USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1037 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 LYS NZ :NH3+ -174:sc= 0.961 (180deg=-0.193) USER MOD Set 1.2: B 32 GLN : amide:sc= -0.556 K(o=0.4,f=-4) USER MOD Set 2.1: A 81 THR OG1 : rot 180:sc= 0.00223 USER MOD Set 2.2: B 15 MET CE :methyl 149:sc= -0.246 (180deg=-0.985) USER MOD Set 3.1: A 32 GLN : amide:sc= -0.807 K(o=-0.18,f=-3.8) USER MOD Set 3.2: B 18 LYS NZ :NH3+ -177:sc= 0.624 (180deg=-0.336) USER MOD Single : A 17 ASN : amide:sc= -0.995! C(o=-0.99!,f=-9.2!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0.836 USER MOD Single : A 27 GLN :FLIP amide:sc= -1.88 F(o=-3.4!,f=-1.9) USER MOD Single : A 30 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.8!) USER MOD Single : A 35 HIS : no HD1:sc= -0.07 X(o=-0.07,f=-0.2) USER MOD Single : A 39 SER OG : rot 180:sc= 0.086 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -1.27 K(o=-1.3,f=-2.2!) USER MOD Single : A 45 SER OG : rot 80:sc= 1.31 USER MOD Single : A 51 GLN :FLIP amide:sc= -0.133 F(o=-1.3,f=-0.13) USER MOD Single : A 52 CYS SG : rot 73:sc= 1.08 USER MOD Single : A 55 THR OG1 : rot 77:sc= 1.16 USER MOD Single : A 60 THR OG1 : rot -170:sc= -2.68! USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 1.04 K(o=1,f=-0.013) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 169:sc=-0.00823 (180deg=-0.136) USER MOD Single : B 17 ASN : amide:sc= -1.13! C(o=-1.1!,f=-9.5!) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 TYR OH : rot 180:sc= 0.814 USER MOD Single : B 27 GLN :FLIP amide:sc= -1.9 F(o=-3.4!,f=-1.9) USER MOD Single : B 30 HIS : no HE2:sc= 1.01 K(o=1,f=-4.8!) USER MOD Single : B 35 HIS : no HD1:sc= -0.0594 X(o=-0.059,f=-0.13) USER MOD Single : B 39 SER OG : rot 180:sc= 0.103 USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 43 GLN : amide:sc= -1.25 K(o=-1.3,f=-2.3!) USER MOD Single : B 45 SER OG : rot 79:sc= 1.24 USER MOD Single : B 51 GLN :FLIP amide:sc= -0.153 F(o=-1.2,f=-0.15) USER MOD Single : B 52 CYS SG : rot 67:sc= 1.02 USER MOD Single : B 55 THR OG1 : rot 77:sc= 1.14 USER MOD Single : B 60 THR OG1 : rot -177:sc= -3.04! USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD Single : B 70 GLN : amide:sc= 1.18 K(o=1.2,f=-0.09) USER MOD Single : B 71 THR OG1 : rot 180:sc= 0 USER MOD Single : B 81 THR OG1 : rot 180:sc= 0 USER MOD Single : B 83 LYS NZ :NH3+ 171:sc= -0.0127 (180deg=-0.135) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 16 14.743 5.563 -3.487 1.00 1.26 N ATOM 21 CA ASP A 16 13.547 4.790 -3.781 1.00 1.13 C ATOM 22 C ASP A 16 12.596 4.819 -2.596 1.00 0.92 C ATOM 23 O ASP A 16 12.695 3.996 -1.684 1.00 1.01 O ATOM 24 CB ASP A 16 13.899 3.336 -4.118 1.00 1.39 C ATOM 25 CG ASP A 16 14.694 3.198 -5.401 1.00 1.84 C ATOM 26 OD1 ASP A 16 15.928 3.358 -5.360 1.00 2.28 O ATOM 27 OD2 ASP A 16 14.086 2.926 -6.461 1.00 2.40 O ATOM 0 HA ASP A 16 13.063 5.242 -4.647 1.00 1.13 H new ATOM 0 HB2 ASP A 16 14.471 2.907 -3.295 1.00 1.39 H new ATOM 0 HB3 ASP A 16 12.980 2.756 -4.203 1.00 1.39 H new ATOM 32 N ASN A 17 11.664 5.765 -2.612 1.00 0.78 N ATOM 33 CA ASN A 17 10.672 5.872 -1.546 1.00 0.74 C ATOM 34 C ASN A 17 9.663 4.734 -1.664 1.00 0.61 C ATOM 35 O ASN A 17 8.808 4.542 -0.800 1.00 0.65 O ATOM 36 CB ASN A 17 9.969 7.235 -1.589 1.00 0.92 C ATOM 37 CG ASN A 17 9.082 7.470 -0.377 1.00 1.56 C ATOM 38 OD1 ASN A 17 9.561 7.867 0.685 1.00 2.52 O ATOM 39 ND2 ASN A 17 7.784 7.250 -0.529 1.00 1.71 N ATOM 0 H ASN A 17 11.574 6.466 -3.347 1.00 0.78 H new ATOM 0 HA ASN A 17 11.179 5.792 -0.584 1.00 0.74 H new ATOM 0 HB2 ASN A 17 10.718 8.025 -1.646 1.00 0.92 H new ATOM 0 HB3 ASN A 17 9.366 7.301 -2.495 1.00 0.92 H new ATOM 0 HD21 ASN A 17 7.145 7.410 0.250 1.00 1.71 H new ATOM 0 HD22 ASN A 17 7.424 6.921 -1.425 1.00 1.71 H new ATOM 46 N LYS A 18 9.802 3.974 -2.746 1.00 0.59 N ATOM 47 CA LYS A 18 9.024 2.759 -2.980 1.00 0.62 C ATOM 48 C LYS A 18 9.006 1.893 -1.720 1.00 0.53 C ATOM 49 O LYS A 18 7.953 1.434 -1.264 1.00 0.48 O ATOM 50 CB LYS A 18 9.663 1.953 -4.120 1.00 0.82 C ATOM 51 CG LYS A 18 9.979 2.760 -5.376 1.00 1.09 C ATOM 52 CD LYS A 18 8.776 2.909 -6.292 1.00 1.04 C ATOM 53 CE LYS A 18 8.385 1.579 -6.914 1.00 1.44 C ATOM 54 NZ LYS A 18 7.537 1.759 -8.120 1.00 1.90 N ATOM 0 H LYS A 18 10.464 4.185 -3.493 1.00 0.59 H new ATOM 0 HA LYS A 18 8.005 3.042 -3.243 1.00 0.62 H new ATOM 0 HB2 LYS A 18 10.585 1.501 -3.754 1.00 0.82 H new ATOM 0 HB3 LYS A 18 8.993 1.137 -4.389 1.00 0.82 H new ATOM 0 HG2 LYS A 18 10.336 3.749 -5.088 1.00 1.09 H new ATOM 0 HG3 LYS A 18 10.788 2.275 -5.921 1.00 1.09 H new ATOM 0 HD2 LYS A 18 7.934 3.310 -5.727 1.00 1.04 H new ATOM 0 HD3 LYS A 18 9.003 3.628 -7.079 1.00 1.04 H new ATOM 0 HE2 LYS A 18 9.285 1.025 -7.182 1.00 1.44 H new ATOM 0 HE3 LYS A 18 7.848 0.979 -6.179 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 7.208 0.831 -8.455 1.00 1.90 H new ATOM 0 HZ2 LYS A 18 6.716 2.352 -7.882 1.00 1.90 H new ATOM 0 HZ3 LYS A 18 8.092 2.221 -8.869 1.00 1.90 H new ATOM 68 N LYS A 19 10.193 1.710 -1.150 1.00 0.60 N ATOM 69 CA LYS A 19 10.382 0.844 0.008 1.00 0.61 C ATOM 70 C LYS A 19 9.599 1.359 1.205 1.00 0.53 C ATOM 71 O LYS A 19 9.076 0.589 2.007 1.00 0.55 O ATOM 72 CB LYS A 19 11.863 0.784 0.384 1.00 0.77 C ATOM 73 CG LYS A 19 12.805 0.758 -0.807 1.00 0.82 C ATOM 74 CD LYS A 19 14.257 0.613 -0.373 1.00 1.19 C ATOM 75 CE LYS A 19 14.732 1.822 0.424 1.00 1.06 C ATOM 76 NZ LYS A 19 16.168 1.717 0.792 1.00 1.49 N ATOM 0 H LYS A 19 11.049 2.157 -1.477 1.00 0.60 H new ATOM 0 HA LYS A 19 10.022 -0.150 -0.258 1.00 0.61 H new ATOM 0 HB2 LYS A 19 12.104 1.646 1.005 1.00 0.77 H new ATOM 0 HB3 LYS A 19 12.037 -0.105 0.991 1.00 0.77 H new ATOM 0 HG2 LYS A 19 12.537 -0.069 -1.465 1.00 0.82 H new ATOM 0 HG3 LYS A 19 12.687 1.675 -1.384 1.00 0.82 H new ATOM 0 HD2 LYS A 19 14.368 -0.287 0.231 1.00 1.19 H new ATOM 0 HD3 LYS A 19 14.888 0.486 -1.252 1.00 1.19 H new ATOM 0 HE2 LYS A 19 14.573 2.727 -0.162 1.00 1.06 H new ATOM 0 HE3 LYS A 19 14.132 1.918 1.329 1.00 1.06 H new ATOM 0 HZ1 LYS A 19 16.450 2.559 1.333 1.00 1.49 H new ATOM 0 HZ2 LYS A 19 16.316 0.867 1.373 1.00 1.49 H new ATOM 0 HZ3 LYS A 19 16.744 1.651 -0.072 1.00 1.49 H new ATOM 90 N ARG A 20 9.512 2.673 1.306 1.00 0.54 N ATOM 91 CA ARG A 20 8.929 3.309 2.471 1.00 0.58 C ATOM 92 C ARG A 20 7.420 3.413 2.338 1.00 0.54 C ATOM 93 O ARG A 20 6.712 3.676 3.310 1.00 0.61 O ATOM 94 CB ARG A 20 9.572 4.670 2.689 1.00 0.70 C ATOM 95 CG ARG A 20 11.085 4.569 2.758 1.00 0.82 C ATOM 96 CD ARG A 20 11.704 5.785 3.409 1.00 1.01 C ATOM 97 NE ARG A 20 11.432 7.015 2.666 1.00 1.31 N ATOM 98 CZ ARG A 20 12.177 8.115 2.747 1.00 1.45 C ATOM 99 NH1 ARG A 20 13.258 8.138 3.517 1.00 1.32 N ATOM 100 NH2 ARG A 20 11.848 9.189 2.044 1.00 2.34 N ATOM 0 H ARG A 20 9.840 3.322 0.591 1.00 0.54 H new ATOM 0 HA ARG A 20 9.127 2.693 3.348 1.00 0.58 H new ATOM 0 HB2 ARG A 20 9.288 5.341 1.878 1.00 0.70 H new ATOM 0 HB3 ARG A 20 9.194 5.108 3.613 1.00 0.70 H new ATOM 0 HG2 ARG A 20 11.364 3.676 3.318 1.00 0.82 H new ATOM 0 HG3 ARG A 20 11.487 4.452 1.752 1.00 0.82 H new ATOM 0 HD2 ARG A 20 11.320 5.885 4.424 1.00 1.01 H new ATOM 0 HD3 ARG A 20 12.782 5.642 3.488 1.00 1.01 H new ATOM 0 HE ARG A 20 10.621 7.031 2.047 1.00 1.31 H new ATOM 0 HH11 ARG A 20 13.522 7.310 4.051 1.00 1.32 H new ATOM 0 HH12 ARG A 20 13.825 8.984 3.575 1.00 1.32 H new ATOM 0 HH21 ARG A 20 11.025 9.172 1.442 1.00 2.34 H new ATOM 0 HH22 ARG A 20 12.418 10.033 2.105 1.00 2.34 H new ATOM 114 N LEU A 21 6.927 3.195 1.133 1.00 0.54 N ATOM 115 CA LEU A 21 5.506 3.002 0.937 1.00 0.59 C ATOM 116 C LEU A 21 5.077 1.742 1.675 1.00 0.57 C ATOM 117 O LEU A 21 4.118 1.757 2.451 1.00 0.64 O ATOM 118 CB LEU A 21 5.178 2.899 -0.554 1.00 0.64 C ATOM 119 CG LEU A 21 3.771 2.397 -0.885 1.00 0.61 C ATOM 120 CD1 LEU A 21 2.718 3.165 -0.097 1.00 0.70 C ATOM 121 CD2 LEU A 21 3.509 2.532 -2.372 1.00 0.61 C ATOM 0 H LEU A 21 7.487 3.148 0.282 1.00 0.54 H new ATOM 0 HA LEU A 21 4.961 3.858 1.335 1.00 0.59 H new ATOM 0 HB2 LEU A 21 5.310 3.882 -1.006 1.00 0.64 H new ATOM 0 HB3 LEU A 21 5.902 2.233 -1.023 1.00 0.64 H new ATOM 0 HG LEU A 21 3.708 1.346 -0.603 1.00 0.61 H new ATOM 0 HD11 LEU A 21 1.727 2.788 -0.351 1.00 0.70 H new ATOM 0 HD12 LEU A 21 2.894 3.032 0.971 1.00 0.70 H new ATOM 0 HD13 LEU A 21 2.778 4.225 -0.346 1.00 0.70 H new ATOM 0 HD21 LEU A 21 2.505 2.172 -2.599 1.00 0.61 H new ATOM 0 HD22 LEU A 21 3.594 3.579 -2.663 1.00 0.61 H new ATOM 0 HD23 LEU A 21 4.239 1.942 -2.925 1.00 0.61 H new ATOM 133 N ALA A 22 5.819 0.661 1.455 1.00 0.56 N ATOM 134 CA ALA A 22 5.573 -0.586 2.166 1.00 0.63 C ATOM 135 C ALA A 22 5.749 -0.386 3.661 1.00 0.51 C ATOM 136 O ALA A 22 5.015 -0.964 4.456 1.00 0.44 O ATOM 137 CB ALA A 22 6.503 -1.676 1.678 1.00 0.83 C ATOM 0 H ALA A 22 6.593 0.625 0.792 1.00 0.56 H new ATOM 0 HA ALA A 22 4.546 -0.892 1.967 1.00 0.63 H new ATOM 0 HB1 ALA A 22 6.301 -2.598 2.223 1.00 0.83 H new ATOM 0 HB2 ALA A 22 6.342 -1.842 0.613 1.00 0.83 H new ATOM 0 HB3 ALA A 22 7.537 -1.374 1.846 1.00 0.83 H new ATOM 143 N TYR A 23 6.725 0.449 4.018 1.00 0.62 N ATOM 144 CA TYR A 23 7.011 0.795 5.409 1.00 0.76 C ATOM 145 C TYR A 23 5.732 1.029 6.205 1.00 0.67 C ATOM 146 O TYR A 23 5.465 0.346 7.194 1.00 0.67 O ATOM 147 CB TYR A 23 7.891 2.057 5.453 1.00 1.11 C ATOM 148 CG TYR A 23 7.878 2.801 6.774 1.00 1.03 C ATOM 149 CD1 TYR A 23 8.777 2.496 7.780 1.00 1.46 C ATOM 150 CD2 TYR A 23 6.952 3.811 7.012 1.00 1.86 C ATOM 151 CE1 TYR A 23 8.756 3.171 8.982 1.00 1.82 C ATOM 152 CE2 TYR A 23 6.920 4.483 8.211 1.00 2.48 C ATOM 153 CZ TYR A 23 7.824 4.163 9.193 1.00 2.23 C ATOM 154 OH TYR A 23 7.777 4.822 10.400 1.00 2.99 O ATOM 0 H TYR A 23 7.342 0.906 3.347 1.00 0.62 H new ATOM 0 HA TYR A 23 7.538 -0.043 5.865 1.00 0.76 H new ATOM 0 HB2 TYR A 23 8.918 1.774 5.223 1.00 1.11 H new ATOM 0 HB3 TYR A 23 7.564 2.737 4.667 1.00 1.11 H new ATOM 0 HD1 TYR A 23 9.507 1.716 7.621 1.00 1.46 H new ATOM 0 HD2 TYR A 23 6.244 4.073 6.240 1.00 1.86 H new ATOM 0 HE1 TYR A 23 9.468 2.923 9.755 1.00 1.82 H new ATOM 0 HE2 TYR A 23 6.187 5.259 8.379 1.00 2.48 H new ATOM 0 HH TYR A 23 7.062 5.492 10.379 1.00 2.99 H new ATOM 164 N ALA A 24 4.934 1.983 5.756 1.00 0.72 N ATOM 165 CA ALA A 24 3.763 2.395 6.505 1.00 0.87 C ATOM 166 C ALA A 24 2.633 1.396 6.376 1.00 0.75 C ATOM 167 O ALA A 24 1.782 1.303 7.255 1.00 0.84 O ATOM 168 CB ALA A 24 3.308 3.758 6.058 1.00 1.14 C ATOM 0 H ALA A 24 5.076 2.484 4.879 1.00 0.72 H new ATOM 0 HA ALA A 24 4.045 2.440 7.557 1.00 0.87 H new ATOM 0 HB1 ALA A 24 2.428 4.053 6.629 1.00 1.14 H new ATOM 0 HB2 ALA A 24 4.107 4.481 6.223 1.00 1.14 H new ATOM 0 HB3 ALA A 24 3.059 3.729 4.997 1.00 1.14 H new ATOM 174 N ILE A 25 2.616 0.660 5.280 1.00 0.62 N ATOM 175 CA ILE A 25 1.638 -0.396 5.108 1.00 0.71 C ATOM 176 C ILE A 25 1.904 -1.494 6.132 1.00 0.61 C ATOM 177 O ILE A 25 0.987 -2.001 6.769 1.00 0.66 O ATOM 178 CB ILE A 25 1.668 -0.968 3.673 1.00 0.80 C ATOM 179 CG1 ILE A 25 1.344 0.143 2.668 1.00 0.97 C ATOM 180 CG2 ILE A 25 0.683 -2.121 3.533 1.00 0.91 C ATOM 181 CD1 ILE A 25 1.425 -0.287 1.219 1.00 0.89 C ATOM 0 H ILE A 25 3.264 0.773 4.501 1.00 0.62 H new ATOM 0 HA ILE A 25 0.643 0.019 5.267 1.00 0.71 H new ATOM 0 HB ILE A 25 2.667 -1.353 3.467 1.00 0.80 H new ATOM 0 HG12 ILE A 25 0.340 0.517 2.869 1.00 0.97 H new ATOM 0 HG13 ILE A 25 2.032 0.974 2.828 1.00 0.97 H new ATOM 0 HG21 ILE A 25 0.720 -2.509 2.515 1.00 0.91 H new ATOM 0 HG22 ILE A 25 0.948 -2.913 4.233 1.00 0.91 H new ATOM 0 HG23 ILE A 25 -0.325 -1.767 3.750 1.00 0.91 H new ATOM 0 HD11 ILE A 25 1.182 0.558 0.575 1.00 0.89 H new ATOM 0 HD12 ILE A 25 2.435 -0.633 0.998 1.00 0.89 H new ATOM 0 HD13 ILE A 25 0.717 -1.096 1.039 1.00 0.89 H new ATOM 193 N ILE A 26 3.177 -1.814 6.315 1.00 0.53 N ATOM 194 CA ILE A 26 3.596 -2.764 7.334 1.00 0.53 C ATOM 195 C ILE A 26 3.288 -2.217 8.728 1.00 0.51 C ATOM 196 O ILE A 26 2.661 -2.891 9.543 1.00 0.53 O ATOM 197 CB ILE A 26 5.108 -3.066 7.216 1.00 0.58 C ATOM 198 CG1 ILE A 26 5.420 -3.664 5.840 1.00 0.67 C ATOM 199 CG2 ILE A 26 5.559 -4.006 8.327 1.00 0.62 C ATOM 200 CD1 ILE A 26 6.900 -3.757 5.530 1.00 0.78 C ATOM 0 H ILE A 26 3.943 -1.425 5.765 1.00 0.53 H new ATOM 0 HA ILE A 26 3.042 -3.690 7.181 1.00 0.53 H new ATOM 0 HB ILE A 26 5.659 -2.131 7.322 1.00 0.58 H new ATOM 0 HG12 ILE A 26 4.984 -4.661 5.781 1.00 0.67 H new ATOM 0 HG13 ILE A 26 4.936 -3.058 5.074 1.00 0.67 H new ATOM 0 HG21 ILE A 26 6.626 -4.205 8.225 1.00 0.62 H new ATOM 0 HG22 ILE A 26 5.367 -3.543 9.295 1.00 0.62 H new ATOM 0 HG23 ILE A 26 5.007 -4.943 8.257 1.00 0.62 H new ATOM 0 HD11 ILE A 26 7.038 -4.190 4.539 1.00 0.78 H new ATOM 0 HD12 ILE A 26 7.340 -2.760 5.555 1.00 0.78 H new ATOM 0 HD13 ILE A 26 7.388 -4.388 6.273 1.00 0.78 H new ATOM 212 N GLN A 27 3.719 -0.983 8.979 1.00 0.54 N ATOM 213 CA GLN A 27 3.507 -0.324 10.270 1.00 0.62 C ATOM 214 C GLN A 27 2.026 -0.253 10.640 1.00 0.55 C ATOM 215 O GLN A 27 1.617 -0.714 11.708 1.00 0.57 O ATOM 216 CB GLN A 27 4.078 1.098 10.239 1.00 0.79 C ATOM 217 CG GLN A 27 5.595 1.162 10.205 1.00 0.89 C ATOM 218 CD GLN A 27 6.224 0.704 11.503 1.00 1.10 C ATOM 219 OE1 GLN A 27 6.536 -0.576 11.589 1.00 1.58 O flip ATOM 220 NE2 GLN A 27 6.430 1.500 12.418 1.00 1.34 N flip ATOM 0 H GLN A 27 4.222 -0.413 8.299 1.00 0.54 H new ATOM 0 HA GLN A 27 4.022 -0.922 11.022 1.00 0.62 H new ATOM 0 HB2 GLN A 27 3.685 1.616 9.364 1.00 0.79 H new ATOM 0 HB3 GLN A 27 3.723 1.639 11.116 1.00 0.79 H new ATOM 0 HG2 GLN A 27 5.963 0.542 9.388 1.00 0.89 H new ATOM 0 HG3 GLN A 27 5.908 2.185 9.995 1.00 0.89 H new ATOM 0 HE21 GLN A 27 6.173 2.481 12.308 1.00 1.34 H new ATOM 0 HE22 GLN A 27 6.858 1.179 13.286 1.00 1.34 H new ATOM 229 N PHE A 28 1.230 0.322 9.750 1.00 0.52 N ATOM 230 CA PHE A 28 -0.167 0.598 10.044 1.00 0.51 C ATOM 231 C PHE A 28 -0.985 -0.683 10.100 1.00 0.43 C ATOM 232 O PHE A 28 -1.741 -0.893 11.043 1.00 0.42 O ATOM 233 CB PHE A 28 -0.754 1.553 9.007 1.00 0.60 C ATOM 234 CG PHE A 28 -2.114 2.073 9.371 1.00 0.90 C ATOM 235 CD1 PHE A 28 -2.251 3.101 10.288 1.00 1.60 C ATOM 236 CD2 PHE A 28 -3.254 1.537 8.796 1.00 1.62 C ATOM 237 CE1 PHE A 28 -3.499 3.584 10.626 1.00 1.98 C ATOM 238 CE2 PHE A 28 -4.503 2.016 9.130 1.00 1.95 C ATOM 239 CZ PHE A 28 -4.627 3.041 10.047 1.00 1.83 C ATOM 0 H PHE A 28 1.529 0.606 8.817 1.00 0.52 H new ATOM 0 HA PHE A 28 -0.212 1.071 11.025 1.00 0.51 H new ATOM 0 HB2 PHE A 28 -0.075 2.396 8.876 1.00 0.60 H new ATOM 0 HB3 PHE A 28 -0.815 1.041 8.047 1.00 0.60 H new ATOM 0 HD1 PHE A 28 -1.371 3.530 10.744 1.00 1.60 H new ATOM 0 HD2 PHE A 28 -3.164 0.735 8.078 1.00 1.62 H new ATOM 0 HE1 PHE A 28 -3.592 4.386 11.343 1.00 1.98 H new ATOM 0 HE2 PHE A 28 -5.384 1.590 8.674 1.00 1.95 H new ATOM 