63 H new ATOM 0 HB3 LEU B 53 -4.840 -4.361 -0.639 1.00 0.63 H new ATOM 0 HG LEU B 53 -2.505 -6.249 -0.212 1.00 0.54 H new ATOM 0 HD11 LEU B 53 -1.102 -4.236 -0.475 1.00 0.76 H new ATOM 0 HD12 LEU B 53 -2.018 -4.600 -1.957 1.00 0.76 H new ATOM 0 HD13 LEU B 53 -2.552 -3.286 -0.881 1.00 0.76 H new ATOM 0 HD21 LEU B 53 -2.019 -4.812 1.734 1.00 0.61 H new ATOM 0 HD22 LEU B 53 -3.502 -3.883 1.412 1.00 0.61 H new ATOM 0 HD23 LEU B 53 -3.609 -5.598 1.875 1.00 0.61 H new ATOM 1675 N GLU B 54 -6.859 -6.848 -1.926 1.00 0.46 N ATOM 1676 CA GLU B 54 -8.146 -6.857 -2.609 1.00 0.50 C ATOM 1677 C GLU B 54 -9.207 -7.522 -1.739 1.00 0.56 C ATOM 1678 O GLU B 54 -10.266 -6.947 -1.485 1.00 0.65 O ATOM 1679 CB GLU B 54 -8.009 -7.589 -3.950 1.00 0.55 C ATOM 1680 CG GLU B 54 -9.280 -7.617 -4.780 1.00 0.73 C ATOM 1681 CD GLU B 54 -9.081 -8.270 -6.133 1.00 1.06 C ATOM 1682 OE1 GLU B 54 -8.698 -7.563 -7.089 1.00 1.62 O ATOM 1683 OE2 GLU B 54 -9.311 -9.493 -6.252 1.00 1.66 O ATOM 0 H GLU B 54 -6.114 -7.321 -2.437 1.00 0.46 H new ATOM 0 HA GLU B 54 -8.459 -5.830 -2.796 1.00 0.50 H new ATOM 0 HB2 GLU B 54 -7.220 -7.113 -4.532 1.00 0.55 H new ATOM 0 HB3 GLU B 54 -7.690 -8.614 -3.760 1.00 0.55 H new ATOM 0 HG2 GLU B 54 -10.055 -8.154 -4.233 1.00 0.73 H new ATOM 0 HG3 GLU B 54 -9.639 -6.598 -4.922 1.00 0.73 H new ATOM 1690 N THR B 55 -8.898 -8.719 -1.258 1.00 0.61 N ATOM 1691 CA THR B 55 -9.815 -9.474 -0.416 1.00 0.77 C ATOM 1692 C THR B 55 -9.996 -8.794 0.946 1.00 0.83 C ATOM 1693 O THR B 55 -11.060 -8.874 1.559 1.00 0.98 O ATOM 1694 CB THR B 55 -9.299 -10.914 -0.209 1.00 0.95 C ATOM 1695 OG1 THR B 55 -8.965 -11.499 -1.477 1.00 0.99 O ATOM 1696 CG2 THR B 55 -10.341 -11.777 0.487 1.00 1.15 C ATOM 0 H THR B 55 -8.012 -9.191 -1.439 1.00 0.61 H new ATOM 0 HA THR B 55 -10.780 -9.507 -0.922 1.00 0.77 H new ATOM 0 HB THR B 55 -8.412 -10.867 0.422 1.00 0.95 H new ATOM 0 HG1 THR B 55 -8.107 -11.140 -1.787 1.00 0.99 H new ATOM 0 HG21 THR B 55 -9.949 -12.785 0.619 1.00 1.15 H new ATOM 0 HG22 THR B 55 -10.576 -11.349 1.461 1.00 1.15 H new ATOM 0 HG23 THR B 55 -11.245 -11.816 -0.120 1.00 1.15 H new ATOM 1704 N ALA B 56 -8.949 -8.117 1.402 1.00 0.76 N ATOM 1705 CA ALA B 56 -8.958 -7.457 2.700 1.00 0.87 C ATOM 1706 C ALA B 56 -9.886 -6.251 2.713 1.00 0.88 C ATOM 1707 O ALA B 56 -10.856 -6.213 3.466 1.00 1.14 O ATOM 1708 CB ALA B 56 -7.554 -7.033 3.081 1.00 0.89 C ATOM 0 H ALA B 56 -8.076 -8.011 0.886 1.00 0.76 H new ATOM 0 HA ALA B 56 -9.332 -8.174 3.431 1.00 0.87 H new ATOM 0 HB1 ALA B 56 -7.574 -6.541 4.053 1.00 0.89 H new ATOM 0 HB2 ALA B 56 -6.910 -7.911 3.132 1.00 0.89 H new ATOM 0 HB3 ALA B 56 -7.167 -6.342 2.332 1.00 0.89 H new ATOM 1714 N PHE B 57 -9.596 -5.273 1.869 1.00 0.76 N ATOM 1715 CA PHE B 57 -10.372 -4.048 1.835 1.00 1.05 C ATOM 1716 C PHE B 57 -11.733 -4.274 1.185 1.00 1.57 C ATOM 1717 O PHE B 57 -12.624 -3.426 1.269 1.00 2.06 O ATOM 1718 CB PHE B 57 -9.613 -2.968 1.072 1.00 1.04 C ATOM 1719 CG PHE B 57 -8.388 -2.443 1.771 1.00 0.92 C ATOM 1720 CD1 PHE B 57 -7.163 -3.076 1.629 1.00 1.47 C ATOM 1721 CD2 PHE B 57 -8.458 -1.298 2.545 1.00 1.49 C ATOM 1722 CE1 PHE B 57 -6.032 -2.572 2.244 1.00 1.47 C ATOM 1723 CE2 PHE B 57 -7.332 -0.794 3.167 1.00 1.50 C ATOM 1724 CZ PHE B 57 -6.117 -1.430 3.013 1.00 0.92 C ATOM 0 H PHE B 57 -8.828 -5.306 1.199 1.00 0.76 H new ATOM 0 HA PHE B 57 -10.532 -3.724 2.863 1.00 1.05 H new ATOM 0 HB2 PHE B 57 -9.317 -3.368 0.102 1.00 1.04 H new ATOM 0 HB3 PHE B 57 -10.289 -2.135 0.880 1.00 1.04 H new ATOM 0 HD1 PHE B 57 -7.091 -3.973 1.031 1.00 1.47 H new ATOM 0 HD2 PHE B 57 -9.405 -0.792 2.664 1.00 1.49 H new ATOM 0 HE1 PHE B 57 -5.083 -3.072 2.122 1.00 1.47 H new ATOM 0 HE2 PHE B 57 -7.403 0.097 3.773 1.00 1.50 H new ATOM 0 HZ PHE B 57 -5.234 -1.034 3.494 1.00 0.92 H new ATOM 1734 N GLY B 58 -11.881 -5.425 0.538 1.00 1.71 N ATOM 1735 CA GLY B 58 -13.120 -5.749 -0.138 1.00 2.29 C ATOM 1736 C GLY B 58 -13.300 -4.926 -1.389 1.00 2.05 C ATOM 1737 O GLY B 58 -14.414 -4.539 -1.735 1.00 2.60 O ATOM 0 H GLY B 58 -11.159 -6.142 0.471 1.00 1.71 H new ATOM 0 HA2 GLY B 58 -13.129 -6.808 -0.394 1.00 2.29 H new ATOM 0 HA3 GLY B 58 -13.959 -5.576 0.536 1.00 2.29 H new ATOM 1741 N VAL B 59 -12.197 -4.663 -2.072 1.00 1.35 N ATOM 1742 CA VAL B 59 -12.211 -3.798 -3.239 1.00 1.13 C ATOM 1743 C VAL B 59 -12.161 -4.607 -4.524 1.00 1.04 C ATOM 1744 O VAL B 59 -11.650 -5.725 -4.549 1.00 1.22 O ATOM 1745 CB VAL B 59 -11.041 -2.792 -3.218 1.00 0.93 C ATOM 1746 CG1 VAL B 59 -11.193 -1.836 -2.056 1.00 1.23 C ATOM 1747 CG2 VAL B 59 -9.699 -3.502 -3.135 1.00 1.00 C ATOM 0 H VAL B 59 -11.278 -5.038 -1.836 1.00 1.35 H new ATOM 0 HA VAL B 59 -13.147 -3.241 -3.205 1.00 1.13 H new ATOM 0 HB VAL B 59 -11.069 -2.230 -4.152 1.00 0.93 H new ATOM 0 HG11 VAL B 59 -10.361 -1.132 -2.053 1.00 1.23 H new ATOM 0 HG12 VAL B 59 -12.131 -1.289 -2.155 1.00 1.23 H new ATOM 0 HG13 VAL B 59 -11.197 -2.397 -1.121 1.00 1.23 H new ATOM 0 HG21 VAL B 59 -8.897 -2.764 -3.122 1.00 1.00 H new ATOM 0 HG22 VAL B 59 -9.658 -4.098 -2.223 1.00 1.00 H new ATOM 0 HG23 VAL B 59 -9.578 -4.154 -4.000 1.00 1.00 H new ATOM 1757 N THR B 60 -12.711 -4.037 -5.579 1.00 1.17 N ATOM 1758 CA THR B 60 -12.720 -4.668 -6.885 1.00 1.30 C ATOM 1759 C THR B 60 -12.455 -3.624 -7.961 1.00 1.16 C ATOM 1760 O THR B 60 -12.108 -2.484 -7.647 1.00 1.14 O ATOM 1761 CB THR B 60 -14.066 -5.362 -7.173 1.00 1.94 C ATOM 1762 OG1 THR B 60 -15.141 -4.439 -6.960 1.00 2.24 O ATOM 1763 CG2 THR B 60 -14.255 -6.590 -6.296 1.00 2.38 C ATOM 0 H THR B 60 -13.164 -3.124 -5.555 1.00 1.17 H new ATOM 0 HA THR B 60 -11.937 -5.426 -6.893 1.00 1.30 H new ATOM 0 HB THR B 60 -14.064 -5.689 -8.213 1.00 1.94 H new ATOM 0 HG1 THR B 60 -15.995 -4.883 -7.146 1.00 2.24 H new ATOM 0 HG21 THR B 60 -15.214 -7.056 -6.524 1.00 2.38 H new ATOM 0 HG22 THR B 60 -13.451 -7.301 -6.487 1.00 2.38 H new ATOM 0 HG23 THR B 60 -14.236 -6.294 -5.247 1.00 2.38 H new ATOM 1771 N VAL B 61 -12.614 -3.997 -9.220 1.00 1.40 N ATOM 1772 CA VAL B 61 -12.482 -3.045 -10.315 1.00 1.59 C ATOM 1773 C VAL B 61 -13.600 -1.989 -10.248 1.00 1.83 C ATOM 1774 O VAL B 61 -13.530 -0.936 -10.883 1.00 2.11 O ATOM 1775 CB VAL B 61 -12.483 -3.768 -11.682 1.00 1.80 C ATOM 1776 CG1 VAL B 61 -13.802 -4.489 -11.920 1.00 2.21 C ATOM 1777 CG2 VAL B 61 -12.181 -2.799 -12.817 1.00 1.95 C ATOM 0 H VAL B 61 -12.834 -4.950 -9.511 1.00 1.40 H new ATOM 0 HA VAL B 61 -11.524 -2.535 -10.211 1.00 1.59 H new ATOM 0 HB VAL B 61 -11.690 -4.516 -11.661 1.00 1.80 H new ATOM 0 HG11 VAL B 61 -13.774 -4.988 -12.889 1.00 2.21 H new ATOM 0 HG12 VAL B 61 -13.959 -5.229 -11.135 1.00 2.21 H new ATOM 0 HG13 VAL B 61 -14.619 -3.767 -11.907 1.00 2.21 H new ATOM 0 HG21 VAL B 61 -12.188 -3.336 -13.766 1.00 1.95 H new ATOM 0 HG22 VAL B 61 -12.938 -2.015 -12.838 1.00 1.95 H new ATOM 0 HG23 VAL B 61 -11.200 -2.351 -12.661 1.00 1.95 H new ATOM 1787 N GLU B 62 -14.617 -2.259 -9.435 1.00 1.89 N ATOM 1788 CA GLU B 62 -15.683 -1.292 -9.201 1.00 2.15 C ATOM 1789 C GLU B 62 -15.130 -0.046 -8.515 1.00 1.63 C ATOM 1790 O GLU B 62 -15.693 1.045 -8.619 1.00 1.65 O ATOM 1791 CB GLU B 62 -16.794 -1.915 -8.353 1.00 2.86 C ATOM 1792 CG GLU B 62 -17.461 -3.103 -9.021 1.00 3.13 C ATOM 1793 CD GLU B 62 -17.964 -2.774 -10.410 1.00 3.56 C ATOM 1794 OE1 GLU B 62 -19.036 -2.146 -10.528 1.00 4.00 O ATOM 1795 OE2 GLU B 62 -17.286 -3.133 -11.393 1.00 3.97 O ATOM 0 H GLU B 62 -14.725 -3.138 -8.928 1.00 1.89 H new ATOM 0 HA GLU B 62 -16.103 -1.002 -10.164 1.00 2.15 H new ATOM 0 HB2 GLU B 62 -16.378 -2.231 -7.396 1.00 2.86 H new ATOM 0 HB3 GLU B 62 -17.547 -1.157 -8.139 1.00 2.86 H new ATOM 0 HG2 GLU B 62 -16.752 -3.929 -9.080 1.00 3.13 H new ATOM 0 HG3 GLU B 62 -18.295 -3.442 -8.406 1.00 3.13 H new ATOM 1802 N ASP B 63 -14.002 -0.212 -7.836 1.00 1.36 N ATOM 1803 CA ASP B 63 -13.335 0.909 -7.190 1.00 1.61 C ATOM 1804 C ASP B 63 -12.684 1.791 -8.252 1.00 1.59 C ATOM 1805 O ASP B 63 -12.385 2.959 -8.018 1.00 1.93 O ATOM 1806 CB ASP B 63 -12.288 0.409 -6.194 1.00 1.89 C ATOM 1807 CG ASP B 63 -12.148 1.325 -4.994 1.00 2.88 C ATOM 1808 OD1 ASP B 63 -11.335 2.268 -5.046 1.00 3.62 O ATOM 1809 OD2 ASP B 63 -12.861 1.097 -3.992 1.00 3.35 O ATOM 0 H ASP B 63 -13.532 -1.110 -7.719 1.00 1.36 H new ATOM 0 HA ASP B 63 -14.071 1.494 -6.639 1.00 1.61 H new ATOM 0 HB2 ASP B 63 -12.561 -0.590 -5.855 1.00 1.89 H new ATOM 0 HB3 ASP B 63 -11.325 0.323 -6.696 1.00 1.89 H new ATOM 1814 N SER B 64 -12.493 1.222 -9.441 1.00 1.56 N ATOM 1815 CA SER B 64 -11.963 1.966 -10.572 1.00 1.82 C ATOM 1816 C SER B 64 -13.059 2.841 -11.162 1.00 1.73 C ATOM 1817 O SER B 64 -12.792 3.885 -11.754 1.00 1.91 O ATOM 1818 CB SER B 64 -11.415 1.015 -11.641 1.00 2.42 C ATOM 1819 OG SER B 64 -10.643 1.715 -12.603 1.00 2.92 O ATOM 0 H SER B 64 -12.700 0.244 -9.642 1.00 1.56 H new ATOM 0 HA SER B 64 -11.143 2.595 -10.225 1.00 1.82 H new ATOM 0 HB2 SER B 64 -10.803 0.247 -11.169 1.00 2.42 H new ATOM 0 HB3 SER B 64 -12.241 0.505 -12.136 1.00 2.42 H new ATOM 0 HG SER B 64 -9.928 2.210 -12.151 1.00 2.92 H new ATOM 1825 N ASP B 65 -14.302 2.404 -10.996 1.00 1.68 N ATOM 1826 CA ASP B 65 -15.451 3.208 -11.398 1.00 2.03 C ATOM 1827 C ASP B 65 -15.492 4.502 -10.589 1.00 1.91 C ATOM 1828 O ASP B 65 -15.807 5.573 -11.113 1.00 2.28 O ATOM 1829 CB ASP