USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=23 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: B 27 GLN : amide:sc= -0.37 K(o=-0.22,f=-0.98) USER MOD Set 1.2: B 64 SER OG : rot -23:sc= 0.153 USER MOD Set 2.1: A 27 GLN : amide:sc= -0.274 K(o=-0.11,f=-0.76) USER MOD Set 2.2: A 64 SER OG : rot -30:sc= 0.163 USER MOD Single : A 17 ASN : amide:sc= -4.52! C(o=-4.5!,f=-12!) USER MOD Single : A 18 LYS NZ :NH3+ 178:sc= 1.12 (180deg=1.07) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 118:sc= -1.45! USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -3.19! K(o=-3.2!,f=-0.13) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.927 K(o=-0.93,f=0.31) USER MOD Single : A 45 SER OG : rot 73:sc= 1.24 USER MOD Single : A 51 GLN : amide:sc= -0.0589 K(o=-0.059,f=-0.64) USER MOD Single : A 52 CYS SG : rot -91:sc= -0.71! USER MOD Single : A 55 THR OG1 : rot 80:sc= 1.06 USER MOD Single : A 60 THR OG1 : rot -21:sc= 0.73 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.034 USER MOD Single : A 81 THR OG1 : rot -35:sc= 0.0841 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 MET CE :methyl -163:sc= -0.0899 (180deg=-0.59) USER MOD Single : B 17 ASN : amide:sc= -4.32! C(o=-4.3!,f=-12!) USER MOD Single : B 18 LYS NZ :NH3+ -179:sc= 1.09 (180deg=1.05) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 TYR OH : rot 120:sc= -1.52! USER MOD Single : B 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 32 GLN : amide:sc= -3.19! K(o=-3.2!,f=-0.18) USER MOD Single : B 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 43 GLN : amide:sc= -1 K(o=-1,f=0.31) USER MOD Single : B 45 SER OG : rot 70:sc= 1.24 USER MOD Single : B 51 GLN : amide:sc= -0.039 K(o=-0.039,f=-0.7) USER MOD Single : B 52 CYS SG : rot -91:sc= -0.526! USER MOD Single : B 55 THR OG1 : rot 78:sc= 1.1 USER MOD Single : B 60 THR OG1 : rot -12:sc= 0.816 USER MOD Single : B 70 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : B 71 THR OG1 : rot 180:sc= 0.0578 USER MOD Single : B 81 THR OG1 : rot -31:sc= 0.275 USER MOD Single : B 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 16 13.788 6.082 -2.870 1.00 1.26 N ATOM 21 CA ASP A 16 12.918 4.954 -3.169 1.00 1.13 C ATOM 22 C ASP A 16 11.627 5.052 -2.378 1.00 0.92 C ATOM 23 O ASP A 16 11.585 4.737 -1.186 1.00 1.01 O ATOM 24 CB ASP A 16 13.605 3.622 -2.861 1.00 1.39 C ATOM 25 CG ASP A 16 14.795 3.353 -3.755 1.00 1.84 C ATOM 26 OD1 ASP A 16 14.598 2.834 -4.874 1.00 2.28 O ATOM 27 OD2 ASP A 16 15.933 3.658 -3.342 1.00 2.40 O ATOM 0 HA ASP A 16 12.693 4.990 -4.235 1.00 1.13 H new ATOM 0 HB2 ASP A 16 13.930 3.619 -1.821 1.00 1.39 H new ATOM 0 HB3 ASP A 16 12.883 2.813 -2.972 1.00 1.39 H new ATOM 32 N ASN A 17 10.576 5.494 -3.047 1.00 0.78 N ATOM 33 CA ASN A 17 9.264 5.589 -2.430 1.00 0.74 C ATOM 34 C ASN A 17 8.730 4.200 -2.150 1.00 0.61 C ATOM 35 O ASN A 17 8.037 3.987 -1.166 1.00 0.65 O ATOM 36 CB ASN A 17 8.292 6.339 -3.338 1.00 0.92 C ATOM 37 CG ASN A 17 7.011 6.714 -2.620 1.00 1.56 C ATOM 38 OD1 ASN A 17 6.934 7.764 -1.986 1.00 2.52 O ATOM 39 ND2 ASN A 17 5.994 5.868 -2.721 1.00 1.71 N ATOM 0 H ASN A 17 10.606 5.794 -4.021 1.00 0.78 H new ATOM 0 HA ASN A 17 9.361 6.140 -1.495 1.00 0.74 H new ATOM 0 HB2 ASN A 17 8.773 7.242 -3.715 1.00 0.92 H new ATOM 0 HB3 ASN A 17 8.054 5.720 -4.203 1.00 0.92 H new ATOM 0 HD21 ASN A 17 5.108 6.079 -2.263 1.00 1.71 H new ATOM 0 HD22 ASN A 17 6.099 5.006 -3.257 1.00 1.71 H new ATOM 46 N LYS A 18 9.092 3.258 -3.014 1.00 0.59 N ATOM 47 CA LYS A 18 8.596 1.891 -2.928 1.00 0.62 C ATOM 48 C LYS A 18 8.862 1.280 -1.551 1.00 0.53 C ATOM 49 O LYS A 18 7.942 0.811 -0.882 1.00 0.48 O ATOM 50 CB LYS A 18 9.241 1.015 -4.008 1.00 0.82 C ATOM 51 CG LYS A 18 9.121 1.564 -5.423 1.00 1.09 C ATOM 52 CD LYS A 18 7.683 1.889 -5.794 1.00 1.04 C ATOM 53 CE LYS A 18 7.541 2.195 -7.279 1.00 1.44 C ATOM 54 NZ LYS A 18 8.449 3.285 -7.727 1.00 1.90 N ATOM 0 H LYS A 18 9.734 3.420 -3.790 1.00 0.59 H new ATOM 0 HA LYS A 18 7.518 1.928 -3.085 1.00 0.62 H new ATOM 0 HB2 LYS A 18 10.297 0.886 -3.770 1.00 0.82 H new ATOM 0 HB3 LYS A 18 8.784 0.026 -3.976 1.00 0.82 H new ATOM 0 HG2 LYS A 18 9.730 2.463 -5.515 1.00 1.09 H new ATOM 0 HG3 LYS A 18 9.520 0.835 -6.128 1.00 1.09 H new ATOM 0 HD2 LYS A 18 7.041 1.048 -5.532 1.00 1.04 H new ATOM 0 HD3 LYS A 18 7.341 2.745 -5.212 1.00 1.04 H new ATOM 0 HE2 LYS A 18 7.751 1.293 -7.854 1.00 1.44 H new ATOM 0 HE3 LYS A 18 6.509 2.476 -7.491 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 8.338 3.431 -8.751 1.00 1.90 H new ATOM 0 HZ2 LYS A 18 8.211 4.164 -7.224 1.00 1.90 H new ATOM 0 HZ3 LYS A 18 9.434 3.023 -7.520 1.00 1.90 H new ATOM 68 N LYS A 19 10.119 1.305 -1.124 1.00 0.60 N ATOM 69 CA LYS A 19 10.507 0.663 0.127 1.00 0.61 C ATOM 70 C LYS A 19 9.950 1.406 1.341 1.00 0.53 C ATOM 71 O LYS A 19 9.549 0.786 2.327 1.00 0.55 O ATOM 72 CB LYS A 19 12.031 0.537 0.222 1.00 0.77 C ATOM 73 CG LYS A 19 12.773 1.867 0.206 1.00 0.82 C ATOM 74 CD LYS A 19 14.282 1.667 0.215 1.00 1.19 C ATOM 75 CE LYS A 19 14.757 1.011 1.502 1.00 1.06 C ATOM 76 NZ LYS A 19 16.210 0.700 1.463 1.00 1.49 N ATOM 0 H LYS A 19 10.884 1.760 -1.622 1.00 0.60 H new ATOM 0 HA LYS A 19 10.075 -0.338 0.129 1.00 0.61 H new ATOM 0 HB2 LYS A 19 12.283 0.005 1.139 1.00 0.77 H new ATOM 0 HB3 LYS A 19 12.386 -0.073 -0.608 1.00 0.77 H new ATOM 0 HG2 LYS A 19 12.486 2.434 -0.680 1.00 0.82 H new ATOM 0 HG3 LYS A 19 12.479 2.459 1.073 1.00 0.82 H new ATOM 0 HD2 LYS A 19 14.572 1.050 -0.636 1.00 1.19 H new ATOM 0 HD3 LYS A 19 14.777 2.630 0.094 1.00 1.19 H new ATOM 0 HE2 LYS A 19 14.550 1.672 2.344 1.00 1.06 H new ATOM 0 HE3 LYS A 19 14.194 0.093 1.671 1.00 1.06 H new ATOM 0 HZ1 LYS A 19 16.494 0.254 2.359 1.00 1.49 H new ATOM 0 HZ2 LYS A 19 16.405 0.049 0.675 1.00 1.49 H new ATOM 0 HZ3 LYS A 19 16.750 1.579 1.328 1.00 1.49 H new ATOM 90 N ARG A 20 9.907 2.731 1.265 1.00 0.54 N ATOM 91 CA ARG A 20 9.390 3.532 2.369 1.00 0.58 C ATOM 92 C ARG A 20 7.873 3.412 2.451 1.00 0.54 C ATOM 93 O ARG A 20 7.286 3.481 3.531 1.00 0.61 O ATOM 94 CB ARG A 20 9.818 4.995 2.228 1.00 0.70 C ATOM 95 CG ARG A 20 11.315 5.192 2.410 1.00 0.82 C ATOM 96 CD ARG A 20 11.709 6.661 2.413 1.00 1.01 C ATOM 97 NE ARG A 20 13.118 6.830 2.761 1.00 1.31 N ATOM 98 CZ ARG A 20 13.661 7.968 3.195 1.00 1.45 C ATOM 99 NH1 ARG A 20 12.937 9.077 3.269 1.00 1.32 N ATOM 100 NH2 ARG A 20 14.940 7.997 3.545 1.00 2.34 N ATOM 0 H ARG A 20 10.221 3.270 0.458 1.00 0.54 H new ATOM 0 HA ARG A 20 9.812 3.149 3.298 1.00 0.58 H new ATOM 0 HB2 ARG A 20 9.525 5.361 1.244 1.00 0.70 H new ATOM 0 HB3 ARG A 20 9.285 5.597 2.964 1.00 0.70 H new ATOM 0 HG2 ARG A 20 11.628 4.732 3.348 1.00 0.82 H new ATOM 0 HG3 ARG A 20 11.847 4.677 1.610 1.00 0.82 H new ATOM 0 HD2 ARG A 20 11.520 7.093 1.430 1.00 1.01 H new ATOM 0 HD3 ARG A 20 11.088 7.205 3.125 1.00 1.01 H new ATOM 0 HE ARG A 20 13.730 6.020 2.665 1.00 1.31 H new ATOM 0 HH11 ARG A 20 11.955 9.065 2.993 1.00 1.32 H new ATOM 0 HH12 ARG A 20 13.362 9.942 3.602 1.00 1.32 H new ATOM 0 HH21 ARG A 20 15.505 7.150 3.482 1.00 2.34 H new ATOM 0 HH22 ARG A 20 15.358 8.866 3.877 1.00 2.34 H new ATOM 114 N LEU A 21 7.256 3.218 1.298 1.00 0.54 N ATOM 115 CA LEU A 21 5.824 2.979 1.207 1.00 0.59 C ATOM 116 C LEU A 21 5.452 1.698 1.944 1.00 0.57 C ATOM 117 O LEU A 21 4.499 1.665 2.723 1.00 0.64 O ATOM 118 CB LEU A 21 5.428 2.879 -0.273 1.00 0.64 C ATOM 119 CG LEU A 21 3.999 2.426 -0.564 1.00 0.61 C ATOM 120 CD1 LEU A 21 3.003 3.337 0.127 1.00 0.70 C ATOM 121 CD2 LEU A 21 3.747 2.408 -2.065 1.00 0.61 C ATOM 0 H LEU A 21 7.734 3.222 0.397 1.00 0.54 H new ATOM 0 HA LEU A 21 5.286 3.805 1.673 1.00 0.59 H new ATOM 0 HB2 LEU A 21 5.577 3.856 -0.733 1.00 0.64 H new ATOM 0 HB3 LEU A 21 6.112 2.187 -0.764 1.00 0.64 H new ATOM 0 HG LEU A 21 3.870 1.416 -0.176 1.00 0.61 H new ATOM 0 HD11 LEU A 21 1.990 3.000 -0.091 1.00 0.70 H new ATOM 0 HD12 LEU A 21 3.171 3.310 1.204 1.00 0.70 H new ATOM 0 HD13 LEU A 21 3.132 4.357 -0.234 1.00 0.70 H new ATOM 0 HD21 LEU A 21 2.725 2.083 -2.258 1.00 0.61 H new ATOM 0 HD22 LEU A 21 3.893 3.409 -2.470 1.00 0.61 H new ATOM 0 HD23 LEU A 21 4.443 1.719 -2.543 1.00 0.61 H new ATOM 133 N ALA A 22 6.240 0.659 1.708 1.00 0.56 N ATOM 134 CA ALA A 22 5.967 -0.664 2.245 1.00 0.63 C ATOM 135 C ALA A 22 5.915 -0.679 3.765 1.00 0.51 C ATOM 136 O ALA A 22 4.871 -0.965 4.346 1.00 0.44 O ATOM 137 CB ALA A 22 7.020 -1.642 1.767 1.00 0.83 C ATOM 0 H ALA A 22 7.085 0.710 1.139 1.00 0.56 H new ATOM 0 HA ALA A 22 4.983 -0.959 1.881 1.00 0.63 H new ATOM 0 HB1 ALA A 22 6.809 -2.631 2.173 1.00 0.83 H new ATOM 0 HB2 ALA A 22 7.007 -1.687 0.678 1.00 0.83 H new ATOM 0 HB3 ALA A 22 8.003 -1.313 2.105 1.00 0.83 H new ATOM 143 N TYR A 23 7.038 -0.366 4.408 1.00 0.62 N ATOM 144 CA TYR A 23 7.145 -0.503 5.858 1.00 0.76 C ATOM 145 C TYR A 23 6.128 0.390 6.560 1.00 0.67 C ATOM 146 O TYR A 23 5.581 0.030 7.602 1.00 0.67 O ATOM 147 CB TYR A 23 8.568 -0.175 6.335 1.00 1.11 C ATOM 148 CG TYR A 23 8.824 1.295 6.597 1.00 1.03 C ATOM 149 CD1 TYR A 23 8.547 1.857 7.838 1.00 1.46 C ATOM 150 CD2 TYR A 23 9.329 2.119 5.604 1.00 1.86 C ATOM 151 CE1 TYR A 23 8.765 3.197 8.079 1.00 1.82 C ATOM 152 CE2 TYR A 23 9.547 3.463 5.837 1.00 2.48 C ATOM 153 CZ TYR A 23 9.265 3.996 7.075 1.00 2.23 C ATOM 154 OH TYR A 23 9.467 5.336 7.300 1.00 2.99 O ATOM 0 H TYR A 23 7.881 -0.018 3.951 1.00 0.62 H new ATOM 0 HA TYR A 23 6.929 -1.540 6.116 1.00 0.76 H new ATOM 0 HB2 TYR A 23 8.768 -0.733 7.250 1.00 1.11 H new ATOM 0 HB3 TYR A 23 9.278 -0.526 5.586 1.00 1.11 H new ATOM 0 HD1 TYR A 23 8.154 1.233 8.627 1.00 1.46 H new ATOM 0 HD2 TYR A 23 9.556 1.704 4.633 1.00 1.86 H new ATOM 0 HE1 TYR A 23 8.545 3.617 9.049 1.00 1.82 H new ATOM 0 HE2 TYR A 23 9.937 4.093 5.051 1.00 2.48 H new ATOM 0 HH TYR A 23 10.420 5.544 7.202 1.00 2.99 H new ATOM 164 N ALA A 24 5.882 1.554 5.975 1.00 0.72 N ATOM 165 CA ALA A 24 4.932 2.503 6.534 1.00 0.87 C ATOM 166 C ALA A 24 3.522 1.931 6.516 1.00 0.75 C ATOM 167 O ALA A 24 2.773 2.073 7.483 1.00 0.84 O ATOM 168 CB ALA A 24 4.985 3.814 5.774 1.00 1.14 C ATOM 0 H ALA A 24 6.329 1.863 5.112 1.00 0.72 H new ATOM 0 HA ALA A 24 5.208 2.692 7.571 1.00 0.87 H new ATOM 0 HB1 ALA A 24 4.268 4.513 6.205 1.00 1.14 H new ATOM 0 HB2 ALA A 24 5.988 4.234 5.843 1.00 1.14 H new ATOM 0 HB3 ALA A 24 4.736 3.638 4.727 1.00 1.14 H new ATOM 174 N ILE A 25 3.166 1.288 5.411 1.00 0.62 N ATOM 175 CA ILE A 25 1.884 0.611 5.310 1.00 0.71 C ATOM 176 C ILE A 25 1.859 -0.604 6.232 1.00 0.61 C ATOM 177 O ILE A 25 0.859 -0.866 6.890 1.00 0.66 O ATOM 178 CB ILE A 25 1.574 0.197 3.850 1.00 0.80 C ATOM 179 CG1 ILE A 25 1.241 1.440 3.018 1.00 0.97 C ATOM 180 CG2 ILE A 25 0.430 -0.807 3.788 1.00 0.91 C ATOM 181 CD1 ILE A 25 0.842 1.137 1.589 1.00 0.89 C ATOM 0 H ILE A 25 3.747 1.222 4.575 1.00 0.62 H new ATOM 0 HA ILE A 25 1.107 1.309 5.623 1.00 0.71 H new ATOM 0 HB ILE A 25 2.459 -0.286 3.436 1.00 0.80 H new ATOM 0 HG12 ILE A 25 0.430 1.983 3.503 1.00 0.97 H new ATOM 0 HG13 ILE A 25 2.107 2.102 3.010 1.00 0.97 H new ATOM 0 HG21 ILE A 25 0.238 -1.076 2.749 1.00 0.91 H new ATOM 0 HG22 ILE A 25 0.699 -1.701 4.351 1.00 0.91 H new ATOM 0 HG23 ILE A 25 -0.467 -0.363 4.219 1.00 0.91 H new ATOM 0 HD11 ILE A 25 0.622 2.068 1.067 1.00 0.89 H new ATOM 0 HD12 ILE A 25 1.660 0.622 1.084 1.00 0.89 H new ATOM 0 HD13 ILE A 25 -0.044 0.502 1.585 1.00 0.89 H new ATOM 193 N ILE A 26 2.978 -1.317 6.300 1.00 0.53 N ATOM 194 CA ILE A 26 3.105 -2.474 7.178 1.00 0.53 C ATOM 195 C ILE A 26 2.819 -2.106 8.633 1.00 0.51 C ATOM 196 O ILE A 26 1.982 -2.728 9.281 1.00 0.53 O ATOM 197 CB ILE A 26 4.510 -3.109 7.087 1.00 0.58 C ATOM 198 CG1 ILE A 26 4.698 -3.797 5.730 1.00 0.67 C ATOM 199 CG2 ILE A 26 4.723 -4.090 8.231 1.00 0.62 C ATOM 200 CD1 ILE A 26 6.088 -4.361 5.519 1.00 0.78 C ATOM 0 H ILE A 26 3.815 -1.112 5.754 1.00 0.53 H new ATOM 0 HA ILE A 26 2.365 -3.199 6.839 1.00 0.53 H new ATOM 0 HB ILE A 26 5.258 -2.321 7.173 1.00 0.58 H new ATOM 0 HG12 ILE A 26 3.971 -4.604 5.638 1.00 0.67 H new ATOM 0 HG13 ILE A 26 4.482 -3.081 4.937 1.00 0.67 H new ATOM 0 HG21 ILE A 26 5.718 -4.529 8.153 1.00 0.62 H new ATOM 0 HG22 ILE A 26 4.631 -3.565 9.182 1.00 0.62 H new ATOM 0 HG23 ILE A 26 3.973 -4.879 8.178 1.00 0.62 H new ATOM 0 HD11 ILE A 26 6.144 -4.832 4.538 1.00 0.78 H new ATOM 0 HD12 ILE A 26 6.820 -3.556 5.578 1.00 0.78 H new ATOM 0 HD13 ILE A 26 6.301 -5.102 6.290 1.00 0.78 H new ATOM 212 N GLN A 27 3.509 -1.089 9.136 1.00 0.54 N ATOM 213 CA GLN A 27 3.348 -0.674 10.526 1.00 0.62 C ATOM 214 C GLN A 27 1.930 -0.192 10.796 1.00 0.55 C ATOM 215 O GLN A 27 1.375 -0.433 11.869 1.00 0.57 O ATOM 216 CB GLN A 27 4.359 0.414 10.888 1.00 0.79 C ATOM 217 CG GLN A 27 5.790 -0.091 10.936 1.00 0.89 C ATOM 218 CD GLN A 27 5.961 -1.257 11.894 1.00 1.10 C ATOM 219 OE1 GLN A 27 5.254 -1.364 12.896 1.00 1.58 O ATOM 220 NE2 GLN A 27 6.900 -2.136 11.593 1.00 1.34 N ATOM 0 H GLN A 27 4.183 -0.538 8.605 1.00 0.54 H new ATOM 0 HA GLN A 27 3.535 -1.544 11.155 1.00 0.62 H new ATOM 0 HB2 GLN A 27 4.290 1.222 10.160 1.00 0.79 H new ATOM 0 HB3 GLN A 27 4.097 0.836 11.858 1.00 0.79 H new ATOM 0 HG2 GLN A 27 6.098 -0.398 9.936 1.00 0.89 H new ATOM 0 HG3 GLN A 27 6.450 0.723 11.237 1.00 0.89 H new ATOM 0 HE21 GLN A 27 7.465 -2.011 10.753 1.00 1.34 H new ATOM 0 HE22 GLN A 27 7.060 -2.939 12.201 1.00 1.34 H new ATOM 229 N PHE A 28 1.341 0.473 9.812 1.00 0.52 N ATOM 230 CA PHE A 28 -0.034 0.926 9.925 1.00 0.51 C ATOM 231 C PHE A 28 -0.974 -0.272 9.951 1.00 0.43 C ATOM 232 O PHE A 28 -1.888 -0.332 10.765 1.00 0.42 O ATOM 233 CB PHE A 28 -0.388 1.855 8.764 1.00 0.60 C ATOM 234 CG PHE A 28 -1.764 2.454 8.859 1.00 0.90 C ATOM 235 CD1 PHE A 28 -1.971 3.643 9.541 1.00 1.62 C ATOM 236 CD2 PHE A 28 -2.849 1.830 8.264 1.00 1.60 C ATOM 237 CE1 PHE A 28 -3.234 4.197 9.626 1.00 