0 HZ PHE A 28 -5.605 3.417 10.310 1.00 1.83 H new ATOM 249 N LEU A 29 -0.826 -1.545 9.100 1.00 0.45 N ATOM 250 CA LEU A 29 -1.596 -2.785 9.045 1.00 0.45 C ATOM 251 C LEU A 29 -1.233 -3.705 10.204 1.00 0.45 C ATOM 252 O LEU A 29 -2.045 -4.518 10.626 1.00 0.48 O ATOM 253 CB LEU A 29 -1.402 -3.511 7.708 1.00 0.53 C ATOM 254 CG LEU A 29 -2.317 -3.057 6.560 1.00 0.59 C ATOM 255 CD1 LEU A 29 -2.128 -1.579 6.249 1.00 0.57 C ATOM 256 CD2 LEU A 29 -2.057 -3.894 5.318 1.00 0.70 C ATOM 0 H LEU A 29 -0.178 -1.411 8.324 1.00 0.45 H new ATOM 0 HA LEU A 29 -2.649 -2.516 9.132 1.00 0.45 H new ATOM 0 HB2 LEU A 29 -0.366 -3.383 7.394 1.00 0.53 H new ATOM 0 HB3 LEU A 29 -1.556 -4.578 7.870 1.00 0.53 H new ATOM 0 HG LEU A 29 -3.349 -3.202 6.878 1.00 0.59 H new ATOM 0 HD11 LEU A 29 -2.790 -1.291 5.432 1.00 0.57 H new ATOM 0 HD12 LEU A 29 -2.365 -0.988 7.134 1.00 0.57 H new ATOM 0 HD13 LEU A 29 -1.093 -1.398 5.958 1.00 0.57 H new ATOM 0 HD21 LEU A 29 -2.712 -3.562 4.512 1.00 0.70 H new ATOM 0 HD22 LEU A 29 -1.017 -3.778 5.012 1.00 0.70 H new ATOM 0 HD23 LEU A 29 -2.255 -4.943 5.538 1.00 0.70 H new ATOM 268 N HIS A 30 -0.014 -3.564 10.717 1.00 0.47 N ATOM 269 CA HIS A 30 0.418 -4.304 11.902 1.00 0.53 C ATOM 270 C HIS A 30 -0.502 -4.009 13.084 1.00 0.47 C ATOM 271 O HIS A 30 -1.054 -4.917 13.708 1.00 0.49 O ATOM 272 CB HIS A 30 1.862 -3.924 12.257 1.00 0.67 C ATOM 273 CG HIS A 30 2.335 -4.451 13.578 1.00 0.93 C ATOM 274 ND1 HIS A 30 2.301 -3.706 14.740 1.00 1.11 N ATOM 275 CD2 HIS A 30 2.864 -5.649 13.917 1.00 1.18 C ATOM 276 CE1 HIS A 30 2.788 -4.424 15.732 1.00 1.37 C ATOM 277 NE2 HIS A 30 3.136 -5.607 15.261 1.00 1.41 N ATOM 0 H HIS A 30 0.696 -2.942 10.330 1.00 0.47 H new ATOM 0 HA HIS A 30 0.370 -5.371 11.682 1.00 0.53 H new ATOM 0 HB2 HIS A 30 2.525 -4.293 11.474 1.00 0.67 H new ATOM 0 HB3 HIS A 30 1.948 -2.837 12.261 1.00 0.67 H new ATOM 0 HD1 HIS A 30 1.954 -2.750 14.818 1.00 1.11 H new ATOM 0 HD2 HIS A 30 3.039 -6.483 13.253 1.00 1.18 H new ATOM 0 HE1 HIS A 30 2.886 -4.099 16.757 1.00 1.37 H new ATOM 286 N ASP A 31 -0.664 -2.734 13.387 1.00 0.48 N ATOM 287 CA ASP A 31 -1.482 -2.322 14.516 1.00 0.51 C ATOM 288 C ASP A 31 -2.961 -2.418 14.176 1.00 0.45 C ATOM 289 O ASP A 31 -3.771 -2.804 15.014 1.00 0.49 O ATOM 290 CB ASP A 31 -1.114 -0.909 14.954 1.00 0.63 C ATOM 291 CG ASP A 31 0.204 -0.871 15.704 1.00 1.24 C ATOM 292 OD1 ASP A 31 1.245 -1.245 15.115 1.00 1.98 O ATOM 293 OD2 ASP A 31 0.200 -0.490 16.895 1.00 1.79 O ATOM 0 H ASP A 31 -0.240 -1.965 12.868 1.00 0.48 H new ATOM 0 HA ASP A 31 -1.285 -2.999 15.347 1.00 0.51 H new ATOM 0 HB2 ASP A 31 -1.051 -0.263 14.078 1.00 0.63 H new ATOM 0 HB3 ASP A 31 -1.904 -0.509 15.589 1.00 0.63 H new ATOM 298 N GLN A 32 -3.302 -2.085 12.937 1.00 0.42 N ATOM 299 CA GLN A 32 -4.672 -2.212 12.444 1.00 0.43 C ATOM 300 C GLN A 32 -5.140 -3.656 12.584 1.00 0.38 C ATOM 301 O GLN A 32 -6.314 -3.927 12.849 1.00 0.43 O ATOM 302 CB GLN A 32 -4.731 -1.782 10.977 1.00 0.52 C ATOM 303 CG GLN A 32 -6.137 -1.574 10.437 1.00 0.57 C ATOM 304 CD GLN A 32 -6.134 -1.145 8.981 1.00 1.17 C ATOM 305 OE1 GLN A 32 -6.997 -0.389 8.538 1.00 1.92 O ATOM 306 NE2 GLN A 32 -5.167 -1.636 8.219 1.00 1.31 N ATOM 0 H GLN A 32 -2.643 -1.722 12.248 1.00 0.42 H new ATOM 0 HA GLN A 32 -5.328 -1.570 13.031 1.00 0.43 H new ATOM 0 HB2 GLN A 32 -4.170 -0.855 10.860 1.00 0.52 H new ATOM 0 HB3 GLN A 32 -4.230 -2.536 10.370 1.00 0.52 H new ATOM 0 HG2 GLN A 32 -6.705 -2.499 10.540 1.00 0.57 H new ATOM 0 HG3 GLN A 32 -6.646 -0.819 11.036 1.00 0.57 H new ATOM 0 HE21 GLN A 32 -4.468 -2.261 8.621 1.00 1.31 H new ATOM 0 HE22 GLN A 32 -5.122 -1.389 7.230 1.00 1.31 H new ATOM 315 N LEU A 33 -4.193 -4.571 12.409 1.00 0.36 N ATOM 316 CA LEU A 33 -4.426 -5.997 12.575 1.00 0.42 C ATOM 317 C LEU A 33 -4.906 -6.282 13.991 1.00 0.46 C ATOM 318 O LEU A 33 -5.965 -6.870 14.197 1.00 0.54 O ATOM 319 CB LEU A 33 -3.116 -6.752 12.309 1.00 0.53 C ATOM 320 CG LEU A 33 -3.228 -8.072 11.547 1.00 0.80 C ATOM 321 CD1 LEU A 33 -3.902 -9.139 12.394 1.00 1.22 C ATOM 322 CD2 LEU A 33 -3.979 -7.857 10.245 1.00 0.83 C ATOM 0 H LEU A 33 -3.235 -4.340 12.146 1.00 0.36 H new ATOM 0 HA LEU A 33 -5.190 -6.327 11.871 1.00 0.42 H new ATOM 0 HB2 LEU A 33 -2.450 -6.093 11.752 1.00 0.53 H new ATOM 0 HB3 LEU A 33 -2.638 -6.952 13.268 1.00 0.53 H new ATOM 0 HG LEU A 33 -2.223 -8.425 11.316 1.00 0.80 H new ATOM 0 HD11 LEU A 33 -3.968 -10.067 11.826 1.00 1.22 H new ATOM 0 HD12 LEU A 33 -3.318 -9.308 13.299 1.00 1.22 H new ATOM 0 HD13 LEU A 33 -4.904 -8.808 12.666 1.00 1.22 H new ATOM 0 HD21 LEU A 33 -4.054 -8.803 9.708 1.00 0.83 H new ATOM 0 HD22 LEU A 33 -4.979 -7.481 10.460 1.00 0.83 H new ATOM 0 HD23 LEU A 33 -3.443 -7.133 9.631 1.00 0.83 H new ATOM 334 N ARG A 34 -4.131 -5.820 14.961 1.00 0.47 N ATOM 335 CA ARG A 34 -4.406 -6.101 16.363 1.00 0.58 C ATOM 336 C ARG A 34 -5.514 -5.206 16.911 1.00 0.58 C ATOM 337 O ARG A 34 -6.023 -5.440 18.007 1.00 0.69 O ATOM 338 CB ARG A 34 -3.130 -5.944 17.191 1.00 0.69 C ATOM 339 CG ARG A 34 -1.968 -6.777 16.669 1.00 1.40 C ATOM 340 CD ARG A 34 -2.332 -8.252 16.576 1.00 1.45 C ATOM 341 NE ARG A 34 -1.293 -9.029 15.906 1.00 2.17 N ATOM 342 CZ ARG A 34 -1.466 -10.268 15.445 1.00 2.52 C ATOM 343 NH1 ARG A 34 -2.632 -10.885 15.597 1.00 2.19 N ATOM 344 NH2 ARG A 34 -0.471 -10.891 14.832 1.00 3.49 N ATOM 0 H ARG A 34 -3.303 -5.246 14.802 1.00 0.47 H new ATOM 0 HA ARG A 34 -4.753 -7.132 16.436 1.00 0.58 H new ATOM 0 HB2 ARG A 34 -2.839 -4.894 17.202 1.00 0.69 H new ATOM 0 HB3 ARG A 34 -3.337 -6.228 18.223 1.00 0.69 H new ATOM 0 HG2 ARG A 34 -1.671 -6.412 15.686 1.00 1.40 H new ATOM 0 HG3 ARG A 34 -1.108 -6.655 17.327 1.00 1.40 H new ATOM 0 HD2 ARG A 34 -2.493 -8.650 17.578 1.00 1.45 H new ATOM 0 HD3 ARG A 34 -3.272 -8.360 16.035 1.00 1.45 H new ATOM 0 HE ARG A 34 -0.377 -8.597 15.783 1.00 2.17 H new ATOM 0 HH11 ARG A 34 -3.402 -10.411 16.069 1.00 2.19 H new ATOM 0 HH12 ARG A 34 -2.758 -11.833 15.242 1.00 2.19 H new ATOM 0 HH21 ARG A 34 0.427 -10.423 14.713 1.00 3.49 H new ATOM 0 HH22 ARG A 34 -0.603 -11.839 14.479 1.00 3.49 H new ATOM 358 N HIS A 35 -5.888 -4.182 16.151 1.00 0.53 N ATOM 359 CA HIS A 35 -7.008 -3.327 16.533 1.00 0.58 C ATOM 360 C HIS A 35 -8.315 -3.876 15.978 1.00 0.58 C ATOM 361 O HIS A 35 -9.398 -3.461 16.386 1.00 0.74 O ATOM 362 CB HIS A 35 -6.818 -1.882 16.050 1.00 0.59 C ATOM 363 CG HIS A 35 -5.779 -1.104 16.803 1.00 1.15 C ATOM 364 ND1 HIS A 35 -5.674 -1.114 18.175 1.00 1.98 N ATOM 365 CD2 HIS A 35 -4.796 -0.284 16.360 1.00 1.61 C ATOM 366 CE1 HIS A 35 -4.676 -0.332 18.544 1.00 2.68 C ATOM 367 NE2 HIS A 35 -4.127 0.182 17.462 1.00 2.42 N ATOM 0 H HIS A 35 -5.437 -3.925 15.273 1.00 0.53 H new ATOM 0 HA HIS A 35 -7.046 -3.321 17.622 1.00 0.58 H new ATOM 0 HB2 HIS A 35 -6.547 -1.898 14.994 1.00 0.59 H new ATOM 0 HB3 HIS A 35 -7.771 -1.359 16.126 1.00 0.59 H new ATOM 0 HD2 HIS A 35 -4.580 -0.042 15.330 1.00 1.61 H new ATOM 0 HE1 HIS A 35 -4.363 -0.145 19.561 1.00 2.68 H new ATOM 0 HE2 HIS A 35 -3.333 0.822 17.447 1.00 2.42 H new ATOM 376 N GLY A 36 -8.199 -4.815 15.043 1.00 0.49 N ATOM 377 CA GLY A 36 -9.370 -5.386 14.408 1.00 0.51 C ATOM 378 C GLY A 36 -10.061 -4.390 13.503 1.00 0.47 C ATOM 379 O GLY A 36 -11.288 -4.321 13.469 1.00 0.53 O ATOM 0 H GLY A 36 -7.310 -5.191 14.714 1.00 0.49 H new ATOM 0 HA2 GLY A 36 -9.078 -6.262 13.829 1.00 0.51 H new ATOM 0 HA3 GLY A 36 -10.068 -5.727 15.173 1.00 0.51 H new ATOM 383 N GLY A 37 -9.263 -3.613 12.773 1.00 0.41 N ATOM 384 CA GLY A 37 -9.804 -2.570 11.916 1.00 0.40 C ATOM 385 C GLY A 37 -10.743 -3.103 10.851 1.00 0.39 C ATOM 386 O GLY A 37 -11.814 -2.540 10.621 1.00 0.52 O ATOM 0 H GLY A 37 -8.246 -3.688 12.760 1.00 0.41 H new ATOM 0 HA2 GLY A 37 -10.336 -1.843 12.530 1.00 0.40 H new ATOM 0 HA3 GLY A 37 -8.982 -2.040 11.435 1.00 0.40 H new ATOM 390 N LEU A 38 -10.343 -4.182 10.198 1.00 0.36 N ATOM 391 CA LEU A 38 -11.168 -4.793 9.164 1.00 0.41 C ATOM 392 C LEU A 38 -11.803 -6.085 9.677 1.00 0.49 C ATOM 393 O LEU A 38 -11.621 -6.448 10.841 1.00 0.83 O ATOM 394 CB LEU A 38 -10.349 -5.069 7.890 1.00 0.44 C ATOM 395 CG LEU A 38 -9.858 -3.832 7.115 1.00 0.44 C ATOM 396 CD1 LEU A 38 -10.991 -2.846 6.885 1.00 0.51 C ATOM 397 CD2 LEU A 38 -8.703 -3.153 7.830 1.00 0.47 C ATOM 0 H LEU A 38 -9.454 -4.654 10.364 1.00 0.36 H new ATOM 0 HA LEU A 38 -11.961 -4.090 8.911 1.00 0.41 H new ATOM 0 HB2 LEU A 38 -9.481 -5.668 8.164 1.00 0.44 H new ATOM 0 HB3 LEU A 38 -10.956 -5.676 7.218 1.00 0.44 H new ATOM 0 HG LEU A 38 -9.500 -4.177 6.145 1.00 0.44 H new ATOM 0 HD11 LEU A 38 -10.616 -1.982 6.336 1.00 0.51 H new ATOM 0 HD12 LEU A 38 -11.781 -3.327 6.309 1.00 0.51 H new ATOM 0 HD13 LEU A 38 -11.390 -2.520 7.845 1.00 0.51 H new ATOM 0 HD21 LEU A 38 -8.381 -2.284 7.257 1.00 0.47 H new ATOM 0 HD22 LEU A 38 -9.026 -2.834 8.821 1.00 0.47 H new ATOM 0 HD23 LEU A 38 -7.873 -3.853 7.926 1.00 0.47 H new ATOM 409 N SER A 39 -12.544 -6.769 8.810 1.00 0.47 N ATOM 410 CA SER A 39 -13.231 -8.003 9.181 1.00 0.54 C ATOM 411 C SER A 39 -12.233 -9.154 9.374 1.00 0.48 C ATOM 412 O SER A 39 -11.024 -8.966 9.251 1.00 0.46 O ATOM 413 CB SER A 39 -14.274 -8.362 8.111 1.00 0.67 C ATOM 414 OG SER A 39 -15.095 -9.450 8.518 1.00 1.42 O ATOM 0 H SER A 39 -12.685 -6.488 7.840 1.00 0.47 H new ATOM 0 HA SER A 39 -13.740 -7.844 10.132 1.00 0.54 H new ATOM 0 HB2 SER A 39 -14.898 -7.492 7.906 1.00 0.67 H new ATOM 0 HB3 SER A 39 -13.767 -8.617 7.180 1.00 0.67 H new ATOM 0 HG SER A 39 -15.747 -9.649 7.814 1.00 1.42 H new ATOM 420 N SER A 40 -12.757 -10.343 9.659 1.00 0.60 N ATOM 421 CA SER A 40 -11.938 -11.509 9.983 1.00 0.61 C ATOM 422 C SER A 40 -10.975 -11.864 8.848 1.00 0.53 C ATOM 423 O SER A 40 -9.755 -11.819 9.021 1.00 0.50 O ATOM 424 CB SER A 40 -12.849 -12.700 10.299 1.00 0.77 C ATOM 425 OG SER A 40 -12.101 -13.869 10.591 1.00 1.63 O ATOM 0 H SER A 40 -13.760 -10.526 9.672 1.00 0.60 H new ATOM 0 HA SER A 40 -11.332 -11.266 10.856 1.00 0.61 H new ATOM 0 HB2 SER A 40 -13.487 -12.455 11.148 1.00 0.77 H new ATOM 0 HB3 SER A 40 -13.506 -12.891 9.451 1.00 0.77 H new ATOM 0 HG SER A 40 -12.713 -14.608 10.789 1.00 1.63 H new ATOM 431 N ASP A 41 -11.522 -12.210 7.688 1.00 0.57 N ATOM 432 CA ASP A 41 -10.704 -12.629 6.554 1.00 0.58 C ATOM 433 C ASP A 41 -9.866 -11.467 6.036 1.00 0.53 C ATOM 434 O ASP A 41 -8.709 -11.641 5.650 1.00 0.56 O ATOM 435 CB ASP A 41 -11.583 -13.184 5.432 1.00 0.71 C ATOM 436 CG ASP A 41 -10.775 -13.639 4.234 1.00 1.25 C ATOM 437 OD1 ASP A 41 -10.034 -14.637 4.355 1.00 2.20 O ATOM 438 OD2 ASP A 41 -10.887 -13.011 3.163 1.00 1.69 O ATOM 0 H ASP A 41 -12.526 -12.209 7.508 1.00 0.57 H new ATOM 0 HA ASP A 41 -10.033 -13.417 6.894 1.00 0.58 H new ATOM 0 HB2 ASP A 41 -12.166 -14.022 5.813 1.00 0.71 H new ATOM 0 HB3 ASP A 41 -12.293 -12.418 5.118 1.00 0.71 H new ATOM 443 N ALA A 42 -10.458 -10.280 6.047 1.00 0.51 N ATOM 444 CA ALA A 42 -9.763 -9.068 5.639 1.00 0.51 C ATOM 445 C ALA A 42 -8.541 -8.824 6.518 1.00 0.47 C ATOM 446 O ALA A 42 -7.483 -8.425 6.034 1.00 0.52 O ATOM 447 CB ALA A 42 -10.708 -7.881 5.704 1.00 0.54 C ATOM 0 H ALA A 42 -11.425 -10.131 6.336 1.00 0.51 H new ATOM 0 HA ALA A 42 -9.422 -9.192 4.611 1.00 0.51 H new ATOM 0 HB1 ALA A 42 -10.180 -6.978 5.397 1.00 0.54 H new ATOM 0 HB2 ALA A 42 -11.553 -8.052 5.037 1.00 0.54 H new ATOM 0 HB3 ALA A 42 -11.070 -7.760 6.725 1.00 0.54 H new ATOM 453 N GLN A 43 -8.701 -9.081 7.811 1.00 0.44 N ATOM 454 CA GLN A 43 -7.619 -8.959 8.775 1.00 0.45 C ATOM 455 C GLN A 43 -6.471 -9.887 8.395 1.00 0.45 C ATOM 456 O GLN A 43 -5.336 -9.450 8.233 1.00 0.48 O ATOM 457 CB GLN A 43 -8.144 -9.296 10.171 1.00 0.49 C ATOM 458 CG GLN A 43 -7.175 -8.983 11.291 1.00 0.82 C ATOM 459 CD GLN A 43 -7.748 -9.290 12.660 1.00 0.85 C ATOM 460 OE1 GLN A 43 -7.018 -9.637 13.585 1.00 1.56 O ATOM 461 NE2 GLN A 43 -9.059 -9.162 12.802 1.00 1.12 N ATOM 0 H GLN A 43 -9.587 -9.380 8.219 1.00 0.44 H new ATOM 0 HA GLN A 43 -7.244 -7.935 8.774 1.00 0.45 H new ATOM 0 HB2 GLN A 43 -9.069 -8.745 10.342 1.00 0.49 H new ATOM 0 HB3 GLN A 43 -8.393 -10.357 10.207 1.00 0.49 H new ATOM 0 HG2 GLN A 43 -6.260 -9.558 11.147 1.00 0.82 H new ATOM 0 HG3 GLN A 43 -6.900 -7.929 11.244 1.00 0.82 H new ATOM 0 HE21 GLN A 43 -9.632 -8.871 12.010 1.00 1.12 H new ATOM 0 HE22 GLN A 43 -9.495 -9.354 13.704 1.00 1.12 H new ATOM 470 N GLU A 44 -6.779 -11.165 8.217 1.00 0.49 N ATOM 471 CA GLU A 44 -5.766 -12.145 7.840 1.00 0.54 C ATOM 472 C GLU A 44 -5.085 -11.749 6.532 1.00 0.51 C ATOM 473 O GLU A 44 -3.893 -11.997 6.339 1.00 0.50 O ATOM 474 CB GLU A 44 -6.389 -13.534 7.709 1.00 0.68 C ATOM 475 CG GLU A 44 -6.986 -14.052 9.004 1.00 1.20 C ATOM 476 CD GLU A 44 -7.526 -15.459 8.874 1.00 1.65 C ATOM 477 OE1 GLU A 44 -6.733 -16.419 8.978 1.00 2.36 O ATOM 478 OE2 GLU A 44 -8.748 -15.613 8.668 1.00 2.20 O ATOM 0 H GLU A 44 -7.718 -11.547 8.327 1.00 0.49 H new ATOM 0 HA GLU A 44 -5.012 -12.170 8.626 1.00 0.54 H new ATOM 0 HB2 GLU A 44 -7.166 -13.505 6.946 1.00 0.68 H new ATOM 0 HB3 GLU A 44 -5.628 -14.234 7.363 1.00 0.68 H new ATOM 0 HG2 GLU A 44 -6.226 -14.029 9.785 1.00 1.20 H new ATOM 0 HG3 GLU A 44 -7.789 -13.387 9.321 1.00 1.20 H new ATOM 485 N SER A 45 -5.848 -11.113 5.649 1.00 0.54 N ATOM 486 CA SER A 45 -5.333 -10.664 4.364 1.00 0.59 C ATOM 487 C SER A 45 -4.280 -9.567 4.536 1.00 0.55 C ATOM 488 O SER A 45 -3.325 -9.496 3.761 1.00 0.58 O ATOM 489 CB SER A 45 -6.480 -10.160 3.486 1.00 0.71 C ATOM 490 OG SER A 45 -7.471 -11.161 3.319 1.00 1.04 O ATOM 0 H SER A 45 -6.833 -10.896 5.804 1.00 0.54 H new ATOM 0 HA SER A 45 -4.854 -11.514 3.878 1.00 0.59 H new ATOM 0 HB2 SER A 45 -6.926 -9.274 3.938 1.00 0.71 H new ATOM 0 HB3 SER A 45 -6.093 -9.861 2.512 1.00 0.71 H new ATOM 0 HG SER A 45 -8.050 -11.184 4.110 1.00 1.04 H new ATOM 496 N LEU A 46 -4.447 -8.720 5.554 1.00 0.56 N ATOM 497 CA LEU A 46 -3.486 -7.649 5.815 1.00 0.60 C ATOM 498 C LEU A 46 -2.123 -8.244 6.105 1.00 0.50 C ATOM 499 O LEU A 46 -1.121 -7.849 5.518 1.00 0.48 O ATOM 500 CB LEU A 46 -3.890 -6.793 7.020 1.00 0.74 C ATOM 501 CG LEU A 46 -5.329 -6.289 7.054 1.00 0.75 C ATOM 502 CD1 LEU A 46 -5.537 -5.370 8.247 1.00 1.28 C ATOM 503 CD2 LEU A 46 -5.683 -5.571 5.760 1.00 1.14 C ATOM 0 H LEU A 46 -5.231 -8.755 6.205 1.00 0.56 H new ATOM 0 HA LEU A 46 -3.462 -7.019 4.926 1.00 0.60 H new ATOM 0 HB2 LEU A 46 -3.712 -7.375 7.925 1.00 0.74 H new ATOM 0 HB3 LEU A 46 -3.226 -5.929 7.061 1.00 0.74 H new ATOM 0 HG LEU A 46 -5.991 -7.149 7.155 1.00 0.75 H new ATOM 0 HD11 LEU A 46 -6.568 -5.017 8.259 1.00 1.28 H new ATOM 0 HD12 LEU A 46 -5.329 -5.916 9.167 1.00 1.28 H new ATOM 0 HD13 LEU A 46 -4.863 -4.517 8.171 1.00 1.28 H new ATOM 0 HD21 LEU A 46 -6.714 -5.221 5.808 1.00 1.14 H new ATOM 0 HD22 LEU A 46 -5.017 -4.719 5.622 1.00 1.14 