B 65 -16.755 2.429 -11.208 1.00 2.26 C ATOM 1830 CG ASP B 65 -17.980 3.235 -11.598 1.00 2.89 C ATOM 1831 OD1 ASP B 65 -18.335 3.242 -12.795 1.00 3.35 O ATOM 1832 OD2 ASP B 65 -18.596 3.861 -10.709 1.00 3.46 O ATOM 0 H ASP B 65 -14.540 1.500 -10.587 1.00 1.68 H new ATOM 0 HA ASP B 65 -15.347 3.450 -12.456 1.00 2.03 H new ATOM 0 HB2 ASP B 65 -16.719 1.518 -11.805 1.00 2.26 H new ATOM 0 HB3 ASP B 65 -16.843 2.124 -10.165 1.00 2.26 H new ATOM 1837 N LEU B 66 -15.145 4.397 -9.310 1.00 1.52 N ATOM 1838 CA LEU B 66 -15.116 5.558 -8.424 1.00 1.62 C ATOM 1839 C LEU B 66 -13.693 6.095 -8.250 1.00 1.45 C ATOM 1840 O LEU B 66 -13.408 6.833 -7.304 1.00 1.72 O ATOM 1841 CB LEU B 66 -15.738 5.199 -7.062 1.00 1.77 C ATOM 1842 CG LEU B 66 -15.111 4.007 -6.328 1.00 1.59 C ATOM 1843 CD1 LEU B 66 -13.973 4.454 -5.422 1.00 1.87 C ATOM 1844 CD2 LEU B 66 -16.164 3.262 -5.524 1.00 1.57 C ATOM 0 H LEU B 66 -14.880 3.520 -8.863 1.00 1.52 H new ATOM 0 HA LEU B 66 -15.708 6.350 -8.882 1.00 1.62 H new ATOM 0 HB2 LEU B 66 -15.674 6.073 -6.414 1.00 1.77 H new ATOM 0 HB3 LEU B 66 -16.797 4.991 -7.213 1.00 1.77 H new ATOM 0 HG LEU B 66 -14.700 3.332 -7.079 1.00 1.59 H new ATOM 0 HD11 LEU B 66 -13.549 3.587 -4.916 1.00 1.87 H new ATOM 0 HD12 LEU B 66 -13.201 4.939 -6.020 1.00 1.87 H new ATOM 0 HD13 LEU B 66 -14.353 5.157 -4.681 1.00 1.87 H new ATOM 0 HD21 LEU B 66 -15.701 2.420 -5.010 1.00 1.57 H new ATOM 0 HD22 LEU B 66 -16.606 3.936 -4.790 1.00 1.57 H new ATOM 0 HD23 LEU B 66 -16.941 2.895 -6.194 1.00 1.57 H new ATOM 1856 N ALA B 67 -12.814 5.742 -9.188 1.00 1.30 N ATOM 1857 CA ALA B 67 -11.402 6.112 -9.118 1.00 1.26 C ATOM 1858 C ALA B 67 -11.207 7.617 -8.995 1.00 1.28 C ATOM 1859 O ALA B 67 -11.954 8.404 -9.577 1.00 1.54 O ATOM 1860 CB ALA B 67 -10.670 5.605 -10.344 1.00 1.48 C ATOM 0 H ALA B 67 -13.060 5.195 -10.013 1.00 1.30 H new ATOM 0 HA ALA B 67 -10.992 5.649 -8.221 1.00 1.26 H new ATOM 0 HB1 ALA B 67 -9.619 5.886 -10.282 1.00 1.48 H new ATOM 0 HB2 ALA B 67 -10.753 4.519 -10.394 1.00 1.48 H new ATOM 0 HB3 ALA B 67 -11.111 6.045 -11.239 1.00 1.48 H new ATOM 1866 N LEU B 68 -10.193 8.002 -8.230 1.00 1.16 N ATOM 1867 CA LEU B 68 -9.841 9.404 -8.055 1.00 1.29 C ATOM 1868 C LEU B 68 -9.131 9.926 -9.301 1.00 1.56 C ATOM 1869 O LEU B 68 -8.605 9.129 -10.080 1.00 1.55 O ATOM 1870 CB LEU B 68 -8.942 9.567 -6.823 1.00 1.25 C ATOM 1871 CG LEU B 68 -9.595 9.205 -5.488 1.00 1.19 C ATOM 1872 CD1 LEU B 68 -8.577 9.281 -4.361 1.00 1.21 C ATOM 1873 CD2 LEU B 68 -10.773 10.127 -5.203 1.00 1.18 C ATOM 0 H LEU B 68 -9.595 7.355 -7.716 1.00 1.16 H new ATOM 0 HA LEU B 68 -10.752 9.983 -7.905 1.00 1.29 H new ATOM 0 HB2 LEU B 68 -8.055 8.947 -6.955 1.00 1.25 H new ATOM 0 HB3 LEU B 68 -8.603 10.602 -6.775 1.00 1.25 H new ATOM 0 HG LEU B 68 -9.965 8.182 -5.552 1.00 1.19 H new ATOM 0 HD11 LEU B 68 -9.058 9.021 -3.418 1.00 1.21 H new ATOM 0 HD12 LEU B 68 -7.763 8.583 -4.558 1.00 1.21 H new ATOM 0 HD13 LEU B 68 -8.179 10.294 -4.298 1.00 1.21 H new ATOM 0 HD21 LEU B 68 -11.226 9.855 -4.249 1.00 1.18 H new ATOM 0 HD22 LEU B 68 -10.425 11.159 -5.158 1.00 1.18 H new ATOM 0 HD23 LEU B 68 -11.513 10.028 -5.997 1.00 1.18 H new ATOM 1885 N PRO B 69 -9.114 11.259 -9.514 1.00 1.93 N ATOM 1886 CA PRO B 69 -8.513 11.874 -10.707 1.00 2.36 C ATOM 1887 C PRO B 69 -7.146 11.290 -11.065 1.00 2.25 C ATOM 1888 O PRO B 69 -6.890 10.952 -12.221 1.00 2.62 O ATOM 1889 CB PRO B 69 -8.378 13.339 -10.305 1.00 2.75 C ATOM 1890 CG PRO B 69 -9.511 13.568 -9.368 1.00 2.57 C ATOM 1891 CD PRO B 69 -9.693 12.278 -8.612 1.00 2.06 C ATOM 0 HA PRO B 69 -9.120 11.704 -11.596 1.00 2.36 H new ATOM 0 HB2 PRO B 69 -7.419 13.533 -9.825 1.00 2.75 H new ATOM 0 HB3 PRO B 69 -8.439 13.997 -11.172 1.00 2.75 H new ATOM 0 HG2 PRO B 69 -9.294 14.391 -8.688 1.00 2.57 H new ATOM 0 HG3 PRO B 69 -10.418 13.833 -9.911 1.00 2.57 H new ATOM 0 HD2 PRO B 69 -9.179 12.301 -7.651 1.00 2.06 H new ATOM 0 HD3 PRO B 69 -10.745 12.079 -8.406 1.00 2.06 H new ATOM 1899 N GLN B 70 -6.282 11.159 -10.072 1.00 1.85 N ATOM 1900 CA GLN B 70 -4.960 10.595 -10.286 1.00 1.82 C ATOM 1901 C GLN B 70 -4.768 9.380 -9.401 1.00 1.41 C ATOM 1902 O GLN B 70 -5.456 9.224 -8.390 1.00 1.29 O ATOM 1903 CB GLN B 70 -3.879 11.636 -9.989 1.00 1.93 C ATOM 1904 CG GLN B 70 -3.757 12.011 -8.518 1.00 1.65 C ATOM 1905 CD GLN B 70 -2.933 13.264 -8.322 1.00 2.18 C ATOM 1906 OE1 GLN B 70 -1.712 13.206 -8.183 1.00 2.66 O ATOM 1907 NE2 GLN B 70 -3.594 14.408 -8.306 1.00 2.76 N ATOM 0 H GLN B 70 -6.473 11.436 -9.109 1.00 1.85 H new ATOM 0 HA GLN B 70 -4.874 10.294 -11.330 1.00 1.82 H new ATOM 0 HB2 GLN B 70 -2.919 11.254 -10.335 1.00 1.93 H new ATOM 0 HB3 GLN B 70 -4.091 12.537 -10.565 1.00 1.93 H new ATOM 0 HG2 GLN B 70 -4.752 12.161 -8.098 1.00 1.65 H new ATOM 0 HG3 GLN B 70 -3.301 11.187 -7.970 1.00 1.65 H new ATOM 0 HE21 GLN B 70 -4.607 14.413 -8.425 1.00 2.76 H new ATOM 0 HE22 GLN B 70 -3.091 15.286 -8.175 1.00 2.76 H new ATOM 1916 N THR B 71 -3.846 8.514 -9.783 1.00 1.34 N ATOM 1917 CA THR B 71 -3.536 7.362 -8.967 1.00 1.13 C ATOM 1918 C THR B 71 -2.703 7.789 -7.765 1.00 0.85 C ATOM 1919 O THR B 71 -1.834 8.660 -7.859 1.00 0.83 O ATOM 1920 CB THR B 71 -2.778 6.302 -9.792 1.00 1.22 C ATOM 1921 OG1 THR B 71 -1.958 6.942 -10.782 1.00 1.53 O ATOM 1922 CG2 THR B 71 -3.745 5.342 -10.468 1.00 1.55 C ATOM 0 H THR B 71 -3.306 8.588 -10.645 1.00 1.34 H new ATOM 0 HA THR B 71 -4.469 6.920 -8.616 1.00 1.13 H new ATOM 0 HB THR B 71 -2.146 5.732 -9.111 1.00 1.22 H new ATOM 0 HG1 THR B 71 -1.479 6.262 -11.300 1.00 1.53 H new ATOM 0 HG21 THR B 71 -3.184 4.605 -11.043 1.00 1.55 H new ATOM 0 HG22 THR B 71 -4.342 4.834 -9.711 1.00 1.55 H new ATOM 0 HG23 THR B 71 -4.403 5.898 -11.135 1.00 1.55 H new ATOM 1930 N LEU B 72 -2.959 7.132 -6.642 1.00 0.80 N ATOM 1931 CA LEU B 72 -2.330 7.482 -5.378 1.00 0.66 C ATOM 1932 C LEU B 72 -0.832 7.177 -5.355 1.00 0.66 C ATOM 1933 O LEU B 72 -0.078 7.980 -4.834 1.00 0.67 O ATOM 1934 CB LEU B 72 -3.033 6.792 -4.203 1.00 0.78 C ATOM 1935 CG LEU B 72 -4.392 7.379 -3.803 1.00 0.97 C ATOM 1936 CD1 LEU B 72 -4.318 8.896 -3.731 1.00 1.47 C ATOM 1937 CD2 LEU B 72 -5.486 6.938 -4.761 1.00 1.79 C ATOM 0 H LEU B 72 -3.605 6.345 -6.582 1.00 0.80 H new ATOM 0 HA LEU B 72 -2.438 8.561 -5.272 1.00 0.66 H new ATOM 0 HB2 LEU B 72 -3.172 5.740 -4.454 1.00 0.78 H new ATOM 0 HB3 LEU B 72 -2.373 6.829 -3.336 1.00 0.78 H new ATOM 0 HG LEU B 72 -4.644 6.998 -2.813 1.00 0.97 H new ATOM 0 HD11 LEU B 72 -5.292 9.295 -3.446 1.00 1.47 H new ATOM 0 HD12 LEU B 72 -3.575 9.189 -2.990 1.00 1.47 H new ATOM 0 HD13 LEU B 72 -4.035 9.293 -4.706 1.00 1.47 H new ATOM 0 HD21 LEU B 72 -6.437 7.370 -4.451 1.00 1.79 H new ATOM 0 HD22 LEU B 72 -5.245 7.276 -5.769 1.00 1.79 H new ATOM 0 HD23 LEU B 72 -5.561 5.851 -4.751 1.00 1.79 H new ATOM 1949 N PRO B 73 -0.370 6.019 -5.879 1.00 0.75 N ATOM 1950 CA PRO B 73 1.066 5.708 -5.961 1.00 0.84 C ATOM 1951 C PRO B 73 1.923 6.862 -6.491 1.00 0.80 C ATOM 1952 O PRO B 73 3.056 7.041 -6.051 1.00 0.82 O ATOM 1953 CB PRO B 73 1.102 4.525 -6.917 1.00 1.03 C ATOM 1954 CG PRO B 73 -0.171 3.814 -6.642 1.00 1.06 C ATOM 1955 CD PRO B 73 -1.185 4.888 -6.370 1.00 0.84 C ATOM 0 HA PRO B 73 1.487 5.507 -4.976 1.00 0.84 H new ATOM 0 HB2 PRO B 73 1.163 4.851 -7.955 1.00 1.03 H new ATOM 0 HB3 PRO B 73 1.966 3.886 -6.732 1.00 1.03 H new ATOM 0 HG2 PRO B 73 -0.469 3.201 -7.492 1.00 1.06 H new ATOM 0 HG3 PRO B 73 -0.069 3.146 -5.787 1.00 1.06 H new ATOM 0 HD2 PRO B 73 -1.739 5.154 -7.270 1.00 0.84 H new ATOM 0 HD3 PRO B 73 -1.917 4.570 -5.628 1.00 0.84 H new ATOM 1963 N GLU B 74 1.382 7.647 -7.419 1.00 0.78 N ATOM 1964 CA GLU B 74 2.104 8.804 -7.936 1.00 0.78 C ATOM 1965 C GLU B 74 2.218 9.872 -6.851 1.00 0.64 C ATOM 1966 O GLU B 74 3.286 10.446 -6.636 1.00 0.64 O ATOM 1967 CB GLU B 74 1.410 9.377 -9.170 1.00 0.86 C ATOM 1968 CG GLU B 74 2.204 10.484 -9.839 1.00 1.21 C ATOM 1969 CD GLU B 74 1.507 11.047 -11.052 1.00 1.47 C ATOM 1970 OE1 GLU B 74 1.590 10.424 -12.132 1.00 2.27 O ATOM 1971 OE2 GLU B 74 0.889 12.123 -10.941 1.00 1.67 O ATOM 0 H GLU B 74 0.457 7.505 -7.824 1.00 0.78 H new ATOM 0 HA GLU B 74 3.103 8.483 -8.230 1.00 0.78 H new ATOM 0 HB2 GLU B 74 1.239 8.575 -9.888 1.00 0.86 H new ATOM 0 HB3 GLU B 74 0.431 9.762 -8.883 1.00 0.86 H new ATOM 0 HG2 GLU B 74 2.379 11.285 -9.121 1.00 1.21 H new ATOM 0 HG3 GLU B 74 3.181 10.099 -10.132 1.00 1.21 H new ATOM 1978 N ILE B 75 1.109 10.119 -6.159 1.00 0.58 N ATOM 1979 CA ILE B 75 1.107 10.998 -4.994 1.00 0.53 C ATOM 1980 C ILE B 75 2.076 10.467 -3.949 1.00 0.49 C ATOM 1981 O ILE B 75 2.799 11.225 -3.301 1.00 0.53 O ATOM 1982 CB ILE B 75 -0.301 11.103 -4.364 1.00 0.60 C ATOM 1983 CG1 ILE B 75 -1.273 11.767 -5.341 1.00 0.74 C ATOM 1984 CG2 ILE B 75 -0.254 11.866 -3.044 1.00 0.68 C ATOM 1985 CD1 ILE B 75 -2.663 11.963 -4.776 1.00 1.37 C ATOM 0 H ILE B 75 0.198 9.721 -6.386 1.00 0.58 H new ATOM 0 HA ILE B 75 1.413 11.990 -5.327 1.00 0.53 H new ATOM 0 HB ILE B 75 -0.657 10.095 -4.154 1.00 0.60 H new ATOM 0 HG12 ILE B 75 -0.871 12.736 -5.638 1.00 0.74 H new ATOM 0 HG13 ILE B 75 -1.339 11.159 -6.243 1.00 0.74 H new ATOM 0 HG21 ILE B 75 -1.257 11.925 -2.622 1.00 0.68 H new ATOM 0 HG22 ILE B 75 0.403 11.346 -2.346 1.00 0.68 H new ATOM 0 HG23 ILE B 75 0.126 12.872 -3.219 