1.95 C ATOM 238 CE2 PHE A 28 -4.112 2.379 8.347 1.00 1.98 C ATOM 239 CZ PHE A 28 -4.306 3.564 9.030 1.00 1.83 C ATOM 0 H PHE A 28 1.794 0.709 8.929 1.00 0.52 H new ATOM 0 HA PHE A 28 -0.145 1.483 10.855 1.00 0.51 H new ATOM 0 HB2 PHE A 28 0.345 2.660 8.719 1.00 0.60 H new ATOM 0 HB3 PHE A 28 -0.308 1.299 7.830 1.00 0.60 H new ATOM 0 HD1 PHE A 28 -1.136 4.142 10.011 1.00 1.62 H new ATOM 0 HD2 PHE A 28 -2.704 0.903 7.729 1.00 1.60 H new ATOM 0 HE1 PHE A 28 -3.382 5.125 10.159 1.00 1.95 H new ATOM 0 HE2 PHE A 28 -4.949 1.883 7.878 1.00 1.98 H new ATOM 0 HZ PHE A 28 -5.294 3.994 9.097 1.00 1.83 H new ATOM 249 N LEU A 29 -0.728 -1.230 9.063 1.00 0.45 N ATOM 250 CA LEU A 29 -1.529 -2.446 8.994 1.00 0.45 C ATOM 251 C LEU A 29 -1.334 -3.302 10.240 1.00 0.45 C ATOM 252 O LEU A 29 -2.227 -4.041 10.634 1.00 0.48 O ATOM 253 CB LEU A 29 -1.185 -3.257 7.741 1.00 0.53 C ATOM 254 CG LEU A 29 -2.076 -3.003 6.516 1.00 0.59 C ATOM 255 CD1 LEU A 29 -2.077 -1.533 6.126 1.00 0.57 C ATOM 256 CD2 LEU A 29 -1.622 -3.864 5.347 1.00 0.70 C ATOM 0 H LEU A 29 0.025 -1.186 8.377 1.00 0.45 H new ATOM 0 HA LEU A 29 -2.576 -2.148 8.940 1.00 0.45 H new ATOM 0 HB2 LEU A 29 -0.152 -3.045 7.466 1.00 0.53 H new ATOM 0 HB3 LEU A 29 -1.237 -4.317 7.991 1.00 0.53 H new ATOM 0 HG LEU A 29 -3.097 -3.277 6.781 1.00 0.59 H new ATOM 0 HD11 LEU A 29 -2.717 -1.388 5.256 1.00 0.57 H new ATOM 0 HD12 LEU A 29 -2.453 -0.936 6.957 1.00 0.57 H new ATOM 0 HD13 LEU A 29 -1.061 -1.220 5.885 1.00 0.57 H new ATOM 0 HD21 LEU A 29 -2.262 -3.674 4.485 1.00 0.70 H new ATOM 0 HD22 LEU A 29 -0.590 -3.619 5.094 1.00 0.70 H new ATOM 0 HD23 LEU A 29 -1.688 -4.916 5.623 1.00 0.70 H new ATOM 268 N HIS A 30 -0.163 -3.195 10.854 1.00 0.47 N ATOM 269 CA HIS A 30 0.125 -3.911 12.091 1.00 0.53 C ATOM 270 C HIS A 30 -0.730 -3.355 13.229 1.00 0.47 C ATOM 271 O HIS A 30 -1.338 -4.107 13.990 1.00 0.49 O ATOM 272 CB HIS A 30 1.615 -3.799 12.433 1.00 0.67 C ATOM 273 CG HIS A 30 2.044 -4.659 13.583 1.00 0.93 C ATOM 274 ND1 HIS A 30 2.317 -4.163 14.841 1.00 1.11 N ATOM 275 CD2 HIS A 30 2.261 -5.993 13.654 1.00 1.18 C ATOM 276 CE1 HIS A 30 2.683 -5.156 15.632 1.00 1.37 C ATOM 277 NE2 HIS A 30 2.656 -6.272 14.935 1.00 1.41 N ATOM 0 H HIS A 30 0.606 -2.617 10.514 1.00 0.47 H new ATOM 0 HA HIS A 30 -0.119 -4.965 11.955 1.00 0.53 H new ATOM 0 HB2 HIS A 30 2.200 -4.068 11.554 1.00 0.67 H new ATOM 0 HB3 HIS A 30 1.847 -2.759 12.664 1.00 0.67 H new ATOM 0 HD2 HIS A 30 2.144 -6.705 12.850 1.00 1.18 H new ATOM 0 HE1 HIS A 30 2.957 -5.067 16.673 1.00 1.37 H new ATOM 0 HE2 HIS A 30 2.892 -7.198 15.292 1.00 1.41 H new ATOM 286 N ASP A 31 -0.781 -2.031 13.326 1.00 0.48 N ATOM 287 CA ASP A 31 -1.634 -1.361 14.307 1.00 0.51 C ATOM 288 C ASP A 31 -3.100 -1.603 13.969 1.00 0.45 C ATOM 289 O ASP A 31 -3.926 -1.858 14.841 1.00 0.49 O ATOM 290 CB ASP A 31 -1.343 0.143 14.320 1.00 0.63 C ATOM 291 CG ASP A 31 -2.227 0.905 15.291 1.00 1.24 C ATOM 292 OD1 ASP A 31 -1.866 0.993 16.484 1.00 1.98 O ATOM 293 OD2 ASP A 31 -3.281 1.427 14.862 1.00 1.79 O ATOM 0 H ASP A 31 -0.241 -1.397 12.737 1.00 0.48 H new ATOM 0 HA ASP A 31 -1.423 -1.769 15.295 1.00 0.51 H new ATOM 0 HB2 ASP A 31 -0.298 0.304 14.584 1.00 0.63 H new ATOM 0 HB3 ASP A 31 -1.483 0.544 13.316 1.00 0.63 H new ATOM 298 N GLN A 32 -3.392 -1.537 12.679 1.00 0.42 N ATOM 299 CA GLN A 32 -4.724 -1.788 12.145 1.00 0.43 C ATOM 300 C GLN A 32 -5.178 -3.205 12.487 1.00 0.38 C ATOM 301 O GLN A 32 -6.352 -3.448 12.769 1.00 0.43 O ATOM 302 CB GLN A 32 -4.678 -1.601 10.631 1.00 0.52 C ATOM 303 CG GLN A 32 -6.027 -1.493 9.954 1.00 0.57 C ATOM 304 CD GLN A 32 -5.887 -1.255 8.464 1.00 1.17 C ATOM 305 OE1 GLN A 32 -6.716 -0.587 7.850 1.00 1.92 O ATOM 306 NE2 GLN A 32 -4.837 -1.806 7.871 1.00 1.31 N ATOM 0 H GLN A 32 -2.703 -1.305 11.964 1.00 0.42 H new ATOM 0 HA GLN A 32 -5.436 -1.091 12.587 1.00 0.43 H new ATOM 0 HB2 GLN A 32 -4.105 -0.701 10.409 1.00 0.52 H new ATOM 0 HB3 GLN A 32 -4.136 -2.439 10.194 1.00 0.52 H new ATOM 0 HG2 GLN A 32 -6.595 -2.408 10.125 1.00 0.57 H new ATOM 0 HG3 GLN A 32 -6.595 -0.677 10.401 1.00 0.57 H new ATOM 0 HE21 GLN A 32 -4.172 -2.353 8.417 1.00 1.31 H new ATOM 0 HE22 GLN A 32 -4.694 -1.682 6.869 1.00 1.31 H new ATOM 315 N LEU A 33 -4.229 -4.130 12.454 1.00 0.36 N ATOM 316 CA LEU A 33 -4.483 -5.523 12.789 1.00 0.42 C ATOM 317 C LEU A 33 -4.798 -5.642 14.274 1.00 0.46 C ATOM 318 O LEU A 33 -5.773 -6.282 14.667 1.00 0.54 O ATOM 319 CB LEU A 33 -3.249 -6.366 12.437 1.00 0.53 C ATOM 320 CG LEU A 33 -3.522 -7.776 11.905 1.00 0.80 C ATOM 321 CD1 LEU A 33 -4.150 -8.655 12.973 1.00 1.22 C ATOM 322 CD2 LEU A 33 -4.412 -7.707 10.675 1.00 0.83 C ATOM 0 H LEU A 33 -3.262 -3.935 12.194 1.00 0.36 H new ATOM 0 HA LEU A 33 -5.337 -5.888 12.218 1.00 0.42 H new ATOM 0 HB2 LEU A 33 -2.666 -5.825 11.691 1.00 0.53 H new ATOM 0 HB3 LEU A 33 -2.627 -6.451 13.328 1.00 0.53 H new ATOM 0 HG LEU A 33 -2.569 -8.226 11.625 1.00 0.80 H new ATOM 0 HD11 LEU A 33 -4.332 -9.649 12.565 1.00 1.22 H new ATOM 0 HD12 LEU A 33 -3.475 -8.730 13.825 1.00 1.22 H new ATOM 0 HD13 LEU A 33 -5.094 -8.217 13.296 1.00 1.22 H new ATOM 0 HD21 LEU A 33 -4.600 -8.715 10.305 1.00 0.83 H new ATOM 0 HD22 LEU A 33 -5.359 -7.234 10.937 1.00 0.83 H new ATOM 0 HD23 LEU A 33 -3.917 -7.122 9.900 1.00 0.83 H new ATOM 334 N ARG A 34 -3.977 -4.993 15.085 1.00 0.47 N ATOM 335 CA ARG A 34 -4.140 -5.018 16.530 1.00 0.58 C ATOM 336 C ARG A 34 -5.447 -4.346 16.943 1.00 0.58 C ATOM 337 O ARG A 34 -6.099 -4.765 17.897 1.00 0.69 O ATOM 338 CB ARG A 34 -2.954 -4.315 17.198 1.00 0.69 C ATOM 339 CG ARG A 34 -2.938 -4.431 18.713 1.00 1.40 C ATOM 340 CD ARG A 34 -2.804 -5.877 19.157 1.00 1.45 C ATOM 341 NE ARG A 34 -2.672 -6.000 20.605 1.00 2.17 N ATOM 342 CZ ARG A 34 -2.720 -7.158 21.260 1.00 2.52 C ATOM 343 NH1 ARG A 34 -2.921 -8.293 20.597 1.00 2.19 N ATOM 344 NH2 ARG A 34 -2.573 -7.180 22.578 1.00 3.49 N ATOM 0 H ARG A 34 -3.184 -4.438 14.763 1.00 0.47 H new ATOM 0 HA ARG A 34 -4.174 -6.058 16.856 1.00 0.58 H new ATOM 0 HB2 ARG A 34 -2.028 -4.732 16.802 1.00 0.69 H new ATOM 0 HB3 ARG A 34 -2.970 -3.260 16.925 1.00 0.69 H new ATOM 0 HG2 ARG A 34 -2.110 -3.847 19.115 1.00 1.40 H new ATOM 0 HG3 ARG A 34 -3.855 -4.007 19.122 1.00 1.40 H new ATOM 0 HD2 ARG A 34 -3.676 -6.439 18.825 1.00 1.45 H new ATOM 0 HD3 ARG A 34 -1.934 -6.324 18.676 1.00 1.45 H new ATOM 0 HE ARG A 34 -2.535 -5.148 21.148 1.00 2.17 H new ATOM 0 HH11 ARG A 34 -3.039 -8.278 19.584 1.00 2.19 H new ATOM 0 HH12 ARG A 34 -2.957 -9.179 21.101 1.00 2.19 H new ATOM 0 HH21 ARG A 34 -2.423 -6.310 23.089 1.00 3.49 H new ATOM 0 HH22 ARG A 34 -2.610 -8.067 23.081 1.00 3.49 H new ATOM 358 N HIS A 35 -5.828 -3.305 16.216 1.00 0.53 N ATOM 359 CA HIS A 35 -7.039 -2.558 16.526 1.00 0.58 C ATOM 360 C HIS A 35 -8.278 -3.260 15.973 1.00 0.58 C ATOM 361 O HIS A 35 -9.399 -2.997 16.407 1.00 0.74 O ATOM 362 CB HIS A 35 -6.945 -1.136 15.963 1.00 0.59 C ATOM 363 CG HIS A 35 -7.994 -0.203 16.488 1.00 1.15 C ATOM 364 ND1 HIS A 35 -9.133 0.132 15.786 1.00 1.98 N ATOM 365 CD2 HIS A 35 -8.066 0.475 17.658 1.00 1.61 C ATOM 366 CE1 HIS A 35 -9.854 0.974 16.500 1.00 2.68 C ATOM 367 NE2 HIS A 35 -9.230 1.198 17.638 1.00 2.42 N ATOM 0 H HIS A 35 -5.315 -2.958 15.406 1.00 0.53 H new ATOM 0 HA HIS A 35 -7.133 -2.507 17.611 1.00 0.58 H new ATOM 0 HB2 HIS A 35 -5.961 -0.728 16.195 1.00 0.59 H new ATOM 0 HB3 HIS A 35 -7.023 -1.180 14.877 1.00 0.59 H new ATOM 0 HD2 HIS A 35 -7.341 0.451 18.458 1.00 1.61 H new ATOM 0 HE1 HIS A 35 -10.797 1.407 16.202 1.00 2.68 H new ATOM 0 HE2 HIS A 35 -9.560 1.811 18.384 1.00 2.42 H new ATOM 376 N GLY A 36 -8.061 -4.159 15.018 1.00 0.49 N ATOM 377 CA GLY A 36 -9.162 -4.871 14.395 1.00 0.51 C ATOM 378 C GLY A 36 -9.901 -4.003 13.399 1.00 0.47 C ATOM 379 O GLY A 36 -11.128 -4.021 13.341 1.00 0.53 O ATOM 0 H GLY A 36 -7.138 -4.408 14.663 1.00 0.49 H new ATOM 0 HA2 GLY A 36 -8.781 -5.759 13.891 1.00 0.51 H new ATOM 0 HA3 GLY A 36 -9.855 -5.213 15.164 1.00 0.51 H new ATOM 383 N GLY A 37 -9.142 -3.241 12.616 1.00 0.41 N ATOM 384 CA GLY A 37 -9.730 -2.283 11.695 1.00 0.40 C ATOM 385 C GLY A 37 -10.565 -2.925 10.604 1.00 0.39 C ATOM 386 O GLY A 37 -11.605 -2.393 10.218 1.00 0.52 O ATOM 0 H GLY A 37 -8.123 -3.271 12.603 1.00 0.41 H new ATOM 0 HA2 GLY A 37 -10.353 -1.587 12.256 1.00 0.40 H new ATOM 0 HA3 GLY A 37 -8.934 -1.698 11.235 1.00 0.40 H new ATOM 390 N LEU A 38 -10.118 -4.067 10.106 1.00 0.36 N ATOM 391 CA LEU A 38 -10.818 -4.741 9.019 1.00 0.41 C ATOM 392 C LEU A 38 -11.669 -5.898 9.529 1.00 0.49 C ATOM 393 O LEU A 38 -11.661 -6.210 10.721 1.00 0.83 O ATOM 394 CB LEU A 38 -9.831 -5.243 7.959 1.00 0.44 C ATOM 395 CG LEU A 38 -9.422 -4.227 6.883 1.00 0.44 C ATOM 396 CD1 LEU A 38 -10.636 -3.747 6.101 1.00 0.51 C ATOM 397 CD2 LEU A 38 -8.691 -3.049 7.499 1.00 0.47 C ATOM 0 H LEU A 38 -9.279 -4.546 10.433 1.00 0.36 H new ATOM 0 HA LEU A 38 -11.483 -4.007 8.562 1.00 0.41 H new ATOM 0 HB2 LEU A 38 -8.930 -5.588 8.465 1.00 0.44 H new ATOM 0 HB3 LEU A 38 -10.270 -6.109 7.464 1.00 0.44 H new ATOM 0 HG LEU A 38 -8.744 -4.728 6.192 1.00 0.44 H new ATOM 0 HD11 LEU A 38 -10.321 -3.028 5.345 1.00 0.51 H new ATOM 0 HD12 LEU A 38 -11.116 -4.597 5.616 1.00 0.51 H new ATOM 0 HD13 LEU A 38 -11.342 -3.271 6.781 1.00 0.51 H new ATOM 0 HD21 LEU A 38 -8.412 -2.344 6.716 1.00 0.47 H new ATOM 0 HD22 LEU A 38 -9.342 -2.553 8.219 1.00 0.47 H new ATOM 0 HD23 LEU A 38 -7.793 -3.403 8.005 1.00 0.47 H new ATOM 409 N SER A 39 -12.397 -6.524 8.612 1.00 0.47 N ATOM 410 CA SER A 39 -13.272 -7.645 8.934 1.00 0.54 C ATOM 411 C SER A 39 -12.460 -8.908 9.249 1.00 0.48 C ATOM 412 O SER A 39 -11.237 -8.855 9.344 1.00 0.46 O ATOM 413 CB SER A 39 -14.217 -7.891 7.758 1.00 0.67 C ATOM 414 OG SER A 39 -14.858 -6.687 7.371 1.00 1.42 O ATOM 0 H SER A 39 -12.397 -6.269 7.624 1.00 0.47 H new ATOM 0 HA SER A 39 -13.852 -7.401 9.824 1.00 0.54 H new ATOM 0 HB2 SER A 39 -13.659 -8.299 6.915 1.00 0.67 H new ATOM 0 HB3 SER A 39 -14.965 -8.634 8.035 1.00 0.67 H new ATOM 0 HG SER A 39 -15.457 -6.864 6.616 1.00 1.42 H new ATOM 420 N SER A 40 -13.141 -10.040 9.393 1.00 0.60 N ATOM 421 CA SER A 40 -12.498 -11.287 9.803 1.00 0.61 C ATOM 422 C SER A 40 -11.459 -11.755 8.781 1.00 0.53 C ATOM 423 O SER A 40 -10.259 -11.767 9.066 1.00 0.50 O ATOM 424 CB SER A 40 -13.557 -12.369 10.016 1.00 0.77 C ATOM 425 OG SER A 40 -12.978 -13.588 10.446 1.00 1.63 O ATOM 0 H SER A 40 -14.145 -10.121 9.231 1.00 0.60 H new ATOM 0 HA SER A 40 -11.972 -11.101 10.740 1.00 0.61 H new ATOM 0 HB2 SER A 40 -14.282 -12.029 10.756 1.00 0.77 H new ATOM 0 HB3 SER A 40 -14.103 -12.533 9.087 1.00 0.77 H new ATOM 0 HG SER A 40 -13.682 -14.257 10.574 1.00 1.63 H new ATOM 431 N ASP A 41 -11.918 -12.127 7.589 1.00 0.57 N ATOM 432 CA ASP A 41 -11.022 -12.612 6.539 1.00 0.58 C ATOM 433 C ASP A 41 -10.109 -11.493 6.076 1.00 0.53 C ATOM 434 O ASP A 41 -8.973 -11.723 5.659 1.00 0.56 O ATOM 435 CB ASP A 41 -11.814 -13.156 5.346 1.00 0.71 C ATOM 436 CG ASP A 41 -12.549 -14.439 5.667 1.00 1.25 C ATOM 437 OD1 ASP A 41 -11.938 -15.522 5.541 1.00 2.20 O ATOM 438 OD2 ASP A 41 -13.738 -14.371 6.044 1.00 1.69 O ATOM 0 H ASP A 41 -12.903 -12.103 7.325 1.00 0.57 H new ATOM 0 HA ASP A 41 -10.423 -13.422 6.955 1.00 0.58 H new ATOM 0 HB2 ASP A 41 -12.531 -12.404 5.018 1.00 0.71 H new ATOM 0 HB3 ASP A 41 -11.133 -13.331 4.513 1.00 0.71 H new ATOM 443 N ALA A 42 -10.624 -10.280 6.163 1.00 0.51 N ATOM 444 CA ALA A 42 -9.869 -9.094 5.810 1.00 0.51 C ATOM 445 C ALA A 42 -8.654 -8.931 6.718 1.00 0.47 C ATOM 446 O ALA A 42 -7.555 -8.625 6.256 1.00 0.52 O ATOM 447 CB ALA A 42 -10.773 -7.880 5.903 1.00 0.54 C ATOM 0 H ALA A 42 -11.575 -10.091 6.480 1.00 0.51 H new ATOM 0 HA ALA A 42 -9.505 -9.195 4.788 1.00 0.51 H new ATOM 0 HB1 ALA A 42 -10.209 -6.985 5.638 1.00 0.54 H new ATOM 0 HB2 ALA A 42 -11.611 -7.997 5.216 1.00 0.54 H new ATOM 0 HB3 ALA A 42 -11.149 -7.784 6.921 1.00 0.54 H new ATOM 453 N GLN A 43 -8.865 -9.153 8.010 1.00 0.44 N ATOM 454 CA GLN A 43 -7.806 -9.053 9.007 1.00 0.45 C ATOM 455 C GLN A 43 -6.719 -10.090 8.734 1.00 0.45 C ATOM 456 O GLN A 43 -5.524 -9.790 8.780 1.00 0.48 O ATOM 457 CB GLN A 43 -8.406 -9.264 10.400 1.00 0.49 C ATOM 458 CG GLN A 43 -7.487 -8.870 11.539 1.00 0.82 C ATOM 459 CD GLN A 43 -8.136 -9.033 12.901 1.00 0.85 C ATOM 460 OE1 GLN A 43 -7.807 -8.315 13.844 1.00 1.56 O ATOM 461 NE2 GLN A 43 -9.057 -9.974 13.017 1.00 1.12 N ATOM 0 H GLN A 43 -9.774 -9.407 8.396 1.00 0.44 H new ATOM 0 HA GLN A 43 -7.352 -8.063 8.954 1.00 0.45 H new ATOM 0 HB2 GLN A 43 -9.329 -8.689 10.477 1.00 0.49 H new ATOM 0 HB3 GLN A 43 -8.675 -10.314 10.512 1.00 0.49 H new ATOM 0 HG2 GLN A 43 -6.583 -9.478 11.497 1.00 0.82 H new ATOM 0 HG3 GLN A 43 -7.180 -7.832 11.410 1.00 0.82 H new ATOM 0 HE21 GLN A 43 -9.303 -10.549 12.211 1.00 1.12 H new ATOM 0 HE22 GLN A 43 -9.522 -10.125 13.912 1.00 1.12 H new ATOM 470 N GLU A 44 -7.142 -11.308 8.432 1.00 0.49 N ATOM 471 CA GLU A 44 -6.209 -12.384 8.123 1.00 0.54 C ATOM 472 C GLU A 44 -5.396 -12.034 6.881 1.00 0.51 C ATOM 473 O GLU A 44 -4.199 -12.311 6.802 1.00 0.50 O ATOM 474 CB GLU A 44 -6.962 -13.698 7.904 1.00 0.68 C ATOM 475 CG GLU A 44 -7.938 -14.037 9.020 1.00 1.20 C ATOM 476 CD GLU A 44 -7.285 -14.077 10.387 1.00 1.65 C ATOM 477 OE1 GLU A 44 -7.213 -13.021 11.050 1.00 2.20 O ATOM 478 OE2 GLU A 44 -6.849 -15.168 10.813 1.00 2.36 O ATOM 0 H GLU A 44 -8.125 -11.577 8.394 1.00 0.49 H new ATOM 0 HA GLU A 44 -5.530 -12.508 8.967 1.00 0.54 H new ATOM 0 HB2 GLU A 44 -7.507 -13.641 6.962 1.00 0.68 H new ATOM 0 HB3 GLU A 44 -6.240 -14.508 7.806 1.00 0.68 H new ATOM 0 HG2 GLU A 44 -8.741 -13.300 9.029 1.00 1.20 H new ATOM 0 HG3 GLU A 44 -8.395 -15.005 8.814 1.00 1.20 H new ATOM 485 N SER A 45 -6.055 -11.387 5.930 1.00 0.54 N ATOM 486 CA SER A 45 -5.420 -10.994 4.685 1.00 0.59 C