H new ATOM 0 HD23 LEU A 46 -5.572 -6.258 4.921 1.00 1.14 H new ATOM 515 N GLU A 47 -2.113 -9.213 7.012 1.00 0.49 N ATOM 516 CA GLU A 47 -0.881 -9.832 7.480 1.00 0.48 C ATOM 517 C GLU A 47 -0.109 -10.469 6.329 1.00 0.43 C ATOM 518 O GLU A 47 1.114 -10.327 6.235 1.00 0.45 O ATOM 519 CB GLU A 47 -1.205 -10.871 8.552 1.00 0.55 C ATOM 520 CG GLU A 47 0.021 -11.512 9.173 1.00 0.81 C ATOM 521 CD GLU A 47 -0.335 -12.461 10.292 1.00 1.06 C ATOM 522 OE1 GLU A 47 -0.805 -13.581 10.003 1.00 1.51 O ATOM 523 OE2 GLU A 47 -0.137 -12.099 11.471 1.00 1.76 O ATOM 0 H GLU A 47 -2.957 -9.591 7.443 1.00 0.49 H new ATOM 0 HA GLU A 47 -0.246 -9.058 7.911 1.00 0.48 H new ATOM 0 HB2 GLU A 47 -1.793 -10.397 9.338 1.00 0.55 H new ATOM 0 HB3 GLU A 47 -1.828 -11.650 8.113 1.00 0.55 H new ATOM 0 HG2 GLU A 47 0.575 -12.051 8.405 1.00 0.81 H new ATOM 0 HG3 GLU A 47 0.681 -10.734 9.556 1.00 0.81 H new ATOM 530 N VAL A 48 -0.825 -11.154 5.444 1.00 0.41 N ATOM 531 CA VAL A 48 -0.201 -11.767 4.282 1.00 0.42 C ATOM 532 C VAL A 48 0.378 -10.691 3.369 1.00 0.41 C ATOM 533 O VAL A 48 1.510 -10.804 2.896 1.00 0.43 O ATOM 534 CB VAL A 48 -1.195 -12.641 3.486 1.00 0.46 C ATOM 535 CG1 VAL A 48 -0.493 -13.347 2.337 1.00 0.49 C ATOM 536 CG2 VAL A 48 -1.867 -13.654 4.394 1.00 0.49 C ATOM 0 H VAL A 48 -1.833 -11.297 5.510 1.00 0.41 H new ATOM 0 HA VAL A 48 0.598 -12.414 4.645 1.00 0.42 H new ATOM 0 HB VAL A 48 -1.961 -11.986 3.072 1.00 0.46 H new ATOM 0 HG11 VAL A 48 -1.213 -13.957 1.791 1.00 0.49 H new ATOM 0 HG12 VAL A 48 -0.060 -12.606 1.665 1.00 0.49 H new ATOM 0 HG13 VAL A 48 0.298 -13.985 2.731 1.00 0.49 H new ATOM 0 HG21 VAL A 48 -2.563 -14.259 3.812 1.00 0.49 H new ATOM 0 HG22 VAL A 48 -1.111 -14.300 4.841 1.00 0.49 H new ATOM 0 HG23 VAL A 48 -2.410 -13.132 5.182 1.00 0.49 H new ATOM 546 N ALA A 49 -0.397 -9.631 3.150 1.00 0.41 N ATOM 547 CA ALA A 49 0.044 -8.514 2.324 1.00 0.43 C ATOM 548 C ALA A 49 1.278 -7.848 2.923 1.00 0.43 C ATOM 549 O ALA A 49 2.197 -7.465 2.199 1.00 0.48 O ATOM 550 CB ALA A 49 -1.076 -7.499 2.157 1.00 0.44 C ATOM 0 H ALA A 49 -1.335 -9.524 3.535 1.00 0.41 H new ATOM 0 HA ALA A 49 0.310 -8.905 1.342 1.00 0.43 H new ATOM 0 HB1 ALA A 49 -0.728 -6.672 1.538 1.00 0.44 H new ATOM 0 HB2 ALA A 49 -1.931 -7.976 1.679 1.00 0.44 H new ATOM 0 HB3 ALA A 49 -1.372 -7.120 3.135 1.00 0.44 H new ATOM 556 N ILE A 50 1.288 -7.721 4.247 1.00 0.40 N ATOM 557 CA ILE A 50 2.428 -7.168 4.968 1.00 0.40 C ATOM 558 C ILE A 50 3.709 -7.909 4.600 1.00 0.38 C ATOM 559 O ILE A 50 4.679 -7.301 4.152 1.00 0.41 O ATOM 560 CB ILE A 50 2.221 -7.246 6.502 1.00 0.43 C ATOM 561 CG1 ILE A 50 1.105 -6.298 6.948 1.00 0.53 C ATOM 562 CG2 ILE A 50 3.515 -6.927 7.241 1.00 0.47 C ATOM 563 CD1 ILE A 50 0.811 -6.361 8.434 1.00 0.61 C ATOM 0 H ILE A 50 0.510 -7.997 4.846 1.00 0.40 H new ATOM 0 HA ILE A 50 2.514 -6.121 4.678 1.00 0.40 H new ATOM 0 HB ILE A 50 1.927 -8.266 6.750 1.00 0.43 H new ATOM 0 HG12 ILE A 50 1.380 -5.277 6.684 1.00 0.53 H new ATOM 0 HG13 ILE A 50 0.196 -6.536 6.396 1.00 0.53 H new ATOM 0 HG21 ILE A 50 3.345 -6.988 8.316 1.00 0.47 H new ATOM 0 HG22 ILE A 50 4.284 -7.644 6.954 1.00 0.47 H new ATOM 0 HG23 ILE A 50 3.843 -5.920 6.982 1.00 0.47 H new ATOM 0 HD11 ILE A 50 0.010 -5.663 8.676 1.00 0.61 H new ATOM 0 HD12 ILE A 50 0.504 -7.372 8.702 1.00 0.61 H new ATOM 0 HD13 ILE A 50 1.707 -6.094 8.994 1.00 0.61 H new ATOM 575 N GLN A 51 3.693 -9.227 4.766 1.00 0.39 N ATOM 576 CA GLN A 51 4.868 -10.049 4.494 1.00 0.43 C ATOM 577 C GLN A 51 5.253 -9.997 3.018 1.00 0.43 C ATOM 578 O GLN A 51 6.438 -9.987 2.675 1.00 0.47 O ATOM 579 CB GLN A 51 4.611 -11.493 4.925 1.00 0.50 C ATOM 580 CG GLN A 51 4.406 -11.650 6.425 1.00 0.78 C ATOM 581 CD GLN A 51 5.620 -11.219 7.224 1.00 1.02 C ATOM 582 OE1 GLN A 51 5.664 -9.954 7.604 1.00 1.84 O flip ATOM 583 NE2 GLN A 51 6.515 -12.020 7.500 1.00 1.35 N flip ATOM 0 H GLN A 51 2.879 -9.750 5.088 1.00 0.39 H new ATOM 0 HA GLN A 51 5.701 -9.647 5.071 1.00 0.43 H new ATOM 0 HB2 GLN A 51 3.730 -11.868 4.404 1.00 0.50 H new ATOM 0 HB3 GLN A 51 5.453 -12.112 4.614 1.00 0.50 H new ATOM 0 HG2 GLN A 51 3.543 -11.060 6.734 1.00 0.78 H new ATOM 0 HG3 GLN A 51 4.178 -12.692 6.650 1.00 0.78 H new ATOM 0 HE21 GLN A 51 6.446 -12.989 7.189 1.00 1.35 H new ATOM 0 HE22 GLN A 51 7.325 -11.714 8.039 1.00 1.35 H new ATOM 592 N CYS A 52 4.250 -9.948 2.152 1.00 0.45 N ATOM 593 CA CYS A 52 4.484 -9.877 0.718 1.00 0.53 C ATOM 594 C CYS A 52 5.172 -8.567 0.343 1.00 0.53 C ATOM 595 O CYS A 52 6.190 -8.572 -0.340 1.00 0.60 O ATOM 596 CB CYS A 52 3.168 -10.015 -0.046 1.00 0.59 C ATOM 597 SG CYS A 52 2.324 -11.589 0.222 1.00 0.69 S ATOM 0 H CYS A 52 3.266 -9.956 2.419 1.00 0.45 H new ATOM 0 HA CYS A 52 5.140 -10.703 0.442 1.00 0.53 H new ATOM 0 HB2 CYS A 52 2.503 -9.203 0.248 1.00 0.59 H new ATOM 0 HB3 CYS A 52 3.364 -9.897 -1.112 1.00 0.59 H new ATOM 0 HG CYS A 52 1.816 -11.611 1.418 1.00 0.69 H new ATOM 603 N LEU A 53 4.627 -7.450 0.814 1.00 0.50 N ATOM 604 CA LEU A 53 5.180 -6.137 0.494 1.00 0.54 C ATOM 605 C LEU A 53 6.523 -5.924 1.179 1.00 0.51 C ATOM 606 O LEU A 53 7.420 -5.292 0.618 1.00 0.58 O ATOM 607 CB LEU A 53 4.198 -5.033 0.886 1.00 0.63 C ATOM 608 CG LEU A 53 2.907 -5.002 0.063 1.00 0.54 C ATOM 609 CD1 LEU A 53 1.977 -3.917 0.573 1.00 0.76 C ATOM 610 CD2 LEU A 53 3.213 -4.790 -1.416 1.00 0.61 C ATOM 0 H LEU A 53 3.805 -7.427 1.417 1.00 0.50 H new ATOM 0 HA LEU A 53 5.342 -6.094 -0.583 1.00 0.54 H new ATOM 0 HB2 LEU A 53 3.939 -5.153 1.938 1.00 0.63 H new ATOM 0 HB3 LEU A 53 4.698 -4.069 0.788 1.00 0.63 H new ATOM 0 HG LEU A 53 2.409 -5.965 0.174 1.00 0.54 H new ATOM 0 HD11 LEU A 53 1.065 -3.910 -0.024 1.00 0.76 H new ATOM 0 HD12 LEU A 53 1.727 -4.113 1.616 1.00 0.76 H new ATOM 0 HD13 LEU A 53 2.470 -2.948 0.494 1.00 0.76 H new ATOM 0 HD21 LEU A 53 2.281 -4.771 -1.981 1.00 0.61 H new ATOM 0 HD22 LEU A 53 3.736 -3.843 -1.547 1.00 0.61 H new ATOM 0 HD23 LEU A 53 3.841 -5.604 -1.778 1.00 0.61 H new ATOM 622 N GLU A 54 6.659 -6.465 2.383 1.00 0.47 N ATOM 623 CA GLU A 54 7.917 -6.416 3.114 1.00 0.51 C ATOM 624 C GLU A 54 9.030 -7.033 2.271 1.00 0.56 C ATOM 625 O GLU A 54 10.095 -6.439 2.082 1.00 0.65 O ATOM 626 CB GLU A 54 7.775 -7.174 4.439 1.00 0.56 C ATOM 627 CG GLU A 54 8.988 -7.075 5.341 1.00 0.73 C ATOM 628 CD GLU A 54 8.854 -7.914 6.591 1.00 1.05 C ATOM 629 OE1 GLU A 54 9.171 -9.121 6.536 1.00 1.62 O ATOM 630 OE2 GLU A 54 8.441 -7.372 7.637 1.00 1.65 O ATOM 0 H GLU A 54 5.907 -6.946 2.876 1.00 0.47 H new ATOM 0 HA GLU A 54 8.171 -5.377 3.326 1.00 0.51 H new ATOM 0 HB2 GLU A 54 6.906 -6.790 4.973 1.00 0.56 H new ATOM 0 HB3 GLU A 54 7.579 -8.225 4.225 1.00 0.56 H new ATOM 0 HG2 GLU A 54 9.873 -7.391 4.789 1.00 0.73 H new ATOM 0 HG3 GLU A 54 9.143 -6.033 5.622 1.00 0.73 H new ATOM 637 N THR A 55 8.752 -8.211 1.737 1.00 0.61 N ATOM 638 CA THR A 55 9.701 -8.919 0.896 1.00 0.78 C ATOM 639 C THR A 55 9.806 -8.257 -0.480 1.00 0.83 C ATOM 640 O THR A 55 10.874 -8.242 -1.093 1.00 0.98 O ATOM 641 CB THR A 55 9.277 -10.392 0.730 1.00 0.95 C ATOM 642 OG1 THR A 55 8.962 -10.951 2.013 1.00 1.00 O ATOM 643 CG2 THR A 55 10.384 -11.206 0.081 1.00 1.16 C ATOM 0 H THR A 55 7.868 -8.700 1.873 1.00 0.61 H new ATOM 0 HA THR A 55 10.676 -8.879 1.381 1.00 0.78 H new ATOM 0 HB THR A 55 8.399 -10.426 0.086 1.00 0.95 H new ATOM 0 HG1 THR A 55 8.077 -10.640 2.297 1.00 1.00 H new ATOM 0 HG21 THR A 55 10.060 -12.241 -0.025 1.00 1.16 H new ATOM 0 HG22 THR A 55 10.610 -10.794 -0.903 1.00 1.16 H new ATOM 0 HG23 THR A 55 11.277 -11.167 0.704 1.00 1.16 H new ATOM 651 N ALA A 56 8.692 -7.697 -0.943 1.00 0.77 N ATOM 652 CA ALA A 56 8.617 -7.056 -2.254 1.00 0.88 C ATOM 653 C ALA A 56 9.681 -5.979 -2.417 1.00 0.88 C ATOM 654 O ALA A 56 10.472 -6.013 -3.357 1.00 1.15 O ATOM 655 CB ALA A 56 7.237 -6.456 -2.471 1.00 0.90 C ATOM 0 H ALA A 56 7.816 -7.674 -0.421 1.00 0.77 H new ATOM 0 HA ALA A 56 8.800 -7.825 -3.005 1.00 0.88 H new ATOM 0 HB1 ALA A 56 7.196 -5.982 -3.452 1.00 0.90 H new ATOM 0 HB2 ALA A 56 6.485 -7.243 -2.417 1.00 0.90 H new ATOM 0 HB3 ALA A 56 7.039 -5.712 -1.700 1.00 0.90 H new ATOM 661 N PHE A 57 9.707 -5.031 -1.495 1.00 0.76 N ATOM 662 CA PHE A 57 10.628 -3.918 -1.585 1.00 1.05 C ATOM 663 C PHE A 57 11.947 -4.224 -0.881 1.00 1.56 C ATOM 664 O PHE A 57 12.849 -3.385 -0.835 1.00 2.05 O ATOM 665 CB PHE A 57 9.988 -2.674 -0.985 1.00 1.04 C ATOM 666 CG PHE A 57 8.711 -2.260 -1.662 1.00 0.93 C ATOM 667 CD1 PHE A 57 8.726 -1.394 -2.744 1.00 1.50 C ATOM 668 CD2 PHE A 57 7.492 -2.725 -1.204 1.00 1.47 C ATOM 669 CE1 PHE A 57 7.547 -1.005 -3.353 1.00 1.50 C ATOM 670 CE2 PHE A 57 6.313 -2.337 -1.803 1.00 1.46 C ATOM 671 CZ PHE A 57 6.338 -1.476 -2.878 1.00 0.92 C ATOM 0 H PHE A 57 9.099 -5.013 -0.676 1.00 0.76 H new ATOM 0 HA PHE A 57 10.849 -3.743 -2.638 1.00 1.05 H new ATOM 0 HB2 PHE A 57 9.786 -2.854 0.071 1.00 1.04 H new ATOM 0 HB3 PHE A 57 10.699 -1.850 -1.037 1.00 1.04 H new ATOM 0 HD1 PHE A 57 9.668 -1.019 -3.115 1.00 1.50 H new ATOM 0 HD2 PHE A 57 7.463 -3.403 -0.364 1.00 1.47 H new ATOM 0 HE1 PHE A 57 7.571 -0.334 -4.199 1.00 1.50 H new ATOM 0 HE2 PHE A 57 5.370 -2.708 -1.430 1.00 1.46 H new ATOM 0 HZ PHE A 57 5.415 -1.170 -3.348 1.00 0.92 H new ATOM 681 N GLY A 58 12.043 -5.431 -0.333 1.00 1.71 N ATOM 682 CA GLY A 58 13.263 -5.870 0.320 1.00 2.29 C ATOM 683 C GLY A 58 13.571 -5.082 1.576 1.00 2.05 C ATOM 684 O GLY A 58 14.714 -4.681 1.801 1.00 2.60 O ATOM 0 H GLY A 58 11.290 -6.119 -0.330 1.00 1.71 H new ATOM 0 HA2 GLY A 58 13.175 -6.927 0.572 1.00 2.29 H new ATOM 0 HA3 GLY A 58 14.097 -5.776 -0.376 1.00 2.29 H new ATOM 688 N VAL A 59 12.557 -4.860 2.395 1.00 1.35 N ATOM 689 CA VAL A 59 12.721 -4.097 3.626 1.00 1.13 C ATOM 690 C VAL A 59 12.211 -4.879 4.820 1.00 1.04 C ATOM 691 O VAL A 59 11.728 -6.001 4.677 1.00 1.22 O ATOM 692 CB VAL A 59 11.978 -2.743 3.575 1.00 0.93 C ATOM 693 CG1 VAL A 59 12.701 -1.769 2.666 1.00 1.23 C ATOM 694 CG2 VAL A 59 10.536 -2.927 3.117 1.00 1.00 C ATOM 0 H VAL A 59 11.608 -5.197 2.231 1.00 1.35 H new ATOM 0 HA VAL A 59 13.790 -3.909 3.729 1.00 1.13 H new ATOM 0 HB VAL A 59 11.964 -2.331 4.584 1.00 0.93 H new ATOM 0 HG11 VAL A 59 12.161 -0.822 2.644 1.00 1.23 H new ATOM 0 HG12 VAL A 59 13.711 -1.602 3.041 1.00 1.23 H new ATOM 0 HG13 VAL A 59 12.752 -2.181 1.658 1.00 1.23 H new ATOM 0 HG21 VAL A 59 10.036 -1.959 3.090 1.00 1.00 H new ATOM 0 HG22 VAL A 59 10.524 -3.369 2.121 1.00 1.00 H new ATOM 0 HG23 VAL A 59 10.015 -3.585 3.812 1.00 1.00 H new ATOM 704 N THR A 60 12.352 -4.293 5.995 1.00 1.18 N ATOM 705 CA THR A 60 11.749 -4.832 7.192 1.00 1.30 C ATOM 706 C THR A 60 10.757 -3.817 7.755 1.00 1.16 C ATOM 707 O THR A 60 10.497 -2.803 7.108 1.00 1.15 O ATOM 708 CB THR A 60 12.822 -5.202 8.236 1.00 1.94 C ATOM 709 OG1 THR A 60 13.859 -4.215 8.246 1.00 2.24 O ATOM 710 CG2 THR A 60 13.424 -6.568 7.935 1.00 2.38 C ATOM 0 H THR A 60 12.885 -3.436 6.142 1.00 1.18 H new ATOM 0 HA THR A 60 11.216 -5.749 6.942 1.00 1.30 H new ATOM 0 HB THR A 60 12.344 -5.238 9.215 1.00 1.94 H new ATOM 0 HG1 THR A 60 14.608 -4.533 8.792 1.00 2.24 H new ATOM 0 HG21 THR A 60 14.178 -6.807 8.685 1.00 2.38 H new ATOM 0 HG22 THR A 60 12.639 -7.324 7.956 1.00 2.38 H new ATOM 0 HG23 THR A 60 13.886 -6.552 6.948 1.00 2.38 H new ATOM 718 N VAL A 61 10.238 -4.086 8.956 1.00 1.41 N ATOM 719 CA VAL A 61 9.170 -3.312 9.586 1.00 1.59 C ATOM 720 C VAL A 61 9.238 -1.829 9.277 1.00 1.83 C ATOM 721 O VAL A 61 8.393 -1.259 8.591 1.00 2.11 O ATOM 722 CB VAL A 61 9.292 -3.425 11.110 1.00 1.81 C ATOM 723 CG1 VAL A 61 7.947 -3.503 11.752 1.00 2.21 C ATOM 724 CG2 VAL A 61 10.175 -4.580 11.516 1.00 1.95 C ATOM 0 H VAL A 61 10.558 -4.867 9.529 1.00 1.41 H new ATOM 0 HA VAL A 61 8.238 -3.720 9.194 1.00 1.59 H new ATOM 0 HB VAL A 61 9.775 -2.517 11.470 1.00 1.81 H new ATOM 0 HG11 VAL A 61 8.064 -3.583 12.833 1.00 2.21 H new ATOM 0 HG12 VAL A 61 7.377 -2.605 11.514 1.00 2.21 H new ATOM 0 HG13 VAL A 61 7.416 -4.379 11.379 1.00 2.21 H new ATOM 0 HG21 VAL A 61 10.236 -4.626 12.603 1.00 1.95 H new ATOM 0 HG22 VAL A 61 9.754 -5.511 11.136 1.00 1.95 H new ATOM 0 HG23 VAL A 61 11.173 -4.438 11.102 1.00 1.95 H new ATOM 734 N GLU A 62 10.250 -1.226 9.832 1.00 1.89 N ATOM 735 CA GLU A 62 10.452 0.189 9.767 1.00 2.16 C ATOM 736 C GLU A 62 11.925 0.422 9.742 1.00 1.64 C ATOM 737 O GLU A 62 12.416 1.561 9.746 1.00 1.65 O ATOM 738 CB GLU A 62 9.855 0.799 11.023 1.00 2.87 C ATOM 739 CG GLU A 62 10.503 0.303 12.308 1.00 3.13 C ATOM 740 CD GLU A 62 9.930 0.954 13.549 1.00 3.57 C ATOM 741 OE1 GLU A 62 10.356 2.079 13.888 1.00 4.01 O ATOM 742 OE2 GLU A 62 9.059 0.341 14.200 1.00 3.98 O ATOM 0 H GLU A 62 10.974 -1.719 10.355 1.00 1.89 H new ATOM 0 HA GLU A 62 9.986 0.632 8.887 1.00 2.16 H new ATOM 0 HB2 GLU A 62 9.952 1.883 10.972 1.00 2.87 H new ATOM 0 HB3 GLU A 62 8.789 0.576 11.054 1.00 2.87 H new ATOM 0 HG2 GLU A 62 10.376 -0.777 12.379 1.00 3.13 H new ATOM 0 HG3 GLU A 62 11.575 0.495 12.266 1.00 3.13 H new ATOM 749 N ASP A 63 12.581 -0.704 9.521 1.00 1.38 N ATOM 750 CA ASP A 63 13.722 -1.103 10.319 1.00 1.61 C ATOM 751 C ASP A 63 14.126 0.029 11.241 1.00 1.60 C ATOM 752 O ASP A 63 13.677 0.092 12.383 1.00 1.95 O ATOM 753 CB ASP A 63 14.866 -1.619 9.463 1.00 1.89 C ATOM 754 CG ASP A 63 16.005 -2.143 10.309 1.00 2.88 C ATOM 755 OD1 ASP A 63 16.901 -1.354 10.667 1.00 3.35 O ATOM 756 OD2 ASP A 63 16.004 -3.350 10.622 1.00 3.62 O ATOM 0 H ASP A 63 12.336 -1.365 8.784 1.00 1.38 H new ATOM 0 HA ASP A 63 13.435 -1.948 10.945 1.00 1.61 H new ATOM 0 HB2 ASP A 63 14.503 -2.412 8.810 1.00 1.89 H new ATOM 0 HB3 ASP A 63 15.229 -0.818 8.819 1.00 1.89 H new ATOM 761 N SER A 64 14.946 0.924 10.756 1.00 1.54 N ATOM 762 CA SER A 64 14.967 2.260 11.315 1.00 1.81 C ATOM 763 C SER A 64 15.078 3.298 10.215 1.00 1.74 C ATOM 764 O SER A 64 14.452 4.354 10.285 1.00 1.93 O ATOM 765 CB SER A 64 16.101 2.408 12.327 1.00 2.41 C ATOM 766 OG SER A 64 16.161 3.731 12.845 1.00 2.91 O ATOM 0 H SER A 64 15.599 0.762 9.989 1.00 1.54 H new ATOM 0 HA SER A 64 14.027 2.425 11.841 1.00 1.81 H new ATOM 0 HB2 SER A 64 15.957 1.701 13.144 1.00 2.41 H new ATOM 0 HB3 SER A 64 17.050 2.157 11.853 1.00 2.41 H new ATOM 0 HG SER A 64 16.895 3.796 13.491 1.00 2.91 H new ATOM 772 N ASP A 65 15.815 2.966 9.169 1.00 1.69 N ATOM 773 CA ASP A 65 16.214 3.949 8.167 1.00 2.03 C ATOM 774 C ASP A 65 15.032 4.466 7.361 1.00 1.90 C ATOM 775 O ASP A 65 15.125 5.498 6.697 1.00 2.28 O ATOM 776 CB ASP A 65 17.266 3.346 7.234 1.00 2.26 C ATOM 777 CG ASP A 65 17.782 4.336 6.208 1.00 2.89 C ATOM 778 OD1 ASP A 65 18.306 5.399 6.608 1.00 3.35 O ATOM 779 OD2 ASP A 65 17.684 4.049 4.998 1.00 3.46 O ATOM 0 H ASP A 65 16.152 2.020 8.988 1.00 1.69 H new ATOM 0 HA ASP A 65 16.639 4.801 8.697 1.00 2.03 H new ATOM 0 HB2 ASP