1.00 0.68 H new ATOM 0 HD11 ILE B 75 -3.296 12.439 -5.525 1.00 1.37 H new ATOM 0 HD12 ILE B 75 -3.085 10.995 -4.505 1.00 1.37 H new ATOM 0 HD13 ILE B 75 -2.610 12.596 -3.890 1.00 1.37 H new ATOM 1997 N PHE B 76 2.099 9.151 -3.811 1.00 0.50 N ATOM 1998 CA PHE B 76 2.982 8.499 -2.862 1.00 0.56 C ATOM 1999 C PHE B 76 4.435 8.778 -3.219 1.00 0.59 C ATOM 2000 O PHE B 76 5.284 8.887 -2.347 1.00 0.72 O ATOM 2001 CB PHE B 76 2.741 6.985 -2.824 1.00 0.65 C ATOM 2002 CG PHE B 76 1.353 6.575 -2.407 1.00 2.06 C ATOM 2003 CD1 PHE B 76 0.442 7.502 -1.920 1.00 2.12 C ATOM 2004 CD2 PHE B 76 0.961 5.250 -2.506 1.00 2.34 C ATOM 2005 CE1 PHE B 76 -0.827 7.114 -1.544 1.00 2.24 C ATOM 2006 CE2 PHE B 76 -0.307 4.857 -2.129 1.00 2.35 C ATOM 2007 CZ PHE B 76 -1.201 5.789 -1.646 1.00 2.37 C ATOM 0 H PHE B 76 1.512 8.512 -4.348 1.00 0.50 H new ATOM 0 HA PHE B 76 2.766 8.905 -1.874 1.00 0.56 H new ATOM 0 HB2 PHE B 76 2.944 6.574 -3.813 1.00 0.65 H new ATOM 0 HB3 PHE B 76 3.459 6.534 -2.139 1.00 0.65 H new ATOM 0 HD1 PHE B 76 0.730 8.539 -1.834 1.00 2.12 H new ATOM 0 HD2 PHE B 76 1.657 4.515 -2.883 1.00 2.34 H new ATOM 0 HE1 PHE B 76 -1.527 7.846 -1.170 1.00 2.24 H new ATOM 0 HE2 PHE B 76 -0.599 3.820 -2.212 1.00 2.35 H new ATOM 0 HZ PHE B 76 -2.193 5.483 -1.348 1.00 2.37 H new ATOM 2017 N GLU B 77 4.719 8.910 -4.506 1.00 0.62 N ATOM 2018 CA GLU B 77 6.072 9.198 -4.953 1.00 0.73 C ATOM 2019 C GLU B 77 6.431 10.662 -4.714 1.00 0.69 C ATOM 2020 O GLU B 77 7.598 11.040 -4.750 1.00 0.79 O ATOM 2021 CB GLU B 77 6.255 8.811 -6.420 1.00 0.89 C ATOM 2022 CG GLU B 77 6.196 7.305 -6.638 1.00 1.56 C ATOM 2023 CD GLU B 77 6.558 6.889 -8.046 1.00 1.93 C ATOM 2024 OE1 GLU B 77 7.375 7.582 -8.686 1.00 2.40 O ATOM 2025 OE2 GLU B 77 6.062 5.839 -8.504 1.00 2.51 O ATOM 0 H GLU B 77 4.033 8.823 -5.256 1.00 0.62 H new ATOM 0 HA GLU B 77 6.759 8.592 -4.362 1.00 0.73 H new ATOM 0 HB2 GLU B 77 5.481 9.292 -7.018 1.00 0.89 H new ATOM 0 HB3 GLU B 77 7.214 9.189 -6.775 1.00 0.89 H new ATOM 0 HG2 GLU B 77 6.873 6.817 -5.937 1.00 1.56 H new ATOM 0 HG3 GLU B 77 5.191 6.951 -6.409 1.00 1.56 H new ATOM 2032 N ALA B 78 5.421 11.487 -4.484 1.00 0.60 N ATOM 2033 CA ALA B 78 5.644 12.876 -4.113 1.00 0.61 C ATOM 2034 C ALA B 78 5.784 13.023 -2.596 1.00 0.60 C ATOM 2035 O ALA B 78 6.563 13.843 -2.106 1.00 0.64 O ATOM 2036 CB ALA B 78 4.515 13.752 -4.636 1.00 0.64 C ATOM 0 H ALA B 78 4.439 11.219 -4.548 1.00 0.60 H new ATOM 0 HA ALA B 78 6.578 13.205 -4.569 1.00 0.61 H new ATOM 0 HB1 ALA B 78 4.696 14.788 -4.350 1.00 0.64 H new ATOM 0 HB2 ALA B 78 4.470 13.678 -5.723 1.00 0.64 H new ATOM 0 HB3 ALA B 78 3.569 13.419 -4.210 1.00 0.64 H new ATOM 2042 N ALA B 79 5.018 12.225 -1.859 1.00 0.64 N ATOM 2043 CA ALA B 79 4.982 12.316 -0.400 1.00 0.75 C ATOM 2044 C ALA B 79 5.999 11.387 0.271 1.00 0.86 C ATOM 2045 O ALA B 79 6.803 11.822 1.095 1.00 0.99 O ATOM 2046 CB ALA B 79 3.579 12.008 0.100 1.00 0.83 C ATOM 0 H ALA B 79 4.410 11.504 -2.249 1.00 0.64 H new ATOM 0 HA ALA B 79 5.256 13.336 -0.129 1.00 0.75 H new ATOM 0 HB1 ALA B 79 3.557 12.077 1.188 1.00 0.83 H new