ATOM 487 C SER A 45 -4.381 -9.893 4.906 1.00 0.55 C ATOM 488 O SER A 45 -3.429 -9.776 4.135 1.00 0.58 O ATOM 489 CB SER A 45 -6.477 -10.530 3.682 1.00 0.71 C ATOM 490 OG SER A 45 -7.413 -11.562 3.418 1.00 1.04 O ATOM 0 H SER A 45 -7.038 -11.122 6.001 1.00 0.54 H new ATOM 0 HA SER A 45 -4.900 -11.864 4.285 1.00 0.59 H new ATOM 0 HB2 SER A 45 -6.996 -9.655 4.073 1.00 0.71 H new ATOM 0 HB3 SER A 45 -5.994 -10.226 2.753 1.00 0.71 H new ATOM 0 HG SER A 45 -8.006 -11.672 4.191 1.00 1.04 H new ATOM 496 N LEU A 46 -4.553 -9.093 5.958 1.00 0.56 N ATOM 497 CA LEU A 46 -3.587 -8.040 6.258 1.00 0.60 C ATOM 498 C LEU A 46 -2.241 -8.648 6.600 1.00 0.50 C ATOM 499 O LEU A 46 -1.226 -8.274 6.025 1.00 0.48 O ATOM 500 CB LEU A 46 -4.038 -7.156 7.424 1.00 0.74 C ATOM 501 CG LEU A 46 -5.379 -6.444 7.256 1.00 0.75 C ATOM 502 CD1 LEU A 46 -5.574 -5.404 8.348 1.00 1.28 C ATOM 503 CD2 LEU A 46 -5.484 -5.799 5.881 1.00 1.14 C ATOM 0 H LEU A 46 -5.338 -9.152 6.606 1.00 0.56 H new ATOM 0 HA LEU A 46 -3.509 -7.418 5.366 1.00 0.60 H new ATOM 0 HB2 LEU A 46 -4.089 -7.773 8.321 1.00 0.74 H new ATOM 0 HB3 LEU A 46 -3.270 -6.402 7.598 1.00 0.74 H new ATOM 0 HG LEU A 46 -6.170 -7.189 7.343 1.00 0.75 H new ATOM 0 HD11 LEU A 46 -6.535 -4.908 8.211 1.00 1.28 H new ATOM 0 HD12 LEU A 46 -5.553 -5.892 9.323 1.00 1.28 H new ATOM 0 HD13 LEU A 46 -4.774 -4.666 8.295 1.00 1.28 H new ATOM 0 HD21 LEU A 46 -6.448 -5.299 5.786 1.00 1.14 H new ATOM 0 HD22 LEU A 46 -4.683 -5.070 5.759 1.00 1.14 H new ATOM 0 HD23 LEU A 46 -5.396 -6.566 5.112 1.00 1.14 H new ATOM 515 N GLU A 47 -2.246 -9.604 7.528 1.00 0.49 N ATOM 516 CA GLU A 47 -1.009 -10.241 7.973 1.00 0.48 C ATOM 517 C GLU A 47 -0.276 -10.885 6.801 1.00 0.43 C ATOM 518 O GLU A 47 0.937 -10.722 6.649 1.00 0.45 O ATOM 519 CB GLU A 47 -1.294 -11.286 9.053 1.00 0.55 C ATOM 520 CG GLU A 47 -0.039 -11.975 9.565 1.00 0.81 C ATOM 521 CD GLU A 47 -0.324 -12.976 10.662 1.00 1.06 C ATOM 522 OE1 GLU A 47 -0.755 -14.101 10.350 1.00 1.76 O ATOM 523 OE2 GLU A 47 -0.113 -12.639 11.847 1.00 1.51 O ATOM 0 H GLU A 47 -3.089 -9.953 7.984 1.00 0.49 H new ATOM 0 HA GLU A 47 -0.370 -9.467 8.398 1.00 0.48 H new ATOM 0 HB2 GLU A 47 -1.804 -10.806 9.888 1.00 0.55 H new ATOM 0 HB3 GLU A 47 -1.975 -12.037 8.652 1.00 0.55 H new ATOM 0 HG2 GLU A 47 0.455 -12.482 8.736 1.00 0.81 H new ATOM 0 HG3 GLU A 47 0.656 -11.223 9.938 1.00 0.81 H new ATOM 530 N VAL A 48 -1.021 -11.603 5.968 1.00 0.41 N ATOM 531 CA VAL A 48 -0.450 -12.235 4.784 1.00 0.42 C ATOM 532 C VAL A 48 0.151 -11.184 3.853 1.00 0.41 C ATOM 533 O VAL A 48 1.270 -11.338 3.362 1.00 0.43 O ATOM 534 CB VAL A 48 -1.509 -13.054 4.014 1.00 0.46 C ATOM 535 CG1 VAL A 48 -0.907 -13.699 2.775 1.00 0.49 C ATOM 536 CG2 VAL A 48 -2.126 -14.109 4.914 1.00 0.49 C ATOM 0 H VAL A 48 -2.021 -11.762 6.090 1.00 0.41 H new ATOM 0 HA VAL A 48 0.333 -12.912 5.124 1.00 0.42 H new ATOM 0 HB VAL A 48 -2.294 -12.369 3.692 1.00 0.46 H new ATOM 0 HG11 VAL A 48 -1.675 -14.269 2.252 1.00 0.49 H new ATOM 0 HG12 VAL A 48 -0.517 -12.924 2.114 1.00 0.49 H new ATOM 0 HG13 VAL A 48 -0.097 -14.366 3.069 1.00 0.49 H new ATOM 0 HG21 VAL A 48 -2.870 -14.676 4.354 1.00 0.49 H new ATOM 0 HG22 VAL A 48 -1.348 -14.784 5.270 1.00 0.49 H new ATOM 0 HG23 VAL A 48 -2.604 -13.626 5.766 1.00 0.49 H new ATOM 546 N ALA A 49 -0.590 -10.105 3.636 1.00 0.41 N ATOM 547 CA ALA A 49 -0.142 -9.030 2.763 1.00 0.43 C ATOM 548 C ALA A 49 1.083 -8.330 3.338 1.00 0.43 C ATOM 549 O ALA A 49 1.977 -7.931 2.596 1.00 0.48 O ATOM 550 CB ALA A 49 -1.261 -8.033 2.533 1.00 0.44 C ATOM 0 H ALA A 49 -1.507 -9.952 4.055 1.00 0.41 H new ATOM 0 HA ALA A 49 0.138 -9.469 1.805 1.00 0.43 H new ATOM 0 HB1 ALA A 49 -0.909 -7.236 1.878 1.00 0.44 H new ATOM 0 HB2 ALA A 49 -2.108 -8.537 2.068 1.00 0.44 H new ATOM 0 HB3 ALA A 49 -1.572 -7.608 3.487 1.00 0.44 H new ATOM 556 N ILE A 50 1.116 -8.189 4.659 1.00 0.40 N ATOM 557 CA ILE A 50 2.262 -7.604 5.345 1.00 0.40 C ATOM 558 C ILE A 50 3.537 -8.366 5.004 1.00 0.38 C ATOM 559 O ILE A 50 4.500 -7.789 4.498 1.00 0.41 O ATOM 560 CB ILE A 50 2.064 -7.597 6.882 1.00 0.43 C ATOM 561 CG1 ILE A 50 1.000 -6.569 7.283 1.00 0.53 C ATOM 562 CG2 ILE A 50 3.379 -7.318 7.598 1.00 0.47 C ATOM 563 CD1 ILE A 50 0.678 -6.568 8.765 1.00 0.61 C ATOM 0 H ILE A 50 0.358 -8.474 5.279 1.00 0.40 H new ATOM 0 HA ILE A 50 2.351 -6.573 5.003 1.00 0.40 H new ATOM 0 HB ILE A 50 1.718 -8.585 7.185 1.00 0.43 H new ATOM 0 HG12 ILE A 50 1.341 -5.575 6.994 1.00 0.53 H new ATOM 0 HG13 ILE A 50 0.087 -6.768 6.722 1.00 0.53 H new ATOM 0 HG21 ILE A 50 3.214 -7.318 8.675 1.00 0.47 H new ATOM 0 HG22 ILE A 50 4.104 -8.091 7.342 1.00 0.47 H new ATOM 0 HG23 ILE A 50 3.762 -6.345 7.290 1.00 0.47 H new ATOM 0 HD11 ILE A 50 -0.082 -5.815 8.972 1.00 0.61 H new ATOM 0 HD12 ILE A 50 0.305 -7.550 9.057 1.00 0.61 H new ATOM 0 HD13 ILE A 50 1.580 -6.339 9.333 1.00 0.61 H new ATOM 575 N GLN A 51 3.518 -9.671 5.247 1.00 0.39 N ATOM 576 CA GLN A 51 4.688 -10.508 5.017 1.00 0.43 C ATOM 577 C GLN A 51 5.024 -10.565 3.531 1.00 0.43 C ATOM 578 O GLN A 51 6.196 -10.611 3.144 1.00 0.47 O ATOM 579 CB GLN A 51 4.447 -11.923 5.550 1.00 0.50 C ATOM 580 CG GLN A 51 3.979 -11.965 6.998 1.00 0.78 C ATOM 581 CD GLN A 51 4.926 -11.258 7.950 1.00 1.02 C ATOM 582 OE1 GLN A 51 6.135 -11.211 7.727 1.00 1.84 O ATOM 583 NE2 GLN A 51 4.381 -10.710 9.023 1.00 1.35 N ATOM 0 H GLN A 51 2.704 -10.172 5.604 1.00 0.39 H new ATOM 0 HA GLN A 51 5.530 -10.068 5.550 1.00 0.43 H new ATOM 0 HB2 GLN A 51 3.703 -12.415 4.923 1.00 0.50 H new ATOM 0 HB3 GLN A 51 5.369 -12.497 5.460 1.00 0.50 H new ATOM 0 HG2 GLN A 51 2.993 -11.506 7.068 1.00 0.78 H new ATOM 0 HG3 GLN A 51 3.870 -13.004 7.308 1.00 0.78 H new ATOM 0 HE21 GLN A 51 3.374 -10.771 9.171 1.00 1.35 H new ATOM 0 HE22 GLN A 51 4.968 -10.226 9.702 1.00 1.35 H new ATOM 592 N CYS A 52 3.989 -10.542 2.702 1.00 0.45 N ATOM 593 CA CYS A 52 4.160 -10.634 1.264 1.00 0.53 C ATOM 594 C CYS A 52 4.784 -9.354 0.705 1.00 0.53 C ATOM 595 O CYS A 52 5.746 -9.413 -0.056 1.00 0.60 O ATOM 596 CB CYS A 52 2.818 -10.913 0.586 1.00 0.59 C ATOM 597 SG CYS A 52 2.963 -11.505 -1.115 1.00 0.69 S ATOM 0 H CYS A 52 3.019 -10.460 3.006 1.00 0.45 H new ATOM 0 HA CYS A 52 4.838 -11.462 1.054 1.00 0.53 H new ATOM 0 HB2 CYS A 52 2.273 -11.653 1.172 1.00 0.59 H new ATOM 0 HB3 CYS A 52 2.222 -10.000 0.593 1.00 0.59 H new ATOM 0 HG CYS A 52 2.942 -10.493 -1.930 1.00 0.69 H new ATOM 603 N LEU A 53 4.248 -8.199 1.094 1.00 0.50 N ATOM 604 CA LEU A 53 4.767 -6.919 0.615 1.00 0.54 C ATOM 605 C LEU A 53 6.128 -6.620 1.220 1.00 0.51 C ATOM 606 O LEU A 53 6.970 -5.985 0.584 1.00 0.58 O ATOM 607 CB LEU A 53 3.799 -5.775 0.913 1.00 0.63 C ATOM 608 CG LEU A 53 2.580 -5.693 -0.007 1.00 0.54 C ATOM 609 CD1 LEU A 53 1.692 -4.526 0.392 1.00 0.76 C ATOM 610 CD2 LEU A 53 3.014 -5.561 -1.462 1.00 0.61 C ATOM 0 H LEU A 53 3.459 -8.123 1.736 1.00 0.50 H new ATOM 0 HA LEU A 53 4.876 -7.001 -0.466 1.00 0.54 H new ATOM 0 HB2 LEU A 53 3.451 -5.874 1.941 1.00 0.63 H new ATOM 0 HB3 LEU A 53 4.345 -4.834 0.850 1.00 0.63 H new ATOM 0 HG LEU A 53 2.007 -6.615 0.097 1.00 0.54 H new ATOM 0 HD11 LEU A 53 0.829 -4.482 -0.272 1.00 0.76 H new ATOM 0 HD12 LEU A 53 1.353 -4.662 1.419 1.00 0.76 H new ATOM 0 HD13 LEU A 53 2.257 -3.597 0.316 1.00 0.76 H new ATOM 0 HD21 LEU A 53 2.133 -5.504 -2.101 1.00 0.61 H new ATOM 0 HD22 LEU A 53 3.609 -4.656 -1.583 1.00 0.61 H new ATOM 0 HD23 LEU A 53 3.611 -6.428 -1.744 1.00 0.61 H new ATOM 622 N GLU A 54 6.339 -7.076 2.447 1.00 0.47 N ATOM 623 CA GLU A 54 7.640 -6.958 3.087 1.00 0.51 C ATOM 624 C GLU A 54 8.694 -7.633 2.216 1.00 0.56 C ATOM 625 O GLU A 54 9.744 -7.059 1.925 1.00 0.65 O ATOM 626 CB GLU A 54 7.606 -7.598 4.476 1.00 0.56 C ATOM 627 CG GLU A 54 8.882 -7.400 5.271 1.00 0.73 C ATOM 628 CD GLU A 54 8.834 -8.071 6.623 1.00 1.05 C ATOM 629 OE1 GLU A 54 9.100 -9.286 6.694 1.00 1.62 O ATOM 630 OE2 GLU A 54 8.543 -7.385 7.625 1.00 1.65 O ATOM 0 H GLU A 54 5.626 -7.530 3.018 1.00 0.47 H new ATOM 0 HA GLU A 54 7.892 -5.904 3.202 1.00 0.51 H new ATOM 0 HB2 GLU A 54 6.770 -7.181 5.038 1.00 0.56 H new ATOM 0 HB3 GLU A 54 7.417 -8.666 4.369 1.00 0.56 H new ATOM 0 HG2 GLU A 54 9.724 -7.795 4.703 1.00 0.73 H new ATOM 0 HG3 GLU A 54 9.060 -6.333 5.405 1.00 0.73 H new ATOM 637 N THR A 55 8.375 -8.839 1.771 1.00 0.61 N ATOM 638 CA THR A 55 9.245 -9.594 0.886 1.00 0.78 C ATOM 639 C THR A 55 9.291 -8.957 -0.505 1.00 0.83 C ATOM 640 O THR A 55 10.331 -8.954 -1.166 1.00 0.98 O ATOM 641 CB THR A 55 8.754 -11.052 0.775 1.00 0.95 C ATOM 642 OG1 THR A 55 8.600 -11.609 2.088 1.00 1.00 O ATOM 643 CG2 THR A 55 9.724 -11.904 -0.030 1.00 1.16 C ATOM 0 H THR A 55 7.508 -9.319 2.013 1.00 0.61 H new ATOM 0 HA THR A 55 10.250 -9.583 1.307 1.00 0.78 H new ATOM 0 HB THR A 55 7.795 -11.049 0.257 1.00 0.95 H new ATOM 0 HG1 THR A 55 7.753 -11.304 2.475 1.00 1.00 H new ATOM 0 HG21 THR A 55 9.348 -12.926 -0.089 1.00 1.16 H new ATOM 0 HG22 THR A 55 9.820 -11.494 -1.035 1.00 1.16 H new ATOM 0 HG23 THR A 55 10.699 -11.904 0.457 1.00 1.16 H new ATOM 651 N ALA A 56 8.159 -8.405 -0.932 1.00 0.77 N ATOM 652 CA ALA A 56 8.035 -7.801 -2.254 1.00 0.88 C ATOM 653 C ALA A 56 8.963 -6.607 -2.427 1.00 0.88 C ATOM 654 O ALA A 56 9.728 -6.538 -3.380 1.00 1.15 O ATOM 655 CB ALA A 56 6.599 -7.375 -2.506 1.00 0.90 C ATOM 0 H ALA A 56 7.306 -8.364 -0.374 1.00 0.77 H new ATOM 0 HA ALA A 56 8.326 -8.558 -2.983 1.00 0.88 H new ATOM 0 HB1 ALA A 56 6.521 -6.926 -3.496 1.00 0.90 H new ATOM 0 HB2 ALA A 56 5.946 -8.246 -2.450 1.00 0.90 H new ATOM 0 HB3 ALA A 56 6.298 -6.647 -1.753 1.00 0.90 H new ATOM 661 N PHE A 57 8.898 -5.664 -1.507 1.00 0.76 N ATOM 662 CA PHE A 57 9.716 -4.474 -1.600 1.00 1.05 C ATOM 663 C PHE A 57 11.121 -4.728 -1.057 1.00 1.56 C ATOM 664 O PHE A 57 12.003 -3.873 -1.154 1.00 2.05 O ATOM 665 CB PHE A 57 9.054 -3.333 -0.842 1.00 1.04 C ATOM 666 CG PHE A 57 7.786 -2.827 -1.475 1.00 0.93 C ATOM 667 CD1 PHE A 57 7.835 -1.964 -2.556 1.00 1.50 C ATOM 668 CD2 PHE A 57 6.547 -3.194 -0.975 1.00 1.47 C ATOM 669 CE1 PHE A 57 6.673 -1.477 -3.126 1.00 1.50 C ATOM 670 CE2 PHE A 57 5.383 -2.705 -1.535 1.00 1.46 C ATOM 671 CZ PHE A 57 5.445 -1.846 -2.612 1.00 0.92 C ATOM 0 H PHE A 57 8.289 -5.700 -0.690 1.00 0.76 H new ATOM 0 HA PHE A 57 9.808 -4.201 -2.651 1.00 1.05 H new ATOM 0 HB2 PHE A 57 8.833 -3.665 0.172 1.00 1.04 H new ATOM 0 HB3 PHE A 57 9.761 -2.507 -0.760 1.00 1.04 H new ATOM 0 HD1 PHE A 57 8.792 -1.667 -2.959 1.00 1.50 H new ATOM 0 HD2 PHE A 57 6.491 -3.872 -0.136 1.00 1.47 H new ATOM 0 HE1 PHE A 57 6.726 -0.808 -3.973 1.00 1.50 H new ATOM 0 HE2 PHE A 57 4.425 -2.995 -1.130 1.00 1.46 H new ATOM 0 HZ PHE A 57 4.536 -1.463 -3.052 1.00 0.92 H new ATOM 681 N GLY A 58 11.319 -5.915 -0.492 1.00 1.71 N ATOM 682 CA GLY A 58 12.609 -6.272 0.067 1.00 2.29 C ATOM 683 C GLY A 58 12.912 -5.500 1.331 1.00 2.05 C ATOM 684 O GLY A 58 14.072 -5.294 1.682 1.00 2.60 O ATOM 0 H GLY A 58 10.605 -6.639 -0.412 1.00 1.71 H new ATOM 0 HA2 GLY A 58 12.628 -7.341 0.282 1.00 2.29 H new ATOM 0 HA3 GLY A 58 13.389 -6.081 -0.670 1.00 2.29 H new ATOM 688 N VAL A 59 11.864 -5.076 2.018 1.00 1.35 N ATOM 689 CA VAL A 59 12.017 -4.273 3.218 1.00 1.13 C ATOM 690 C VAL A 59 11.983 -5.148 4.460 1.00 1.04 C ATOM 691 O VAL A 59 11.545 -6.296 4.414 1.00 1.22 O ATOM 692 CB VAL A 59 10.927 -3.186 3.326 1.00 0.93 C ATOM 693 CG1 VAL A 59 11.035 -2.208 2.171 1.00 1.23 C ATOM 694 CG2 VAL A 59 9.539 -3.804 3.367 1.00 1.00 C ATOM 0 H VAL A 59 10.897 -5.276 1.764 1.00 1.35 H new ATOM 0 HA VAL A 59 12.986 -3.780 3.147 1.00 1.13 H new ATOM 0 HB VAL A 59 11.084 -2.645 4.259 1.00 0.93 H new ATOM 0 HG11 VAL A 59 10.259 -1.449 2.263 1.00 1.23 H new ATOM 0 HG12 VAL A 59 12.014 -1.730 2.189 1.00 1.23 H new ATOM 0 HG13 VAL A 59 10.910 -2.742 1.229 1.00 1.23 H new ATOM 0 HG21 VAL A 59 8.791 -3.015 3.443 1.00 1.00 H new ATOM 0 HG22 VAL A 59 9.369 -4.378 2.456 1.00 1.00 H new ATOM 0 HG23 VAL A 59 9.460 -4.463 4.231 1.00 1.00 H new ATOM 704 N THR A 60 12.468 -4.602 5.556 1.00 1.18 N ATOM 705 CA THR A 60 12.486 -5.299 6.825 1.00 1.30 C ATOM 706 C THR A 60 12.116 -4.341 7.950 1.00 1.16 C ATOM 707 O THR A 60 11.725 -3.200 7.691 1.00 1.15 O ATOM 708 CB THR A 60 13.879 -5.893 7.105 1.00 1.94 C ATOM 709 OG1 THR A 60 14.884 -4.889 6.896 1.00 2.24 O ATOM 710 CG2 THR A 60 14.159 -7.094 6.212 1.00 2.38 C ATOM 0 H THR A 60 12.861 -3.662 5.592 1.00 1.18 H new ATOM 0 HA THR A 60 11.759 -6.110 6.776 1.00 1.30 H new ATOM 0 HB THR A 60 13.902 -6.229 8.142 1.00 1.94 H new ATOM 0 HG1 THR A 60 14.527 -4.185 6.315 1.00 2.24 H new ATOM 0 HG21 THR A 60 15.150 -7.490 6.435 1.00 2.38 H new ATOM 0 HG22 THR A 60 13.411 -7.865 6.394 1.00 2.38 H new ATOM 0 HG23 THR A 60 14.117 -6.788 5.167 1.00 2.38 H new ATOM 718 N VAL A 61 12.247 -4.783 9.192 1.00 1.41 N ATOM 719 CA VAL A 61 12.007 -3.904 10.326 1.00 1.59 C ATOM 720 C VAL A 61 13.108 -2.842 10.409 1.00 1.83 C ATOM 721 O VAL A 61 12.918 -1.775 10.991 1.00 2.11 O ATOM 722 CB VAL A 61 11.914 -4.696 11.652 1.00 1.81 C ATOM 723 CG1 VAL A 61 13.252 -5.329 12.010 1.00 2.21 C ATOM 724 CG2 VAL A 61 11.414 -3.806 12.782 1.00 1.95 C ATOM 0 H VAL A 61 12.515 -5.736 9.439 1.00 1.41 H new ATOM 0 HA VAL A 61 11.047 -3.411 10.173 1.00 1.59 H new ATOM 0 HB VAL A 61 11.192 -5.501 11.510 1.00 1.81 H new ATOM 0 HG11 VAL A 61 13.156 -5.879 12.946 1.00 2.21 H new ATOM 0 HG12 VAL A 61 13.555 -6.013 11.217 1.00 2.21 H new ATOM 0 HG13 VAL A 61 14.005 -4.549 12.123 1.00 2.21 H new ATOM 0 HG21 VAL A 61 11.357 -4.385 13.704 1.00 1.95 H new ATOM 0 HG22 VAL A 61 12.102 -2.972 12.920 1.00 1.95 H new ATOM 0 HG23 VAL A 61 10.424 -3.423 12.533 1.00 1.95 H new ATOM 734 N GLU A 62 14.248 -3.129 9.783 1.00 1.89 N ATOM 735 CA GLU A 62 15.339 -2.165 9.694 1.00 2.16 C ATOM 736 C GLU A 62 14.903 -0.964 8.865 1.00 1.64 C ATOM 737 O GLU A 