A 65 18.102 2.977 7.828 1.00 2.26 H new ATOM 0 HB3 ASP A 65 16.837 2.487 6.719 1.00 2.26 H new ATOM 784 N LEU A 66 13.911 3.774 7.430 1.00 1.52 N ATOM 785 CA LEU A 66 12.757 4.185 6.669 1.00 1.61 C ATOM 786 C LEU A 66 11.660 4.680 7.591 1.00 1.45 C ATOM 787 O LEU A 66 10.529 4.897 7.161 1.00 1.72 O ATOM 788 CB LEU A 66 12.258 3.056 5.755 1.00 1.77 C ATOM 789 CG LEU A 66 12.291 1.635 6.328 1.00 1.59 C ATOM 790 CD1 LEU A 66 11.324 0.766 5.552 1.00 1.87 C ATOM 791 CD2 LEU A 66 13.690 1.034 6.248 1.00 1.57 C ATOM 0 H LEU A 66 13.779 2.937 7.998 1.00 1.52 H new ATOM 0 HA LEU A 66 13.053 5.012 6.024 1.00 1.61 H new ATOM 0 HB2 LEU A 66 11.231 3.282 5.466 1.00 1.77 H new ATOM 0 HB3 LEU A 66 12.855 3.068 4.843 1.00 1.77 H new ATOM 0 HG LEU A 66 12.003 1.681 7.378 1.00 1.59 H new ATOM 0 HD11 LEU A 66 11.342 -0.247 5.954 1.00 1.87 H new ATOM 0 HD12 LEU A 66 10.317 1.174 5.640 1.00 1.87 H new ATOM 0 HD13 LEU A 66 11.616 0.745 4.502 1.00 1.87 H new ATOM 0 HD21 LEU A 66 13.677 0.026 6.663 1.00 1.57 H new ATOM 0 HD22 LEU A 66 14.010 0.994 5.207 1.00 1.57 H new ATOM 0 HD23 LEU A 66 14.385 1.652 6.817 1.00 1.57 H new ATOM 803 N ALA A 67 12.017 4.880 8.857 1.00 1.30 N ATOM 804 CA ALA A 67 11.088 5.397 9.845 1.00 1.26 C ATOM 805 C ALA A 67 10.590 6.785 9.444 1.00 1.27 C ATOM 806 O ALA A 67 11.390 7.663 9.120 1.00 1.53 O ATOM 807 CB ALA A 67 11.739 5.448 11.211 1.00 1.48 C ATOM 0 H ALA A 67 12.951 4.689 9.220 1.00 1.30 H new ATOM 0 HA ALA A 67 10.232 4.723 9.892 1.00 1.26 H new ATOM 0 HB1 ALA A 67 11.028 5.838 11.939 1.00 1.48 H new ATOM 0 HB2 ALA A 67 12.046 4.444 11.506 1.00 1.48 H new ATOM 0 HB3 ALA A 67 12.613 6.098 11.173 1.00 1.48 H new ATOM 813 N LEU A 68 9.280 6.979 9.450 1.00 1.15 N ATOM 814 CA LEU A 68 8.698 8.269 9.101 1.00 1.28 C ATOM 815 C LEU A 68 7.860 8.804 10.256 1.00 1.55 C ATOM 816 O LEU A 68 7.191 8.026 10.936 1.00 1.55 O ATOM 817 CB LEU A 68 7.832 8.171 7.836 1.00 1.24 C ATOM 818 CG LEU A 68 8.577 7.849 6.535 1.00 1.18 C ATOM 819 CD1 LEU A 68 7.614 7.853 5.356 1.00 1.20 C ATOM 820 CD2 LEU A 68 9.705 8.842 6.296 1.00 1.18 C ATOM 0 H LEU A 68 8.598 6.260 9.693 1.00 1.15 H new ATOM 0 HA LEU A 68 9.520 8.957 8.901 1.00 1.28 H new ATOM 0 HB2 LEU A 68 7.074 7.404 7.997 1.00 1.24 H new ATOM 0 HB3 LEU A 68 7.306 9.117 7.706 1.00 1.24 H new ATOM 0 HG LEU A 68 9.011 6.854 6.631 1.00 1.18 H new ATOM 0 HD11 LEU A 68 8.159 7.623 4.440 1.00 1.20 H new ATOM 0 HD12 LEU A 68 6.840 7.103 5.516 1.00 1.20 H new ATOM 0 HD13 LEU A 68 7.153 8.837 5.266 1.00 1.20 H new ATOM 0 HD21 LEU A 68 10.218 8.593 5.367 1.00 1.18 H new ATOM 0 HD22 LEU A 68 9.294 9.849 6.224 1.00 1.18 H new ATOM 0 HD23 LEU A 68 10.412 8.796 7.125 1.00 1.18 H new ATOM 832 N PRO A 69 7.904 10.124 10.508 1.00 1.93 N ATOM 833 CA PRO A 69 7.203 10.748 11.640 1.00 2.35 C ATOM 834 C PRO A 69 5.749 10.296 11.783 1.00 2.24 C ATOM 835 O PRO A 69 5.340 9.831 12.850 1.00 2.61 O ATOM 836 CB PRO A 69 7.272 12.237 11.314 1.00 2.74 C ATOM 837 CG PRO A 69 8.516 12.387 10.509 1.00 2.56 C ATOM 838 CD PRO A 69 8.653 11.116 9.713 1.00 2.06 C ATOM 0 HA PRO A 69 7.661 10.475 12.591 1.00 2.35 H new ATOM 0 HB2 PRO A 69 6.395 12.561 10.753 1.00 2.74 H new ATOM 0 HB3 PRO A 69 7.311 12.840 12.221 1.00 2.74 H new ATOM 0 HG2 PRO A 69 8.453 13.254 9.851 1.00 2.56 H new ATOM 0 HG3 PRO A 69 9.382 12.539 11.154 1.00 2.56 H new ATOM 0 HD2 PRO A 69 8.236 11.224 8.712 1.00 2.06 H new ATOM 0 HD3 PRO A 69 9.698 10.828 9.595 1.00 2.06 H new ATOM 846 N GLN A 70 4.977 10.413 10.709 1.00 1.83 N ATOM 847 CA GLN A 70 3.569 10.042 10.745 1.00 1.81 C ATOM 848 C GLN A 70 3.326 8.841 9.844 1.00 1.42 C ATOM 849 O GLN A 70 4.122 8.558 8.947 1.00 1.30 O ATOM 850 CB GLN A 70 2.685 11.218 10.305 1.00 1.92 C ATOM 851 CG GLN A 70 2.558 11.389 8.795 1.00 1.65 C ATOM 852 CD GLN A 70 1.672 12.561 8.424 1.00 2.17 C ATOM 853 OE1 GLN A 70 0.452 12.425 8.326 1.00 2.65 O ATOM 854 NE2 GLN A 70 2.277 13.709 8.178 1.00 2.75 N ATOM 0 H GLN A 70 5.301 10.760 9.806 1.00 1.83 H new ATOM 0 HA GLN A 70 3.307 9.780 11.770 1.00 1.81 H new ATOM 0 HB2 GLN A 70 1.689 11.084 10.727 1.00 1.92 H new ATOM 0 HB3 GLN A 70 3.089 12.137 10.728 1.00 1.92 H new ATOM 0 HG2 GLN A 70 3.548 11.533 8.363 1.00 1.65 H new ATOM 0 HG3 GLN A 70 2.151 10.476 8.361 1.00 1.65 H new ATOM 0 HE21 GLN A 70 3.290 13.782 8.270 1.00 2.75 H new ATOM 0 HE22 GLN A 70 1.731 14.523 7.896 1.00 2.75 H new ATOM 863 N THR A 71 2.231 8.133 10.085 1.00 1.36 N ATOM 864 CA THR A 71 1.876 7.002 9.251 1.00 1.13 C ATOM 865 C THR A 71 1.333 7.489 7.915 1.00 0.86 C ATOM 866 O THR A 71 0.581 8.462 7.846 1.00 0.83 O ATOM 867 CB THR A 71 0.835 6.093 9.935 1.00 1.23 C ATOM 868 OG1 THR A 71 -0.326 6.850 10.296 1.00 1.53 O ATOM 869 CG2 THR A 71 1.421 5.432 11.172 1.00 1.55 C ATOM 0 H THR A 71 1.580 8.323 10.847 1.00 1.36 H new ATOM 0 HA THR A 71 2.780 6.415 9.089 1.00 1.13 H new ATOM 0 HB THR A 71 0.550 5.315 9.226 1.00 1.23 H new ATOM 0 HG1 THR A 71 -0.979 6.261 10.728 1.00 1.53 H new ATOM 0 HG21 THR A 71 0.667 4.796 11.636 1.00 1.55 H new ATOM 0 HG22 THR A 71 2.282 4.826 10.888 1.00 1.55 H new ATOM 0 HG23 THR A 71 1.735 6.199 11.880 1.00 1.55 H new ATOM 877 N LEU A 72 1.728 6.799 6.858 1.00 0.80 N ATOM 878 CA LEU A 72 1.408 7.209 5.500 1.00 0.65 C ATOM 879 C LEU A 72 -0.066 7.003 5.138 1.00 0.65 C ATOM 880 O LEU A 72 -0.622 7.851 4.461 1.00 0.66 O ATOM 881 CB LEU A 72 2.315 6.495 4.506 1.00 0.78 C ATOM 882 CG LEU A 72 3.811 6.733 4.715 1.00 0.97 C ATOM 883 CD1 LEU A 72 4.618 6.068 3.612 1.00 1.47 C ATOM 884 CD2 LEU A 72 4.114 8.220 4.791 1.00 1.79 C ATOM 0 H LEU A 72 2.278 5.942 6.916 1.00 0.80 H new ATOM 0 HA LEU A 72 1.586 8.283 5.445 1.00 0.65 H new ATOM 0 HB2 LEU A 72 2.121 5.424 4.563 1.00 0.78 H new ATOM 0 HB3 LEU A 72 2.048 6.814 3.498 1.00 0.78 H new ATOM 0 HG LEU A 72 4.101 6.283 5.664 1.00 0.97 H new ATOM 0 HD11 LEU A 72 5.680 6.249 3.779 1.00 1.47 H new ATOM 0 HD12 LEU A 72 4.427 4.995 3.618 1.00 1.47 H new ATOM 0 HD13 LEU A 72 4.326 6.483 2.647 1.00 1.47 H new ATOM 0 HD21 LEU A 72 5.184 8.366 4.940 1.00 1.79 H new ATOM 0 HD22 LEU A 72 3.808 8.702 3.862 1.00 1.79 H new ATOM 0 HD23 LEU A 72 3.568 8.660 5.625 1.00 1.79 H new ATOM 896 N PRO A 73 -0.730 5.887 5.544 1.00 0.75 N ATOM 897 CA PRO A 73 -2.174 5.707 5.304 1.00 0.84 C ATOM 898 C PRO A 73 -3.004 6.940 5.672 1.00 0.80 C ATOM 899 O PRO A 73 -3.978 7.264 4.994 1.00 0.82 O ATOM 900 CB PRO A 73 -2.527 4.531 6.210 1.00 1.03 C ATOM 901 CG PRO A 73 -1.287 3.713 6.234 1.00 1.07 C ATOM 902 CD PRO A 73 -0.147 4.697 6.200 1.00 0.84 C ATOM 0 HA PRO A 73 -2.392 5.541 4.249 1.00 0.84 H new ATOM 0 HB2 PRO A 73 -2.804 4.866 7.210 1.00 1.03 H new ATOM 0 HB3 PRO A 73 -3.372 3.964 5.818 1.00 1.03 H new ATOM 0 HG2 PRO A 73 -1.243 3.095 7.131 1.00 1.07 H new ATOM 0 HG3 PRO A 73 -1.247 3.038 5.379 1.00 1.07 H new ATOM 0 HD2 PRO A 73 0.212 4.928 7.203 1.00 0.84 H new ATOM 0 HD3 PRO A 73 0.702 4.307 5.639 1.00 0.84 H new ATOM 910 N GLU A 74 -2.597 7.633 6.731 1.00 0.78 N ATOM 911 CA GLU A 74 -3.272 8.854 7.156 1.00 0.78 C ATOM 912 C GLU A 74 -3.071 9.949 6.108 1.00 0.64 C ATOM 913 O GLU A 74 -4.012 10.658 5.735 1.00 0.64 O ATOM 914 CB GLU A 74 -2.727 9.304 8.511 1.00 0.87 C ATOM 915 CG GLU A 74 -3.550 10.393 9.176 1.00 1.22 C ATOM 916 CD GLU A 74 -3.002 10.781 10.530 1.00 1.48 C ATOM 917 OE1 GLU A 74 -2.868 9.895 11.398 1.00 1.67 O ATOM 918 OE2 GLU A 74 -2.681 11.970 10.729 1.00 2.28 O ATOM 0 H GLU A 74 -1.801 7.369 7.312 1.00 0.78 H new ATOM 0 HA GLU A 74 -4.340 8.659 7.257 1.00 0.78 H new ATOM 0 HB2 GLU A 74 -2.679 8.442 9.176 1.00 0.87 H new ATOM 0 HB3 GLU A 74 -1.706 9.663 8.380 1.00 0.87 H new ATOM 0 HG2 GLU A 74 -3.574 11.272 8.531 1.00 1.22 H new ATOM 0 HG3 GLU A 74 -4.579 10.051 9.288 1.00 1.22 H new ATOM 925 N ILE A 75 -1.834 10.067 5.629 1.00 0.58 N ATOM 926 CA ILE A 75 -1.509 10.960 4.521 1.00 0.53 C ATOM 927 C ILE A 75 -2.321 10.579 3.293 1.00 0.49 C ATOM 928 O ILE A 75 -2.797 11.435 2.552 1.00 0.53 O ATOM 929 CB ILE A 75 -0.009 10.876 4.149 1.00 0.60 C ATOM 930 CG1 ILE A 75 0.862 11.348 5.309 1.00 0.73 C ATOM 931 CG2 ILE A 75 0.290 11.684 2.889 1.00 0.68 C ATOM 932 CD1 ILE A 75 2.343 11.272 5.010 1.00 1.38 C ATOM 0 H ILE A 75 -1.035 9.550 5.996 1.00 0.58 H new ATOM 0 HA ILE A 75 -1.744 11.975 4.841 1.00 0.53 H new ATOM 0 HB ILE A 75 0.228 9.832 3.944 1.00 0.60 H new ATOM 0 HG12 ILE A 75 0.600 12.377 5.557 1.00 0.73 H new ATOM 0 HG13 ILE A 75 0.644 10.743 6.189 1.00 0.73 H new ATOM 0 HG21 ILE A 75 1.351 11.607 2.651 1.00 0.68 H new ATOM 0 HG22 ILE A 75 -0.298 11.293 2.058 1.00 0.68 H new ATOM 0 HG23 ILE A 75 0.031 12.729 3.057 1.00 0.68 H new ATOM 0 HD11 ILE A 75 2.907 11.622 5.875 1.00 1.38 H new ATOM 0 HD12 ILE A 75 2.617 10.240 4.791 1.00 1.38 H new ATOM 0 HD13 ILE A 75 2.573 11.899 4.149 1.00 1.38 H new ATOM 944 N PHE A 76 -2.482 9.282 3.098 1.00 0.50 N ATOM 945 CA PHE A 76 -3.151 8.762 1.923 1.00 0.56 C ATOM 946 C PHE A 76 -4.629 9.135 1.929 1.00 0.60 C ATOM 947 O PHE A 76 -5.208 9.419 0.887 1.00 0.72 O ATOM 948 CB PHE A 76 -2.977 7.242 1.828 1.00 0.65 C ATOM 949 CG PHE A 76 -1.539 6.788 1.751 1.00 2.05 C ATOM 950 CD1 PHE A 76 -0.516 7.688 1.485 1.00 2.12 C ATOM 951 CD2 PHE A 76 -1.213 5.459 1.947 1.00 2.34 C ATOM 952 CE1 PHE A 76 0.797 7.264 1.415 1.00 2.24 C ATOM 953 CE2 PHE A 76 0.098 5.029 1.875 1.00 2.34 C ATOM 954 CZ PHE A 76 1.103 5.933 1.608 1.00 2.36 C ATOM 0 H PHE A 76 -2.155 8.566 3.746 1.00 0.50 H new ATOM 0 HA PHE A 76 -2.691 9.215 1.045 1.00 0.56 H new ATOM 0 HB2 PHE A 76 -3.447 6.779 2.696 1.00 0.65 H new ATOM 0 HB3 PHE A 76 -3.508 6.881 0.947 1.00 0.65 H new ATOM 0 HD1 PHE A 76 -0.749 8.731 1.331 1.00 2.12 H new ATOM 0 HD2 PHE A 76 -1.995 4.746 2.160 1.00 2.34 H new ATOM 0 HE1 PHE A 76 1.584 7.975 1.209 1.00 2.24 H new ATOM 0 HE2 PHE A 76 0.335 3.986 2.028 1.00 2.34 H new ATOM 0 HZ PHE A 76 2.129 5.600 1.550 1.00 2.36 H new ATOM 964 N GLU A 77 -5.239 9.157 3.100 1.00 0.63 N ATOM 965 CA GLU A 77 -6.637 9.552 3.199 1.00 0.73 C ATOM 966 C GLU A 77 -6.784 11.066 3.062 1.00 0.69 C ATOM 967 O GLU A 77 -7.876 11.576 2.816 1.00 0.80 O ATOM 968 CB GLU A 77 -7.253 9.069 4.511 1.00 0.90 C ATOM 969 CG GLU A 77 -7.242 7.557 4.659 1.00 1.56 C ATOM 970 CD GLU A 77 -8.230 7.064 5.694 1.00 1.94 C ATOM 971 OE1 GLU A 77 -9.396 6.817 5.329 1.00 2.41 O ATOM 972 OE2 GLU A 77 -7.844 6.918 6.875 1.00 2.52 O ATOM 0 H GLU A 77 -4.798 8.910 3.986 1.00 0.63 H new ATOM 0 HA GLU A 77 -7.176 9.079 2.378 1.00 0.73 H new ATOM 0 HB2 GLU A 77 -6.709 9.513 5.345 1.00 0.90 H new ATOM 0 HB3 GLU A 77 -8.281 9.426 4.575 1.00 0.90 H new ATOM 0 HG2 GLU A 77 -7.472 7.100 3.696 1.00 1.56 H new ATOM 0 HG3 GLU A 77 -6.239 7.230 4.935 1.00 1.56 H new ATOM 979 N ALA A 78 -5.674 11.778 3.213 1.00 0.61 N ATOM 980 CA ALA A 78 -5.665 13.228 3.062 1.00 0.62 C ATOM 981 C ALA A 78 -5.394 13.638 1.613 1.00 0.60 C ATOM 982 O ALA A 78 -6.170 14.377 1.012 1.00 0.65 O ATOM 983 CB ALA A 78 -4.625 13.844 3.985 1.00 0.64 C ATOM 0 H ALA A 78 -4.766 11.373 3.441 1.00 0.61 H new ATOM 0 HA ALA A 78 -6.653 13.600 3.335 1.00 0.62 H new ATOM 0 HB1 ALA A 78 -4.627 14.927 3.864 1.00 0.64 H new ATOM 0 HB2 ALA A 78 -4.863 13.594 5.019 1.00 0.64 H new ATOM 0 HB3 ALA A 78 -3.639 13.453 3.735 1.00 0.64 H new ATOM 989 N ALA A 79 -4.294 13.150 1.060 1.00 0.65 N ATOM 990 CA ALA A 79 -3.868 13.529 -0.285 1.00 0.75 C ATOM 991 C ALA A 79 -4.483 12.633 -1.345 1.00 0.86 C ATOM 992 O ALA A 79 -5.097 13.105 -2.299 1.00 0.99 O ATOM 993 CB ALA A 79 -2.356 13.448 -0.396 1.00 0.83 C ATOM 0 H ALA A 79 -3.674 12.486 1.523 1.00 0.65 H new ATOM 0 HA ALA A 79 -4.207 14.551 -0.454 1.00 0.75 H new ATOM 0 HB1 ALA A 79 -2.049 13.733 -1.403 1.00 0.83 H new ATOM 0 HB2 ALA A 79 -1.901 14.125 0.327 1.00 0.83 H new ATOM 0 HB3 ALA A 79 -2.030 12.428 -0.192 1.00 0.83 H new ATOM 999 N ALA A 80 -4.317 11.334 -1.156 1.00 0.91 N ATOM 1000 CA ALA A 80 -4.698 10.349 -2.157 1.00 1.12 C ATOM 1001 C ALA A 80 -6.213 10.270 -2.329 1.00 1.27 C ATOM 1002 O ALA A 80 -6.704 9.633 -3.253 1.00 1.56 O ATOM 1003 CB ALA A 80 -4.125 8.991 -1.783 1.00 1.25 C ATOM 0 H ALA A 80 -3.916 10.933 -0.308 1.00 0.91 H new ATOM 0 HA ALA A 80 -4.285 10.662 -3.116 1.00 1.12 H new ATOM 0 HB1 ALA A 80 -4.412 8.255 -2.534 1.00 1.25 H new ATOM 0 HB2 ALA A 80 -3.038 9.055 -1.735 1.00 1.25 H new ATOM 0 HB3 ALA A 80 -4.514 8.687 -0.811 1.00 1.25 H new ATOM 1009 N THR A 81 -6.947 10.924 -1.439 1.00 1.23 N ATOM 1010 CA THR A 81 -8.398 10.965 -1.535 1.00 1.46 C ATOM 1011 C THR A 81 -8.838 11.867 -2.693 1.00 1.63 C ATOM 1012 O THR A 81 -9.983 11.807 -3.148 1.00 1.89 O ATOM 1013 CB THR A 81 -9.032 11.460 -0.214 1.00 1.60 C ATOM 1014 OG1 THR A 81 -10.438 11.190 -0.205 1.00 2.33 O ATOM 1015 CG2 THR A 81 -8.806 12.952 -0.023 1.00 1.65 C ATOM 0 H THR A 81 -6.561 11.433 -0.644 1.00 1.23 H new ATOM 0 HA THR A 81 -8.745 9.949 -1.725 1.00 1.46 H new ATOM 0 HB THR A 81 -8.552 10.925 0.605 1.00 1.60 H new ATOM 0 HG1 THR A 81 -10.827 11.507 0.637 1.00 2.33 H new ATOM 0 HG21 THR A 81 -9.262 13.272 0.914 1.00 1.65 H new ATOM 0 HG22 THR A 81 -7.736 13.157 0.006 1.00 1.65 H new ATOM 0 HG23 THR A 81 -9.258 13.497 -0.852 1.00 1.65 H new ATOM 1023 N GLY A 82 -7.918 12.698 -3.169 1.00 1.69 N ATOM 1024 CA GLY A 82 -8.221 13.596 -4.260 1.00 2.14 C ATOM 1025 C GLY A 82 -7.046 14.487 -4.597 1.00 2.00 C ATOM 1026 O GLY A 82 -6.769 15.455 -3.886 1.00 2.59 O ATOM 0 H GLY A 82 -6.964 12.763 -2.815 1.00 1.69 H new ATOM 0 HA2 GLY A 82 -8.502 13.017 -5.140 1.00 2.14 H new ATOM 0 HA3 GLY A 82 -9.080 14.212 -3.996 1.00 2.14 H new ATOM 1030 N LYS A 83 -6.349 14.161 -5.673 1.00 1.89 N ATOM 1031 CA LYS A 83 -5.180 14.916 -6.083 1.00 2.11 C ATOM 1032 C LYS A 83 -5.001 14.817 -7.594 1.00 2.84 C ATOM 1033 O LYS A 83 -5.296 15.805 -8.296 1.00 3.20 O ATOM 1034 CB LYS A 83 -3.938 14.398 -5.352 1.00 2.31 C ATOM 1035 CG LYS A 83 -2.693 15.240 -5.572 1.00 2.78 C ATOM 1036 CD LYS A 83 -1.543 14.759 -4.701 1.00 3.44 C ATOM 1037 CE LYS A 83 -0.288 15.589 -4.907 1.00 3.93 C ATOM 1038 NZ LYS A 83 -0.482 17.010 -4.515 1.00 4.41 N ATOM 1039 OXT LYS A 83 -4.600 13.738 -8.079 1.00 3.62 O ATOM 0 H LYS A 83 -6.576 13.374 -6.280 1.00 1.89 H new ATOM 0 HA LYS A 83 -5.319 15.965 -5.821 1.00 2.11 H new ATOM 0 HB2 LYS A 83 -4.150 14.354 -4.284 1.00 2.31 H new ATOM 0 HB3 LYS A 83 -3.736 13.378 -5.679 1.00 2.31 H new ATOM 0 HG2 LYS A 83 -2.401 15.195 -6.621 1.00 2.78 H new ATOM 0 HG3 LYS A 83 -2.912 16.284 -5.346 1.00 2.78 H new ATOM 0 HD2 LYS A 83 -1.839 14.803 -3.653 1.00 3.44 H new ATOM 0 HD3 LYS A 83 -1.328 13.715 -4.928 1.00 3.44 H new ATOM 0 HE2 LYS A 83 0.528 15.161 -4.324 1.00 3.93 H new ATOM 0 HE3 LYS A 83 0.009 15.540 -5.955 1.00 3.93 H new ATOM 0 HZ1 LYS A 83 0.439 17.493 -4.494 1.00 4.41 H new ATOM 0 HZ2 LYS A 83 -1.104 17.479 -5.205 1.00 4.41 H new ATOM 