ATOM 0 HB2 ALA B 79 2.876 12.726 -0.323 1.00 0.83 H new ATOM 0 HB3 ALA B 79 3.297 11.000 -0.205 1.00 0.83 H new ATOM 2052 N ALA B 80 5.969 10.112 -0.102 1.00 0.90 N ATOM 2053 CA ALA B 80 6.775 9.081 0.554 1.00 1.11 C ATOM 2054 C ALA B 80 8.265 9.233 0.248 1.00 1.26 C ATOM 2055 O ALA B 80 9.103 8.574 0.861 1.00 1.55 O ATOM 2056 CB ALA B 80 6.270 7.691 0.179 1.00 1.25 C ATOM 0 H ALA B 80 5.389 9.762 -0.864 1.00 0.90 H new ATOM 0 HA ALA B 80 6.663 9.210 1.630 1.00 1.11 H new ATOM 0 HB1 ALA B 80 6.880 6.936 0.675 1.00 1.25 H new ATOM 0 HB2 ALA B 80 5.232 7.584 0.495 1.00 1.25 H new ATOM 0 HB3 ALA B 80 6.336 7.559 -0.901 1.00 1.25 H new ATOM 2062 N THR B 81 8.592 10.081 -0.720 1.00 1.23 N ATOM 2063 CA THR B 81 9.982 10.392 -1.017 1.00 1.46 C ATOM 2064 C THR B 81 10.585 11.273 0.071 1.00 1.63 C ATOM 2065 O THR B 81 11.804 11.362 0.209 1.00 1.88 O ATOM 2066 CB THR B 81 10.113 11.101 -2.374 1.00 1.59 C ATOM 2067 OG1 THR B 81 8.945 11.896 -2.614 1.00 2.33 O ATOM 2068 CG2 THR B 81 10.301 10.097 -3.501 1.00 1.64 C ATOM 0 H THR B 81 7.914 10.564 -1.310 1.00 1.23 H new ATOM 0 HA THR B 81 10.525 9.448 -1.057 1.00 1.46 H new ATOM 0 HB THR B 81 10.993 11.743 -2.345 1.00 1.59 H new ATOM 0 HG1 THR B 81 8.354 11.428 -3.240 1.00 2.33 H new ATOM 0 HG21 THR B 81 10.391 10.627 -4.449 1.00 1.64 H new ATOM 0 HG22 THR B 81 11.206 9.516 -3.323 1.00 1.64 H new ATOM 0 HG23 THR B 81 9.441 9.428 -3.539 1.00 1.64 H new ATOM 2076 N GLY B 82 9.718 11.914 0.845 1.00 1.68 N ATOM 2077 CA GLY B 82 10.167 12.783 1.910 1.00 2.13 C ATOM 2078 C GLY B 82 9.365 14.065 1.963 1.00 1.99 C ATOM 2079 O GLY B 82 9.472 14.907 1.069 1.00 2.59 O ATOM 0 H GLY B 82 8.705 11.845 0.751 1.00 1.68 H new ATOM 0 HA2 GLY B 82 10.084 12.262 2.864 1.00 2.13 H new ATOM 0 HA3 GLY B 82 11.221 13.019 1.767 1.00 2.13 H new ATOM 2083 N LYS B 83 8.543 14.207 2.992 1.00 1.88 N ATOM 2084 CA LYS B 83 7.755 15.414 3.168 1.00 2.11 C ATOM 2085 C LYS B 83 8.506 16.367 4.092 1.00 2.84 C ATOM 2086 O LYS B 83 8.326 16.270 5.324 1.00 3.19 O ATOM 2087 CB LYS B 83 6.368 15.079 3.743 1.00 2.30 C ATOM 2088 CG LYS B 83 5.254 16.028 3.295 1.00 2.77 C ATOM 2089 CD LYS B 83 5.500 17.471 3.725 1.00 3.43 C ATOM 2090 CE LYS B 83 5.277 17.674 5.218 1.00 3.92 C ATOM 2091 NZ LYS B 83 3.837 17.595 5.585 1.00 4.40 N ATOM 2092 OXT LYS B 83 9.290 17.192 3.583 1.00 3.61 O ATOM 0 H LYS B 83 8.406 13.502 3.716 1.00 1.88 H new ATOM 0 HA LYS B 83 7.605 15.892 2.200 1.00 2.11 H new ATOM 0 HB2 LYS B 83 6.103 14.063 3.451 1.00 2.30 H new ATOM 0 HB3 LYS B 83 6.426 15.094 4.831 1.00 2.30 H new ATOM 0 HG2 LYS B 83 5.163 15.987 2.210 1.00 2.77 H new ATOM 0 HG3 LYS B 83 4.304 15.687 3.708 1.00 2.77 H new ATOM 0 HD2 LYS B 83 6.521 17.755 3.470 1.00 3.43 H new ATOM 0 HD3 LYS B 83 4.837 18.132 3.167 1.00 3.43 H new ATOM 0 HE2 LYS B 83 5.834 16.919 5.773 1.00 3.92 H new ATOM 0 HE3 LYS B 83 5.673 18.645 5.515 1.00 3.92 H new ATOM 0 HZ1 LYS B 83 3.712 17.904 6.570 1.00 4.40 H new ATOM 0 HZ2 LYS B 83 3.284 18.212 4.956 1.00 4.40 H new ATOM 0 HZ3 LYS B 83 3.507 16.614 5.486 1.00 4.40 H new TER 2106 LYS B 83