62 15.241 0.182 9.166 1.00 1.65 O ATOM 738 CB GLU A 62 16.569 -2.815 9.063 1.00 2.87 C ATOM 739 CG GLU A 62 17.116 -3.982 9.865 1.00 3.13 C ATOM 740 CD GLU A 62 18.349 -4.590 9.236 1.00 3.57 C ATOM 741 OE1 GLU A 62 19.438 -3.995 9.361 1.00 4.01 O ATOM 742 OE2 GLU A 62 18.238 -5.659 8.610 1.00 3.98 O ATOM 0 H GLU A 62 14.439 -4.023 9.330 1.00 1.89 H new ATOM 0 HA GLU A 62 15.596 -1.831 10.699 1.00 2.16 H new ATOM 0 HB2 GLU A 62 16.314 -3.161 8.061 1.00 2.87 H new ATOM 0 HB3 GLU A 62 17.350 -2.063 8.951 1.00 2.87 H new ATOM 0 HG2 GLU A 62 17.355 -3.645 10.874 1.00 3.13 H new ATOM 0 HG3 GLU A 62 16.345 -4.747 9.959 1.00 3.13 H new ATOM 749 N ASP A 63 14.124 -1.240 7.828 1.00 1.38 N ATOM 750 CA ASP A 63 13.572 -0.196 6.981 1.00 1.61 C ATOM 751 C ASP A 63 12.484 0.557 7.734 1.00 1.60 C ATOM 752 O ASP A 63 12.088 1.652 7.352 1.00 1.95 O ATOM 753 CB ASP A 63 13.009 -0.798 5.692 1.00 1.89 C ATOM 754 CG ASP A 63 14.048 -1.586 4.919 1.00 2.88 C ATOM 755 OD1 ASP A 63 14.309 -2.749 5.292 1.00 3.62 O ATOM 756 OD2 ASP A 63 14.606 -1.054 3.938 1.00 3.35 O ATOM 0 H ASP A 63 13.860 -2.186 7.553 1.00 1.38 H new ATOM 0 HA ASP A 63 14.366 0.502 6.715 1.00 1.61 H new ATOM 0 HB2 ASP A 63 12.170 -1.450 5.935 1.00 1.89 H new ATOM 0 HB3 ASP A 63 12.620 0.001 5.061 1.00 1.89 H new ATOM 761 N SER A 64 12.006 -0.047 8.812 1.00 1.54 N ATOM 762 CA SER A 64 11.039 0.596 9.682 1.00 1.81 C ATOM 763 C SER A 64 11.760 1.392 10.768 1.00 1.74 C ATOM 764 O SER A 64 11.151 2.206 11.460 1.00 1.93 O ATOM 765 CB SER A 64 10.109 -0.446 10.310 1.00 2.41 C ATOM 766 OG SER A 64 9.089 0.172 11.077 1.00 2.91 O ATOM 0 H SER A 64 12.275 -0.986 9.104 1.00 1.54 H new ATOM 0 HA SER A 64 10.434 1.282 9.088 1.00 1.81 H new ATOM 0 HB2 SER A 64 9.659 -1.055 9.526 1.00 2.41 H new ATOM 0 HB3 SER A 64 10.687 -1.118 10.944 1.00 2.41 H new ATOM 0 HG SER A 64 9.423 1.017 11.445 1.00 2.91 H new ATOM 772 N ASP A 65 13.057 1.146 10.913 1.00 1.69 N ATOM 773 CA ASP A 65 13.878 1.875 11.876 1.00 2.03 C ATOM 774 C ASP A 65 14.160 3.276 11.359 1.00 1.90 C ATOM 775 O ASP A 65 14.207 4.239 12.125 1.00 2.28 O ATOM 776 CB ASP A 65 15.193 1.137 12.139 1.00 2.26 C ATOM 777 CG ASP A 65 16.119 1.906 13.059 1.00 2.89 C ATOM 778 OD1 ASP A 65 15.940 1.825 14.291 1.00 3.46 O ATOM 779 OD2 ASP A 65 17.031 2.595 12.555 1.00 3.35 O ATOM 0 H ASP A 65 13.565 0.445 10.374 1.00 1.69 H new ATOM 0 HA ASP A 65 13.330 1.942 12.816 1.00 2.03 H new ATOM 0 HB2 ASP A 65 14.977 0.163 12.578 1.00 2.26 H new ATOM 0 HB3 ASP A 65 15.699 0.954 11.191 1.00 2.26 H new ATOM 784 N LEU A 66 14.311 3.384 10.044 1.00 1.52 N ATOM 785 CA LEU A 66 14.500 4.678 9.390 1.00 1.61 C ATOM 786 C LEU A 66 13.157 5.394 9.218 1.00 1.45 C ATOM 787 O LEU A 66 12.982 6.205 8.308 1.00 1.72 O ATOM 788 CB LEU A 66 15.213 4.495 8.036 1.00 1.77 C ATOM 789 CG LEU A 66 14.570 3.504 7.054 1.00 1.59 C ATOM 790 CD1 LEU A 66 13.588 4.204 6.125 1.00 1.87 C ATOM 791 CD2 LEU A 66 15.641 2.786 6.248 1.00 1.57 C ATOM 0 H LEU A 66 14.306 2.589 9.405 1.00 1.52 H new ATOM 0 HA LEU A 66 15.132 5.302 10.022 1.00 1.61 H new ATOM 0 HB2 LEU A 66 15.275 5.468 7.548 1.00 1.77 H new ATOM 0 HB3 LEU A 66 16.235 4.170 8.229 1.00 1.77 H new ATOM 0 HG LEU A 66 14.015 2.769 7.636 1.00 1.59 H new ATOM 0 HD11 LEU A 66 13.150 3.475 5.443 1.00 1.87 H new ATOM 0 HD12 LEU A 66 12.798 4.669 6.714 1.00 1.87 H new ATOM 0 HD13 LEU A 66 14.112 4.969 5.552 1.00 1.87 H new ATOM 0 HD21 LEU A 66 15.169 2.087 5.557 1.00 1.57 H new ATOM 0 HD22 LEU A 66 16.223 3.516 5.685 1.00 1.57 H new ATOM 0 HD23 LEU A 66 16.299 2.239 6.923 1.00 1.57 H new ATOM 803 N ALA A 67 12.232 5.092 10.126 1.00 1.30 N ATOM 804 CA ALA A 67 10.867 5.600 10.077 1.00 1.26 C ATOM 805 C ALA A 67 10.807 7.110 9.887 1.00 1.27 C ATOM 806 O ALA A 67 11.534 7.869 10.531 1.00 1.53 O ATOM 807 CB ALA A 67 10.127 5.208 11.342 1.00 1.48 C ATOM 0 H ALA A 67 12.413 4.482 10.923 1.00 1.30 H new ATOM 0 HA ALA A 67 10.388 5.150 9.208 1.00 1.26 H new ATOM 0 HB1 ALA A 67 9.107 5.590 11.300 1.00 1.48 H new ATOM 0 HB2 ALA A 67 10.104 4.122 11.428 1.00 1.48 H new ATOM 0 HB3 ALA A 67 10.637 5.630 12.208 1.00 1.48 H new ATOM 813 N LEU A 68 9.934 7.521 8.982 1.00 1.15 N ATOM 814 CA LEU A 68 9.688 8.927 8.712 1.00 1.28 C ATOM 815 C LEU A 68 8.930 9.560 9.881 1.00 1.55 C ATOM 816 O LEU A 68 8.333 8.833 10.681 1.00 1.55 O ATOM 817 CB LEU A 68 8.886 9.065 7.410 1.00 1.24 C ATOM 818 CG LEU A 68 9.562 8.484 6.165 1.00 1.18 C ATOM 819 CD1 LEU A 68 8.644 8.584 4.957 1.00 1.20 C ATOM 820 CD2 LEU A 68 10.878 9.194 5.894 1.00 1.18 C ATOM 0 H LEU A 68 9.374 6.886 8.412 1.00 1.15 H new ATOM 0 HA LEU A 68 10.639 9.447 8.598 1.00 1.28 H new ATOM 0 HB2 LEU A 68 7.921 8.575 7.542 1.00 1.24 H new ATOM 0 HB3 LEU A 68 8.686 10.122 7.235 1.00 1.24 H new ATOM 0 HG LEU A 68 9.769 7.430 6.350 1.00 1.18 H new ATOM 0 HD11 LEU A 68 9.145 8.165 4.084 1.00 1.20 H new ATOM 0 HD12 LEU A 68 7.726 8.028 5.150 1.00 1.20 H new ATOM 0 HD13 LEU A 68 8.402 9.630 4.770 1.00 1.20 H new ATOM 0 HD21 LEU A 68 11.345 8.768 5.006 1.00 1.18 H new ATOM 0 HD22 LEU A 68 10.692 10.256 5.733 1.00 1.18 H new ATOM 0 HD23 LEU A 68 11.542 9.068 6.749 1.00 1.18 H new ATOM 832 N PRO A 69 8.957 10.905 10.012 1.00 1.93 N ATOM 833 CA PRO A 69 8.305 11.619 11.121 1.00 2.35 C ATOM 834 C PRO A 69 6.914 11.079 11.459 1.00 2.24 C ATOM 835 O PRO A 69 6.563 10.933 12.632 1.00 2.61 O ATOM 836 CB PRO A 69 8.213 13.047 10.596 1.00 2.74 C ATOM 837 CG PRO A 69 9.411 13.194 9.726 1.00 2.56 C ATOM 838 CD PRO A 69 9.641 11.843 9.095 1.00 2.06 C ATOM 0 HA PRO A 69 8.863 11.514 12.051 1.00 2.35 H new ATOM 0 HB2 PRO A 69 7.292 13.207 10.036 1.00 2.74 H new ATOM 0 HB3 PRO A 69 8.221 13.772 11.410 1.00 2.74 H new ATOM 0 HG2 PRO A 69 9.248 13.957 8.965 1.00 2.56 H new ATOM 0 HG3 PRO A 69 10.279 13.505 10.308 1.00 2.56 H new ATOM 0 HD2 PRO A 69 9.224 11.795 8.089 1.00 2.06 H new ATOM 0 HD3 PRO A 69 10.704 11.617 9.010 1.00 2.06 H new ATOM 846 N GLN A 70 6.133 10.773 10.433 1.00 1.83 N ATOM 847 CA GLN A 70 4.808 10.210 10.629 1.00 1.81 C ATOM 848 C GLN A 70 4.592 9.036 9.688 1.00 1.42 C ATOM 849 O GLN A 70 5.308 8.883 8.698 1.00 1.30 O ATOM 850 CB GLN A 70 3.734 11.273 10.399 1.00 1.92 C ATOM 851 CG GLN A 70 3.652 11.776 8.968 1.00 1.65 C ATOM 852 CD GLN A 70 2.602 12.855 8.807 1.00 2.17 C ATOM 853 OE1 GLN A 70 1.434 12.572 8.544 1.00 2.65 O ATOM 854 NE2 GLN A 70 3.009 14.105 8.965 1.00 2.75 N ATOM 0 H GLN A 70 6.396 10.906 9.456 1.00 1.83 H new ATOM 0 HA GLN A 70 4.732 9.857 11.657 1.00 1.81 H new ATOM 0 HB2 GLN A 70 2.765 10.862 10.684 1.00 1.92 H new ATOM 0 HB3 GLN A 70 3.928 12.119 11.059 1.00 1.92 H new ATOM 0 HG2 GLN A 70 4.623 12.167 8.665 1.00 1.65 H new ATOM 0 HG3 GLN A 70 3.422 10.943 8.303 1.00 1.65 H new ATOM 0 HE21 GLN A 70 3.986 14.299 9.183 1.00 2.75 H new ATOM 0 HE22 GLN A 70 2.345 14.873 8.869 1.00 2.75 H new ATOM 863 N THR A 71 3.618 8.199 10.011 1.00 1.36 N ATOM 864 CA THR A 71 3.261 7.085 9.154 1.00 1.13 C ATOM 865 C THR A 71 2.633 7.589 7.862 1.00 0.86 C ATOM 866 O THR A 71 1.864 8.549 7.856 1.00 0.83 O ATOM 867 CB THR A 71 2.294 6.123 9.866 1.00 1.23 C ATOM 868 OG1 THR A 71 1.375 6.861 10.684 1.00 1.53 O ATOM 869 CG2 THR A 71 3.058 5.118 10.715 1.00 1.55 C ATOM 0 H THR A 71 3.061 8.273 10.863 1.00 1.36 H new ATOM 0 HA THR A 71 4.175 6.540 8.918 1.00 1.13 H new ATOM 0 HB THR A 71 1.735 5.576 9.107 1.00 1.23 H new ATOM 0 HG1 THR A 71 0.763 6.240 11.131 1.00 1.53 H new ATOM 0 HG21 THR A 71 2.353 4.449 11.209 1.00 1.55 H new ATOM 0 HG22 THR A 71 3.726 4.537 10.079 1.00 1.55 H new ATOM 0 HG23 THR A 71 3.643 5.647 11.467 1.00 1.55 H new ATOM 877 N LEU A 72 2.972 6.920 6.772 1.00 0.80 N ATOM 878 CA LEU A 72 2.596 7.367 5.439 1.00 0.65 C ATOM 879 C LEU A 72 1.109 7.169 5.128 1.00 0.65 C ATOM 880 O LEU A 72 0.506 8.050 4.528 1.00 0.66 O ATOM 881 CB LEU A 72 3.470 6.682 4.390 1.00 0.78 C ATOM 882 CG LEU A 72 4.951 7.054 4.452 1.00 0.97 C ATOM 883 CD1 LEU A 72 5.715 6.391 3.319 1.00 1.47 C ATOM 884 CD2 LEU A 72 5.120 8.566 4.411 1.00 1.79 C ATOM 0 H LEU A 72 3.513 6.055 6.785 1.00 0.80 H new ATOM 0 HA LEU A 72 2.766 8.443 5.407 1.00 0.65 H new ATOM 0 HB2 LEU A 72 3.375 5.602 4.507 1.00 0.78 H new ATOM 0 HB3 LEU A 72 3.088 6.931 3.400 1.00 0.78 H new ATOM 0 HG LEU A 72 5.362 6.691 5.394 1.00 0.97 H new ATOM 0 HD11 LEU A 72 6.768 6.667 3.379 1.00 1.47 H new ATOM 0 HD12 LEU A 72 5.619 5.308 3.400 1.00 1.47 H new ATOM 0 HD13 LEU A 72 5.307 6.721 2.363 1.00 1.47 H new ATOM 0 HD21 LEU A 72 6.180 8.815 4.456 1.00 1.79 H new ATOM 0 HD22 LEU A 72 4.695 8.955 3.486 1.00 1.79 H new ATOM 0 HD23 LEU A 72 4.606 9.013 5.262 1.00 1.79 H new ATOM 896 N PRO A 73 0.484 6.025 5.490 1.00 0.75 N ATOM 897 CA PRO A 73 -0.968 5.857 5.322 1.00 0.84 C ATOM 898 C PRO A 73 -1.756 6.995 5.968 1.00 0.80 C ATOM 899 O PRO A 73 -2.815 7.379 5.481 1.00 0.82 O ATOM 900 CB PRO A 73 -1.256 4.532 6.021 1.00 1.03 C ATOM 901 CG PRO A 73 0.019 3.776 5.909 1.00 1.07 C ATOM 902 CD PRO A 73 1.111 4.801 6.027 1.00 0.84 C ATOM 0 HA PRO A 73 -1.265 5.867 4.273 1.00 0.84 H new ATOM 0 HB2 PRO A 73 -1.538 4.684 7.063 1.00 1.03 H new ATOM 0 HB3 PRO A 73 -2.078 4.000 5.542 1.00 1.03 H new ATOM 0 HG2 PRO A 73 0.100 3.026 6.696 1.00 1.07 H new ATOM 0 HG3 PRO A 73 0.079 3.248 4.957 1.00 1.07 H new ATOM 0 HD2 PRO A 73 1.430 4.932 7.061 1.00 0.84 H new ATOM 0 HD3 PRO A 73 1.994 4.516 5.455 1.00 0.84 H new ATOM 910 N GLU A 74 -1.212 7.539 7.054 1.00 0.78 N ATOM 911 CA GLU A 74 -1.800 8.696 7.720 1.00 0.78 C ATOM 912 C GLU A 74 -1.795 9.892 6.771 1.00 0.64 C ATOM 913 O GLU A 74 -2.821 10.549 6.563 1.00 0.64 O ATOM 914 CB GLU A 74 -1.006 9.012 8.989 1.00 0.87 C ATOM 915 CG GLU A 74 -1.584 10.137 9.829 1.00 1.22 C ATOM 916 CD GLU A 74 -0.778 10.384 11.088 1.00 1.48 C ATOM 917 OE1 GLU A 74 -0.066 9.460 11.535 1.00 2.28 O ATOM 918 OE2 GLU A 74 -0.864 11.496 11.649 1.00 1.67 O ATOM 0 H GLU A 74 -0.359 7.193 7.493 1.00 0.78 H new ATOM 0 HA GLU A 74 -2.831 8.477 7.997 1.00 0.78 H new ATOM 0 HB2 GLU A 74 -0.949 8.111 9.600 1.00 0.87 H new ATOM 0 HB3 GLU A 74 0.015 9.272 8.709 1.00 0.87 H new ATOM 0 HG2 GLU A 74 -1.617 11.051 9.236 1.00 1.22 H new ATOM 0 HG3 GLU A 74 -2.612 9.895 10.099 1.00 1.22 H new ATOM 925 N ILE A 75 -0.626 10.150 6.185 1.00 0.58 N ATOM 926 CA ILE A 75 -0.478 11.160 5.142 1.00 0.53 C ATOM 927 C ILE A 75 -1.480 10.917 4.026 1.00 0.49 C ATOM 928 O ILE A 75 -2.147 11.838 3.555 1.00 0.53 O ATOM 929 CB ILE A 75 0.947 11.132 4.538 1.00 0.60 C ATOM 930 CG1 ILE A 75 1.972 11.617 5.561 1.00 0.73 C ATOM 931 CG2 ILE A 75 1.025 11.960 3.256 1.00 0.68 C ATOM 932 CD1 ILE A 75 3.390 11.621 5.039 1.00 1.38 C ATOM 0 H ILE A 75 0.241 9.666 6.420 1.00 0.58 H new ATOM 0 HA ILE A 75 -0.656 12.133 5.600 1.00 0.53 H new ATOM 0 HB ILE A 75 1.180 10.100 4.278 1.00 0.60 H new ATOM 0 HG12 ILE A 75 1.707 12.626 5.878 1.00 0.73 H new ATOM 0 HG13 ILE A 75 1.920 10.981 6.445 1.00 0.73 H new ATOM 0 HG21 ILE A 75 2.039 11.919 2.858 1.00 0.68 H new ATOM 0 HG22 ILE A 75 0.329 11.557 2.520 1.00 0.68 H new ATOM 0 HG23 ILE A 75 0.762 12.995 3.475 1.00 0.68 H new ATOM 0 HD11 ILE A 75 4.064 11.977 5.819 1.00 1.38 H new ATOM 0 HD12 ILE A 75 3.673 10.609 4.748 1.00 1.38 H new ATOM 0 HD13 ILE A 75 3.457 12.280 4.173 1.00 1.38 H new ATOM 944 N PHE A 76 -1.594 9.661 3.624 1.00 0.50 N ATOM 945 CA PHE A 76 -2.420 9.307 2.491 1.00 0.56 C ATOM 946 C PHE A 76 -3.892 9.536 2.788 1.00 0.60 C ATOM 947 O PHE A 76 -4.637 9.936 1.908 1.00 0.72 O ATOM 948 CB PHE A 76 -2.192 7.853 2.082 1.00 0.65 C ATOM 949 CG PHE A 76 -1.925 7.659 0.609 1.00 2.06 C ATOM 950 CD1 PHE A 76 -1.930 8.690 -0.335 1.00 2.34 C ATOM 951 CD2 PHE A 76 -1.645 6.378 0.173 1.00 2.12 C ATOM 952 CE1 PHE A 76 -1.660 8.430 -1.661 1.00 2.35 C ATOM 953 CE2 PHE A 76 -1.378 6.120 -1.155 1.00 2.24 C ATOM 954 CZ PHE A 76 -1.387 7.104 -2.068 1.00 2.36 C ATOM 0 H PHE A 76 -1.123 8.873 4.068 1.00 0.50 H new ATOM 0 HA PHE A 76 -2.131 9.954 1.663 1.00 0.56 H new ATOM 0 HB2 PHE A 76 -1.349 7.456 2.648 1.00 0.65 H new ATOM 0 HB3 PHE A 76 -3.068 7.267 2.361 1.00 0.65 H new ATOM 0 HD1 PHE A 76 -2.148 9.700 -0.022 1.00 2.34 H new ATOM 0 HD2 PHE A 76 -1.635 5.565 0.884 1.00 2.12 H new ATOM 0 HE1 PHE A 76 -1.657 9.233 -2.383 1.00 2.35 H new ATOM 0 HE2 PHE A 76 -1.158 5.109 -1.466 1.00 2.24 H new ATOM 0 HZ PHE A 76 -1.187 6.884 -3.106 1.00 2.36 H new ATOM 964 N GLU A 77 -4.316 9.301 4.022 1.00 0.63 N ATOM 965 CA GLU A 77 -5.709 9.534 4.383 1.00 0.73 C ATOM 966 C GLU A 77 -6.054 11.014 4.249 1.00 0.69 C ATOM 967 O GLU A 77 -7.208 11.376 4.023 1.00 0.80 O ATOM 968 CB GLU A 77 -6.016 9.036 5.797 1.00 0.90 C ATOM 969 CG GLU A 77 -5.863 7.531 5.954 1.00 1.56 C ATOM 970 CD GLU A 77 -6.523 7.000 7.209 1.00 1.94 C ATOM 971 OE1 GLU A 77 -6.051 7.314 8.321 1.00 2.41 O ATOM 972 OE2 GLU A 77 -7.518 6.255 7.092 1.00 2.52 O ATOM 0 H GLU A 77 -3.727 8.955 4.780 1.00 0.63 H new ATOM 0 HA GLU A 77 -6.330 8.964 3.692 1.00 0.73 H new ATOM 0 HB2 GLU A 77 -5.353 9.537 6.502 1.00 0.90 H new ATOM 0 HB3 GLU A 77 -7.035 9.320 6.061 1.00 0.90 H new ATOM 0 HG2 GLU A 77 -6.294 7.034 5.085 1.00 1.56 H new ATOM 0 HG3 GLU A 77 -4.803 7.278 5.972 1.00 1.56 H new ATOM 979 N ALA A 78 -5.045 11.868 4.369 1.00 0.61 N ATOM 980 CA ALA A 78 -5.238 13.300 4.189 1.00 0.62 C ATOM 981 C ALA A 78 -5.088 13.704 2.720 1.00 0.60 C ATOM 982 O ALA A 78 -5.667 14.698 2.282 1.00 0.65 O ATOM 983 CB ALA A 78 -4.260 14.076 5.055 1.00 0.64 C ATOM 0 H ALA A 78 -4.088 11.594 4.590 1.00 0.61 H new ATOM 0 HA ALA A 78 -6.255 13.543 4.498 1.00 0.62 H new ATOM 0 HB1 ALA A 78 -4.415 15.145 4.911 1.00 0.64 H new ATOM 0 HB2 ALA A 78 -4.423 13.824 6.103 1.00 0.64 H new ATOM 0 HB3 ALA A 78 -3.239 13.816 4.774 1.00 0.64 H new ATOM 989 N ALA A 79 -4.310 12.937 1.966 1.00 0.65 N ATOM 990 CA ALA A 79 -4.062 13.240 0.555 1.00 0.75 C ATOM 991 C ALA A 79 -5.043 12.513 -0.362 1.00 0.86 C ATOM 992 O ALA A 79 -5.821 13.141 -1.082 1.00 0.99 O ATOM 993 CB ALA A 79 -2.638 12.858 0.176 1.00 0.83 C ATOM 0 H ALA A 79 -3.838 12.099 2.305 1.00 0.65 H new ATOM 0 HA ALA A 79 -4.204 14.313 0.424 1.00 0.75 H new ATOM 0 HB1 ALA A 79 -2.467 13.089 -0.876 1.00 0.83 H new ATOM 0 HB2 ALA A 79 -1.935 13.421 0.790 1.00 0.83 H new ATOM 0 HB3 ALA A 79 -2.491 11.791 0.342 1.00 0.83 H new ATOM 999 N ALA A 80 -5.006 11.188 -0.304 1.00 0.91 N ATOM 1000 CA ALA A 80 -5.729 10.331 -1.234 1.00 1.12 C ATOM 1001 C ALA A 80 -7.234 10.581 -1.193 1.00 1.27 C ATOM 1002 O ALA A 80 -7.819 11.015 -2.185 1.00 1.56 O ATOM 1003 CB ALA A 80 -5.409 8.870 -0.940 1.00 1.25 C ATOM 0 H ALA A 80 -4.469 10.674 0.395 1.00 0.91 H new ATOM 0 HA ALA A 80 -5.400 10.574 -2.244 1.00 1.12 H new ATOM 0 HB1 ALA A 80 -5.951 8.231 -1.637 1.00 1.25 H new ATOM 0 HB2 ALA A 80 -4.338 8.702 -1.052 1.00 1.25 H new ATOM 0 HB3 ALA A 80 -5.709 8.630 0.080 1.00 1.25 H new ATOM 1009 N THR A 81 -7.862 10.319 -0.051 1.00 1.23 N ATOM 1010 CA THR A 81 -9.293 10.560 0.087 1.00 1.46 C ATOM 1011 C THR A 81 -9.552 11.984 0.572 1.00 1.63 C ATOM 1012 O THR A 81 -10.701 12.400 0.736 1.00 1.89 O ATOM 1013 CB THR A 81 -9.967 9.552 1.047 1.00 1.60 C ATOM 1014 OG1 THR A 81 -11.393 9.613 0.900 1.00 2.33 O ATOM 1015 CG2 THR A 81 -9.599 9.841 2.494 1.00 1.65 C ATOM 0 H THR A 81 -7.409 9.944 0.783 1.00 1.23 H new ATOM 0 HA THR A 81 -9.733 10.424 -0.901 1.00 1.46 H new ATOM 0 HB THR A 81 -9.611 8.555 0.789 1.00 1.60 H new ATOM 0 HG1 THR A 81 -11.664 10.537 0.716 1.00 2.33 H new ATOM 0 HG21 THR A 81 -10.088 9.116 3.145 1.00 1.65 H new ATOM 0 HG22 THR A 81 -8.518 9.768 2.616 1.00 1.65 H new ATOM 0 HG23 THR A 81 -9.927 10.846 2.759 1.00 1.65 H new ATOM 1023 N GLY A 82 -8.477 12.726 0.800 1.00 1.69 N ATOM 1024 CA GLY A 82 -8.605 14.100 1.229 1.00 2.14 C ATOM 1025 C GLY A 82 -8.976 15.012 0.080 1.00 2.00 C ATOM 1026 O GLY A 82 -9.663 16.017 0.266 1.00 2.59 O ATOM 0 H GLY A 82 -7.517 12.398 0.695 1.00 1.69 H new ATOM 0 HA2 GLY A 82 -9.364 14.169 2.008 1.00 2.14 H new ATOM 0 HA3 GLY A 82 -7.665 14.433 1.669 1.00 2.14 H new ATOM 1030 N LYS A 83 -8.521 14.660 -1.110 1.00 1.89 N ATOM 1031 CA LYS A 83 -8.833 15.421 -2.306 1.00 2.11 C ATOM 1032 C LYS A 83 -9.720 14.596 -3.227 1.00 2.84 C ATOM 1033 O LYS A 83 -10.957 14.739 -3.145 1.00 3.20 O ATOM 1034 CB LYS A 83 -7.543 15.829 -3.020 1.00 2.31 C ATOM 1035 CG LYS A 83 -7.763 16.655 -4.277 1.00 2.78 C ATOM 1036 CD LYS A 83 -6.442 17.103 -4.876 1.00 3.44 C ATOM 1037 CE LYS A 83 -6.639 17.831 -6.195 1.00 3.93 C ATOM 1038 NZ LYS A 83 -5.351 18.327 -6.750 1.00 4.41 N ATOM 1039 OXT LYS A 83 -9.183 13.788 -4.010 1.00 3.62 O ATOM 0 H LYS A 83 -7.930 13.845 -1.273 1.00 1.89 H new ATOM 0 HA LYS A 83 -9.371 16.326 -2.025 1.00 2.11 H new ATOM 0 HB2 LYS A 83 -6.922 16.398 -2.328 1.00 2.31 H new ATOM 0 HB3 LYS A 83 -6.986 14.930 -3.282 1.00 2.31 H new ATOM 0 HG2 LYS A 83 -8.317 16.068 -5.009 1.00 2.78 H new ATOM 0 HG3 LYS A 83 -8.373 17.527 -4.041 1.00 2.78 H new ATOM 0 HD2 LYS A 83 -5.927 17.758 -4.173 1.00 3.44 H new ATOM 0 HD3 LYS A 83 -5.801 16.236 -5.032 1.00 3.44 H new ATOM 0 HE2 LYS A 83 -7.110 17.160 -6.914 1.00 3.93 H new ATOM 0 HE3 LYS A 83 -7.319 18.670 -6.049 1.00 3.93 H new ATOM 0 HZ1 LYS A 83 -5.527 18.818 -7.650 1.00 4.41 H new ATOM 0 HZ2 LYS A 83 -4.913 18.987 -6.075 1.00 4.41 H new ATOM 0 HZ3 LYS A 83 -4.711 17.524 -6.913 1.00 4.41 H new ATOM 1054 N MET B 15 -14.163 9.300 1.235 1.00 2.24 N ATOM 1055 CA MET B 15 -14.451 8.908 2.633 1.00 1.67 C ATOM 1056 C MET B 15 -13.498 7.820 3.088 1.00 1.40 C ATOM 1057 O MET B 15 -12.565 8.070 3.853 1.00 1.55 O ATOM 1058 CB MET B 15 -15.896 8.421 2.777 1.00 1.81 C ATOM 1059 CG MET B 15 -16.940 9.484 2.476 1.00 2.21 C ATOM 1060 SD MET B 15 -18.628 8.893 2.721 1.00 3.03 S ATOM 1061 CE MET B 15 -18.717 7.580 1.505 1.00 3.68 C ATOM 0 HA MET B 15 -14.314 9.788 3.261 1.00 1.67 H new ATOM 0 HB2 MET B 15 -16.051 7.574 2.108 1.00 1.81 H new ATOM 0 HB3 MET B 15 -16.046 8.057 3.793 1.00 1.81 H new ATOM 0 HG2 MET B 15 -16.766 10.349 3.116 1.00 2.21 H new ATOM 0 HG3 MET B 15 -16.823 9.820 1.446 1.00 2.21 H new ATOM 0 HE1 MET B 15 -19.761 7.324 1.321 1.00 3.68 H new ATOM 0 HE2 MET B 15 -18.256 7.913 0.575 1.00 3.68 H new ATOM 0 HE3 MET B 15 -18.189 6.702 1.878 1.00 3.68 H new ATOM 1073 N ASP B 16 -13.734 6.616 2.609 1.00 1.24 N ATOM 1074 CA ASP B 16 -12.899 5.476 2.959 1.00 1.13 C ATOM 1075 C ASP B 16 -11.603 5.504 2.169 1.00 0.91 C ATOM 1076 O ASP B 16 -11.569 5.140 0.991 1.00 1.01 O ATOM 1077 CB ASP B 16 -13.622 4.153 2.706 1.00 1.39 C ATOM 1078 CG ASP B 16 -14.823 3.963 3.602 1.00 1.84 C ATOM 1079 OD1 ASP B 16 -14.646 3.510 4.752 1.00 2.27 O ATOM 1080 OD2 ASP B 16 -15.952 4.270 3.160 1.00 2.42 O ATOM 0 H ASP B 16 -14.500 6.397 1.973 1.00 1.24 H new ATOM 0 HA ASP B 16 -12.677 5.549 4.024 1.00 1.13 H new ATOM 0 HB2 ASP B 16 -13.941 4.112 1.665 1.00 1.39 H new ATOM 0 HB3 ASP B 16 -12.926 3.328 2.859 1.00 1.39 H new ATOM 1085 N ASN B 17 -10.541 5.939 2.825 1.00 0.78 N ATOM 1086 CA ASN B 17 -9.225 5.968 2.212 1.00 0.75 C ATOM 1087 C ASN B 17 -8.733 4.552 1.994 1.00 0.62 C ATOM 1088 O ASN B 17 -8.043 4.275 1.025 1.00 0.65 O ATOM 1089 CB ASN B 17 -8.233 6.726 3.092 1.00 0.93 C ATOM 1090 CG ASN B 17 -6.938 7.033 2.364 1.00 1.57 C ATOM 1091 OD1 ASN B 17 -6.828 8.053 1.690 1.00 2.52 O ATOM 1092 ND2 ASN B 17 -5.948 6.163 2.504 1.00 1.71 N ATOM 0 H ASN B 17 -10.565 6.278 3.787 1.00 0.78 H new ATOM 0 HA ASN B 17 -9.301 6.482 1.254 1.00 0.75 H new ATOM 0 HB2 ASN B 17 -8.688 7.657 3.429 1.00 0.93 H new ATOM 0 HB3 ASN B 17 -8.016 6.136 3.983 1.00 0.93 H new ATOM 0 HD21 ASN B 17 -5.054 6.329 2.042 1.00 1.71 H new ATOM 0 HD22 ASN B 17 -6.080 5.327 3.073 1.00 1.71 H new ATOM 1099 N LYS B 18 -9.127 3.659 2.894 1.00 0.59 N ATOM 1100 CA LYS B 18 -8.669 2.275 2.868 1.00 0.62 C ATOM 1101 C LYS B 18 -8.951 1.616 1.517 1.00 0.54 C ATOM 1102 O LYS B 18 -8.042 1.095 0.871 1.00 0.48 O ATOM 1103 CB LYS B 18 -9.344 1.467 3.981 1.00 0.82 C ATOM 1104 CG LYS B 18 -9.212 2.072 5.373 1.00 1.09 C ATOM 1105 CD LYS B 18 -7.766 2.372 5.736 1.00 1.04 C ATOM 1106 CE LYS B 18 -7.620 2.735 7.207 1.00 1.43 C ATOM 1107 NZ LYS B 18 -8.498 3.869 7.607 1.00 1.89 N ATOM 0 H LYS B 18 -9.769 3.872 3.658 1.00 0.59 H new ATOM 0 HA LYS B 18 -7.591 2.285 3.028 1.00 0.62 H new ATOM 0 HB2 LYS B 18 -10.403 1.361 3.744 1.00 0.82 H new ATOM 0 HB3 LYS B 18 -8.918 0.464 3.993 1.00 0.82 H new ATOM 0 HG2 LYS B 18 -9.796 2.991 5.424 1.00 1.09 H new ATOM 0 HG3 LYS B 18 -9.634 1.385 6.107 1.00 1.09 H new ATOM 0 HD2 LYS B 18 -7.147 1.504 5.512 1.00 1.04 H new ATOM 0 HD3 LYS B 18 -7.399 3.193 5.120 1.00 1.04 H new ATOM 0 HE2 LYS B 18 -7.857 1.864 7.818 1.00 1.43 H new ATOM 0 HE3 LYS B 18 -6.581 2.995 7.412 1.00 1.43 H new ATOM 0 HZ1 LYS B 18 -8.347 4.087 8.613 1.00 1.89 H new ATOM 0 HZ2 LYS B 18 -8.268 4.705 7.034 1.00 1.89 H new ATOM 0 HZ3 LYS B 18 -9.493 3.608 7.454 1.00 1.89 H new ATOM 1121 N LYS B 19 -10.205 1.660 1.084 1.00 0.61 N ATOM 1122 CA LYS B 19 -10.608 0.976 -0.140 1.00 0.61 C ATOM 1123 C LYS B 19 -10.025 1.652 -1.382 1.00 0.53 C ATOM 1124 O LYS B 19 -9.639 0.979 -2.337 1.00 0.55 O ATOM 1125 CB LYS B 19 -12.137 0.893 -0.236 1.00 0.77 C ATOM 1126 CG LYS B 19 -12.839 2.243 -0.279 1.00 0.82 C ATOM 1127 CD LYS B 19 -14.353 2.089 -0.289 1.00 1.20 C ATOM 1128 CE LYS B 19 -14.840 1.395 -1.552 1.00 1.06 C ATOM 1129 NZ LYS B 19 -16.300 1.134 -1.511 1.00 1.49 N ATOM 0 H LYS B 19 -10.957 2.159 1.559 1.00 0.61 H new ATOM 0 HA LYS B 19 -10.207 -0.037 -0.098 1.00 0.61 H new ATOM 0 HB2 LYS B 19 -12.403 0.330 -1.131 1.00 0.77 H new ATOM 0 HB3 LYS B 19 -12.512 0.329 0.618 1.00 0.77 H new ATOM 0 HG2 LYS B 19 -12.539 2.837 0.584 1.00 0.82 H new ATOM 0 HG3 LYS B 19 -12.523 2.790 -1.167 1.00 0.82 H new ATOM 0 HD2 LYS B 19 -14.666 1.517 0.584 1.00 1.20 H new ATOM 0 HD3 LYS B 19 -14.819 3.071 -0.211 1.00 1.20 H new ATOM 0 HE2 LYS B 19 -14.606 2.013 -2.419 1.00 1.06 H new ATOM 0 HE3 LYS B 19 -14.306 0.453 -1.678 1.00 1.06 H new ATOM 0 HZ1 LYS B 19 -16.593 0.660 -2.389 1.00 1.49 H new ATOM 0 HZ2 LYS B 19 -16.521 0.524 -0.698 1.00 1.49 H new ATOM 0 HZ3 LYS B 19 -16.811 2.035 -1.417 1.00 1.49 H new ATOM 1143 N ARG B 20 -9.942 2.978 -1.362 1.00 0.55 N ATOM 1144 CA ARG B 20 -9.399 3.715 -2.497 1.00 0.59 C ATOM 1145 C ARG B 20 -7.886 3.546 -2.568 1.00 0.55 C ATOM 1146 O ARG B 20 -7.295 3.549 -3.648 1.00 0.61 O ATOM 1147 CB ARG B 20 -9.783 5.196 -2.421 1.00 0.70 C ATOM 1148 CG ARG B 20 -11.273 5.428 -2.616 1.00 0.82 C ATOM 1149 CD ARG B 20 -11.624 6.906 -2.683 1.00 1.01 C ATOM 1150 NE ARG B 20 -13.029 7.101 -3.046 1.00 1.31 N ATOM 1151 CZ ARG B 20 -13.535 8.236 -3.530 1.00 1.46 C ATOM 1152 NH1 ARG B 20 -12.778 9.319 -3.645 1.00 1.33 N ATOM 1153 NH2 ARG B 20 -14.810 8.289 -3.887 1.00 2.34 N ATOM 0 H ARG B 20 -10.241 3.560 -0.580 1.00 0.55 H new ATOM 0 HA ARG B 20 -9.831 3.305 -3.410 1.00 0.59 H new ATOM 0 HB2 ARG B 20 -9.481 5.596 -1.453 1.00 0.70 H new ATOM 0 HB3 ARG B 20 -9.231 5.749 -3.181 1.00 0.70 H new ATOM 0 HG2 ARG B 20 -11.597 4.938 -3.534 1.00 0.82 H new ATOM 0 HG3 ARG B 20 -11.821 4.964 -1.796 1.00 0.82 H new ATOM 0 HD2 ARG B 20 -11.427 7.373 -1.718 1.00 1.01 H new ATOM 0 HD3 ARG B 20 -10.985 7.401 -3.414 1.00 1.01 H new ATOM 0 HE ARG B 20 -13.665 6.314 -2.920 1.00 1.31 H new ATOM 0 HH11 ARG B 20 -11.799 9.289 -3.362 1.00 1.33 H new ATOM 0 HH12 ARG B 20 -13.175 10.182 -4.017 1.00 1.33 H new ATOM 0 HH21 ARG B 20 -15.401 7.463 -3.791 1.00 2.34 H new ATOM 0 HH22 ARG B 20 -15.200 9.155 -4.258 1.00 2.34 H new ATOM 1167 N LEU B 21 -7.277 3.383 -1.406 1.00 0.54 N ATOM 1168 CA LEU B 21 -5.855 3.104 -1.297 1.00 0.58 C ATOM 1169 C LEU B 21 -5.518 1.781 -1.978 1.00 0.57 C ATOM 1170 O LEU B 21 -4.563 1.688 -2.750 1.00 0.64 O ATOM 1171 CB LEU B 21 -5.466 3.056 0.187 1.00 0.64 C ATOM 1172 CG LEU B 21 -4.052 2.573 0.505 1.00 0.60 C ATOM 1173 CD1 LEU B 21 -3.029 3.424 -0.220 1.00 0.70 C ATOM 1174 CD2 LEU B 21 -3.806 2.611 2.006 1.00 0.61 C ATOM 0 H LEU B 21 -7.757 3.441 -0.508 1.00 0.54 H new ATOM 0 HA LEU B 21 -5.292 3.893 -1.795 1.00 0.58 H new ATOM 0 HB2 LEU B 21 -5.587 4.056 0.604 1.00 0.64 H new ATOM 0 HB3 LEU B 21 -6.173 2.407 0.704 1.00 0.64 H new ATOM 0 HG LEU B 21 -3.951 1.543 0.163 1.00 0.60 H new ATOM 0 HD11 LEU B 21 -2.026 3.068 0.016 1.00 0.70 H new ATOM 0 HD12 LEU B 21 -3.195 3.355 -1.295 1.00 0.70 H new ATOM 0 HD13 LEU B 21 -3.129 4.462 0.097 1.00 0.70 H new ATOM 0 HD21 LEU B 21 -2.795 2.264 2.218 1.00 0.61 H new ATOM 0 HD22 LEU B 21 -3.923 3.632 2.368 1.00 0.61 H new ATOM 0 HD23 LEU B 21 -4.524 1.964 2.509 1.00 0.61 H new ATOM 1186 N ALA B 22 -6.337 0.778 -1.701 1.00 0.55 N ATOM 1187 CA ALA B 22 -6.103 -0.575 -2.181 1.00 0.63 C ATOM 1188 C ALA B 22 -6.047 -0.654 -3.699 1.00 0.51 C ATOM 1189 O ALA B 22 -5.011 -0.994 -4.263 1.00 0.44 O ATOM 1190 CB ALA B 22 -7.187 -1.498 -1.665 1.00 0.83 C ATOM 0 H ALA B 22 -7.181 0.879 -1.138 1.00 0.55 H new ATOM 0 HA ALA B 22 -5.130 -0.886 -1.802 1.00 0.63 H new ATOM 0 HB1 ALA B 22 -7.006 -2.510 -2.028 1.00 0.83 H new ATOM 0 HB2 ALA B 22 -7.178 -1.496 -0.575 1.00 0.83 H new ATOM 0 HB3 ALA B 22 -8.158 -1.153 -2.020 1.00 0.83 H new ATOM 1196 N TYR B 23 -7.158 -0.335 -4.357 1.00 0.62 N ATOM 1197 CA TYR B 23 -7.265 -0.530 -5.801 1.00 0.75 C ATOM 1198 C TYR B 23 -6.218 0.301 -6.536 1.00 0.66 C ATOM 1199 O TYR B 23 -5.676 -0.121 -7.557 1.00 0.66 O ATOM 1200 CB TYR B 23 -8.677 -0.179 -6.299 1.00 1.10 C ATOM 1201 CG TYR B 23 -8.886 1.284 -6.622 1.00 1.02 C ATOM 1202 CD1 TYR B 23 -8.590 1.785 -7.885 1.00 1.46 C ATOM 1203 CD2 TYR B 23 -9.370 2.165 -5.667 1.00 1.86 C ATOM 1204 CE1 TYR B 23 -8.768 3.119 -8.184 1.00 1.83 C ATOM 1205 CE2 TYR B 23 -9.548 3.504 -5.958 1.00 2.48 C ATOM 1206 CZ TYR B 23 -9.245 3.974 -7.217 1.00 2.22 C ATOM 1207 OH TYR B 23 -9.409 5.309 -7.499 1.00 2.99 O ATOM 0 H TYR B 23 -7.991 0.057 -3.918 1.00 0.62 H new ATOM 0 HA TYR B 23 -7.081 -1.583 -6.013 1.00 0.75 H new ATOM 0 HB2 TYR B 23 -8.890 -0.768 -7.191 1.00 1.10 H new ATOM 0 HB3 TYR B 23 -9.400 -0.477 -5.540 1.00 1.10 H new ATOM 0 HD1 TYR B 23 -8.214 1.117 -8.646 1.00 1.46 H new ATOM 0 HD2 TYR B 23 -9.612 1.799 -4.680 1.00 1.86 H new ATOM 0 HE1 TYR B 23 -8.535 3.491 -9.171 1.00 1.83 H new ATOM 0 HE2 TYR B 23 -9.923 4.179 -5.202 1.00 2.48 H new ATOM 0 HH TYR B 23 -10.350 5.555 -7.380 1.00 2.99 H new ATOM 1217 N ALA B 24 -5.940 1.480 -6.000 1.00 0.72 N ATOM 1218 CA ALA B 24 -4.960 2.376 -6.595 1.00 0.87 C ATOM 1219 C ALA B 24 -3.568 1.763 -6.546 1.00 0.75 C ATOM 1220 O ALA B 24 -2.810 1.840 -7.515 1.00 0.84 O ATOM 1221 CB ALA B 24 -4.977 3.718 -5.892 1.00 1.14 C ATOM 0 H ALA B 24 -6.380 1.839 -5.153 1.00 0.72 H new ATOM 0 HA ALA B 24 -5.226 2.529 -7.641 1.00 0.87 H new ATOM 0 HB1 ALA B 24 -4.239 4.377 -6.348 1.00 1.14 H new ATOM 0 HB2 ALA B 24 -5.967 4.164 -5.983 1.00 1.14 H new ATOM 0 HB3 ALA B 24 -4.737 3.580 -4.838 1.00 1.14 H new ATOM 1227 N ILE B 25 -3.236 1.158 -5.414 1.00 0.63 N ATOM 1228 CA ILE B 25 -1.976 0.447 -5.277 1.00 0.71 C ATOM 1229 C ILE B 25 -1.984 -0.806 -6.147 1.00 0.61 C ATOM 1230 O ILE B 25 -0.990 -1.125 -6.790 1.00 0.66 O ATOM 1231 CB ILE B 25 -1.682 0.086 -3.799 1.00 0.80 C ATOM 1232 CG1 ILE B 25 -1.316 1.354 -3.020 1.00 0.97 C ATOM 1233 CG2 ILE B 25 -0.569 -0.948 -3.691 1.00 0.91 C ATOM 1234 CD1 ILE B 25 -0.930 1.100 -1.579 1.00 0.89 C ATOM 0 H ILE B 25 -3.822 1.146 -4.579 1.00 0.63 H new ATOM 0 HA ILE B 25 -1.178 1.108 -5.615 1.00 0.71 H new ATOM 0 HB ILE B 25 -2.581 -0.354 -3.367 1.00 0.80 H new ATOM 0 HG12 ILE B 25 -0.488 1.852 -3.525 1.00 0.97 H new ATOM 0 HG13 ILE B 25 -2.163 2.040 -3.043 1.00 0.97 H new ATOM 0 HG21 ILE B 25 -0.388 -1.179 -2.641 1.00 0.91 H new ATOM 0 HG22 ILE B 25 -0.864 -1.856 -4.217 1.00 0.91 H new ATOM 0 HG23 ILE B 25 0.342 -0.550 -4.138 1.00 0.91 H new ATOM 0 HD11 ILE