0 HZ3 LYS A 83 -0.917 17.054 -3.571 1.00 4.41 H new ATOM 1054 N MET B 15 -16.469 8.907 4.143 1.00 2.24 N ATOM 1055 CA MET B 15 -15.916 8.194 2.971 1.00 1.67 C ATOM 1056 C MET B 15 -14.620 7.486 3.341 1.00 1.40 C ATOM 1057 O MET B 15 -13.611 8.128 3.629 1.00 1.55 O ATOM 1058 CB MET B 15 -15.666 9.177 1.826 1.00 1.81 C ATOM 1059 CG MET B 15 -14.968 8.561 0.624 1.00 2.21 C ATOM 1060 SD MET B 15 -14.653 9.756 -0.688 1.00 3.03 S ATOM 1061 CE MET B 15 -13.693 10.986 0.192 1.00 3.68 C ATOM 0 HA MET B 15 -16.641 7.448 2.646 1.00 1.67 H new ATOM 0 HB2 MET B 15 -16.620 9.595 1.505 1.00 1.81 H new ATOM 0 HB3 MET B 15 -15.064 10.006 2.197 1.00 1.81 H new ATOM 0 HG2 MET B 15 -14.023 8.122 0.944 1.00 2.21 H new ATOM 0 HG3 MET B 15 -15.580 7.749 0.231 1.00 2.21 H new ATOM 0 HE1 MET B 15 -12.988 11.456 -0.494 1.00 3.68 H new ATOM 0 HE2 MET B 15 -14.361 11.744 0.602 1.00 3.68 H new ATOM 0 HE3 MET B 15 -13.145 10.508 1.004 1.00 3.68 H new ATOM 1073 N ASP B 16 -14.651 6.162 3.331 1.00 1.24 N ATOM 1074 CA ASP B 16 -13.475 5.368 3.658 1.00 1.13 C ATOM 1075 C ASP B 16 -12.526 5.317 2.473 1.00 0.91 C ATOM 1076 O ASP B 16 -12.653 4.457 1.600 1.00 1.01 O ATOM 1077 CB ASP B 16 -13.866 3.940 4.061 1.00 1.39 C ATOM 1078 CG ASP B 16 -14.656 3.883 5.351 1.00 1.84 C ATOM 1079 OD1 ASP B 16 -15.888 4.095 5.305 1.00 2.27 O ATOM 1080 OD2 ASP B 16 -14.054 3.619 6.413 1.00 2.42 O ATOM 0 H ASP B 16 -15.479 5.613 3.100 1.00 1.24 H new ATOM 0 HA ASP B 16 -12.977 5.845 4.502 1.00 1.13 H new ATOM 0 HB2 ASP B 16 -14.455 3.491 3.261 1.00 1.39 H new ATOM 0 HB3 ASP B 16 -12.963 3.339 4.168 1.00 1.39 H new ATOM 1085 N ASN B 17 -11.566 6.236 2.444 1.00 0.78 N ATOM 1086 CA ASN B 17 -10.575 6.266 1.370 1.00 0.75 C ATOM 1087 C ASN B 17 -9.601 5.105 1.538 1.00 0.62 C ATOM 1088 O ASN B 17 -8.752 4.850 0.683 1.00 0.65 O ATOM 1089 CB ASN B 17 -9.834 7.609 1.349 1.00 0.93 C ATOM 1090 CG ASN B 17 -8.944 7.765 0.126 1.00 1.57 C ATOM 1091 OD1 ASN B 17 -9.413 8.128 -0.952 1.00 2.52 O ATOM 1092 ND2 ASN B 17 -7.653 7.515 0.287 1.00 1.71 N ATOM 0 H ASN B 17 -11.452 6.966 3.147 1.00 0.78 H new ATOM 0 HA ASN B 17 -11.086 6.158 0.413 1.00 0.75 H new ATOM 0 HB2 ASN B 17 -10.560 8.421 1.371 1.00 0.93 H new ATOM 0 HB3 ASN B 17 -9.227 7.699 2.250 1.00 0.93 H new ATOM 0 HD21 ASN B 17 -7.011 7.622 -0.498 1.00 1.71 H new ATOM 0 HD22 ASN B 17 -7.301 7.216 1.196 1.00 1.71 H new ATOM 1099 N LYS B 18 -9.758 4.399 2.653 1.00 0.59 N ATOM 1100 CA LYS B 18 -9.016 3.175 2.941 1.00 0.62 C ATOM 1101 C LYS B 18 -9.029 2.254 1.723 1.00 0.54 C ATOM 1102 O LYS B 18 -7.994 1.743 1.295 1.00 0.48 O ATOM 1103 CB LYS B 18 -9.673 2.439 4.116 1.00 0.82 C ATOM 1104 CG LYS B 18 -9.961 3.308 5.336 1.00 1.09 C ATOM 1105 CD LYS B 18 -8.751 3.462 6.241 1.00 1.04 C ATOM 1106 CE LYS B 18 -8.395 2.151 6.924 1.00 1.43 C ATOM 1107 NZ LYS B 18 -7.537 2.363 8.120 1.00 1.89 N ATOM 0 H LYS B 18 -10.411 4.663 3.391 1.00 0.59 H new ATOM 0 HA LYS B 18 -7.989 3.441 3.190 1.00 0.62 H new ATOM 0 HB2 LYS B 18 -10.609 1.998 3.772 1.00 0.82 H new ATOM 0 HB3 LYS B 18 -9.025 1.616 4.419 1.00 0.82 H new ATOM 0 HG2 LYS B 18 -10.291 4.293 5.006 1.00 1.09 H new ATOM 0 HG3 LYS B 18 -10.782 2.870 5.904 1.00 1.09 H new ATOM 0 HD2 LYS B 18 -7.900 3.811 5.656 1.00 1.04 H new ATOM 0 HD3 LYS B 18 -8.954 4.223 6.995 1.00 1.04 H new ATOM 0 HE2 LYS B 18 -9.309 1.636 7.220 1.00 1.43 H new ATOM 0 HE3 LYS B 18 -7.878 1.502 6.217 1.00 1.43 H new ATOM 0 HZ1 LYS B 18 -7.275 1.442 8.527 1.00 1.89 H new ATOM 0 HZ2 LYS B 18 -6.676 2.877 7.843 1.00 1.89 H new ATOM 0 HZ3 LYS B 18 -8.059 2.918 8.828 1.00 1.89 H new ATOM 1121 N LYS B 19 -10.221 2.080 1.160 1.00 0.61 N ATOM 1122 CA LYS B 19 -10.437 1.167 0.042 1.00 0.61 C ATOM 1123 C LYS B 19 -9.642 1.604 -1.178 1.00 0.53 C ATOM 1124 O LYS B 19 -9.142 0.784 -1.945 1.00 0.55 O ATOM 1125 CB LYS B 19 -11.921 1.134 -0.328 1.00 0.77 C ATOM 1126 CG LYS B 19 -12.858 1.190 0.865 1.00 0.82 C ATOM 1127 CD LYS B 19 -14.316 1.069 0.441 1.00 1.20 C ATOM 1128 CE LYS B 19 -14.760 2.253 -0.408 1.00 1.06 C ATOM 1129 NZ LYS B 19 -16.200 2.174 -0.770 1.00 1.49 N ATOM 0 H LYS B 19 -11.063 2.567 1.465 1.00 0.61 H new ATOM 0 HA LYS B 19 -10.104 0.176 0.351 1.00 0.61 H new ATOM 0 HB2 LYS B 19 -12.139 1.974 -0.987 1.00 0.77 H new ATOM 0 HB3 LYS B 19 -12.123 0.224 -0.893 1.00 0.77 H new ATOM 0 HG2 LYS B 19 -12.613 0.386 1.559 1.00 0.82 H new ATOM 0 HG3 LYS B 19 -12.711 2.128 1.400 1.00 0.82 H new ATOM 0 HD2 LYS B 19 -14.455 0.146 -0.122 1.00 1.20 H new ATOM 0 HD3 LYS B 19 -14.947 1.000 1.327 1.00 1.20 H new ATOM 0 HE2 LYS B 19 -14.574 3.179 0.136 1.00 1.06 H new ATOM 0 HE3 LYS B 19 -14.160 2.292 -1.317 1.00 1.06 H new ATOM 0 HZ1 LYS B 19 -16.459 2.999 -1.347 1.00 1.49 H new ATOM 0 HZ2 LYS B 19 -16.374 1.304 -1.312 1.00 1.49 H new ATOM 0 HZ3 LYS B 19 -16.776 2.163 0.096 1.00 1.49 H new ATOM 1143 N ARG B 20 -9.524 2.908 -1.340 1.00 0.55 N ATOM 1144 CA ARG B 20 -8.923 3.480 -2.529 1.00 0.59 C ATOM 1145 C ARG B 20 -7.410 3.529 -2.409 1.00 0.55 C ATOM 1146 O ARG B 20 -6.699 3.722 -3.395 1.00 0.61 O ATOM 1147 CB ARG B 20 -9.526 4.848 -2.805 1.00 0.70 C ATOM 1148 CG ARG B 20 -11.041 4.787 -2.869 1.00 0.82 C ATOM 1149 CD ARG B 20 -11.628 5.989 -3.574 1.00 1.01 C ATOM 1150 NE ARG B 20 -11.315 7.243 -2.890 1.00 1.31 N ATOM 1151 CZ ARG B 20 -12.030 8.359 -3.012 1.00 1.46 C ATOM 1152 NH1 ARG B 20 -13.109 8.383 -3.786 1.00 1.33 N ATOM 1153 NH2 ARG B 20 -11.667 9.450 -2.353 1.00 2.34 N ATOM 0 H ARG B 20 -9.840 3.596 -0.656 1.00 0.55 H new ATOM 0 HA ARG B 20 -9.143 2.840 -3.383 1.00 0.59 H new ATOM 0 HB2 ARG B 20 -9.222 5.545 -2.024 1.00 0.70 H new ATOM 0 HB3 ARG B 20 -9.137 5.235 -3.747 1.00 0.70 H new ATOM 0 HG2 ARG B 20 -11.345 3.878 -3.388 1.00 0.82 H new ATOM 0 HG3 ARG B 20 -11.444 4.727 -1.858 1.00 0.82 H new ATOM 0 HD2 ARG B 20 -11.248 6.030 -4.595 1.00 1.01 H new ATOM 0 HD3 ARG B 20 -12.710 5.875 -3.641 1.00 1.01 H new ATOM 0 HE ARG B 20 -10.497 7.264 -2.281 1.00 1.31 H new ATOM 0 HH11 ARG B 20 -13.393 7.543 -4.291 1.00 1.33 H new ATOM 0 HH12 ARG B 20 -13.653 9.241 -3.876 1.00 1.33 H new ATOM 0 HH21 ARG B 20 -10.841 9.433 -1.754 1.00 2.34 H new ATOM 0 HH22 ARG B 20 -12.213 10.307 -2.445 1.00 2.34 H new ATOM 1167 N LEU B 21 -6.919 3.371 -1.195 1.00 0.54 N ATOM 1168 CA LEU B 21 -5.504 3.141 -0.994 1.00 0.58 C ATOM 1169 C LEU B 21 -5.113 1.836 -1.680 1.00 0.57 C ATOM 1170 O LEU B 21 -4.157 1.790 -2.458 1.00 0.64 O ATOM 1171 CB LEU B 21 -5.174 3.094 0.499 1.00 0.64 C ATOM 1172 CG LEU B 21 -3.782 2.564 0.849 1.00 0.60 C ATOM 1173 CD1 LEU B 21 -2.710 3.265 0.024 1.00 0.70 C ATOM 1174 CD2 LEU B 21 -3.510 2.757 2.328 1.00 0.61 C ATOM 0 H LEU B 21 -7.475 3.398 -0.340 1.00 0.54 H new ATOM 0 HA LEU B 21 -4.934 3.961 -1.431 1.00 0.58 H new ATOM 0 HB2 LEU B 21 -5.274 4.100 0.907 1.00 0.64 H new ATOM 0 HB3 LEU B 21 -5.917 2.472 0.998 1.00 0.64 H new ATOM 0 HG LEU B 21 -3.752 1.500 0.615 1.00 0.60 H new ATOM 0 HD11 LEU B 21 -1.730 2.871 0.291 1.00 0.70 H new ATOM 0 HD12 LEU B 21 -2.895 3.091 -1.036 1.00 0.70 H new ATOM 0 HD13 LEU B 21 -2.738 4.336 0.226 1.00 0.70 H new ATOM 0 HD21 LEU B 21 -2.517 2.377 2.568 1.00 0.61 H new ATOM 0 HD22 LEU B 21 -3.561 3.818 2.572 1.00 0.61 H new ATOM 0 HD23 LEU B 21 -4.256 2.215 2.909 1.00 0.61 H new ATOM 1186 N ALA B 22 -5.885 0.787 -1.412 1.00 0.55 N ATOM 1187 CA ALA B 22 -5.678 -0.498 -2.066 1.00 0.63 C ATOM 1188 C ALA B 22 -5.855 -0.359 -3.567 1.00 0.51 C ATOM 1189 O ALA B 22 -5.142 -0.992 -4.337 1.00 0.44 O ATOM 1190 CB ALA B 22 -6.640 -1.536 -1.525 1.00 0.83 C ATOM 0 H ALA B 22 -6.658 0.803 -0.747 1.00 0.55 H new ATOM 0 HA ALA B 22 -4.660 -0.827 -1.858 1.00 0.63 H new ATOM 0 HB1 ALA B 22 -6.468 -2.488 -2.027 1.00 0.83 H new ATOM 0 HB2 ALA B 22 -6.480 -1.657 -0.454 1.00 0.83 H new ATOM 0 HB3 ALA B 22 -7.665 -1.211 -1.705 1.00 0.83 H new ATOM 1196 N TYR B 23 -6.809 0.486 -3.957 1.00 0.62 N ATOM 1197 CA TYR B 23 -7.090 0.779 -5.361 1.00 0.75 C ATOM 1198 C TYR B 23 -5.808 0.941 -6.169 1.00 0.66 C ATOM 1199 O TYR B 23 -5.564 0.210 -7.127 1.00 0.66 O ATOM 1200 CB TYR B 23 -7.932 2.064 -5.460 1.00 1.10 C ATOM 1201 CG TYR B 23 -7.903 2.748 -6.813 1.00 1.02 C ATOM 1202 CD1 TYR B 23 -8.818 2.426 -7.801 1.00 1.46 C ATOM 1203 CD2 TYR B 23 -6.948 3.718 -7.099 1.00 1.86 C ATOM 1204 CE1 TYR B 23 -8.783 3.047 -9.033 1.00 1.83 C ATOM 1205 CE2 TYR B 23 -6.901 4.338 -8.328 1.00 2.48 C ATOM 1206 CZ TYR B 23 -7.822 4.001 -9.291 1.00 2.22 C ATOM 1207 OH TYR B 23 -7.764 4.606 -10.526 1.00 2.99 O ATOM 0 H TYR B 23 -7.411 0.988 -3.305 1.00 0.62 H new ATOM 0 HA TYR B 23 -7.643 -0.063 -5.777 1.00 0.75 H new ATOM 0 HB2 TYR B 23 -8.966 1.822 -5.214 1.00 1.10 H new ATOM 0 HB3 TYR B 23 -7.581 2.769 -4.706 1.00 1.10 H new ATOM 0 HD1 TYR B 23 -9.571 1.677 -7.604 1.00 1.46 H new ATOM 0 HD2 TYR B 23 -6.228 3.991 -6.341 1.00 1.86 H new ATOM 0 HE1 TYR B 23 -9.506 2.787 -9.792 1.00 1.83 H new ATOM 0 HE2 TYR B 23 -6.147 5.083 -8.533 1.00 2.48 H new ATOM 0 HH TYR B 23 -7.029 5.254 -10.539 1.00 2.99 H new ATOM 1217 N ALA B 24 -4.980 1.890 -5.764 1.00 0.72 N ATOM 1218 CA ALA B 24 -3.800 2.234 -6.535 1.00 0.87 C ATOM 1219 C ALA B 24 -2.700 1.210 -6.363 1.00 0.75 C ATOM 1220 O ALA B 24 -1.852 1.055 -7.239 1.00 0.84 O ATOM 1221 CB ALA B 24 -3.305 3.602 -6.149 1.00 1.14 C ATOM 0 H ALA B 24 -5.103 2.433 -4.909 1.00 0.72 H new ATOM 0 HA ALA B 24 -4.083 2.240 -7.587 1.00 0.87 H new ATOM 0 HB1 ALA B 24 -2.419 3.847 -6.735 1.00 1.14 H new ATOM 0 HB2 ALA B 24 -4.084 4.339 -6.343 1.00 1.14 H new ATOM 0 HB3 ALA B 24 -3.052 3.612 -5.089 1.00 1.14 H new ATOM 1227 N ILE B 25 -2.701 0.523 -5.235 1.00 0.63 N ATOM 1228 CA ILE B 25 -1.753 -0.552 -5.019 1.00 0.71 C ATOM 1229 C ILE B 25 -2.055 -1.686 -5.993 1.00 0.61 C ATOM 1230 O ILE B 25 -1.155 -2.248 -6.608 1.00 0.66 O ATOM 1231 CB ILE B 25 -1.794 -1.059 -3.560 1.00 0.80 C ATOM 1232 CG1 ILE B 25 -1.434 0.086 -2.605 1.00 0.97 C ATOM 1233 CG2 ILE B 25 -0.843 -2.233 -3.372 1.00 0.91 C ATOM 1234 CD1 ILE B 25 -1.523 -0.279 -1.139 1.00 0.89 C ATOM 0 H ILE B 25 -3.343 0.689 -4.460 1.00 0.63 H new ATOM 0 HA ILE B 25 -0.747 -0.174 -5.198 1.00 0.71 H new ATOM 0 HB ILE B 25 -2.803 -1.405 -3.334 1.00 0.80 H new ATOM 0 HG12 ILE B 25 -0.420 0.422 -2.824 1.00 0.97 H new ATOM 0 HG13 ILE B 25 -2.098 0.929 -2.799 1.00 0.97 H new ATOM 0 HG21 ILE B 25 -0.887 -2.575 -2.338 1.00 0.91 H new ATOM 0 HG22 ILE B 25 -1.134 -3.047 -4.036 1.00 0.91 H new ATOM 0 HG23 ILE B 25 0.174 -1.919 -3.607 1.00 0.91 H new ATOM 0 HD11 ILE B 25 -1.253 0.585 -0.532 1.00 0.89 H new ATOM 0 HD12 ILE B 25 -2.542 -0.585 -0.901 1.00 0.89 H new ATOM 0 HD13 ILE B 25 -0.838 -1.100 -0.926 1.00 0.89 H new ATOM 1246 N ILE B 26 -3.336 -1.976 -6.158 1.00 0.53 N ATOM 1247 CA ILE B 26 -3.786 -2.958 -7.134 1.00 0.53 C ATOM 1248 C ILE B 26 -3.468 -2.483 -8.551 1.00 0.51 C ATOM 1249 O ILE B 26 -2.861 -3.208 -9.335 1.00 0.53 O ATOM 1250 CB ILE B 26 -5.306 -3.210 -6.998 1.00 0.58 C ATOM 1251 CG1 ILE B 26 -5.629 -3.737 -5.596 1.00 0.67 C ATOM 1252 CG2 ILE B 26 -5.789 -4.186 -8.064 1.00 0.62 C ATOM 1253 CD1 ILE B 26 -7.111 -3.773 -5.279 1.00 0.78 C ATOM 0 H ILE B 26 -4.089 -1.541 -5.624 1.00 0.53 H new ATOM 0 HA ILE B 26 -3.258 -3.892 -6.942 1.00 0.53 H new ATOM 0 HB ILE B 26 -5.829 -2.265 -7.145 1.00 0.58 H new ATOM 0 HG12 ILE B 26 -5.221 -4.743 -5.494 1.00 0.67 H new ATOM 0 HG13 ILE B 26 -5.125 -3.112 -4.859 1.00 0.67 H new ATOM 0 HG21 ILE B 26 -6.861 -4.349 -7.950 1.00 0.62 H new ATOM 0 HG22 ILE B 26 -5.588 -3.774 -9.053 1.00 0.62 H new ATOM 0 HG23 ILE B 26 -5.264 -5.135 -7.953 1.00 0.62 H new ATOM 0 HD11 ILE B 26 -7.258 -4.157 -4.270 1.00 0.78 H new ATOM 0 HD12 ILE B 26 -7.522 -2.766 -5.347 1.00 0.78 H new ATOM 0 HD13 ILE B 26 -7.620 -4.422 -5.992 1.00 0.78 H new ATOM 1265 N GLN B 27 -3.864 -1.248 -8.856 1.00 0.54 N ATOM 1266 CA GLN B 27 -3.638 -0.654 -10.175 1.00 0.62 C ATOM 1267 C GLN B 27 -2.157 -0.642 -10.550 1.00 0.55 C ATOM 1268 O GLN B 27 -1.762 -1.158 -11.599 1.00 0.57 O ATOM 1269 CB GLN B 27 -4.167 0.784 -10.205 1.00 0.79 C ATOM 1270 CG GLN B 27 -5.683 0.895 -10.169 1.00 0.89 C ATOM 1271 CD GLN B 27 -6.334 0.398 -11.442 1.00 1.10 C ATOM 1272 OE1 GLN B 27 -6.677 -0.877 -11.471 1.00 1.58 O flip ATOM 1273 NE2 GLN B 27 -6.533 1.159 -12.389 1.00 1.34 N flip ATOM 0 H GLN B 27 -4.348 -0.633 -8.201 1.00 0.54 H new ATOM 0 HA GLN B 27 -4.173 -1.269 -10.899 1.00 0.62 H new ATOM 0 HB2 GLN B 27 -3.754 1.328 -9.355 1.00 0.79 H new ATOM 0 HB3 GLN B 27 -3.800 1.275 -11.106 1.00 0.79 H new ATOM 0 HG2 GLN B 27 -6.065 0.324 -9.323 1.00 0.89 H new ATOM 0 HG3 GLN B 27 -5.964 1.935 -10.004 1.00 0.89 H new ATOM 0 HE21 GLN B 27 -6.252 2.137 -12.325 1.00 1.34 H new ATOM 0 HE22 GLN B 27 -6.979 0.811 -13.238 1.00 1.34 H new ATOM 1282 N PHE B 28 -1.341 -0.053 -9.689 1.00 0.52 N ATOM 1283 CA PHE B 28 0.062 0.169 -9.998 1.00 0.51 C ATOM 1284 C PHE B 28 0.844 -1.137 -9.998 1.00 0.43 C ATOM 1285 O PHE B 28 1.589 -1.410 -10.932 1.00 0.42 O ATOM 1286 CB PHE B 28 0.681 1.154 -9.007 1.00 0.60 C ATOM 1287 CG PHE B 28 2.055 1.616 -9.397 1.00 0.90 C ATOM 1288 CD1 PHE B 28 2.219 2.598 -10.359 1.00 1.60 C ATOM 1289 CD2 PHE B 28 3.181 1.073 -8.801 1.00 1.62 C ATOM 1290 CE1 PHE B 28 3.480 3.030 -10.721 1.00 1.98 C ATOM 1291 CE2 PHE B 28 4.444 1.499 -9.159 1.00 1.96 C ATOM 1292 CZ PHE B 28 4.594 2.479 -10.120 1.00 1.83 C ATOM 0 H PHE B 28 -1.628 0.280 -8.769 1.00 0.52 H new ATOM 0 HA PHE B 28 0.116 0.595 -11.000 1.00 0.51 H new ATOM 0 HB2 PHE B 28 0.028 2.022 -8.914 1.00 0.60 H new ATOM 0 HB3 PHE B 28 0.730 0.685 -8.024 1.00 0.60 H new ATOM 0 HD1 PHE B 28 1.350 3.032 -10.832 1.00 1.60 H new ATOM 0 HD2 PHE B 28 3.069 0.307 -8.047 1.00 1.62 H new ATOM 0 HE1 PHE B 28 3.594 3.797 -11.473 1.00 1.98 H new ATOM 0 HE2 PHE B 28 5.314 1.066 -8.688 1.00 1.96 H new ATOM 0 HZ PHE B 28 5.581 2.814 -10.401 1.00 1.83 H new ATOM 1302 N LEU B 29 0.665 -1.949 -8.960 1.00 0.45 N ATOM 1303 CA LEU B 29 1.396 -3.207 -8.852 1.00 0.45 C ATOM 1304 C LEU B 29 1.001 -4.165 -9.969 1.00 0.45 C ATOM 1305 O LEU B 29 1.789 -5.020 -10.355 1.00 0.48 O ATOM 1306 CB LEU B 29 1.186 -3.866 -7.484 1.00 0.53 C ATOM 1307 CG LEU B 29 2.118 -3.390 -6.361 1.00 0.59 C ATOM 1308 CD1 LEU B 29 1.974 -1.894 -6.115 1.00 0.57 C ATOM 1309 CD2 LEU B 29 1.837 -4.163 -5.082 1.00 0.70 C ATOM 0 H LEU B 29 0.026 -1.761 -8.188 1.00 0.45 H new ATOM 0 HA LEU B 29 2.456 -2.975 -8.953 1.00 0.45 H new ATOM 0 HB2 LEU B 29 0.156 -3.693 -7.173 1.00 0.53 H new ATOM 0 HB3 LEU B 29 1.307 -4.943 -7.599 1.00 0.53 H new ATOM 0 HG LEU B 29 3.144 -3.580 -6.675 1.00 0.59 H new ATOM 0 HD11 LEU B 29 2.648 -1.590 -5.314 1.00 0.57 H new ATOM 0 HD12 LEU B 29 2.224 -1.350 -7.026 1.00 0.57 H new ATOM 0 HD13 LEU B 29 0.946 -1.670 -5.829 1.00 0.57 H new ATOM 0 HD21 LEU B 29 2.504 -3.816 -4.293 1.00 0.70 H new ATOM 0 HD22 LEU B 29 0.802 -4.001 -4.779 1.00 0.70 H new ATOM 0 HD23 LEU B 29 2.002 -5.226 -5.256 1.00 0.70 H new ATOM 1321 N HIS B 30 -0.214 -4.010 -10.487 1.00 0.47 N ATOM 1322 CA HIS B 30 -0.673 -4.791 -11.636 1.00 0.53 C ATOM 1323 C HIS B 30 0.253 -4.577 -12.832 1.00 0.48 C ATOM 1324 O HIS B 30 0.779 -5.527 -13.412 1.00 0.49 O ATOM 1325 CB HIS B 30 -2.106 -4.384 -12.005 1.00 0.67 C ATOM 1326 CG HIS B 30 -2.600 -4.956 -13.299 1.00 0.94 C ATOM 1327 ND1 HIS B 30 -2.551 -4.266 -14.493 1.00 1.11 N ATOM 1328 CD2 HIS B 30 -3.160 -6.156 -13.582 1.00 1.18 C ATOM 1329 CE1 HIS B 30 -3.060 -5.015 -15.451 1.00 1.38 C ATOM 1330 NE2 HIS B 30 -3.435 -6.167 -14.926 1.00 1.41 N ATOM 0 H HIS B 30 -0.903 -3.348 -10.129 1.00 0.47 H new ATOM 0 HA HIS B 30 -0.657 -5.847 -11.368 1.00 0.53 H new ATOM 0 HB2 HIS B 30 -2.777 -4.696 -11.205 1.00 0.67 H new ATOM 0 HB3 HIS B 30 -2.159 -3.297 -12.059 1.00 0.67 H new ATOM 0 HD1 HIS B 30 -2.179 -3.324 -14.615 1.00 1.11 H new ATOM 0 HD2 HIS B 30 -3.354 -6.955 -12.881 1.00 1.18 H new ATOM 0 HE1 HIS B 30 -3.154 -4.734 -16.490 1.00 1.38 H new ATOM 1339 N ASP B 31 0.449 -3.321 -13.191 1.00 0.48 N ATOM 1340 CA ASP B 31 1.277 -2.985 -14.339 1.00 0.52 C ATOM 1341 C ASP B 31 2.753 -3.108 -13.998 1.00 0.45 C ATOM 1342 O ASP B 31 3.549 -3.556 -14.819 1.00 0.50 O ATOM 1343 CB ASP B 31 0.950 -1.581 -14.840 1.00 0.63 C ATOM 1344 CG ASP B 31 -0.368 -1.538 -15.585 1.00 1.24 C ATOM 1345 OD1 ASP B 31 -1.412 -1.867 -14.983 1.00 1.98 O ATOM 1346 OD2 ASP B 31 -0.364 -1.203 -16.789 1.00 1.79 O ATOM 0 H ASP B 31 0.048 -2.518 -12.707 1.00 0.48 H new ATOM 0 HA ASP B 31 1.058 -3.694 -15.138 1.00 0.52 H new ATOM 0 HB2 ASP B 31 0.911 -0.894 -13.995 1.00 0.63 H new ATOM 0 HB3 ASP B 31 1.749 -1.235 -15.496 1.00 0.63 H new ATOM 1351 N GLN B 32 3.108 -2.730 -12.778 1.00 0.42 N ATOM 1352 CA GLN B 32 4.477 -2.875 -12.282 1.00 0.44 C ATOM 1353 C GLN B 32 4.901 -4.338 -12.358 1.00 0.38 C ATOM 1354 O GLN B 32 6.065 -4.655 -12.613 1.00 0.43 O ATOM 1355 CB GLN B 32 4.553 -2.382 -10.838 1.00 0.52 C ATOM 1356 CG GLN B 32 5.966 -2.190 -10.310 1.00 0.57 C ATOM 1357 CD GLN B 32 5.976 -1.693 -8.875 1.00 1.17 C ATOM 1358 OE1 GLN B 32 6.859 -0.936 -8.473 1.00 1.93 O ATOM 1359 NE2 GLN B 32 5.003 -2.126 -8.089 1.00 1.31 N ATOM 0 H GLN B 32 2.463 -2.316 -12.105 1.00 0.42 H new ATOM 0 HA GLN B 32 5.150 -2.279 -12.898 1.00 0.44 H new ATOM 0 HB2 GLN B 32 4.019 -1.435 -10.762 1.00 0.52 H new ATOM 0 HB3 GLN B 32 4.033 -3.094 -10.197 1.00 0.52 H new ATOM 0 HG2 GLN B 32 6.507 -3.135 -10.370 1.00 0.57 H new ATOM 0 HG3 GLN B 32 6.496 -1.479 -10.943 1.00 0.57 H new ATOM 0 HE21 GLN B 32 4.289 -2.753 -8.460 1.00 1.31 H new ATOM 0 HE22 GLN B 32 4.967 -1.833 -7.113 1.00 1.31 H new ATOM 1368 N LEU B 33 3.928 -5.216 -12.139 1.00 0.37 N ATOM 1369 CA LEU B 33 4.118 -6.654 -12.243 1.00 0.42 C ATOM 1370 C LEU B 33 4.584 -7.018 -13.646 1.00 0.46 C ATOM 1371 O LEU B 33 5.624 -7.648 -13.828 1.00 0.53 O ATOM 1372 CB LEU B 33 2.787 -7.357 -11.941 1.00 0.53 C ATOM 1373 CG LEU B 33 2.864 -8.645 -11.121 1.00 0.80 C ATOM 1374 CD1 LEU B 33 3.503 -9.768 -11.922 1.00 1.22 C ATOM 1375 CD2 LEU B 33 3.625 -8.396 -9.831 1.00 0.83 C ATOM 0 H LEU B 33 2.979 -4.945 -11.882 1.00 0.37 H new ATOM 0 HA LEU B 33 4.876 -6.974 -11.527 1.00 0.42 H new ATOM 0 HB2 LEU B 33 2.143 -6.654 -11.412 1.00 0.53 H new ATOM 0 HB3 LEU B 33 2.299 -7.585 -12.889 1.00 0.53 H new ATOM 0 HG LEU B 33 1.850 -8.957 -10.872 1.00 0.80 H new ATOM 0 HD11 LEU B 33 3.544 -10.671 -11.313 1.00 1.22 H new ATOM 0 HD12 LEU B 33 2.910 -9.960 -12.816 1.00 1.22 H new ATOM 0 HD13 LEU B 33 4.513 -9.479 -12.212 1.00 1.22 H new ATOM 0 HD21 LEU B 33 3.675 -9.319 -9.254 1.00 0.83 H new ATOM 0 HD22 LEU B 33 4.635 -8.059 -10.064 1.00 0.83 H new ATOM 0 HD23 LEU B 33 3.112 -7.631 -9.248 1.00 0.83 H new ATOM 1387 N ARG B 34 3.820 -6.575 -14.635 1.00 0.47 N ATOM 1388 CA ARG B 34 4.082 -6.926 -16.023 1.00 0.59 C ATOM 1389 C ARG B 34 5.213 -6.086 -16.611 1.00 0.58 C ATOM 1390 O ARG B 34 5.703 -6.375 -17.699 1.00 0.69 O ATOM 1391 CB ARG B 34 2.808 -6.767 -16.856 1.00 0.70 C ATOM 1392 CG ARG B 34 1.623 -7.543 -16.294 1.00 1.41 C ATOM 1393 CD ARG B 34 1.945 -9.021 -16.136 1.00 1.46 C ATOM 1394 NE ARG B 34 0.887 -9.737 -15.427 1.00 2.18 N ATOM 1395 CZ ARG B 34 1.024 -10.960 -14.915 1.00 2.53 C ATOM 1396 NH1 ARG B 34 2.168 -11.617 -15.045 1.00 2.19 N ATOM 1397 NH2 ARG B 34 0.012 -11.523 -14.273 1.00 3.50 N ATOM 0 H ARG B 34 3.010 -5.969 -14.500 1.00 0.47 H new ATOM 0 HA ARG B 34 4.398 -7.969 -16.051 1.00 0.59 H new ATOM 0 HB2 ARG B 34 2.548 -5.710 -16.912 1.00 0.70 H new ATOM 0 HB3 ARG B 34 3.003 -7.102 -17.875 1.00 0.70 H new ATOM 0 HG2 ARG B 34 1.340 -7.126 -15.327 1.00 1.41 H new ATOM 0 HG3 ARG B 34 0.764 -7.426 -16.955 1.00 1.41 H new ATOM 0 HD2 ARG B 34 2.090 -9.468 -17.120 1.00 1.46 H new ATOM 0 HD3 ARG B 34 2.884 -9.132 -15.594 1.00 1.46 H new ATOM 0 HE ARG B 34 -0.014 -9.271 -15.317 1.00 2.18 H new ATOM 0 HH11 ARG B 34 2.950 -11.187 -15.539 1.00 2.19 H new ATOM 0 HH12 ARG B 34 2.266 -12.553 -14.651 1.00 2.19 H new ATOM 0 HH21 ARG B 34 -0.870 -11.021 -14.171 1.00 3.50 H new ATOM 0 HH22 ARG B 34 0.114 -12.459 -13.880 1.00 3.50 H new ATOM 1411 N HIS B 35 5.620 -5.043 -15.900 1.00 0.53 N ATOM 1412 CA HIS B 35 6.765 -4.240 -16.322 1.00 0.59 C ATOM 1413 C HIS B 35 8.056 -4.799 -15.744 1.00 0.58 C ATOM 1414 O HIS B 35 9.153 -4.433 -16.170 1.00 0.74 O ATOM 1415 CB HIS B 35 6.619 -2.770 -15.906 1.00 0.59 C ATOM 1416 CG HIS B 35 5.599 -1.998 -16.689 1.00 1.17 C ATOM 1417 ND1 HIS B 35 5.487 -2.066 -18.062 1.00 1.99 N ATOM 1418 CD2 HIS B 35 4.645 -1.127 -16.281 1.00 1.62 C ATOM 1419 CE1 HIS B 35 4.510 -1.273 -18.461 1.00 2.69 C ATOM 1420 NE2 HIS B 35 3.984 -0.692 -17.401 1.00 2.43 N ATOM 0 H HIS B 35 5.179 -4.733 -15.034 1.00 0.53 H new ATOM 0 HA HIS B 35 6.800 -4.287 -17.410 1.00 0.59 H new ATOM 0 HB2 HIS B 35 6.354 -2.730 -14.850 1.00 0.59 H new ATOM 0 HB3 HIS B 35 7.586 -2.279 -16.011 1.00 0.59 H new ATOM 0 HD2 HIS B 35 4.443 -0.830 -15.262 1.00 1.62 H new ATOM 0 HE1 HIS B 35 4.195 -1.125 -19.483 1.00 2.69 H new ATOM 0 HE2 HIS B 35 3.211 -0.027 -17.412 1.00 2.43 H new ATOM 1429 N GLY B 36 7.915 -5.693 -14.771 1.00 0.49 N ATOM 1430 CA GLY B 36 9.071 -6.268 -14.112 1.00 0.51 C ATOM 1431 C GLY B 36 9.793 -5.254 -13.252 1.00 0.47 C ATOM 1432 O GLY B 36 11.021 -5.222 -13.220 1.00 0.53 O ATOM 0 H GLY B 36 7.016 -6.030 -14.427 1.00 0.49 H new ATOM 0 HA2 GLY B 36 8.756 -7.109 -13.494 1.00 0.51 H new ATOM 0 HA3 GLY B 36 9.757 -6.663 -14.861 1.00 0.51 H new ATOM 1436 N GLY B 37 9.021 -4.423 -12.557 1.00 0.41 N ATOM 1437 CA GLY B 37 9.593 -3.360 -11.749 1.00 0.40 C ATOM 1438 C GLY B 37 10.521 -3.873 -10.667 1.00 0.39 C ATOM 1439 O GLY B 37 11.613 -3.336 -10.471 1.00 0.53 O ATOM 0 H GLY B 37 8.002 -4.468 -12.539 1.00 0.41 H new ATOM 0 HA2 GLY B 37 10.141 -2.675 -12.395 1.00 0.40 H new ATOM 0 HA3 GLY B 37 8.788 -2.788 -11.288 1.00 0.40 H new ATOM 1443 N LEU B 38 10.093 -4.911 -9.963 1.00 0.36 N ATOM 1444 CA LEU B 38 10.903 -5.497 -8.903 1.00 0.41 C ATOM 1445 C LEU B 38 11.501 -6.826 -9.360 1.00 0.49 C ATOM 1446 O LEU B 38 11.310 -7.232 -10.507 1.00 0.83 O ATOM 1447 CB LEU B 38 10.083 -5.693 -7.618 1.00 0.44 C ATOM 1448 CG LEU B 38 9.631 -4.409 -6.898 1.00 0.44 C ATOM 1449 CD1 LEU B 38 10.794 -3.448 -6.715 1.00 0.51 C ATOM 1450 CD2 LEU B 38 8.495 -3.729 -7.641 1.00 0.47 C ATOM 0 H LEU B 38 9.191 -5.365 -10.106 1.00 0.36 H new ATOM 0 HA LEU B 38 11.715 -4.804 -8.681 1.00 0.41 H new ATOM 0 HB2 LEU B 38 9.197 -6.279 -7.863 1.00 0.44 H new ATOM 0 HB3 LEU B 38 10.675 -6.287 -6.921 1.00 0.44 H new ATOM 0 HG LEU B 38 9.265 -4.699 -5.913 1.00 0.44 H new ATOM 0 HD11 LEU B 38 10.447 -2.550 -6.204 1.00 0.51 H new ATOM 0 HD12 LEU B 38 11.571 -3.927 -6.120 1.00 0.51 H new ATOM 0 HD13 LEU B 38 11.199 -3.177 -7.690 1.00 0.51 H new ATOM 0 HD21 LEU B 38 8.200 -2.826 -7.107 1.00 0.47 H new ATOM 0 HD22 LEU B 38 8.824 -3.465 -8.646 1.00 0.47 H new ATOM 0 HD23 LEU B 38 7.644 -4.408 -7.705 1.00 0.47 H new ATOM 1462 N SER B 39 12.222 -7.496 -8.465 1.00 0.47 N ATOM 1463 CA SER B 39 12.873 -8.764 -8.786 1.00 0.54 C ATOM 1464 C SER B 39 11.843 -9.894 -8.925 1.00 0.48 C ATOM 1465 O SER B 39 10.640 -9.664 -8.809 1.00 0.45 O ATOM 1466 CB SER B 39 13.909 -9.107 -7.706 1.00 0.67 C ATOM 1467 OG SER B 39 14.696 -10.228 -8.074 1.00 1.42 O ATOM 0 H SER B 39 12.371 -7.180 -7.507 1.00 0.47 H new ATOM 0 HA SER B 39 13.381 -8.659 -9.744 1.00 0.54 H new ATOM 0 HB2 SER B 39 14.557 -8.247 -7.536 1.00 0.67 H new ATOM 0 HB3 SER B 39 13.399 -9.313 -6.765 1.00 0.67 H new ATOM 0 HG SER B 39 15.346 -10.418 -7.366 1.00 1.42 H new ATOM 1473 N SER B 40 12.330 -11.109 -9.153 1.00 0.59 N ATOM 1474 CA SER B 40 11.477 -12.264 -9.426 1.00 0.61 C ATOM 1475 C SER B 40 10.507 -12.539 -8.275 1.00 0.53 C ATOM 1476 O SER B 40 9.289 -12.460 -8.446 1.00 0.49 O ATOM 1477 CB SER B 40 12.350 -13.495 -9.696 1.00 0.77 C ATOM 1478 OG SER B 40 11.565 -14.653 -9.933 1.00 1.63 O ATOM 0 H SER B 40 13.327 -11.323 -9.154 1.00 0.59 H new ATOM 0 HA SER B 40 10.877 -12.041 -10.308 1.00 0.61 H new ATOM 0 HB2 SER B 40 12.989 -13.306 -10.558 1.00 0.77 H new ATOM 0 HB3 SER B 40 13.007 -13.669 -8.844 1.00 0.77 H new ATOM 0 HG SER B 40 12.153 -15.418 -10.103 1.00 1.63 H new ATOM 1484 N ASP B 41 11.048 -12.850 -7.102 1.00 0.57 N ATOM 1485 CA ASP B 41 10.222 -13.192 -5.948 1.00 0.58 C ATOM 1486 C ASP B 41 9.423 -11.984 -5.482 1.00 0.53 C ATOM 1487 O ASP B 41 8.265 -12.104 -5.081 1.00 0.55 O ATOM 1488 CB ASP B 41 11.089 -13.721 -4.804 1.00 0.71 C ATOM 1489 CG ASP B 41 10.268 -14.098 -3.587 1.00 1.26 C ATOM 1490 OD1 ASP B 41 9.500 -15.080 -3.667 1.00 2.21 O ATOM 1491 OD2 ASP B 41 10.390 -13.420 -2.545 1.00 1.69 O ATOM 0 H ASP B 41 12.052 -12.873 -6.925 1.00 0.57 H new ATOM 0 HA ASP B 41 9.526 -13.974 -6.250 1.00 0.58 H new ATOM 0 HB2 ASP B 41 11.647 -14.592 -5.147 1.00 0.71 H new ATOM 0 HB3 ASP B 41 11.821 -12.963 -4.525 1.00 0.71 H new ATOM 1496 N ALA B 42 10.049 -10.818 -5.551 1.00 0.51 N ATOM 1497 CA ALA B 42 9.391 -9.570 -5.192 1.00 0.50 C ATOM 1498 C ALA B 42 8.172 -9.328 -6.078 1.00 0.47 C ATOM 1499 O ALA B 42 7.130 -8.874 -5.609 1.00 0.52 O ATOM 1500 CB ALA B 42 10.371 -8.417 -5.311 1.00 0.54 C ATOM 0 H ALA B 42 11.017 -10.710 -5.854 1.00 0.51 H new ATOM 0 HA ALA B 42 9.050 -9.639 -4.159 1.00 0.50 H new ATOM 0 HB1 ALA B 42 9.872 -7.486 -5.041 1.00 0.54 H new ATOM 0 HB2 ALA B 42 11.214 -8.585 -4.640 1.00 0.54 H new ATOM 0 HB3 ALA B 42 10.732 -8.351 -6.337 1.00 0.54 H new ATOM 1506 N GLN B 43 8.320 -9.646 -7.357 1.00 0.44 N ATOM 1507 CA GLN B 43 7.237 -9.535 -8.324 1.00 0.45 C ATOM 1508 C GLN B 43 6.064 -10.414 -7.901 1.00 0.45 C ATOM 1509 O GLN B 43 4.943 -9.937 -7.757 1.00 0.48 O ATOM 1510 CB GLN B 43 7.747 -9.950 -9.704 1.00 0.49 C ATOM 1511 CG GLN B 43 6.783 -9.661 -10.836 1.00 0.82 C ATOM 1512 CD GLN B 43 7.342 -10.046 -12.191 1.00 0.85 C ATOM 1513 OE1 GLN B 43 6.599 -10.413 -13.098 1.00 1.57 O ATOM 1514 NE2 GLN B 43 8.656 -9.961 -12.342 1.00 1.12 N ATOM 0 H GLN B 43 9.195 -9.988 -7.753 1.00 0.44 H new ATOM 0 HA GLN B 43 6.892 -8.502 -8.367 1.00 0.45 H new ATOM 0 HB2 GLN B 43 8.687 -9.434 -9.902 1.00 0.49 H new ATOM 0 HB3 GLN B 43 7.966 -11.018 -9.692 1.00 0.49 H new ATOM 0 HG2 GLN B 43 5.853 -10.203 -10.664 1.00 0.82 H new ATOM 0 HG3 GLN B 43 6.538 -8.599 -10.837 1.00 0.82 H new ATOM 0 HE21 GLN B 43 9.240 -9.652 -11.565 1.00 1.12 H new ATOM 0 HE22 GLN B 43 9.083 -10.205 -13.235 1.00 1.12 H new ATOM 1523 N GLU B 44 6.337 -11.690 -7.666 1.00 0.49 N ATOM 1524 CA GLU B 44 5.298 -12.623 -7.244 1.00 0.54 C ATOM 1525 C GLU B 44 4.632 -12.150 -5.953 1.00 0.51 C ATOM 1526 O GLU B 44 3.432 -12.350 -5.751 1.00 0.50 O ATOM 1527 CB GLU B 44 5.882 -14.021 -7.054 1.00 0.68 C ATOM 1528 CG GLU B 44 6.464 -14.611 -8.328 1.00 1.20 C ATOM 1529 CD GLU B 44 6.962 -16.026 -8.136 1.00 1.65 C ATOM 1530 OE1 GLU B 44 6.135 -16.960 -8.190 1.00 2.36 O ATOM 1531 OE2 GLU B 44 8.175 -16.213 -7.923 1.00 2.20 O ATOM 0 H GLU B 44 7.265 -12.103 -7.760 1.00 0.49 H new ATOM 0 HA GLU B 44 4.540 -12.662 -8.026 1.00 0.54 H new ATOM 0 HB2 GLU B 44 6.661 -13.981 -6.292 1.00 0.68 H new ATOM 0 HB3 GLU B 44 5.103 -14.684 -6.678 1.00 0.68 H new ATOM 0 HG2 GLU B 44 5.705 -14.599 -9.110 1.00 1.20 H new ATOM 0 HG3 GLU B 44 7.286 -13.984 -8.673 1.00 1.20 H new ATOM 1538 N SER B 45 5.416 -11.499 -5.101 1.00 0.54 N ATOM 1539 CA SER B 45 4.920 -10.977 -3.835 1.00 0.59 C ATOM 1540 C SER B 45 3.898 -9.859 -4.054 1.00 0.55 C ATOM 1541 O SER B 45 2.947 -9.726 -3.282 1.00 0.58 O ATOM 1542 CB SER B 45 6.084 -10.467 -2.982 1.00 0.71 C ATOM 1543 OG SER B 45 7.048 -11.487 -2.771 1.00 1.04 O ATOM 0 H SER B 45 6.406 -11.320 -5.267 1.00 0.54 H new ATOM 0 HA SER B 45 4.420 -11.791 -3.310 1.00 0.59 H new ATOM 0 HB2 SER B 45 6.553 -9.615 -3.474 1.00 0.71 H new ATOM 0 HB3 SER B 45 5.708 -10.114 -2.022 1.00 0.71 H new ATOM 0 HG SER B 45 7.614 -11.572 -3.567 1.00 1.04 H new ATOM 1549 N LEU B 46 4.087 -9.062 -5.110 1.00 0.56 N ATOM 1550 CA LEU B 46 3.157 -7.977 -5.415 1.00 0.60 C ATOM 1551 C LEU B 46 1.776 -8.544 -5.677 1.00 0.50 C ATOM 1552 O LEU B 46 0.787 -8.095 -5.106 1.00 0.48 O ATOM 1553 CB LEU B 46 3.581 -7.187 -6.658 1.00 0.74 C ATOM 1554 CG LEU B 46 5.034 -6.727 -6.716 1.00 0.75 C ATOM 1555 CD1 LEU B 46 5.264 -5.869 -7.950 1.00 1.28 C ATOM 1556 CD2 LEU B 46 5.413 -5.964 -5.455 1.00 1.14 C ATOM 0 H LEU B 46 4.868 -9.148 -5.760 1.00 0.56 H new ATOM 0 HA LEU B 46 3.155 -7.309 -4.554 1.00 0.60 H new ATOM 0 HB2 LEU B 46 3.384 -7.803 -7.536 1.00 0.74 H new ATOM 0 HB3 LEU B 46 2.942 -6.307 -6.736 1.00 0.74 H new ATOM 0 HG LEU B 46 5.672 -7.609 -6.780 1.00 0.75 H new ATOM 0 HD11 LEU B 46 6.305 -5.547 -7.980 1.00 1.28 H new ATOM 0 HD12 LEU B 46 5.038 -6.450 -8.844 1.00 1.28 H new ATOM 0 HD13 LEU B 46 4.614 -4.995 -7.911 1.00 1.28 H new ATOM 0 HD21 LEU B 46 6.454 -5.647 -5.521 1.00 1.14 H new ATOM 0 HD22 LEU B 46 4.772 -5.088 -5.353 1.00 1.14 H new ATOM 0 HD23 LEU B 46 5.285 -6.610 -4.586 1.00 1.14 H new ATOM 1568 N GLU B 47 1.734 -9.552 -6.540 1.00 0.49 N ATOM 1569 CA GLU B 47 0.483 -10.153 -6.976 1.00 0.48 C ATOM 1570 C GLU B 47 -0.303 -10.716 -5.795 1.00 0.43 C ATOM 1571 O GLU B 47 -1.519 -10.533 -5.704 1.00 0.45 O ATOM 1572 CB GLU B 47 0.771 -11.249 -8.000 1.00 0.55 C ATOM 1573 CG GLU B 47 -0.475 -11.883 -8.587 1.00 0.81 C ATOM 1574 CD GLU B 47 -0.151 -12.888 -9.667 1.00 1.06 C ATOM 1575 OE1 GLU B 47 0.306 -14.002 -9.329 1.00 1.52 O ATOM 1576 OE2 GLU B 47 -0.350 -12.572 -10.857 1.00 1.75 O ATOM 0 H GLU B 47 2.565 -9.974 -6.955 1.00 0.49 H new ATOM 0 HA GLU B 47 -0.130 -9.380 -7.439 1.00 0.48 H new ATOM 0 HB2 GLU B 47 1.369 -10.829 -8.809 1.00 0.55 H new ATOM 0 HB3 GLU B 47 1.374 -12.025 -7.528 1.00 0.55 H new ATOM 0 HG2 GLU B 47 -1.039 -12.374 -7.794 1.00 0.81 H new