B 25 -0.685 2.046 -1.096 1.00 0.89 H new ATOM 0 HD12 ILE B 25 -1.763 0.631 -1.056 1.00 0.89 H new ATOM 0 HD13 ILE B 25 -0.063 0.440 -1.545 1.00 0.89 H new ATOM 1246 N ILE B 26 -3.122 -1.486 -6.190 1.00 0.53 N ATOM 1247 CA ILE B 26 -3.281 -2.676 -7.018 1.00 0.53 C ATOM 1248 C ILE B 26 -2.981 -2.380 -8.486 1.00 0.51 C ATOM 1249 O ILE B 26 -2.162 -3.054 -9.105 1.00 0.53 O ATOM 1250 CB ILE B 26 -4.705 -3.264 -6.906 1.00 0.58 C ATOM 1251 CG1 ILE B 26 -4.919 -3.888 -5.522 1.00 0.67 C ATOM 1252 CG2 ILE B 26 -4.944 -4.286 -8.009 1.00 0.62 C ATOM 1253 CD1 ILE B 26 -6.327 -4.402 -5.294 1.00 0.78 C ATOM 0 H ILE B 26 -3.954 -1.232 -5.658 1.00 0.53 H new ATOM 0 HA ILE B 26 -2.564 -3.408 -6.645 1.00 0.53 H new ATOM 0 HB ILE B 26 -5.428 -2.457 -7.028 1.00 0.58 H new ATOM 0 HG12 ILE B 26 -4.216 -4.711 -5.392 1.00 0.67 H new ATOM 0 HG13 ILE B 26 -4.685 -3.146 -4.759 1.00 0.67 H new ATOM 0 HG21 ILE B 26 -5.952 -4.692 -7.917 1.00 0.62 H new ATOM 0 HG22 ILE B 26 -4.834 -3.805 -8.981 1.00 0.62 H new ATOM 0 HG23 ILE B 26 -4.218 -5.094 -7.920 1.00 0.62 H new ATOM 0 HD11 ILE B 26 -6.401 -4.829 -4.294 1.00 0.78 H new ATOM 0 HD12 ILE B 26 -7.035 -3.579 -5.391 1.00 0.78 H new ATOM 0 HD13 ILE B 26 -6.559 -5.168 -6.034 1.00 0.78 H new ATOM 1265 N GLN B 27 -3.639 -1.364 -9.035 1.00 0.54 N ATOM 1266 CA GLN B 27 -3.462 -1.014 -10.440 1.00 0.62 C ATOM 1267 C GLN B 27 -2.030 -0.588 -10.725 1.00 0.55 C ATOM 1268 O GLN B 27 -1.480 -0.893 -11.786 1.00 0.57 O ATOM 1269 CB GLN B 27 -4.437 0.088 -10.851 1.00 0.79 C ATOM 1270 CG GLN B 27 -5.882 -0.377 -10.885 1.00 0.89 C ATOM 1271 CD GLN B 27 -6.083 -1.576 -11.793 1.00 1.10 C ATOM 1272 OE1 GLN B 27 -5.373 -1.747 -12.783 1.00 1.58 O ATOM 1273 NE2 GLN B 27 -7.050 -2.414 -11.463 1.00 1.34 N ATOM 0 H GLN B 27 -4.297 -0.770 -8.531 1.00 0.54 H new ATOM 0 HA GLN B 27 -3.675 -1.904 -11.032 1.00 0.62 H new ATOM 0 HB2 GLN B 27 -4.347 0.923 -10.156 1.00 0.79 H new ATOM 0 HB3 GLN B 27 -4.159 0.462 -11.836 1.00 0.79 H new ATOM 0 HG2 GLN B 27 -6.203 -0.632 -9.875 1.00 0.89 H new ATOM 0 HG3 GLN B 27 -6.516 0.442 -11.224 1.00 0.89 H new ATOM 0 HE21 GLN B 27 -7.617 -2.237 -10.634 1.00 1.34 H new ATOM 0 HE22 GLN B 27 -7.229 -3.238 -12.037 1.00 1.34 H new ATOM 1282 N PHE B 28 -1.423 0.101 -9.768 1.00 0.52 N ATOM 1283 CA PHE B 28 -0.034 0.508 -9.894 1.00 0.51 C ATOM 1284 C PHE B 28 0.870 -0.717 -9.865 1.00 0.43 C ATOM 1285 O PHE B 28 1.783 -0.841 -10.674 1.00 0.42 O ATOM 1286 CB PHE B 28 0.343 1.474 -8.772 1.00 0.60 C ATOM 1287 CG PHE B 28 1.738 2.027 -8.885 1.00 0.90 C ATOM 1288 CD1 PHE B 28 1.982 3.178 -9.614 1.00 1.62 C ATOM 1289 CD2 PHE B 28 2.802 1.395 -8.261 1.00 1.60 C ATOM 1290 CE1 PHE B 28 3.261 3.690 -9.717 1.00 1.96 C ATOM 1291 CE2 PHE B 28 4.081 1.901 -8.361 1.00 1.98 C ATOM 1292 CZ PHE B 28 4.312 3.051 -9.090 1.00 1.83 C ATOM 0 H PHE B 28 -1.871 0.388 -8.898 1.00 0.52 H new ATOM 0 HA PHE B 28 0.097 1.021 -10.847 1.00 0.51 H new ATOM 0 HB2 PHE B 28 -0.366 2.302 -8.766 1.00 0.60 H new ATOM 0 HB3 PHE B 28 0.243 0.961 -7.815 1.00 0.60 H new ATOM 0 HD1 PHE B 28 1.164 3.681 -10.108 1.00 1.62 H new ATOM 0 HD2 PHE B 28 2.627 0.495 -7.690 1.00 1.60 H new ATOM 0 HE1 PHE B 28 3.439 4.590 -10.288 1.00 1.96 H new ATOM 0 HE2 PHE B 28 4.901 1.398 -7.870 1.00 1.98 H new ATOM 0 HZ PHE B 28 5.313 3.450 -9.169 1.00 1.83 H new ATOM 1302 N LEU B 29 0.592 -1.628 -8.938 1.00 0.45 N ATOM 1303 CA LEU B 29 1.355 -2.864 -8.815 1.00 0.45 C ATOM 1304 C LEU B 29 1.137 -3.767 -10.023 1.00 0.45 C ATOM 1305 O LEU B 29 2.009 -4.549 -10.380 1.00 0.48 O ATOM 1306 CB LEU B 29 0.984 -3.611 -7.528 1.00 0.53 C ATOM 1307 CG LEU B 29 1.880 -3.333 -6.312 1.00 0.59 C ATOM 1308 CD1 LEU B 29 1.923 -1.847 -5.984 1.00 0.57 C ATOM 1309 CD2 LEU B 29 1.395 -4.129 -5.110 1.00 0.70 C ATOM 0 H LEU B 29 -0.161 -1.532 -8.257 1.00 0.45 H new ATOM 0 HA LEU B 29 2.410 -2.595 -8.771 1.00 0.45 H new ATOM 0 HB2 LEU B 29 -0.043 -3.356 -7.265 1.00 0.53 H new ATOM 0 HB3 LEU B 29 1.004 -4.681 -7.733 1.00 0.53 H new ATOM 0 HG LEU B 29 2.894 -3.648 -6.560 1.00 0.59 H new ATOM 0 HD11 LEU B 29 2.565 -1.684 -5.119 1.00 0.57 H new ATOM 0 HD12 LEU B 29 2.318 -1.297 -6.838 1.00 0.57 H new ATOM 0 HD13 LEU B 29 0.916 -1.495 -5.760 1.00 0.57 H new ATOM 0 HD21 LEU B 29 2.038 -3.924 -4.254 1.00 0.70 H new ATOM 0 HD22 LEU B 29 0.371 -3.841 -4.872 1.00 0.70 H new ATOM 0 HD23 LEU B 29 1.428 -5.194 -5.341 1.00 0.70 H new ATOM 1321 N HIS B 30 -0.027 -3.649 -10.648 1.00 0.47 N ATOM 1322 CA HIS B 30 -0.331 -4.410 -11.854 1.00 0.53 C ATOM 1323 C HIS B 30 0.543 -3.929 -13.010 1.00 0.48 C ATOM 1324 O HIS B 30 1.133 -4.730 -13.735 1.00 0.49 O ATOM 1325 CB HIS B 30 -1.816 -4.269 -12.208 1.00 0.67 C ATOM 1326 CG HIS B 30 -2.265 -5.164 -13.323 1.00 0.94 C ATOM 1327 ND1 HIS B 30 -2.524 -4.711 -14.599 1.00 1.11 N ATOM 1328 CD2 HIS B 30 -2.517 -6.494 -13.340 1.00 1.18 C ATOM 1329 CE1 HIS B 30 -2.916 -5.724 -15.351 1.00 1.38 C ATOM 1330 NE2 HIS B 30 -2.918 -6.814 -14.610 1.00 1.41 N ATOM 0 H HIS B 30 -0.778 -3.032 -10.339 1.00 0.47 H new ATOM 0 HA HIS B 30 -0.118 -5.463 -11.672 1.00 0.53 H new ATOM 0 HB2 HIS B 30 -2.412 -4.484 -11.321 1.00 0.67 H new ATOM 0 HB3 HIS B 30 -2.016 -3.234 -12.484 1.00 0.67 H new ATOM 0 HD2 HIS B 30 -2.420 -7.175 -12.508 1.00 1.18 H new ATOM 0 HE1 HIS B 30 -3.188 -5.668 -16.395 1.00 1.38 H new ATOM 0 HE2 HIS B 30 -3.177 -7.747 -14.931 1.00 1.41 H new ATOM 1339 N ASP B 31 0.635 -2.612 -13.162 1.00 0.48 N ATOM 1340 CA ASP B 31 1.510 -2.010 -14.167 1.00 0.52 C ATOM 1341 C ASP B 31 2.965 -2.282 -13.813 1.00 0.45 C ATOM 1342 O ASP B 31 3.786 -2.598 -14.670 1.00 0.50 O ATOM 1343 CB ASP B 31 1.264 -0.498 -14.244 1.00 0.63 C ATOM 1344 CG ASP B 31 2.164 0.196 -15.250 1.00 1.24 C ATOM 1345 OD1 ASP B 31 1.799 0.247 -16.445 1.00 1.98 O ATOM 1346 OD2 ASP B 31 3.232 0.706 -14.849 1.00 1.79 O ATOM 0 H ASP B 31 0.114 -1.938 -12.601 1.00 0.48 H new ATOM 0 HA ASP B 31 1.290 -2.452 -15.139 1.00 0.52 H new ATOM 0 HB2 ASP B 31 0.223 -0.317 -14.510 1.00 0.63 H new ATOM 0 HB3 ASP B 31 1.422 -0.059 -13.259 1.00 0.63 H new ATOM 1351 N GLN B 32 3.256 -2.170 -12.526 1.00 0.42 N ATOM 1352 CA GLN B 32 4.579 -2.438 -11.978 1.00 0.44 C ATOM 1353 C GLN B 32 4.990 -3.882 -12.257 1.00 0.38 C ATOM 1354 O GLN B 32 6.156 -4.173 -12.522 1.00 0.43 O ATOM 1355 CB GLN B 32 4.536 -2.184 -10.474 1.00 0.52 C ATOM 1356 CG GLN B 32 5.887 -2.085 -9.796 1.00 0.57 C ATOM 1357 CD GLN B 32 5.748 -1.781 -8.317 1.00 1.17 C ATOM 1358 OE1 GLN B 32 6.591 -1.111 -7.725 1.00 1.93 O ATOM 1359 NE2 GLN B 32 4.678 -2.277 -7.707 1.00 1.31 N ATOM 0 H GLN B 32 2.573 -1.887 -11.823 1.00 0.42 H new ATOM 0 HA GLN B 32 5.313 -1.783 -12.448 1.00 0.44 H new ATOM 0 HB2 GLN B 32 3.989 -1.259 -10.294 1.00 0.52 H new ATOM 0 HB3 GLN B 32 3.969 -2.987 -10.003 1.00 0.52 H new ATOM 0 HG2 GLN B 32 6.430 -3.021 -9.926 1.00 0.57 H new ATOM 0 HG3 GLN B 32 6.479 -1.305 -10.274 1.00 0.57 H new ATOM 0 HE21 GLN B 32 4.001 -2.829 -8.234 1.00 1.31 H new ATOM 0 HE22 GLN B 32 4.533 -2.106 -6.712 1.00 1.31 H new ATOM 1368 N LEU B 33 4.013 -4.776 -12.190 1.00 0.37 N ATOM 1369 CA LEU B 33 4.226 -6.189 -12.463 1.00 0.42 C ATOM 1370 C LEU B 33 4.543 -6.382 -13.939 1.00 0.46 C ATOM 1371 O LEU B 33 5.500 -7.067 -14.301 1.00 0.53 O ATOM 1372 CB LEU B 33 2.967 -6.978 -12.081 1.00 0.53 C ATOM 1373 CG LEU B 33 3.195 -8.373 -11.488 1.00 0.80 C ATOM 1374 CD1 LEU B 33 3.800 -9.317 -12.514 1.00 1.22 C ATOM 1375 CD2 LEU B 33 4.085 -8.277 -10.258 1.00 0.83 C ATOM 0 H LEU B 33 3.051 -4.541 -11.945 1.00 0.37 H new ATOM 0 HA LEU B 33 5.066 -6.555 -11.873 1.00 0.42 H new ATOM 0 HB2 LEU B 33 2.399 -6.389 -11.361 1.00 0.53 H new ATOM 0 HB3 LEU B 33 2.345 -7.081 -12.970 1.00 0.53 H new ATOM 0 HG LEU B 33 2.228 -8.781 -11.194 1.00 0.80 H new ATOM 0 HD11 LEU B 33 3.949 -10.298 -12.062 1.00 1.22 H new ATOM 0 HD12 LEU B 33 3.126 -9.409 -13.366 1.00 1.22 H new ATOM 0 HD13 LEU B 33 4.759 -8.923 -12.850 1.00 1.22 H new ATOM 0 HD21 LEU B 33 4.241 -9.273 -9.843 1.00 0.83 H new ATOM 0 HD22 LEU B 33 5.046 -7.845 -10.537 1.00 0.83 H new ATOM 0 HD23 LEU B 33 3.606 -7.644 -9.511 1.00 0.83 H new ATOM 1387 N ARG B 34 3.745 -5.743 -14.782 1.00 0.47 N ATOM 1388 CA ARG B 34 3.911 -5.835 -16.225 1.00 0.59 C ATOM 1389 C ARG B 34 5.240 -5.221 -16.658 1.00 0.58 C ATOM 1390 O ARG B 34 5.882 -5.703 -17.589 1.00 0.69 O ATOM 1391 CB ARG B 34 2.749 -5.123 -16.925 1.00 0.70 C ATOM 1392 CG ARG B 34 2.734 -5.304 -18.433 1.00 1.41 C ATOM 1393 CD ARG B 34 2.562 -6.765 -18.815 1.00 1.46 C ATOM 1394 NE ARG B 34 2.431 -6.941 -20.259 1.00 2.18 N ATOM 1395 CZ ARG B 34 2.446 -8.127 -20.864 1.00 2.53 C ATOM 1396 NH1 ARG B 34 2.606 -9.236 -20.152 1.00 2.19 N ATOM 1397 NH2 ARG B 34 2.297 -8.202 -22.179 1.00 3.50 N ATOM 0 H ARG B 34 2.969 -5.150 -14.488 1.00 0.47 H new ATOM 0 HA ARG B 34 3.913 -6.887 -16.509 1.00 0.59 H new ATOM 0 HB2 ARG B 34 1.809 -5.493 -16.515 1.00 0.70 H new ATOM 0 HB3 ARG B 34 2.798 -4.058 -16.697 1.00 0.70 H new ATOM 0 HG2 ARG B 34 1.923 -4.716 -18.863 1.00 1.41 H new ATOM 0 HG3 ARG B 34 3.664 -4.923 -18.856 1.00 1.41 H new ATOM 0 HD2 ARG B 34 3.418 -7.337 -18.456 1.00 1.46 H new ATOM 0 HD3 ARG B 34 1.679 -7.168 -18.319 1.00 1.46 H new ATOM 0 HE ARG B 34 2.322 -6.108 -20.837 1.00 2.18 H new ATOM 0 HH11 ARG B 34 2.718 -9.180 -19.140 1.00 2.19 H new ATOM 0 HH12 ARG B 34 2.617 -10.144 -20.617 1.00 2.19 H new ATOM 0 HH21 ARG B 34 2.171 -7.351 -22.727 1.00 3.50 H new ATOM 0 HH22 ARG B 34 2.308 -9.111 -22.643 1.00 3.50 H new ATOM 1411 N HIS B 35 5.648 -4.160 -15.976 1.00 0.53 N ATOM 1412 CA HIS B 35 6.881 -3.463 -16.314 1.00 0.59 C ATOM 1413 C HIS B 35 8.098 -4.179 -15.726 1.00 0.58 C ATOM 1414 O HIS B 35 9.227 -3.972 -16.167 1.00 0.74 O ATOM 1415 CB HIS B 35 6.829 -2.016 -15.810 1.00 0.59 C ATOM 1416 CG HIS B 35 7.907 -1.137 -16.371 1.00 1.17 C ATOM 1417 ND1 HIS B 35 9.049 -0.801 -15.676 1.00 1.99 N ATOM 1418 CD2 HIS B 35 8.005 -0.517 -17.569 1.00 1.62 C ATOM 1419 CE1 HIS B 35 9.800 -0.015 -16.424 1.00 2.69 C ATOM 1420 NE2 HIS B 35 9.191 0.172 -17.575 1.00 2.43 N ATOM 0 H HIS B 35 5.142 -3.763 -15.184 1.00 0.53 H new ATOM 0 HA HIS B 35 6.979 -3.460 -17.400 1.00 0.59 H new ATOM 0 HB2 HIS B 35 5.858 -1.589 -16.061 1.00 0.59 H new ATOM 0 HB3 HIS B 35 6.905 -2.018 -14.723 1.00 0.59 H new ATOM 0 HD2 HIS B 35 7.284 -0.557 -18.372 1.00 1.62 H new ATOM 0 HE1 HIS B 35 10.754 0.404 -16.139 1.00 2.69 H new ATOM 0 HE2 HIS B 35 9.544 0.738 -18.347 1.00 2.43 H new ATOM 1429 N GLY B 36 7.852 -5.025 -14.732 1.00 0.49 N ATOM 1430 CA GLY B 36 8.930 -5.740 -14.073 1.00 0.51 C ATOM 1431 C GLY B 36 9.693 -4.852 -13.111 1.00 0.47 C ATOM 1432 O GLY B 36 10.918 -4.910 -13.038 1.00 0.53 O ATOM 0 H GLY B 36 6.921 -5.229 -14.369 1.00 0.49 H new ATOM 0 HA2 GLY B 36 8.522 -6.594 -13.532 1.00 0.51 H new ATOM 0 HA3 GLY B 36 9.615 -6.135 -14.823 1.00 0.51 H new ATOM 1436 N GLY B 37 8.955 -4.039 -12.366 1.00 0.41 N ATOM 1437 CA GLY B 37 9.565 -3.061 -11.483 1.00 0.40 C ATOM 1438 C GLY B 37 10.375 -3.682 -10.361 1.00 0.39 C ATOM 1439 O GLY B 37 11.428 -3.161 -9.989 1.00 0.53 O ATOM 0 H GLY B 37 7.935 -4.040 -12.357 1.00 0.41 H new ATOM 0 HA2 GLY B 37 10.212 -2.408 -12.069 1.00 0.40 H new ATOM 0 HA3 GLY B 37 8.784 -2.434 -11.053 1.00 0.40 H new ATOM 1443 N LEU B 38 9.895 -4.789 -9.819 1.00 0.36 N ATOM 1444 CA LEU B 38 10.572 -5.436 -8.701 1.00 0.41 C ATOM 1445 C LEU B 38 11.387 -6.641 -9.156 1.00 0.49 C ATOM 1446 O LEU B 38 11.369 -7.011 -10.331 1.00 0.83 O ATOM 1447 CB LEU B 38 9.567 -5.863 -7.624 1.00 0.44 C ATOM 1448 CG LEU B 38 9.185 -4.790 -6.594 1.00 0.44 C ATOM 1449 CD1 LEU B 38 10.410 -4.314 -5.829 1.00 0.51 C ATOM 1450 CD2 LEU B 38 8.492 -3.618 -7.264 1.00 0.47 C ATOM 0 H LEU B 38 9.045 -5.258 -10.131 1.00 0.36 H new ATOM 0 HA LEU B 38 11.257 -4.703 -8.276 1.00 0.41 H new ATOM 0 HB2 LEU B 38 8.657 -6.203 -8.119 1.00 0.44 H new ATOM 0 HB3 LEU B 38 9.979 -6.720 -7.091 1.00 0.44 H new ATOM 0 HG LEU B 38 8.490 -5.240 -5.885 1.00 0.44 H new ATOM 0 HD11 LEU B 38 10.115 -3.554 -5.105 1.00 0.51 H new ATOM 0 HD12 LEU B 38 10.863 -5.157 -5.306 1.00 0.51 H new ATOM 0 HD13 LEU B 38 11.132 -3.889 -6.526 1.00 0.51 H new ATOM 0 HD21 LEU B 38 8.232 -2.872 -6.513 1.00 0.47 H new ATOM 0 HD22 LEU B 38 9.160 -3.173 -8.001 1.00 0.47 H new ATOM 0 HD23 LEU B 38 7.586 -3.966 -7.759 1.00 0.47 H new ATOM 1462 N SER B 39 12.097 -7.248 -8.210 1.00 0.47 N ATOM 1463 CA SER B 39 12.939 -8.408 -8.480 1.00 0.54 C ATOM 1464 C SER B 39 12.089 -9.658 -8.744 1.00 0.48 C ATOM 1465 O SER B 39 10.869 -9.571 -8.855 1.00 0.45 O ATOM 1466 CB SER B 39 13.873 -8.633 -7.291 1.00 0.67 C ATOM 1467 OG SER B 39 14.554 -7.436 -6.950 1.00 1.42 O ATOM 0 H SER B 39 12.105 -6.949 -7.235 1.00 0.47 H new ATOM 0 HA SER B 39 13.529 -8.219 -9.377 1.00 0.54 H new ATOM 0 HB2 SER B 39 13.299 -8.987 -6.434 1.00 0.67 H new ATOM 0 HB3 SER B 39 14.596 -9.411 -7.534 1.00 0.67 H new ATOM 0 HG SER B 39 15.145 -7.602 -6.186 1.00 1.42 H new ATOM 1473 N SER B 40 12.735 -10.816 -8.836 1.00 0.59 N ATOM 1474 CA SER B 40 12.055 -12.056 -9.202 1.00 0.61 C ATOM 1475 C SER B 40 11.003 -12.459 -8.166 1.00 0.53 C ATOM 1476 O SER B 40 9.805 -12.460 -8.459 1.00 0.49 O ATOM 1477 CB SER B 40 13.080 -13.178 -9.366 1.00 0.77 C ATOM 1478 OG SER B 40 12.458 -14.395 -9.737 1.00 1.63 O ATOM 0 H SER B 40 13.734 -10.923 -8.661 1.00 0.59 H new ATOM 0 HA SER B 40 11.538 -11.885 -10.146 1.00 0.61 H new ATOM 0 HB2 SER B 40 13.812 -12.896 -10.123 1.00 0.77 H new ATOM 0 HB3 SER B 40 13.624 -13.316 -8.432 1.00 0.77 H new ATOM 0 HG SER B 40 13.138 -15.093 -9.836 1.00 1.63 H new ATOM 1484 N ASP B 41 11.445 -12.778 -6.952 1.00 0.57 N ATOM 1485 CA ASP B 41 10.530 -13.197 -5.891 1.00 0.58 C ATOM 1486 C ASP B 41 9.646 -12.035 -5.480 1.00 0.53 C ATOM 1487 O ASP B 41 8.501 -12.214 -5.061 1.00 0.55 O ATOM 1488 CB ASP B 41 11.299 -13.715 -4.671 1.00 0.71 C ATOM 1489 CG ASP B 41 