ATOM 0 HG3 GLU B 47 -1.117 -11.104 -8.999 1.00 0.81 H new ATOM 1583 N VAL B 48 0.395 -11.381 -4.883 1.00 0.41 N ATOM 1584 CA VAL B 48 -0.244 -11.927 -3.693 1.00 0.42 C ATOM 1585 C VAL B 48 -0.789 -10.794 -2.827 1.00 0.41 C ATOM 1586 O VAL B 48 -1.921 -10.856 -2.345 1.00 0.43 O ATOM 1587 CB VAL B 48 0.728 -12.790 -2.860 1.00 0.45 C ATOM 1588 CG1 VAL B 48 0.011 -13.424 -1.678 1.00 0.49 C ATOM 1589 CG2 VAL B 48 1.372 -13.862 -3.722 1.00 0.48 C ATOM 0 H VAL B 48 1.398 -11.555 -4.944 1.00 0.41 H new ATOM 0 HA VAL B 48 -1.061 -12.568 -4.026 1.00 0.42 H new ATOM 0 HB VAL B 48 1.512 -12.137 -2.478 1.00 0.45 H new ATOM 0 HG11 VAL B 48 0.716 -14.027 -1.106 1.00 0.49 H new ATOM 0 HG12 VAL B 48 -0.399 -12.642 -1.039 1.00 0.49 H new ATOM 0 HG13 VAL B 48 -0.798 -14.058 -2.041 1.00 0.49 H new ATOM 0 HG21 VAL B 48 2.053 -14.458 -3.114 1.00 0.48 H new ATOM 0 HG22 VAL B 48 0.599 -14.507 -4.138 1.00 0.48 H new ATOM 0 HG23 VAL B 48 1.928 -13.391 -4.533 1.00 0.48 H new ATOM 1599 N ALA B 49 0.017 -9.748 -2.658 1.00 0.41 N ATOM 1600 CA ALA B 49 -0.387 -8.582 -1.880 1.00 0.43 C ATOM 1601 C ALA B 49 -1.603 -7.907 -2.505 1.00 0.43 C ATOM 1602 O ALA B 49 -2.508 -7.467 -1.797 1.00 0.48 O ATOM 1603 CB ALA B 49 0.764 -7.595 -1.762 1.00 0.44 C ATOM 0 H ALA B 49 0.956 -9.685 -3.051 1.00 0.41 H new ATOM 0 HA ALA B 49 -0.660 -8.920 -0.880 1.00 0.43 H new ATOM 0 HB1 ALA B 49 0.444 -6.732 -1.179 1.00 0.44 H new ATOM 0 HB2 ALA B 49 1.607 -8.076 -1.266 1.00 0.44 H new ATOM 0 HB3 ALA B 49 1.067 -7.269 -2.757 1.00 0.44 H new ATOM 1609 N ILE B 50 -1.612 -7.839 -3.834 1.00 0.40 N ATOM 1610 CA ILE B 50 -2.739 -7.285 -4.577 1.00 0.41 C ATOM 1611 C ILE B 50 -4.041 -7.970 -4.171 1.00 0.38 C ATOM 1612 O ILE B 50 -4.990 -7.314 -3.746 1.00 0.41 O ATOM 1613 CB ILE B 50 -2.540 -7.438 -6.105 1.00 0.43 C ATOM 1614 CG1 ILE B 50 -1.398 -6.543 -6.596 1.00 0.53 C ATOM 1615 CG2 ILE B 50 -3.827 -7.114 -6.855 1.00 0.47 C ATOM 1616 CD1 ILE B 50 -1.111 -6.681 -8.079 1.00 0.62 C ATOM 0 H ILE B 50 -0.844 -8.164 -4.422 1.00 0.40 H new ATOM 0 HA ILE B 50 -2.794 -6.224 -4.335 1.00 0.41 H new ATOM 0 HB ILE B 50 -2.277 -8.476 -6.307 1.00 0.43 H new ATOM 0 HG12 ILE B 50 -1.643 -5.504 -6.377 1.00 0.53 H new ATOM 0 HG13 ILE B 50 -0.494 -6.782 -6.036 1.00 0.53 H new ATOM 0 HG21 ILE B 50 -3.662 -7.228 -7.926 1.00 0.47 H new ATOM 0 HG22 ILE B 50 -4.616 -7.794 -6.534 1.00 0.47 H new ATOM 0 HG23 ILE B 50 -4.124 -6.087 -6.641 1.00 0.47 H new ATOM 0 HD11 ILE B 50 -0.291 -6.018 -8.354 1.00 0.62 H new ATOM 0 HD12 ILE B 50 -0.834 -7.712 -8.302 1.00 0.62 H new ATOM 0 HD13 ILE B 50 -2.001 -6.413 -8.648 1.00 0.62 H new ATOM 1628 N GLN B 51 -4.064 -9.295 -4.279 1.00 0.39 N ATOM 1629 CA GLN B 51 -5.260 -10.070 -3.968 1.00 0.43 C ATOM 1630 C GLN B 51 -5.638 -9.942 -2.494 1.00 0.43 C ATOM 1631 O GLN B 51 -6.819 -9.885 -2.145 1.00 0.47 O ATOM 1632 CB GLN B 51 -5.046 -11.538 -4.336 1.00 0.51 C ATOM 1633 CG GLN B 51 -4.856 -11.766 -5.827 1.00 0.78 C ATOM 1634 CD GLN B 51 -6.062 -11.334 -6.641 1.00 1.02 C ATOM 1635 OE1 GLN B 51 -6.064 -10.086 -7.079 1.00 1.84 O flip ATOM 1636 NE2 GLN B 51 -6.980 -12.119 -6.879 1.00 1.35 N flip ATOM 0 H GLN B 51 -3.266 -9.855 -4.580 1.00 0.39 H new ATOM 0 HA GLN B 51 -6.084 -9.671 -4.559 1.00 0.43 H new ATOM 0 HB2 GLN B 51 -4.172 -11.914 -3.804 1.00 0.51 H new ATOM 0 HB3 GLN B 51 -5.902 -12.119 -3.993 1.00 0.51 H new ATOM 0 HG2 GLN B 51 -3.978 -11.217 -6.166 1.00 0.78 H new ATOM 0 HG3 GLN B 51 -4.660 -12.823 -6.007 1.00 0.78 H new ATOM 0 HE21 GLN B 51 -6.940 -13.074 -6.522 1.00 1.35 H new ATOM 0 HE22 GLN B 51 -7.781 -11.815 -7.433 1.00 1.35 H new ATOM 1645 N CYS B 52 -4.629 -9.883 -1.636 1.00 0.45 N ATOM 1646 CA CYS B 52 -4.856 -9.739 -0.205 1.00 0.52 C ATOM 1647 C CYS B 52 -5.505 -8.396 0.112 1.00 0.53 C ATOM 1648 O CYS B 52 -6.518 -8.341 0.799 1.00 0.59 O ATOM 1649 CB CYS B 52 -3.542 -9.882 0.560 1.00 0.59 C ATOM 1650 SG CYS B 52 -2.750 -11.492 0.359 1.00 0.69 S ATOM 0 H CYS B 52 -3.647 -9.933 -1.906 1.00 0.45 H new ATOM 0 HA CYS B 52 -5.536 -10.531 0.110 1.00 0.52 H new ATOM 0 HB2 CYS B 52 -2.853 -9.105 0.228 1.00 0.59 H new ATOM 0 HB3 CYS B 52 -3.729 -9.710 1.620 1.00 0.59 H new ATOM 0 HG CYS B 52 -2.360 -11.633 -0.873 1.00 0.69 H new ATOM 1656 N LEU B 53 -4.930 -7.318 -0.408 1.00 0.49 N ATOM 1657 CA LEU B 53 -5.444 -5.976 -0.146 1.00 0.53 C ATOM 1658 C LEU B 53 -6.782 -5.754 -0.837 1.00 0.50 C ATOM 1659 O LEU B 53 -7.657 -5.069 -0.305 1.00 0.57 O ATOM 1660 CB LEU B 53 -4.432 -4.920 -0.589 1.00 0.63 C ATOM 1661 CG LEU B 53 -3.137 -4.890 0.228 1.00 0.54 C ATOM 1662 CD1 LEU B 53 -2.177 -3.856 -0.331 1.00 0.76 C ATOM 1663 CD2 LEU B 53 -3.430 -4.605 1.697 1.00 0.61 C ATOM 0 H LEU B 53 -4.109 -7.345 -1.013 1.00 0.49 H new ATOM 0 HA LEU B 53 -5.601 -5.881 0.928 1.00 0.53 H new ATOM 0 HB2 LEU B 53 -4.181 -5.094 -1.635 1.00 0.63 H new ATOM 0 HB3 LEU B 53 -4.903 -3.939 -0.533 1.00 0.63 H new ATOM 0 HG LEU B 53 -2.668 -5.872 0.157 1.00 0.54 H new ATOM 0 HD11 LEU B 53 -1.263 -3.850 0.263 1.00 0.76 H new ATOM 0 HD12 LEU B 53 -1.936 -4.104 -1.365 1.00 0.76 H new ATOM 0 HD13 LEU B 53 -2.641 -2.870 -0.293 1.00 0.76 H new ATOM 0 HD21 LEU B 53 -2.496 -4.588 2.258 1.00 0.61 H new ATOM 0 HD22 LEU B 53 -3.925 -3.638 1.788 1.00 0.61 H new ATOM 0 HD23 LEU B 53 -4.079 -5.384 2.096 1.00 0.61 H new ATOM 1675 N GLU B 54 -6.937 -6.345 -2.016 1.00 0.46 N ATOM 1676 CA GLU B 54 -8.196 -6.291 -2.746 1.00 0.50 C ATOM 1677 C GLU B 54 -9.324 -6.837 -1.873 1.00 0.56 C ATOM 1678 O GLU B 54 -10.371 -6.205 -1.710 1.00 0.65 O ATOM 1679 CB GLU B 54 -8.081 -7.110 -4.035 1.00 0.55 C ATOM 1680 CG GLU B 54 -9.296 -7.014 -4.938 1.00 0.73 C ATOM 1681 CD GLU B 54 -9.191 -7.910 -6.151 1.00 1.06 C ATOM 1682 OE1 GLU B 54 -9.541 -9.104 -6.039 1.00 1.62 O ATOM 1683 OE2 GLU B 54 -8.773 -7.426 -7.223 1.00 1.66 O ATOM 0 H GLU B 54 -6.201 -6.870 -2.488 1.00 0.46 H new ATOM 0 HA GLU B 54 -8.420 -5.256 -3.004 1.00 0.50 H new ATOM 0 HB2 GLU B 54 -7.203 -6.776 -4.588 1.00 0.55 H new ATOM 0 HB3 GLU B 54 -7.916 -8.156 -3.775 1.00 0.55 H new ATOM 0 HG2 GLU B 54 -10.188 -7.280 -4.370 1.00 0.73 H new ATOM 0 HG3 GLU B 54 -9.422 -5.981 -5.263 1.00 0.73 H new ATOM 1690 N THR B 55 -9.079 -7.999 -1.288 1.00 0.61 N ATOM 1691 CA THR B 55 -10.046 -8.640 -0.414 1.00 0.77 C ATOM 1692 C THR B 55 -10.128 -7.914 0.933 1.00 0.83 C ATOM 1693 O THR B 55 -11.194 -7.840 1.546 1.00 0.98 O ATOM 1694 CB THR B 55 -9.666 -10.114 -0.183 1.00 0.95 C ATOM 1695 OG1 THR B 55 -9.376 -10.742 -1.440 1.00 0.99 O ATOM 1696 CG2 THR B 55 -10.791 -10.864 0.510 1.00 1.15 C ATOM 0 H THR B 55 -8.210 -8.520 -1.405 1.00 0.61 H new ATOM 0 HA THR B 55 -11.021 -8.592 -0.899 1.00 0.77 H new ATOM 0 HB THR B 55 -8.784 -10.143 0.457 1.00 0.95 H new ATOM 0 HG1 THR B 55 -8.483 -10.474 -1.741 1.00 0.99 H new ATOM 0 HG21 THR B 55 -10.497 -11.903 0.661 1.00 1.15 H new ATOM 0 HG22 THR B 55 -10.997 -10.401 1.475 1.00 1.15 H new ATOM 0 HG23 THR B 55 -11.688 -10.827 -0.108 1.00 1.15 H new ATOM 1704 N ALA B 56 -8.995 -7.367 1.368 1.00 0.76 N ATOM 1705 CA ALA B 56 -8.896 -6.672 2.649 1.00 0.87 C ATOM 1706 C ALA B 56 -9.924 -5.556 2.767 1.00 0.88 C ATOM 1707 O ALA B 56 -10.708 -5.519 3.713 1.00 1.14 O ATOM 1708 CB ALA B 56 -7.497 -6.104 2.834 1.00 0.89 C ATOM 0 H ALA B 56 -8.121 -7.393 0.843 1.00 0.76 H new ATOM 0 HA ALA B 56 -9.100 -7.402 3.433 1.00 0.87 H new ATOM 0 HB1 ALA B 56 -7.437 -5.589 3.793 1.00 0.89 H new ATOM 0 HB2 ALA B 56 -6.769 -6.915 2.812 1.00 0.89 H new ATOM 0 HB3 ALA B 56 -7.281 -5.401 2.030 1.00 0.89 H new ATOM 1714 N PHE B 57 -9.928 -4.652 1.802 1.00 0.76 N ATOM 1715 CA PHE B 57 -10.817 -3.509 1.844 1.00 1.05 C ATOM 1716 C PHE B 57 -12.145 -3.808 1.156 1.00 1.57 C ATOM 1717 O PHE B 57 -13.023 -2.949 1.071 1.00 2.06 O ATOM 1718 CB PHE B 57 -10.144 -2.312 1.189 1.00 1.04 C ATOM 1719 CG PHE B 57 -8.852 -1.905 1.844 1.00 0.92 C ATOM 1720 CD1 PHE B 57 -8.838 -0.993 2.886 1.00 1.49 C ATOM 1721 CD2 PHE B 57 -7.649 -2.427 1.403 1.00 1.47 C ATOM 1722 CE1 PHE B 57 -7.646 -0.611 3.474 1.00 1.50 C ATOM 1723 CE2 PHE B 57 -6.456 -2.046 1.982 1.00 1.47 C ATOM 1724 CZ PHE B 57 -6.454 -1.138 3.017 1.00 0.92 C ATOM 0 H PHE B 57 -9.324 -4.690 0.981 1.00 0.76 H new ATOM 0 HA PHE B 57 -11.030 -3.282 2.889 1.00 1.05 H new ATOM 0 HB2 PHE B 57 -9.952 -2.544 0.142 1.00 1.04 H new ATOM 0 HB3 PHE B 57 -10.831 -1.466 1.207 1.00 1.04 H new ATOM 0 HD1 PHE B 57 -9.768 -0.576 3.243 1.00 1.49 H new ATOM 0 HD2 PHE B 57 -7.644 -3.143 0.594 1.00 1.47 H new ATOM 0 HE1 PHE B 57 -7.647 0.098 4.289 1.00 1.50 H new ATOM 0 HE2 PHE B 57 -5.525 -2.460 1.624 1.00 1.47 H new ATOM 0 HZ PHE B 57 -5.521 -0.838 3.471 1.00 0.92 H new ATOM 1734 N GLY B 58 -12.279 -5.036 0.667 1.00 1.71 N ATOM 1735 CA GLY B 58 -13.512 -5.467 0.036 1.00 2.29 C ATOM 1736 C GLY B 58 -13.803 -4.723 -1.251 1.00 2.05 C ATOM 1737 O GLY B 58 -14.933 -4.291 -1.483 1.00 2.60 O ATOM 0 H GLY B 58 -11.548 -5.746 0.697 1.00 1.71 H new ATOM 0 HA2 GLY B 58 -13.454 -6.535 -0.172 1.00 2.29 H new ATOM 0 HA3 GLY B 58 -14.340 -5.322 0.730 1.00 2.29 H new ATOM 1741 N VAL B 59 -12.787 -4.570 -2.085 1.00 1.35 N ATOM 1742 CA VAL B 59 -12.935 -3.859 -3.348 1.00 1.13 C ATOM 1743 C VAL B 59 -12.452 -4.710 -4.507 1.00 1.04 C ATOM 1744 O VAL B 59 -12.007 -5.841 -4.317 1.00 1.22 O ATOM 1745 CB VAL B 59 -12.151 -2.527 -3.359 1.00 0.93 C ATOM 1746 CG1 VAL B 59 -12.841 -1.492 -2.493 1.00 1.23 C ATOM 1747 CG2 VAL B 59 -10.713 -2.731 -2.898 1.00 1.00 C ATOM 0 H VAL B 59 -11.848 -4.929 -1.911 1.00 1.35 H new ATOM 0 HA VAL B 59 -13.998 -3.644 -3.458 1.00 1.13 H new ATOM 0 HB VAL B 59 -12.129 -2.162 -4.386 1.00 0.93 H new ATOM 0 HG11 VAL B 59 -12.273 -0.562 -2.515 1.00 1.23 H new ATOM 0 HG12 VAL B 59 -13.847 -1.312 -2.873 1.00 1.23 H new ATOM 0 HG13 VAL B 59 -12.901 -1.857 -1.468 1.00 1.23 H new ATOM 0 HG21 VAL B 59 -10.186 -1.777 -2.916 1.00 1.00 H new ATOM 0 HG22 VAL B 59 -10.709 -3.128 -1.883 1.00 1.00 H new ATOM 0 HG23 VAL B 59 -10.213 -3.434 -3.565 1.00 1.00 H new ATOM 1757 N THR B 60 -12.579 -4.170 -5.707 1.00 1.17 N ATOM 1758 CA THR B 60 -12.004 -4.775 -6.886 1.00 1.30 C ATOM 1759 C THR B 60 -10.993 -3.813 -7.502 1.00 1.16 C ATOM 1760 O THR B 60 -10.694 -2.782 -6.897 1.00 1.14 O ATOM 1761 CB THR B 60 -13.091 -5.163 -7.905 1.00 1.94 C ATOM 1762 OG1 THR B 60 -14.102 -4.151 -7.953 1.00 2.24 O ATOM 1763 CG2 THR B 60 -13.725 -6.497 -7.541 1.00 2.38 C ATOM 0 H THR B 60 -13.083 -3.302 -5.886 1.00 1.17 H new ATOM 0 HA THR B 60 -11.495 -5.695 -6.598 1.00 1.30 H new ATOM 0 HB THR B 60 -12.620 -5.256 -8.884 1.00 1.94 H new ATOM 0 HG1 THR B 60 -14.812 -4.427 -8.569 1.00 2.24 H new ATOM 0 HG21 THR B 60 -14.490 -6.749 -8.276 1.00 2.38 H new ATOM 0 HG22 THR B 60 -12.960 -7.273 -7.533 1.00 2.38 H new ATOM 0 HG23 THR B 60 -14.180 -6.426 -6.553 1.00 2.38 H new ATOM 1771 N VAL B 61 -10.496 -4.141 -8.698 1.00 1.40 N ATOM 1772 CA VAL B 61 -9.372 -3.448 -9.319 1.00 1.59 C ATOM 1773 C VAL B 61 -9.394 -1.942 -9.130 1.00 1.83 C ATOM 1774 O VAL B 61 -8.530 -1.351 -8.486 1.00 2.11 O ATOM 1775 CB VAL B 61 -9.498 -3.627 -10.844 1.00 1.80 C ATOM 1776 CG1 VAL B 61 -8.166 -3.765 -11.495 1.00 2.21 C ATOM 1777 CG2 VAL B 61 -10.423 -4.768 -11.207 1.00 1.95 C ATOM 0 H VAL B 61 -10.869 -4.903 -9.265 1.00 1.40 H new ATOM 0 HA VAL B 61 -8.473 -3.864 -8.863 1.00 1.59 H new ATOM 0 HB VAL B 61 -9.953 -2.716 -11.234 1.00 1.80 H new ATOM 0 HG11 VAL B 61 -8.297 -3.889 -12.570 1.00 2.21 H new ATOM 0 HG12 VAL B 61 -7.573 -2.871 -11.303 1.00 2.21 H new ATOM 0 HG13 VAL B 61 -7.651 -4.636 -11.089 1.00 2.21 H new ATOM 0 HG21 VAL B 61 -10.482 -4.858 -12.292 1.00 1.95 H new ATOM 0 HG22 VAL B 61 -10.037 -5.697 -10.787 1.00 1.95 H new ATOM 0 HG23 VAL B 61 -11.417 -4.573 -10.805 1.00 1.95 H new ATOM 1787 N GLU B 62 -10.412 -1.349 -9.688 1.00 1.89 N ATOM 1788 CA GLU B 62 -10.580 0.070 -9.680 1.00 2.15 C ATOM 1789 C GLU B 62 -12.032 0.383 -9.637 1.00 1.63 C ATOM 1790 O GLU B 62 -12.442 1.545 -9.771 1.00 1.65 O ATOM 1791 CB GLU B 62 -9.966 0.613 -10.959 1.00 2.86 C ATOM 1792 CG GLU B 62 -10.624 0.085 -12.224 1.00 3.13 C ATOM 1793 CD GLU B 62 -10.030 0.672 -13.487 1.00 3.56 C ATOM 1794 OE1 GLU B 62 -10.408 1.802 -13.860 1.00 4.00 O ATOM 1795 OE2 GLU B 62 -9.184 0.005 -14.119 1.00 3.97 O ATOM 0 H GLU B 62 -11.159 -1.850 -10.168 1.00 1.89 H new ATOM 0 HA GLU B 62 -10.097 0.520 -8.813 1.00 2.15 H new ATOM 0 HB2 GLU B 62 -10.034 1.701 -10.951 1.00 2.86 H new ATOM 0 HB3 GLU B 62 -8.906 0.360 -10.979 1.00 2.86 H new ATOM 0 HG2 GLU B 62 -10.526 -1.000 -12.253 1.00 3.13 H new ATOM 0 HG3 GLU B 62 -11.691 0.308 -12.193 1.00 3.13 H new ATOM 1802 N ASP B 63 -12.799 -0.608 -9.247 1.00 1.36 N ATOM 1803 CA ASP B 63 -13.782 -1.123 -10.164 1.00 1.61 C ATOM 1804 C ASP B 63 -14.245 -0.035 -11.108 1.00 1.59 C ATOM 1805 O ASP B 63 -13.750 -0.007 -12.235 1.00 1.93 O ATOM 1806 CB ASP B 63 -14.975 -1.614 -9.318 1.00 1.89 C ATOM 1807 CG ASP B 63 -16.142 -2.131 -10.133 1.00 2.88 C ATOM 1808 OD1 ASP B 63 -17.027 -1.326 -10.494 1.00 3.35 O ATOM 1809 OD2 ASP B 63 -16.187 -3.345 -10.399 1.00 3.62 O ATOM 0 H ASP B 63 -12.764 -1.060 -8.333 1.00 1.36 H new ATOM 0 HA ASP B 63 -13.360 -1.931 -10.762 1.00 1.61 H new ATOM 0 HB2 ASP B 63 -14.632 -2.406 -8.652 1.00 1.89 H new ATOM 0 HB3 ASP B 63 -15.321 -0.795 -8.688 1.00 1.89 H new ATOM 1814 N SER B 64 -15.155 0.831 -10.791 1.00 1.56 N ATOM 1815 CA SER B 64 -15.130 2.188 -11.297 1.00 1.82 C ATOM 1816 C SER B 64 -14.982 3.249 -10.223 1.00 1.73 C ATOM 1817 O SER B 64 -14.278 4.240 -10.360 1.00 1.91 O ATOM 1818 CB SER B 64 -16.234 2.392 -12.301 1.00 2.42 C ATOM 1819 OG SER B 64 -16.215 3.695 -12.851 1.00 2.92 O ATOM 0 H SER B 64 -15.942 0.628 -10.174 1.00 1.56 H new ATOM 0 HA SER B 64 -14.203 2.333 -11.852 1.00 1.82 H new ATOM 0 HB2 SER B 64 -16.136 1.659 -13.102 1.00 2.42 H new ATOM 0 HB3 SER B 64 -17.197 2.214 -11.822 1.00 2.42 H new ATOM 0 HG SER B 64 -16.945 3.787 -13.498 1.00 2.92 H new ATOM 1825 N ASP B 65 -15.787 3.036 -9.177 1.00 1.68 N ATOM 1826 CA ASP B 65 -16.174 4.083 -8.230 1.00 2.03 C ATOM 1827 C ASP B 65 -14.991 4.601 -7.445 1.00 1.91 C ATOM 1828 O ASP B 65 -15.055 5.663 -6.826 1.00 2.28 O ATOM 1829 CB ASP B 65 -17.255 3.552 -7.276 1.00 2.26 C ATOM 1830 CG ASP B 65 -17.747 4.597 -6.294 1.00 2.89 C ATOM 1831 OD1 ASP B 65 -18.240 5.655 -6.739 1.00 3.35 O ATOM 1832 OD2 ASP B 65 -17.662 4.360 -5.071 1.00 3.46 O ATOM 0 H ASP B 65 -16.191 2.124 -8.963 1.00 1.68 H new ATOM 0 HA ASP B 65 -16.574 4.919 -8.804 1.00 2.03 H new ATOM 0 HB2 ASP B 65 -18.099 3.186 -7.861 1.00 2.26 H new ATOM 0 HB3 ASP B 65 -16.857 2.701 -6.723 1.00 2.26 H new ATOM 1837 N LEU B 66 -13.896 3.873 -7.488 1.00 1.52 N ATOM 1838 CA LEU B 66 -12.731 4.280 -6.750 1.00 1.62 C ATOM 1839 C LEU B 66 -11.626 4.702 -7.699 1.00 1.45 C ATOM 1840 O LEU B 66 -10.487 4.905 -7.285 1.00 1.72 O ATOM 1841 CB LEU B 66 -12.265 3.178 -5.791 1.00 1.77 C ATOM 1842 CG LEU B 66 -12.344 1.736 -6.300 1.00 1.59 C ATOM 1843 CD1 LEU B 66 -11.401 0.873 -5.491 1.00 1.87 C ATOM 1844 CD2 LEU B 66 -13.759 1.180 -6.191 1.00 1.57 C ATOM 0 H LEU B 66 -13.793 3.009 -8.020 1.00 1.52 H new ATOM 0 HA LEU B 66 -12.996 5.142 -6.138 1.00 1.62 H new ATOM 0 HB2 LEU B 66 -11.231 3.384 -5.515 1.00 1.77 H new ATOM 0 HB3 LEU B 66 -12.858 3.249 -4.879 1.00 1.77 H new ATOM 0 HG LEU B 66 -12.060 1.729 -7.352 1.00 1.59 H new ATOM 0 HD11 LEU B 66 -11.452 -0.156 -5.848 1.00 1.87 H new ATOM 0 HD12 LEU B 66 -10.382 1.245 -5.601 1.00 1.87 H new ATOM 0 HD13 LEU B 66 -11.688 0.907 -4.440 1.00 1.87 H new ATOM 0 HD21 LEU B 66 -13.777 0.155 -6.561 1.00 1.57 H new ATOM 0 HD22 LEU B 66 -14.076 1.195 -5.148 1.00 1.57 H new ATOM 0 HD23 LEU B 66 -14.437 1.792 -6.785 1.00 1.57 H new ATOM 1856 N ALA B 67 -11.985 4.855 -8.972 1.00 1.30 N ATOM 1857 CA ALA B 67 -11.048 5.298 -9.987 1.00 1.26 C ATOM 1858 C ALA B 67 -10.508 6.688 -9.650 1.00 1.28 C ATOM 1859 O ALA B 67 -11.283 7.603 -9.369 1.00 1.54 O ATOM 1860 CB ALA B 67 -11.702 5.310 -11.352 1.00 1.48 C ATOM 0 H ALA B 67 -12.927 4.676 -9.321 1.00 1.30 H new ATOM 0 HA ALA B 67 -10.215 4.595 -10.008 1.00 1.26 H new ATOM 0 HB1 ALA B 67 -10.981 5.645 -12.098 1.00 1.48 H new ATOM 0 HB2 ALA B 67 -12.041 4.305 -11.602 1.00 1.48 H new ATOM 0 HB3 ALA B 67 -12.555 5.989 -11.341 1.00 1.48 H new ATOM 1866 N LEU B 68 -9.192 6.843 -9.666 1.00 1.16 N ATOM 1867 CA LEU B 68 -8.571 8.131 -9.376 1.00 1.29 C ATOM 1868 C LEU B 68 -7.722 8.590 -10.557 1.00 1.56 C ATOM 1869 O LEU B 68 -7.089 7.758 -11.212 1.00 1.55 O ATOM 1870 CB LEU B 68 -7.704 8.063 -8.110 1.00 1.25 C ATOM 1871 CG LEU B 68 -8.455 7.819 -6.796 1.00 1.19 C ATOM 1872 CD1 LEU B 68 -7.486 7.846 -5.622 1.00 1.21 C ATOM 1873 CD2 LEU B 68 -9.551 8.855 -6.599 1.00 1.18 C ATOM 0 H LEU B 68 -8.532 6.094 -9.876 1.00 1.16 H new ATOM 0 HA LEU B 68 -9.371 8.851 -9.205 1.00 1.29 H new ATOM 0 HB2 LEU B 68 -6.969 7.268 -8.239 1.00 1.25 H new ATOM 0 HB3 LEU B 68 -7.151 8.998 -8.021 1.00 1.25 H new ATOM 0 HG LEU B 68 -8.920 6.835 -6.846 1.00 1.19 H new ATOM 0 HD11 LEU B 68 -8.032 7.671 -4.695 1.00 1.21 H new ATOM 0 HD12 LEU B 68 -6.735 7.067 -5.752 1.00 1.21 H new ATOM 0 HD13 LEU B 68 -6.996 8.819 -5.577 1.00 1.21 H new ATOM 0 HD21 LEU B 68 -10.070 8.662 -5.660 1.00 1.18 H new ATOM 0 HD22 LEU B 68 -9.109 9.851 -6.571 1.00 1.18 H new ATOM 0 HD23 LEU B 68 -10.260 8.796 -7.425 1.00 1.18 H new ATOM 1885 N PRO B 69 -7.722 9.898 -10.865 1.00 1.93 N ATOM 1886 CA PRO B 69 -7.014 10.446 -12.034 1.00 2.36 C ATOM 1887 C PRO B 69 -5.568 9.963 -12.163 1.00 2.25 C ATOM 1888 O PRO B 69 -5.175 9.445 -13.211 1.00 2.62 O ATOM 1889 CB PRO B 69 -7.041 11.951 -11.773 1.00 2.75 C ATOM 1890 CG PRO B 69 -8.273 12.173 -10.969 1.00 2.57 C ATOM 1891 CD PRO B 69 -8.439 10.946 -10.116 1.00 2.06 C ATOM 0 HA PRO B 69 -7.486 10.132 -12.965 1.00 2.36 H new ATOM 0 HB2 PRO B 69 -6.152 12.275 -11.232 1.00 2.75 H new ATOM 0 HB3 PRO B 69 -7.070 12.514 -12.706 1.00 2.75 H new ATOM 0 HG2 PRO B 69 -8.180 13.067 -10.352 1.00 2.57 H new ATOM 0 HG3 PRO B 69 -9.139 12.319 -11.615 1.00 2.57 H new ATOM 0 HD2 PRO B 69 -8.015 11.089 -9.122 1.00 2.06 H new ATOM 0 HD3 PRO B 69 -9.490 10.692 -9.980 1.00 2.06 H new ATOM 1899 N GLN B 70 -4.798 10.082 -11.087 1.00 1.85 N ATOM 1900 CA GLN B 70 -3.397 9.675 -11.113 1.00 1.82 C ATOM 1901 C GLN B 70 -3.183 8.510 -10.165 1.00 1.41 C ATOM 1902 O GLN B 70 -3.987 8.289 -9.255 1.00 1.29 O ATOM 1903 CB GLN B 70 -2.478 10.844 -10.725 1.00 1.93 C ATOM 1904 CG GLN B 70 -2.346 11.080 -9.223 1.00 1.65 C ATOM 1905 CD GLN B 70 -1.420 12.237 -8.907 1.00 2.18 C ATOM 1906 OE1 GLN B 70 -0.207 12.064 -8.804 1.00 2.66 O ATOM 1907 NE2 GLN B 70 -1.982 13.416 -8.708 1.00 2.76 N ATOM 0 H GLN B 70 -5.116 10.454 -10.192 1.00 1.85 H new ATOM 0 HA GLN B 70 -3.146 9.367 -12.128 1.00 1.82 H new ATOM 0 HB2 GLN B 70 -1.486 10.662 -11.139 1.00 1.93 H new ATOM 0 HB3 GLN B 70 -2.855 11.755 -11.190 1.00 1.93 H new ATOM 0 HG2 GLN B 70 -3.331 11.278 -8.800 1.00 1.65 H new ATOM 0 HG3 GLN B 70 -1.970 10.175 -8.746 1.00 1.65 H new ATOM 0 HE21 GLN B 70 -2.992 13.522 -8.802 1.00 2.76 H new ATOM 0 HE22 GLN B 70 -1.406 14.220 -8.460 1.00 2.76 H new ATOM 1916 N THR B 71 -2.110 7.760 -10.373 1.00 1.34 N ATOM 1917 CA THR B 71 -1.807 6.660 -9.484 1.00 1.13 C ATOM 1918 C THR B 71 -1.258 7.204 -8.171 1.00 0.85 C ATOM 1919 O THR B 71 -0.488 8.167 -8.150 1.00 0.83 O ATOM 1920 CB THR B 71 -0.787 5.690 -10.122 1.00 1.22 C ATOM 1921 OG1 THR B 71 0.396 6.397 -10.521 1.00 1.53 O ATOM 1922 CG2 THR B 71 -1.391 4.991 -11.330 1.00 1.55 C ATOM 0 H THR B 71 -1.448 7.893 -11.137 1.00 1.34 H new ATOM 0 HA THR B 71 -2.726 6.105 -9.296 1.00 1.13 H new ATOM 0 HB THR B 71 -0.523 4.941 -9.375 1.00 1.22 H new ATOM 0 HG1 THR B 71 1.033 5.769 -10.922 1.00 1.53 H new ATOM 0 HG21 THR B 71 -0.656 4.313 -11.763 1.00 1.55 H new ATOM 0 HG22 THR B 71 -2.269 4.424 -11.021 1.00 1.55 H new ATOM 0 HG23 THR B 71 -1.682 5.734 -12.073 1.00 1.55 H new ATOM 1930 N LEU B 72 -1.623 6.543 -7.087 1.00 0.80 N ATOM 1931 CA LEU B 72 -1.295 7.011 -5.749 1.00 0.66 C ATOM 1932 C LEU B 72 0.170 6.782 -5.379 1.00 0.66 C ATOM 1933 O LEU B 72 0.752 7.642 -4.740 1.00 0.67 O ATOM 1934 CB LEU B 72 -2.222 6.374 -4.722 1.00 0.78 C ATOM 1935 CG LEU B 72 -3.713 6.647 -4.939 1.00 0.97 C ATOM 1936 CD1 LEU B 72 -4.536 6.055 -3.806 1.00 1.47 C ATOM 1937 CD2 LEU B 72 -3.973 8.138 -5.081 1.00 1.79 C ATOM 0 H LEU B 72 -2.152 5.671 -7.107 1.00 0.80 H new ATOM 0 HA LEU B 72 -1.446 8.090 -5.745 1.00 0.66 H new ATOM 0 HB2 LEU B 72 -2.061 5.296 -4.728 1.00 0.78 H new ATOM 0 HB3 LEU B 72 -1.943 6.732 -3.731 1.00 0.78 H new ATOM 0 HG LEU B 72 -4.019 6.164 -5.867 1.00 0.97 H new ATOM 0 HD11 LEU B 72 -5.593 6.260 -3.978 1.00 1.47 H new ATOM 0 HD12 LEU B 72 -4.377 4.977 -3.765 1.00 1.47 H new ATOM 0 HD13 LEU B 72 -4.229 6.503 -2.861 1.00 1.47 H new ATOM 0 HD21 LEU B 72 -5.039 8.309 -5.234 1.00 1.79 H new ATOM 0 HD22 LEU B 72 -3.650 8.652 -4.175 1.00 1.79 H new ATOM 0 HD23 LEU B 72 -3.417 8.525 -5.935 1.00 1.79 H new ATOM 1949 N PRO B 73 0.799 5.632 -5.737 1.00 0.75 N ATOM 1950 CA PRO B 73 2.237 5.420 -5.496 1.00 0.84 C ATOM 1951 C PRO B 73 3.100 6.612 -5.922 1.00 0.80 C ATOM 1952 O PRO B 73 4.086 6.939 -5.262 1.00 0.82 O ATOM 1953 CB PRO B 73 2.552 4.195 -6.349 1.00 1.03 C ATOM 1954 CG PRO B 73 1.287 3.415 -6.332 1.00 1.06 C ATOM 1955 CD PRO B 73 0.177 4.432 -6.339 1.00 0.84 C ATOM 0 HA PRO B 73 2.455 5.294 -4.436 1.00 0.84 H new ATOM 0 HB2 PRO B 73 2.835 4.476 -7.363 1.00 1.03 H new ATOM 0 HB3 PRO B 73 3.381 3.621 -5.934 1.00 1.03 H new ATOM 0 HG2 PRO B 73 1.221 2.758 -7.200 1.00 1.06 H new ATOM 0 HG3 PRO B 73 1.231 2.781 -5.447 1.00 1.06 H new ATOM 0 HD2 PRO B 73 -0.179 4.630 -7.350 1.00 0.84 H new ATOM 0 HD3 PRO B 73 -0.681 4.092 -5.760 1.00 0.84 H new ATOM 1963 N GLU B 74 2.710 7.267 -7.009 1.00 0.78 N ATOM 1964 CA GLU B 74 3.418 8.449 -7.487 1.00 0.78 C ATOM 1965 C GLU B 74 3.253 9.591 -6.487 1.00 0.64 C ATOM 1966 O GLU B 74 4.217 10.278 -6.139 1.00 0.64 O ATOM 1967 CB GLU B 74 2.882 8.855 -8.859 1.00 0.86 C ATOM 1968 CG GLU B 74 3.732 9.892 -9.571 1.00 1.21 C ATOM 1969 CD GLU B 74 3.188 10.235 -10.939 1.00 1.47 C ATOM 1970 OE1 GLU B 74 3.035 9.313 -11.769 1.00 1.67 O ATOM 1971 OE2 GLU B 74 2.894 11.422 -11.191 1.00 2.27 O ATOM 0 H GLU B 74 1.906 6.999 -7.577 1.00 0.78 H new ATOM 0 HA GLU B 74 4.480 8.221 -7.582 1.00 0.78 H new ATOM 0 HB2 GLU B 74 2.809 7.967 -9.487 1.00 0.86 H new ATOM 0 HB3 GLU B 74 1.872 9.247 -8.742 1.00 0.86 H new ATOM 0 HG2 GLU B 74 3.782 10.796 -8.965 1.00 1.21 H new ATOM 0 HG3 GLU B 74 4.751 9.518 -9.670 1.00 1.21 H new ATOM 1978 N ILE B 75 2.021 9.770 -6.014 1.00 0.58 N ATOM 1979 CA ILE B 75 1.727 10.721 -4.945 1.00 0.53 C ATOM 1980 C ILE B 75 2.533 10.373 -3.705 1.00 0.49 C ATOM 1981 O ILE B 75 3.038 11.246 -3.004 1.00 0.53 O ATOM 1982 CB ILE B 75 0.228 10.699 -4.566 1.00 0.60 C ATOM 1983 CG1 ILE B 75 -0.633 11.143 -5.744 1.00 0.74 C ATOM 1984 CG2 ILE B 75 -0.043 11.571 -3.343 1.00 0.68 C ATOM 1985 CD1 ILE B 75 -2.114 11.124 -5.439 1.00 1.37 C ATOM 0 H ILE B 75 1.205 9.264 -6.358 1.00 0.58 H new ATOM 0 HA ILE B 75 1.991 11.713 -5.311 1.00 0.53 H new ATOM 0 HB ILE B 75 -0.038 9.673 -4.313 1.00 0.60 H new ATOM 0 HG12 ILE B 75 -0.342 12.151 -6.039 1.00 0.74 H new ATOM 0 HG13 ILE B 75 -0.436 10.492 -6.596 1.00 0.74 H new ATOM 0 HG21 ILE B 75 -1.105 11.536 -3.100 1.00 0.68 H new ATOM 0 HG22 ILE B 75 0.536 11.201 -2.497 1.00 0.68 H new ATOM 0 HG23 ILE B 75 0.247 12.600 -3.558 1.00 0.68 H new ATOM 0 HD11 ILE B 75 -2.671 11.450 -6.318 1.00 1.37 H new ATOM 0 HD12 ILE B 75 -2.418 10.112 -5.172 1.00 1.37 H new ATOM 0 HD13 ILE B 75 -2.323 11.796 -4.607 1.00 1.37 H new ATOM 1997 N PHE B 76 2.655 9.082 -3.451 1.00 0.50 N ATOM 1998 CA PHE B 76 3.313 8.595 -2.255 1.00 0.56 C ATOM 1999 C PHE B 76 4.800 8.923 -2.281 1.00 0.59 C ATOM 2000 O PHE B 76 5.392 9.237 -1.256 1.00 0.72 O ATOM 2001 CB PHE B 76 3.096 7.087 -2.093 1.00 0.65 C ATOM 2002 CG PHE B 76 1.647 6.678 -1.993 1.00 2.06 C ATOM 2003 CD1 PHE B 76 0.651 7.617 -1.763 1.00 2.12 C ATOM 2004 CD2 PHE B 76 1.282 5.350 -2.128 1.00 2.34 C ATOM 2005 CE1 PHE B 76 -0.672 7.236 -1.672 1.00 2.24 C ATOM 2006 CE2 PHE B 76 -0.041 4.963 -2.036 1.00 2.35 C ATOM 2007 CZ PHE B 76 -1.019 5.907 -1.806 1.00 2.37 C ATOM 0 H PHE B 76 2.303 8.347 -4.065 1.00 0.50 H new ATOM 0 HA PHE B 76 2.869 9.099 -1.397 1.00 0.56 H new ATOM 0 HB2 PHE B 76 3.549 6.573 -2.941 1.00 0.65 H new ATOM 0 HB3 PHE B 76 3.620 6.750 -1.198 1.00 0.65 H new ATOM 0 HD1 PHE B 76 0.915 8.659 -1.654 1.00 2.12 H new ATOM 0 HD2 PHE B 76 2.043 4.605 -2.308 1.00 2.34 H new ATOM 0 HE1 PHE B 76 -1.436 7.978 -1.496 1.00 2.24 H new ATOM 0 HE2 PHE B 76 -0.309 3.922 -2.144 1.00 2.35 H new ATOM 0 HZ PHE B 76 -2.054 5.607 -1.731 1.00 2.37 H new ATOM 2017 N GLU B 77 5.407 8.876 -3.452 1.00 0.62 N ATOM 2018 CA GLU B 77 6.813 9.223 -3.570 1.00 0.73 C ATOM 2019 C GLU B 77 7.003 10.737 -3.496 1.00 0.69 C ATOM 2020 O GLU B 77 8.109 11.221 -3.267 1.00 0.79 O ATOM 2021 CB GLU B 77 7.408 8.668 -4.861 1.00 0.89 C ATOM 2022 CG GLU B 77 7.357 7.153 -4.944 1.00 1.56 C ATOM 2023 CD GLU B 77 8.333 6.595 -5.954 1.00 1.93 C ATOM 2024 OE1 GLU B 77 9.497 6.352 -5.578 1.00 2.40 O ATOM 2025 OE2 GLU B 77 7.942 6.397 -7.127 1.00 2.51 O ATOM 0 H GLU B 77 4.956 8.605 -4.326 1.00 0.62 H new ATOM 0 HA GLU B 77 7.343 8.769 -2.733 1.00 0.73 H new ATOM 0 HB2 GLU B 77 6.871 9.090 -5.711 1.00 0.89 H new ATOM 0 HB3 GLU B 77 8.444 8.995 -4.945 1.00 0.89 H new ATOM 0 HG2 GLU B 77 7.574 6.731 -3.963 1.00 1.56 H new ATOM 0 HG3 GLU B 77 6.347 6.841 -5.209 1.00 1.56 H new ATOM 2032 N ALA B 78 5.917 11.475 -3.692 1.00 0.60 N ATOM 2033 CA ALA B 78 5.947 12.929 -3.600 1.00 0.61 C ATOM 2034 C ALA B 78 5.702 13.407 -2.167 1.00 0.60 C ATOM 2035 O ALA B 78 6.506 14.142 -1.600 1.00 0.64 O ATOM 2036 CB ALA B 78 4.918 13.534 -4.543 1.00 0.64 C ATOM 0 H ALA B 78 5.001 11.088 -3.917 1.00 0.60 H new ATOM 0 HA ALA B 78 6.942 13.263 -3.894 1.00 0.61 H new ATOM 0 HB1 ALA B 78 4.949 14.621 -4.466 1.00 0.64 H new ATOM 0 HB2 ALA B 78 5.143 13.236 -5.567 1.00 0.64 H new ATOM 0 HB3 ALA B 78 3.924 13.179 -4.272 1.00 0.64 H new ATOM 2042 N ALA B 79 4.585 12.980 -1.588 1.00 0.64 N ATOM 2043 CA ALA B 79 4.176 13.430 -0.261 1.00 0.75 C ATOM 2044 C ALA B 79 4.769 12.566 0.837 1.00 0.86 C ATOM 2045 O ALA B 79 5.403 13.062 1.766 1.00 0.99 O ATOM 2046 CB ALA B 79 2.663 13.400 -0.142 1.00 0.83 C ATOM 0 H ALA B 79 3.941 12.317 -2.021 1.00 0.64 H new ATOM 0 HA ALA B 79 4.546 14.448 -0.139 1.00 0.75 H new ATOM 0 HB1 ALA B 79 2.369 13.738 0.852 1.00 0.83 H new ATOM 0 HB2 ALA B 79 2.226 14.058 -0.893 1.00 0.83 H new ATOM 0 HB3 ALA B 79 2.306 12.382 -0.300 1.00 0.83 H new ATOM 2052 N ALA B 80 4.563 11.265 0.708 1.00 0.90 N ATOM 2053 CA ALA B 80 4.920 10.311 1.746 1.00 1.11 C ATOM 2054 C ALA B 80 6.433 10.208 1.926 1.00 1.26 C ATOM 2055 O ALA B 80 6.907 9.606 2.882 1.00 1.55 O ATOM 2056 CB ALA B 80 4.310 8.955 1.433 1.00 1.25 C ATOM 0 H ALA B 80 4.144 10.841 -0.119 1.00 0.90 H new ATOM 0 HA ALA B 80 4.514 10.670 2.692 1.00 1.11 H new ATOM 0 HB1 ALA B 80 4.581 8.245 2.214 1.00 1.25 H new ATOM 0 HB2 ALA B 80 3.225 9.046 1.386 1.00 1.25 H new ATOM 0 HB3 ALA B 80 4.686 8.600 0.474 1.00 1.25 H new ATOM 2062 N THR B 81 7.183 10.781 0.995 1.00 1.23 N ATOM 2063 CA THR B 81 8.635 10.791 1.085 1.00 1.46 C ATOM 2064 C THR B 81 9.105 11.732 2.202 1.00 1.63 C ATOM 2065 O THR B 81 10.250 11.662 2.653 1.00 1.88 O ATOM 2066 CB THR B 81 9.278 11.209 -0.257 1.00 1.59 C ATOM 2067 OG1 THR B 81 10.676 10.898 -0.258 1.00 2.33 O ATOM 2068 CG2 THR B 81 9.096 12.697 -0.514 1.00 1.64 C ATOM 0 H THR B 81 6.808 11.246 0.168 1.00 1.23 H new ATOM 0 HA THR B 81 8.954 9.775 1.319 1.00 1.46 H new ATOM 0 HB THR B 81 8.778 10.652 -1.050 1.00 1.59 H new ATOM 0 HG1 THR B 81 11.070 11.166 -1.114 1.00 2.33 H new ATOM 0 HG21 THR B 81 9.559 12.961 -1.465 1.00 1.64 H new ATOM 0 HG22 THR B 81 8.032 12.933 -0.550 1.00 1.64 H new ATOM 0 HG23 THR B 81 9.566 13.265 0.289 1.00 1.64 H new ATOM 2076 N GLY B 82 8.210 12.607 2.645 1.00 1.68 N ATOM 2077 CA GLY B 82 8.542 13.547 3.694 1.00 2.13 C ATOM 2078 C GLY B 82 7.395 14.482 3.994 1.00 1.99 C ATOM 2079 O GLY B 82 7.137 15.419 3.237 1.00 2.59 O ATOM 0 H GLY B 82 7.256 12.681 2.293 1.00 1.68 H new ATOM 0 HA2 GLY B 82 8.812 13.002 4.598 1.00 2.13 H new ATOM 0 HA3 GLY B 82 9.416 14.127 3.399 1.00 2.13 H new ATOM 2083 N LYS B 83 6.696 14.225 5.088 1.00 1.88 N ATOM 2084 CA LYS B 83 5.549 15.032 5.463 1.00 2.11 C ATOM 2085 C LYS B 83 5.368 15.012 6.975 1.00 2.84 C ATOM 2086 O LYS B 83 5.667 16.035 7.620 1.00 3.19 O ATOM 2087 CB LYS B 83 4.292 14.519 4.759 1.00 2.30 C ATOM 2088 CG LYS B 83 3.073 15.408 4.943 1.00 2.77 C ATOM 2089 CD LYS B 83 1.909 14.922 4.099 1.00 3.43 C ATOM 2090 CE LYS B 83 0.680 15.799 4.271 1.00 3.92 C ATOM 2091 NZ LYS B 83 0.914 17.196 3.818 1.00 4.40 N ATOM 2092 OXT LYS B 83 4.954 13.966 7.516 1.00 3.61 O ATOM 0 H LYS B 83 6.904 13.462 5.732 1.00 1.88 H new ATOM 0 HA LYS B 83 5.721 16.062 5.151 1.00 2.11 H new ATOM 0 HB2 LYS B 83 4.500 14.421 3.693 1.00 2.30 H new ATOM 0 HB3 LYS B 83 4.061 13.521 5.132 1.00 2.30 H new ATOM 0 HG2 LYS B 83 2.784 15.421 5.994 1.00 2.77 H new ATOM 0 HG3 LYS B 83 3.322 16.433 4.669 1.00 2.77 H new ATOM 0 HD2 LYS B 83 2.202 14.909 3.049 1.00 3.43 H new ATOM 0 HD3 LYS B 83 1.664 13.896 4.374 1.00 3.43 H new ATOM 0 HE2 LYS B 83 -0.150 15.371 3.708 1.00 3.92 H new ATOM 0 HE3 LYS B 83 0.385 15.805 5.320 1.00 3.92 H new ATOM 0 HZ1 LYS B 83 0.012 17.714 3.811 1.00 4.40 H new ATOM 0 HZ2 LYS B 83 1.578 17.665 4.467 1.00 4.40 H new ATOM 0 HZ3 LYS B 83 1.316 17.187 2.859 1.00 4.40 H new