12.002 -15.031 -4.933 1.00 1.26 C ATOM 1490 OD1 ASP B 41 11.373 -16.095 -4.755 1.00 2.21 O ATOM 1491 OD2 ASP B 41 13.190 -15.014 -5.309 1.00 1.69 O ATOM 0 H ASP B 41 12.427 -12.755 -6.678 1.00 0.57 H new ATOM 0 HA ASP B 41 9.912 -14.007 -6.278 1.00 0.58 H new ATOM 0 HB2 ASP B 41 12.035 -12.970 -4.368 1.00 0.71 H new ATOM 0 HB3 ASP B 41 10.608 -13.838 -3.837 1.00 0.71 H new ATOM 1496 N ALA B 42 10.198 -10.843 -5.611 1.00 0.51 N ATOM 1497 CA ALA B 42 9.481 -9.619 -5.314 1.00 0.50 C ATOM 1498 C ALA B 42 8.273 -9.458 -6.233 1.00 0.47 C ATOM 1499 O ALA B 42 7.185 -9.099 -5.788 1.00 0.52 O ATOM 1500 CB ALA B 42 10.423 -8.439 -5.455 1.00 0.54 C ATOM 0 H ALA B 42 11.157 -10.697 -5.927 1.00 0.51 H new ATOM 0 HA ALA B 42 9.112 -9.663 -4.289 1.00 0.50 H new ATOM 0 HB1 ALA B 42 9.887 -7.517 -5.232 1.00 0.54 H new ATOM 0 HB2 ALA B 42 11.255 -8.552 -4.760 1.00 0.54 H new ATOM 0 HB3 ALA B 42 10.806 -8.399 -6.475 1.00 0.54 H new ATOM 1506 N GLN B 43 8.482 -9.741 -7.513 1.00 0.44 N ATOM 1507 CA GLN B 43 7.431 -9.652 -8.518 1.00 0.45 C ATOM 1508 C GLN B 43 6.312 -10.642 -8.204 1.00 0.45 C ATOM 1509 O GLN B 43 5.128 -10.301 -8.252 1.00 0.48 O ATOM 1510 CB GLN B 43 8.028 -9.940 -9.898 1.00 0.49 C ATOM 1511 CG GLN B 43 7.126 -9.567 -11.056 1.00 0.82 C ATOM 1512 CD GLN B 43 7.775 -9.799 -12.406 1.00 0.85 C ATOM 1513 OE1 GLN B 43 7.477 -9.103 -13.374 1.00 1.57 O ATOM 1514 NE2 GLN B 43 8.666 -10.774 -12.484 1.00 1.12 N ATOM 0 H GLN B 43 9.385 -10.039 -7.883 1.00 0.44 H new ATOM 0 HA GLN B 43 7.008 -8.648 -8.511 1.00 0.45 H new ATOM 0 HB2 GLN B 43 8.968 -9.397 -9.995 1.00 0.49 H new ATOM 0 HB3 GLN B 43 8.265 -11.002 -9.964 1.00 0.49 H new ATOM 0 HG2 GLN B 43 6.206 -10.149 -10.996 1.00 0.82 H new ATOM 0 HG3 GLN B 43 6.846 -8.517 -10.969 1.00 0.82 H new ATOM 0 HE21 GLN B 43 8.887 -11.330 -11.658 1.00 1.12 H new ATOM 0 HE22 GLN B 43 9.132 -10.969 -13.370 1.00 1.12 H new ATOM 1523 N GLU B 44 6.696 -11.859 -7.853 1.00 0.49 N ATOM 1524 CA GLU B 44 5.730 -12.893 -7.505 1.00 0.54 C ATOM 1525 C GLU B 44 4.924 -12.468 -6.283 1.00 0.51 C ATOM 1526 O GLU B 44 3.719 -12.713 -6.195 1.00 0.50 O ATOM 1527 CB GLU B 44 6.442 -14.217 -7.227 1.00 0.68 C ATOM 1528 CG GLU B 44 7.414 -14.630 -8.320 1.00 1.20 C ATOM 1529 CD GLU B 44 6.768 -14.712 -9.687 1.00 1.65 C ATOM 1530 OE1 GLU B 44 6.727 -13.686 -10.396 1.00 2.20 O ATOM 1531 OE2 GLU B 44 6.316 -15.810 -10.071 1.00 2.36 O ATOM 0 H GLU B 44 7.670 -12.157 -7.801 1.00 0.49 H new ATOM 0 HA GLU B 44 5.052 -13.031 -8.347 1.00 0.54 H new ATOM 0 HB2 GLU B 44 6.982 -14.138 -6.284 1.00 0.68 H new ATOM 0 HB3 GLU B 44 5.696 -15.001 -7.102 1.00 0.68 H new ATOM 0 HG2 GLU B 44 8.237 -13.916 -8.355 1.00 1.20 H new ATOM 0 HG3 GLU B 44 7.844 -15.600 -8.069 1.00 1.20 H new ATOM 1538 N SER B 45 5.600 -11.800 -5.356 1.00 0.54 N ATOM 1539 CA SER B 45 4.974 -11.333 -4.131 1.00 0.59 C ATOM 1540 C SER B 45 3.969 -10.214 -4.405 1.00 0.55 C ATOM 1541 O SER B 45 3.017 -10.037 -3.644 1.00 0.58 O ATOM 1542 CB SER B 45 6.042 -10.858 -3.146 1.00 0.71 C ATOM 1543 OG SER B 45 6.946 -11.907 -2.833 1.00 1.04 O ATOM 0 H SER B 45 6.591 -11.569 -5.434 1.00 0.54 H new ATOM 0 HA SER B 45 4.427 -12.168 -3.693 1.00 0.59 H new ATOM 0 HB2 SER B 45 6.588 -10.017 -3.574 1.00 0.71 H new ATOM 0 HB3 SER B 45 5.566 -10.498 -2.234 1.00 0.71 H new ATOM 0 HG SER B 45 7.504 -12.102 -3.615 1.00 1.04 H new ATOM 1549 N LEU B 46 4.169 -9.463 -5.487 1.00 0.56 N ATOM 1550 CA LEU B 46 3.236 -8.396 -5.835 1.00 0.60 C ATOM 1551 C LEU B 46 1.873 -8.978 -6.158 1.00 0.50 C ATOM 1552 O LEU B 46 0.868 -8.551 -5.602 1.00 0.48 O ATOM 1553 CB LEU B 46 3.716 -7.576 -7.036 1.00 0.74 C ATOM 1554 CG LEU B 46 5.077 -6.899 -6.893 1.00 0.75 C ATOM 1555 CD1 LEU B 46 5.307 -5.913 -8.026 1.00 1.28 C ATOM 1556 CD2 LEU B 46 5.197 -6.200 -5.547 1.00 1.14 C ATOM 0 H LEU B 46 4.955 -9.571 -6.127 1.00 0.56 H new ATOM 0 HA LEU B 46 3.174 -7.736 -4.970 1.00 0.60 H new ATOM 0 HB2 LEU B 46 3.750 -8.232 -7.906 1.00 0.74 H new ATOM 0 HB3 LEU B 46 2.972 -6.807 -7.245 1.00 0.74 H new ATOM 0 HG LEU B 46 5.845 -7.671 -6.946 1.00 0.75 H new ATOM 0 HD11 LEU B 46 6.282 -5.441 -7.906 1.00 1.28 H new ATOM 0 HD12 LEU B 46 5.274 -6.440 -8.979 1.00 1.28 H new ATOM 0 HD13 LEU B 46 4.530 -5.149 -8.007 1.00 1.28 H new ATOM 0 HD21 LEU B 46 6.175 -5.725 -5.469 1.00 1.14 H new ATOM 0 HD22 LEU B 46 4.418 -5.442 -5.460 1.00 1.14 H new ATOM 0 HD23 LEU B 46 5.084 -6.931 -4.746 1.00 1.14 H new ATOM 1568 N GLU B 47 1.851 -9.972 -7.043 1.00 0.49 N ATOM 1569 CA GLU B 47 0.598 -10.590 -7.466 1.00 0.48 C ATOM 1570 C GLU B 47 -0.157 -11.163 -6.271 1.00 0.43 C ATOM 1571 O GLU B 47 -1.365 -10.959 -6.131 1.00 0.45 O ATOM 1572 CB GLU B 47 0.855 -11.686 -8.499 1.00 0.55 C ATOM 1573 CG GLU B 47 -0.419 -12.354 -8.989 1.00 0.81 C ATOM 1574 CD GLU B 47 -0.162 -13.403 -10.047 1.00 1.06 C ATOM 1575 OE1 GLU B 47 0.223 -14.533 -9.686 1.00 1.75 O ATOM 1576 OE2 GLU B 47 -0.350 -13.105 -11.244 1.00 1.52 O ATOM 0 H GLU B 47 2.685 -10.365 -7.480 1.00 0.49 H new ATOM 0 HA GLU B 47 -0.017 -9.816 -7.925 1.00 0.48 H new ATOM 0 HB2 GLU B 47 1.384 -11.258 -9.350 1.00 0.55 H new ATOM 0 HB3 GLU B 47 1.510 -12.441 -8.064 1.00 0.55 H new ATOM 0 HG2 GLU B 47 -0.930 -12.815 -8.144 1.00 0.81 H new ATOM 0 HG3 GLU B 47 -1.090 -11.595 -9.392 1.00 0.81 H new ATOM 1583 N VAL B 48 0.563 -11.866 -5.404 1.00 0.41 N ATOM 1584 CA VAL B 48 -0.031 -12.429 -4.197 1.00 0.42 C ATOM 1585 C VAL B 48 -0.604 -11.323 -3.315 1.00 0.41 C ATOM 1586 O VAL B 48 -1.728 -11.423 -2.824 1.00 0.43 O ATOM 1587 CB VAL B 48 0.999 -13.246 -3.390 1.00 0.45 C ATOM 1588 CG1 VAL B 48 0.371 -13.820 -2.128 1.00 0.49 C ATOM 1589 CG2 VAL B 48 1.584 -14.358 -4.241 1.00 0.48 C ATOM 0 H VAL B 48 1.558 -12.060 -5.514 1.00 0.41 H new ATOM 0 HA VAL B 48 -0.834 -13.096 -4.511 1.00 0.42 H new ATOM 0 HB VAL B 48 1.804 -12.573 -3.095 1.00 0.45 H new ATOM 0 HG11 VAL B 48 1.118 -14.391 -1.577 1.00 0.49 H new ATOM 0 HG12 VAL B 48 0.003 -13.007 -1.503 1.00 0.49 H new ATOM 0 HG13 VAL B 48 -0.458 -14.473 -2.399 1.00 0.49 H new ATOM 0 HG21 VAL B 48 2.308 -14.923 -3.654 1.00 0.48 H new ATOM 0 HG22 VAL B 48 0.785 -15.023 -4.570 1.00 0.48 H new ATOM 0 HG23 VAL B 48 2.079 -13.928 -5.112 1.00 0.48 H new ATOM 1599 N ALA B 49 0.170 -10.258 -3.140 1.00 0.41 N ATOM 1600 CA ALA B 49 -0.249 -9.134 -2.315 1.00 0.43 C ATOM 1601 C ALA B 49 -1.451 -8.424 -2.924 1.00 0.43 C ATOM 1602 O ALA B 49 -2.334 -7.967 -2.203 1.00 0.48 O ATOM 1603 CB ALA B 49 0.899 -8.162 -2.124 1.00 0.44 C ATOM 0 H ALA B 49 1.093 -10.150 -3.560 1.00 0.41 H new ATOM 0 HA ALA B 49 -0.545 -9.522 -1.341 1.00 0.43 H new ATOM 0 HB1 ALA B 49 0.570 -7.327 -1.505 1.00 0.44 H new ATOM 0 HB2 ALA B 49 1.729 -8.671 -1.635 1.00 0.44 H new ATOM 0 HB3 ALA B 49 1.224 -7.788 -3.095 1.00 0.44 H new ATOM 1609 N ILE B 50 -1.476 -8.337 -4.251 1.00 0.40 N ATOM 1610 CA ILE B 50 -2.602 -7.746 -4.967 1.00 0.41 C ATOM 1611 C ILE B 50 -3.899 -8.455 -4.599 1.00 0.38 C ATOM 1612 O ILE B 50 -4.846 -7.827 -4.126 1.00 0.41 O ATOM 1613 CB ILE B 50 -2.397 -7.812 -6.502 1.00 0.43 C ATOM 1614 CG1 ILE B 50 -1.301 -6.834 -6.942 1.00 0.53 C ATOM 1615 CG2 ILE B 50 -3.701 -7.523 -7.236 1.00 0.47 C ATOM 1616 CD1 ILE B 50 -0.975 -6.906 -8.421 1.00 0.62 C ATOM 0 H ILE B 50 -0.725 -8.670 -4.855 1.00 0.40 H new ATOM 0 HA ILE B 50 -2.662 -6.699 -4.671 1.00 0.41 H new ATOM 0 HB ILE B 50 -2.080 -8.823 -6.760 1.00 0.43 H new ATOM 0 HG12 ILE B 50 -1.613 -5.819 -6.697 1.00 0.53 H new ATOM 0 HG13 ILE B 50 -0.396 -7.036 -6.370 1.00 0.53 H new ATOM 0 HG21 ILE B 50 -3.532 -7.575 -8.312 1.00 0.47 H new ATOM 0 HG22 ILE B 50 -4.451 -8.261 -6.950 1.00 0.47 H new ATOM 0 HG23 ILE B 50 -4.054 -6.526 -6.972 1.00 0.47 H new ATOM 0 HD11 ILE B 50 -0.192 -6.186 -8.656 1.00 0.62 H new ATOM 0 HD12 ILE B 50 -0.631 -7.910 -8.669 1.00 0.62 H new ATOM 0 HD13 ILE B 50 -1.868 -6.674 -9.002 1.00 0.62 H new ATOM 1628 N GLN B 51 -3.921 -9.769 -4.786 1.00 0.39 N ATOM 1629 CA GLN B 51 -5.116 -10.561 -4.524 1.00 0.43 C ATOM 1630 C GLN B 51 -5.456 -10.545 -3.036 1.00 0.43 C ATOM 1631 O GLN B 51 -6.629 -10.546 -2.649 1.00 0.47 O ATOM 1632 CB GLN B 51 -4.915 -12.004 -4.998 1.00 0.51 C ATOM 1633 CG GLN B 51 -4.445 -12.121 -6.442 1.00 0.78 C ATOM 1634 CD GLN B 51 -5.364 -11.423 -7.427 1.00 1.02 C ATOM 1635 OE1 GLN B 51 -6.572 -11.316 -7.209 1.00 1.84 O ATOM 1636 NE2 GLN B 51 -4.798 -10.938 -8.519 1.00 1.35 N ATOM 0 H GLN B 51 -3.123 -10.310 -5.119 1.00 0.39 H new ATOM 0 HA GLN B 51 -5.945 -10.119 -5.077 1.00 0.43 H new ATOM 0 HB2 GLN B 51 -4.187 -12.491 -4.349 1.00 0.51 H new ATOM 0 HB3 GLN B 51 -5.854 -12.546 -4.887 1.00 0.51 H new ATOM 0 HG2 GLN B 51 -3.444 -11.699 -6.527 1.00 0.78 H new ATOM 0 HG3 GLN B 51 -4.370 -13.175 -6.709 1.00 0.78 H new ATOM 0 HE21 GLN B 51 -3.794 -11.046 -8.664 1.00 1.35 H new ATOM 0 HE22 GLN B 51 -5.365 -10.456 -9.216 1.00 1.35 H new ATOM 1645 N CYS B 52 -4.423 -10.516 -2.206 1.00 0.45 N ATOM 1646 CA CYS B 52 -4.600 -10.542 -0.765 1.00 0.52 C ATOM 1647 C CYS B 52 -5.187 -9.222 -0.264 1.00 0.53 C ATOM 1648 O CYS B 52 -6.156 -9.220 0.490 1.00 0.59 O ATOM 1649 CB CYS B 52 -3.268 -10.832 -0.073 1.00 0.59 C ATOM 1650 SG CYS B 52 -3.429 -11.347 1.650 1.00 0.69 S ATOM 0 H CYS B 52 -3.450 -10.474 -2.510 1.00 0.45 H new ATOM 0 HA CYS B 52 -5.302 -11.339 -0.521 1.00 0.52 H new ATOM 0 HB2 CYS B 52 -2.745 -11.612 -0.627 1.00 0.59 H new ATOM 0 HB3 CYS B 52 -2.646 -9.938 -0.117 1.00 0.59 H new ATOM 0 HG CYS B 52 -3.372 -10.303 2.422 1.00 0.69 H new ATOM 1656 N LEU B 53 -4.616 -8.100 -0.700 1.00 0.49 N ATOM 1657 CA LEU B 53 -5.099 -6.786 -0.279 1.00 0.53 C ATOM 1658 C LEU B 53 -6.450 -6.473 -0.904 1.00 0.50 C ATOM 1659 O LEU B 53 -7.276 -5.789 -0.298 1.00 0.57 O ATOM 1660 CB LEU B 53 -4.095 -5.685 -0.624 1.00 0.63 C ATOM 1661 CG LEU B 53 -2.878 -5.601 0.298 1.00 0.54 C ATOM 1662 CD1 LEU B 53 -1.953 -4.480 -0.145 1.00 0.76 C ATOM 1663 CD2 LEU B 53 -3.311 -5.393 1.746 1.00 0.61 C ATOM 0 H LEU B 53 -3.823 -8.074 -1.341 1.00 0.49 H new ATOM 0 HA LEU B 53 -5.215 -6.817 0.804 1.00 0.53 H new ATOM 0 HB2 LEU B 53 -3.747 -5.840 -1.645 1.00 0.63 H new ATOM 0 HB3 LEU B 53 -4.612 -4.725 -0.605 1.00 0.63 H new ATOM 0 HG LEU B 53 -2.336 -6.544 0.235 1.00 0.54 H new ATOM 0 HD11 LEU B 53 -1.092 -4.434 0.522 1.00 0.76 H new ATOM 0 HD12 LEU B 53 -1.614 -4.669 -1.163 1.00 0.76 H new ATOM 0 HD13 LEU B 53 -2.489 -3.531 -0.112 1.00 0.76 H new ATOM 0 HD21 LEU B 53 -2.430 -5.336 2.385 1.00 0.61 H new ATOM 0 HD22 LEU B 53 -3.878 -4.466 1.827 1.00 0.61 H new ATOM 0 HD23 LEU B 53 -3.935 -6.229 2.063 1.00 0.61 H new ATOM 1675 N GLU B 54 -6.671 -6.975 -2.112 1.00 0.46 N ATOM 1676 CA GLU B 54 -7.964 -6.845 -2.763 1.00 0.50 C ATOM 1677 C GLU B 54 -9.040 -7.453 -1.869 1.00 0.56 C ATOM 1678 O GLU B 54 -10.081 -6.845 -1.615 1.00 0.65 O ATOM 1679 CB GLU B 54 -7.946 -7.546 -4.123 1.00 0.55 C ATOM 1680 CG GLU B 54 -9.214 -7.345 -4.930 1.00 0.73 C ATOM 1681 CD GLU B 54 -9.187 -8.075 -6.254 1.00 1.06 C ATOM 1682 OE1 GLU B 54 -9.500 -9.284 -6.275 1.00 1.62 O ATOM 1683 OE2 GLU B 54 -8.866 -7.442 -7.282 1.00 1.66 O ATOM 0 H GLU B 54 -5.971 -7.475 -2.659 1.00 0.46 H new ATOM 0 HA GLU B 54 -8.183 -5.789 -2.925 1.00 0.50 H new ATOM 0 HB2 GLU B 54 -7.097 -7.179 -4.700 1.00 0.55 H new ATOM 0 HB3 GLU B 54 -7.789 -8.614 -3.969 1.00 0.55 H new ATOM 0 HG2 GLU B 54 -10.069 -7.690 -4.348 1.00 0.73 H new ATOM 0 HG3 GLU B 54 -9.360 -6.280 -5.110 1.00 0.73 H new ATOM 1690 N THR B 55 -8.755 -8.646 -1.370 1.00 0.61 N ATOM 1691 CA THR B 55 -9.650 -9.336 -0.457 1.00 0.77 C ATOM 1692 C THR B 55 -9.682 -8.637 0.906 1.00 0.83 C ATOM 1693 O THR B 55 -10.724 -8.568 1.556 1.00 0.98 O ATOM 1694 CB THR B 55 -9.205 -10.802 -0.282 1.00 0.95 C ATOM 1695 OG1 THR B 55 -9.062 -11.418 -1.571 1.00 0.99 O ATOM 1696 CG2 THR B 55 -10.206 -11.589 0.551 1.00 1.15 C ATOM 0 H THR B 55 -7.901 -9.160 -1.586 1.00 0.61 H new ATOM 0 HA THR B 55 -10.653 -9.314 -0.882 1.00 0.77 H new ATOM 0 HB THR B 55 -8.249 -10.807 0.242 1.00 0.95 H new ATOM 0 HG1 THR B 55 -8.218 -11.132 -1.979 1.00 0.99 H new ATOM 0 HG21 THR B 55 -9.863 -12.618 0.656 1.00 1.15 H new ATOM 0 HG22 THR B 55 -10.295 -11.134 1.538 1.00 1.15 H new ATOM 0 HG23 THR B 55 -11.178 -11.579 0.057 1.00 1.15 H new ATOM 1704 N ALA B 56 -8.536 -8.102 1.315 1.00 0.76 N ATOM 1705 CA ALA B 56 -8.398 -7.447 2.612 1.00 0.87 C ATOM 1706 C ALA B 56 -9.294 -6.222 2.730 1.00 0.88 C ATOM 1707 O ALA B 56 -10.062 -6.092 3.674 1.00 1.14 O ATOM 1708 CB ALA B 56 -6.951 -7.054 2.852 1.00 0.89 C ATOM 0 H ALA B 56 -7.680 -8.110 0.760 1.00 0.76 H new ATOM 0 HA ALA B 56 -8.712 -8.162 3.372 1.00 0.87 H new ATOM 0 HB1 ALA B 56 -6.863 -6.567 3.823 1.00 0.89 H new ATOM 0 HB2 ALA B 56 -6.324 -7.946 2.835 1.00 0.89 H new ATOM 0 HB3 ALA B 56 -6.626 -6.367 2.070 1.00 0.89 H new ATOM 1714 N PHE B 57 -9.197 -5.320 1.771 1.00 0.76 N ATOM 1715 CA PHE B 57 -9.979 -4.103 1.808 1.00 1.05 C ATOM 1716 C PHE B 57 -11.387 -4.336 1.271 1.00 1.57 C ATOM 1717 O PHE B 57 -12.240 -3.448 1.328 1.00 2.06 O ATOM 1718 CB PHE B 57 -9.279 -3.015 1.005 1.00 1.04 C ATOM 1719 CG PHE B 57 -7.998 -2.521 1.622 1.00 0.92 C ATOM 1720 CD1 PHE B 57 -8.025 -1.611 2.664 1.00 1.49 C ATOM 1721 CD2 PHE B 57 -6.770 -2.946 1.143 1.00 1.47 C ATOM 1722 CE1 PHE B 57 -6.850 -1.134 3.218 1.00 1.50 C ATOM 1723 CE2 PHE B 57 -5.593 -2.468 1.686 1.00 1.47 C ATOM 1724 CZ PHE B 57 -5.633 -1.563 2.725 1.00 0.92 C ATOM 0 H PHE B 57 -8.585 -5.409 0.960 1.00 0.76 H new ATOM 0 HA PHE B 57 -10.067 -3.783 2.846 1.00 1.05 H new ATOM 0 HB2 PHE B 57 -9.065 -3.397 0.007 1.00 1.04 H new ATOM 0 HB3 PHE B 57 -9.960 -2.172 0.885 1.00 1.04 H new ATOM 0 HD1 PHE B 57 -8.974 -1.269 3.049 1.00 1.49 H new ATOM 0 HD2 PHE B 57 -6.732 -3.661 0.334 1.00 1.47 H new ATOM 0 HE1 PHE B 57 -6.884 -0.428 4.034 1.00 1.50 H new ATOM 0 HE2 PHE B 57 -4.643 -2.803 1.297 1.00 1.47 H new ATOM 0 HZ PHE B 57 -4.714 -1.190 3.153 1.00 0.92 H new ATOM 1734 N GLY B 58 -11.623 -5.538 0.756 1.00 1.71 N ATOM 1735 CA GLY B 58 -12.922 -5.878 0.208 1.00 2.29 C ATOM 1736 C GLY B 58 -13.196 -5.155 -1.093 1.00 2.05 C ATOM 1737 O GLY B 58 -14.351 -4.942 -1.468 1.00 2.60 O ATOM 0 H GLY B 58 -10.932 -6.287 0.709 1.00 1.71 H new ATOM 0 HA2 GLY B 58 -12.975 -6.954 0.043 1.00 2.29 H new ATOM 0 HA3 GLY B 58 -13.698 -5.628 0.932 1.00 2.29 H new ATOM 1741 N VAL B 59 -12.133 -4.791 -1.792 1.00 1.35 N ATOM 1742 CA VAL B 59 -12.257 -4.038 -3.026 1.00 1.13 C ATOM 1743 C VAL B 59 -12.244 -4.965 -4.229 1.00 1.04 C ATOM 1744 O VAL B 59 -11.844 -6.124 -4.131 1.00 1.22 O ATOM 1745 CB VAL B 59 -11.133 -2.988 -3.175 1.00 0.93 C ATOM 1746 CG1 VAL B 59 -11.216 -1.960 -2.061 1.00 1.23 C ATOM 1747 CG2 VAL B 59 -9.765 -3.650 -3.184 1.00 1.00 C ATOM 0 H VAL B 59 -11.173 -5.006 -1.524 1.00 1.35 H new ATOM 0 HA VAL B 59 -13.212 -3.515 -2.982 1.00 1.13 H new ATOM 0 HB VAL B 59 -11.270 -2.481 -4.130 1.00 0.93 H new ATOM 0 HG11 VAL B 59 -10.417 -1.228 -2.181 1.00 1.23 H new ATOM 0 HG12 VAL B 59 -12.181 -1.455 -2.104 1.00 1.23 H new ATOM 0 HG13 VAL B 59 -11.110 -2.458 -1.097 1.00 1.23 H new ATOM 0 HG21 VAL B 59 -8.993 -2.888 -3.290 1.00 1.00 H new ATOM 0 HG22 VAL B 59 -9.616 -4.190 -2.249 1.00 1.00 H new ATOM 0 HG23 VAL B 59 -9.704 -4.347 -4.020 1.00 1.00 H new ATOM 1757 N THR B 60 -12.708 -4.453 -5.349 1.00 1.17 N ATOM 1758 CA THR B 60 -12.744 -5.201 -6.588 1.00 1.30 C ATOM 1759 C THR B 60 -12.343 -4.301 -7.750 1.00 1.16 C ATOM 1760 O THR B 60 -11.922 -3.161 -7.536 1.00 1.14 O ATOM 1761 CB THR B 60 -14.153 -5.763 -6.847 1.00 1.94 C ATOM 1762 OG1 THR B 60 -15.125 -4.718 -6.686 1.00 2.24 O ATOM 1763 CG2 THR B 60 -14.473 -6.915 -5.904 1.00 2.38 C ATOM 0 H THR B 60 -13.072 -3.503 -5.426 1.00 1.17 H new ATOM 0 HA THR B 60 -12.042 -6.031 -6.504 1.00 1.30 H new ATOM 0 HB THR B 60 -14.186 -6.144 -7.868 1.00 1.94 H new ATOM 0 HG1 THR B 60 -14.704 -3.943 -6.258 1.00 2.24 H new ATOM 0 HG21 THR B 60 -15.475 -7.289 -6.113 1.00 2.38 H new ATOM 0 HG22 THR B 60 -13.749 -7.716 -6.050 1.00 2.38 H new ATOM 0 HG23 THR B 60 -14.424 -6.565 -4.873 1.00 2.38 H new ATOM 1771 N VAL B 61 -12.484 -4.791 -8.972 1.00 1.40 N ATOM 1772 CA VAL B 61 -12.214 -3.970 -10.142 1.00 1.59 C ATOM 1773 C VAL B 61 -13.285 -2.882 -10.275 1.00 1.83 C ATOM 1774 O VAL B 61 -13.063 -1.847 -10.899 1.00 2.11 O ATOM 1775 CB VAL B 61 -12.141 -4.821 -11.432 1.00 1.80 C ATOM 1776 CG1 VAL B 61 -13.496 -5.428 -11.772 1.00 2.21 C ATOM 1777 CG2 VAL B 61 -11.610 -3.997 -12.594 1.00 1.95 C ATOM 0 H VAL B 61 -12.781 -5.745 -9.179 1.00 1.40 H new ATOM 0 HA VAL B 61 -11.240 -3.500 -10.007 1.00 1.59 H new ATOM 0 HB VAL B 61 -11.446 -5.641 -11.250 1.00 1.80 H new ATOM 0 HG11 VAL B 61 -13.411 -6.020 -12.683 1.00 2.21 H new ATOM 0 HG12 VAL B 61 -13.824 -6.068 -10.953 1.00 2.21 H new ATOM 0 HG13 VAL B 61 -14.224 -4.631 -11.923 1.00 2.21 H new ATOM 0 HG21 VAL B 61 -11.568 -4.616 -13.490 1.00 1.95 H new ATOM 0 HG22 VAL B 61 -12.271 -3.149 -12.770 1.00 1.95 H new ATOM 0 HG23 VAL B 61 -10.610 -3.634 -12.356 1.00 1.95 H new ATOM 1787 N GLU B 62 -14.435 -3.108 -9.644 1.00 1.89 N ATOM 1788 CA GLU B 62 -15.496 -2.110 -9.599 1.00 2.15 C ATOM 1789 C GLU B 62 -15.027 -0.888 -8.821 1.00 1.63 C ATOM 1790 O GLU B 62 -15.333 0.256 -9.172 1.00 1.65 O ATOM 1791 CB GLU B 62 -16.745 -2.694 -8.944 1.00 2.86 C ATOM 1792 CG GLU B 62 -17.329 -3.877 -9.694 1.00 3.13 C ATOM 1793 CD GLU B 62 -18.582 -4.416 -9.038 1.00 3.56 C ATOM 1794 OE1 GLU B 62 -19.658 -3.802 -9.206 1.00 4.00 O ATOM 1795 OE2 GLU B 62 -18.500 -5.453 -8.345 1.00 3.97 O ATOM 0 H GLU B 62 -14.654 -3.977 -9.156 1.00 1.89 H new ATOM 0 HA GLU B 62 -15.740 -1.813 -10.619 1.00 2.15 H new ATOM 0 HB2 GLU B 62 -16.501 -3.004 -7.928 1.00 2.86 H new ATOM 0 HB3 GLU B 62 -17.503 -1.914 -8.866 1.00 2.86 H new ATOM 0 HG2 GLU B 62 -17.558 -3.578 -10.717 1.00 3.13 H new ATOM 0 HG3 GLU B 62 -16.583 -4.670 -9.753 1.00 3.13 H new ATOM 1802 N ASP B 63 -14.258 -1.140 -7.771 1.00 1.36 N ATOM 1803 CA ASP B 63 -13.680 -0.077 -6.967 1.00 1.61 C ATOM 1804 C ASP B 63 -12.566 0.612 -7.746 1.00 1.59 C ATOM 1805 O ASP B 63 -12.141 1.711 -7.409 1.00 1.93 O ATOM 1806 CB ASP B 63 -13.138 -0.641 -5.650 1.00 1.89 C ATOM 1807 CG ASP B 63 -14.201 -1.367 -4.849 1.00 2.88 C ATOM 1808 OD1 ASP B 63 -14.496 -2.536 -5.175 1.00 3.62 O ATOM 1809 OD2 ASP B 63 -14.743 -0.779 -3.889 1.00 3.35 O ATOM 0 H ASP B 63 -14.020 -2.080 -7.456 1.00 1.36 H new ATOM 0 HA ASP B 63 -14.455 0.654 -6.736 1.00 1.61 H new ATOM 0 HB2 ASP B 63 -12.317 -1.325 -5.862 1.00 1.89 H new ATOM 0 HB3 ASP B 63 -12.728 0.172 -5.051 1.00 1.89 H new ATOM 1814 N SER B 64 -12.096 -0.054 -8.791 1.00 1.56 N ATOM 1815 CA SER B 64 -11.110 0.522 -9.687 1.00 1.82 C ATOM 1816 C SER B 64 -11.805 1.295 -10.807 1.00 1.73 C ATOM 1817 O SER B 64 -11.173 2.063 -11.530 1.00 1.91 O ATOM 1818 CB SER B 64 -10.211 -0.575 -10.267 1.00 2.42 C ATOM 1819 OG SER B 64 -9.169 -0.028 -11.055 1.00 2.92 O ATOM 0 H SER B 64 -12.386 -1.000 -9.038 1.00 1.56 H new ATOM 0 HA SER B 64 -10.485 1.215 -9.123 1.00 1.82 H new ATOM 0 HB2 SER B 64 -9.784 -1.164 -9.455 1.00 2.42 H new ATOM 0 HB3 SER B 64 -10.809 -1.255 -10.874 1.00 2.42 H new ATOM 0 HG SER B 64 -9.430 0.863 -11.369 1.00 2.92 H new ATOM 1825 N ASP B 65 -13.110 1.078 -10.948 1.00 1.68 N ATOM 1826 CA ASP B 65 -13.904 1.791 -11.944 1.00 2.03 C ATOM 1827 C ASP B 65 -14.149 3.220 -11.488 1.00 1.91 C ATOM 1828 O ASP B 65 -14.175 4.148 -12.293 1.00 2.28 O ATOM 1829 CB ASP B 65 -15.239 1.079 -12.185 1.00 2.26 C ATOM 1830 CG ASP B 65 -16.132 1.832 -13.151 1.00 2.89 C ATOM 1831 OD1 ASP B 65 -15.952 1.681 -14.375 1.00 3.46 O ATOM 1832 OD2 ASP B 65 -17.023 2.575 -12.690 1.00 3.35 O ATOM 0 H ASP B 65 -13.640 0.413 -10.384 1.00 1.68 H new ATOM 0 HA ASP B 65 -13.349 1.806 -12.882 1.00 2.03 H new ATOM 0 HB2 ASP B 65 -15.049 0.079 -12.575 1.00 2.26 H new ATOM 0 HB3 ASP B 65 -15.759 0.957 -11.235 1.00 2.26 H new ATOM 1837 N LEU B 66 -14.296 3.388 -10.179 1.00 1.52 N ATOM 1838 CA LEU B 66 -14.451 4.712 -9.579 1.00 1.62 C ATOM 1839 C LEU B 66 -13.091 5.405 -9.438 1.00 1.45 C ATOM 1840 O LEU B 66 -12.898 6.256 -8.567 1.00 1.72 O ATOM 1841 CB LEU B 66 -15.171 4.608 -8.222 1.00 1.77 C ATOM 1842 CG LEU B 66 -14.561 3.642 -7.196 1.00 1.59 C ATOM 1843 CD1 LEU B 66 -13.561 4.352 -6.294 1.00 1.87 C ATOM 1844 CD2 LEU B 66 -15.654 2.992 -6.365 1.00 1.57 C ATOM 0 H LEU B 66 -14.311 2.620 -9.508 1.00 1.52 H new ATOM 0 HA LEU B 66 -15.067 5.323 -10.239 1.00 1.62 H new ATOM 0 HB2 LEU B 66 -15.205 5.602 -7.777 1.00 1.77 H new ATOM 0 HB3 LEU B 66 -16.202 4.305 -8.405 1.00 1.77 H new ATOM 0 HG LEU B 66 -14.026 2.866 -7.744 1.00 1.59 H new ATOM 0 HD11 LEU B 66 -13.147 3.641 -5.579 1.00 1.87 H new ATOM 0 HD12 LEU B 66 -12.756 4.768 -6.900 1.00 1.87 H new ATOM 0 HD13 LEU B 66 -14.063 5.156 -5.757 1.00 1.87 H new ATOM 0 HD21 LEU B 66 -15.205 2.310 -5.643 1.00 1.57 H new ATOM 0 HD22 LEU B 66 -16.216 3.762 -5.837 1.00 1.57 H new ATOM 0 HD23 LEU B 66 -16.326 2.437 -7.019 1.00 1.57 H new ATOM 1856 N ALA B 67 -12.168 5.025 -10.319 1.00 1.30 N ATOM 1857 CA ALA B 67 -10.788 5.495 -10.288 1.00 1.26 C ATOM 1858 C ALA B 67 -10.685 7.010 -10.164 1.00 1.28 C ATOM 1859 O ALA B 67 -11.389 7.761 -10.845 1.00 1.54 O ATOM 1860 CB ALA B 67 -10.057 5.027 -11.534 1.00 1.48 C ATOM 0 H ALA B 67 -12.361 4.376 -11.081 1.00 1.30 H new ATOM 0 HA ALA B 67 -10.323 5.069 -9.399 1.00 1.26 H new ATOM 0 HB1 ALA B 67 -9.026 5.381 -11.506 1.00 1.48 H new ATOM 0 HB2 ALA B 67 -10.066 3.938 -11.573 1.00 1.48 H new ATOM 0 HB3 ALA B 67 -10.553 5.426 -12.419 1.00 1.48 H new ATOM 1866 N LEU B 68 -9.803 7.435 -9.274 1.00 1.16 N ATOM 1867 CA LEU B 68 -9.516 8.844 -9.061 1.00 1.29 C ATOM 1868 C LEU B 68 -8.737 9.403 -10.252 1.00 1.56 C ATOM 1869 O LEU B 68 -8.159 8.629 -11.011 1.00 1.55 O ATOM 1870 CB LEU B 68 -8.711 9.011 -7.766 1.00 1.25 C ATOM 1871 CG LEU B 68 -9.409 8.504 -6.501 1.00 1.19 C ATOM 1872 CD1 LEU B 68 -8.492 8.626 -5.294 1.00 1.21 C ATOM 1873 CD2 LEU B 68 -10.705 9.263 -6.265 1.00 1.18 C ATOM 0 H LEU B 68 -9.263 6.809 -8.676 1.00 1.16 H new ATOM 0 HA LEU B 68 -10.451 9.397 -8.970 1.00 1.29 H new ATOM 0 HB2 LEU B 68 -7.762 8.485 -7.875 1.00 1.25 H new ATOM 0 HB3 LEU B 68 -8.477 10.067 -7.635 1.00 1.25 H new ATOM 0 HG LEU B 68 -9.648 7.450 -6.643 1.00 1.19 H new ATOM 0 HD11 LEU B 68 -9.008 8.260 -4.406 1.00 1.21 H new ATOM 0 HD12 LEU B 68 -7.592 8.034 -5.460 1.00 1.21 H new ATOM 0 HD13 LEU B 68 -8.218 9.671 -5.149 1.00 1.21 H new ATOM 0 HD21 LEU B 68 -11.187 8.889 -5.362 1.00 1.18 H new ATOM 0 HD22 LEU B 68 -10.489 10.325 -6.147 1.00 1.18 H new ATOM 0 HD23 LEU B 68 -11.370 9.121 -7.117 1.00 1.18 H new ATOM 1885 N PRO B 69 -8.721 10.740 -10.442 1.00 1.93 N ATOM 1886 CA PRO B 69 -8.044 11.384 -11.580 1.00 2.36 C ATOM 1887 C PRO B 69 -6.669 10.790 -11.889 1.00 2.25 C ATOM 1888 O PRO B 69 -6.317 10.585 -13.054 1.00 2.62 O ATOM 1889 CB PRO B 69 -7.911 12.831 -11.115 1.00 2.75 C ATOM 1890 CG PRO B 69 -9.106 13.053 -10.258 1.00 2.57 C ATOM 1891 CD PRO B 69 -9.380 11.739 -9.572 1.00 2.06 C ATOM 0 HA PRO B 69 -8.602 11.254 -12.507 1.00 2.36 H new ATOM 0 HB2 PRO B 69 -6.987 12.986 -10.558 1.00 2.75 H new ATOM 0 HB3 PRO B 69 -7.893 13.520 -11.959 1.00 2.75 H new ATOM 0 HG2 PRO B 69 -8.921 13.842 -9.529 1.00 2.57 H new ATOM 0 HG3 PRO B 69 -9.962 13.366 -10.856 1.00 2.57 H new ATOM 0 HD2 PRO B 69 -8.970 11.722 -8.562 1.00 2.06 H new ATOM 0 HD3 PRO B 69 -10.450 11.549 -9.485 1.00 2.06 H new ATOM 1899 N GLN B 70 -5.900 10.504 -10.849 1.00 1.85 N ATOM 1900 CA GLN B 70 -4.591 9.896 -11.019 1.00 1.82 C ATOM 1901 C GLN B 70 -4.413 8.755 -10.032 1.00 1.41 C ATOM 1902 O GLN B 70 -5.137 8.670 -9.037 1.00 1.29 O ATOM 1903 CB GLN B 70 -3.486 10.935 -10.828 1.00 1.93 C ATOM 1904 CG GLN B 70 -3.395 11.495 -9.416 1.00 1.65 C ATOM 1905 CD GLN B 70 -2.312 12.548 -9.297 1.00 2.18 C ATOM 1906 OE1 GLN B 70 -1.152 12.240 -9.025 1.00 2.66 O ATOM 1907 NE2 GLN B 70 -2.680 13.801 -9.508 1.00 2.76 N ATOM 0 H GLN B 70 -6.161 10.683 -9.879 1.00 1.85 H new ATOM 0 HA GLN B 70 -4.522 9.502 -12.033 1.00 1.82 H new ATOM 0 HB2 GLN B 70 -2.529 10.484 -11.090 1.00 1.93 H new ATOM 0 HB3 GLN B 70 -3.652 11.758 -11.523 1.00 1.93 H new ATOM 0 HG2 GLN B 70 -4.355 11.927 -9.134 1.00 1.65 H new ATOM 0 HG3 GLN B 70 -3.192 10.685 -8.716 1.00 1.65 H new ATOM 0 HE21 GLN B 70 -3.652 14.016 -9.731 1.00 2.76 H new ATOM 0 HE22 GLN B 70 -1.992 14.552 -9.447 1.00 2.76 H new ATOM 1916 N THR B 71 -3.456 7.880 -10.307 1.00 1.34 N ATOM 1917 CA THR B 71 -3.157 6.796 -9.396 1.00 1.13 C ATOM 1918 C THR B 71 -2.524 7.342 -8.125 1.00 0.85 C ATOM 1919 O THR B 71 -1.736 8.288 -8.157 1.00 0.83 O ATOM 1920 CB THR B 71 -2.213 5.773 -10.058 1.00 1.22 C ATOM 1921 OG1 THR B 71 -1.273 6.447 -10.912 1.00 1.53 O ATOM 1922 CG2 THR B 71 -2.999 4.753 -10.866 1.00 1.55 C ATOM 0 H THR B 71 -2.880 7.903 -11.148 1.00 1.34 H new ATOM 0 HA THR B 71 -4.090 6.292 -9.142 1.00 1.13 H new ATOM 0 HB THR B 71 -1.674 5.250 -9.269 1.00 1.22 H new ATOM 0 HG1 THR B 71 -0.677 5.789 -11.326 1.00 1.53 H new ATOM 0 HG21 THR B 71 -2.311 4.042 -11.323 1.00 1.55 H new ATOM 0 HG22 THR B 71 -3.687 4.221 -10.209 1.00 1.55 H new ATOM 0 HG23 THR B 71 -3.564 5.264 -11.646 1.00 1.55 H new ATOM 1930 N LEU B 72 -2.856 6.708 -7.012 1.00 0.80 N ATOM 1931 CA LEU B 72 -2.479 7.205 -5.697 1.00 0.66 C ATOM 1932 C LEU B 72 -1.002 6.979 -5.369 1.00 0.66 C ATOM 1933 O LEU B 72 -0.375 7.866 -4.803 1.00 0.67 O ATOM 1934 CB LEU B 72 -3.379 6.594 -4.625 1.00 0.78 C ATOM 1935 CG LEU B 72 -4.847 7.009 -4.709 1.00 0.97 C ATOM 1936 CD1 LEU B 72 -5.634 6.419 -3.551 1.00 1.47 C ATOM 1937 CD2 LEU B 72 -4.973 8.527 -4.732 1.00 1.79 C ATOM 0 H LEU B 72 -3.391 5.840 -6.993 1.00 0.80 H new ATOM 0 HA LEU B 72 -2.621 8.286 -5.713 1.00 0.66 H new ATOM 0 HB2 LEU B 72 -3.318 5.508 -4.695 1.00 0.78 H new ATOM 0 HB3 LEU B 72 -2.993 6.872 -3.644 1.00 0.78 H new ATOM 0 HG LEU B 72 -5.264 6.619 -5.638 1.00 0.97 H new ATOM 0 HD11 LEU B 72 -6.677 6.725 -3.627 1.00 1.47 H new ATOM 0 HD12 LEU B 72 -5.571 5.331 -3.585 1.00 1.47 H new ATOM 0 HD13 LEU B 72 -5.219 6.777 -2.609 1.00 1.47 H new ATOM 0 HD21 LEU B 72 -6.026 8.804 -4.792 1.00 1.79 H new ATOM 0 HD22 LEU B 72 -4.540 8.942 -3.822 1.00 1.79 H new ATOM 0 HD23 LEU B 72 -4.444 8.923 -5.599 1.00 1.79 H new ATOM 1949 N PRO B 73 -0.410 5.803 -5.681 1.00 0.75 N ATOM 1950 CA PRO B 73 1.034 5.600 -5.501 1.00 0.84 C ATOM 1951 C PRO B 73 1.857 6.684 -6.192 1.00 0.80 C ATOM 1952 O PRO B 73 2.927 7.058 -5.717 1.00 0.82 O ATOM 1953 CB PRO B 73 1.285 4.238 -6.141 1.00 1.03 C ATOM 1954 CG PRO B 73 -0.012 3.526 -6.002 1.00 1.06 C ATOM 1955 CD PRO B 73 -1.072 4.577 -6.168 1.00 0.84 C ATOM 0 HA PRO B 73 1.328 5.647 -4.452 1.00 0.84 H new ATOM 0 HB2 PRO B 73 1.575 4.337 -7.187 1.00 1.03 H new ATOM 0 HB3 PRO B 73 2.089 3.703 -5.636 1.00 1.03 H new ATOM 0 HG2 PRO B 73 -0.113 2.745 -6.756 1.00 1.06 H new ATOM 0 HG3 PRO B 73 -0.090 3.041 -5.029 1.00 1.06 H new ATOM 0 HD2 PRO B 73 -1.384 4.674 -7.208 1.00 0.84 H new ATOM 0 HD3 PRO B 73 -1.965 4.344 -5.588 1.00 0.84 H new ATOM 1963 N GLU B 74 1.334 7.197 -7.302 1.00 0.78 N ATOM 1964 CA GLU B 74 1.958 8.307 -8.014 1.00 0.78 C ATOM 1965 C GLU B 74 1.986 9.543 -7.117 1.00 0.64 C ATOM 1966 O GLU B 74 3.030 10.181 -6.936 1.00 0.64 O ATOM 1967 CB GLU B 74 1.177 8.590 -9.300 1.00 0.86 C ATOM 1968 CG GLU B 74 1.791 9.661 -10.184 1.00 1.21 C ATOM 1969 CD GLU B 74 0.999 9.881 -11.455 1.00 1.47 C ATOM 1970 OE1 GLU B 74 0.228 8.979 -11.847 1.00 2.27 O ATOM 1971 OE2 GLU B 74 1.150 10.952 -12.076 1.00 1.67 O ATOM 0 H GLU B 74 0.473 6.858 -7.730 1.00 0.78 H new ATOM 0 HA GLU B 74 2.983 8.047 -8.276 1.00 0.78 H new ATOM 0 HB2 GLU B 74 1.096 7.666 -9.872 1.00 0.86 H new ATOM 0 HB3 GLU B 74 0.163 8.891 -9.036 1.00 0.86 H new ATOM 0 HG2 GLU B 74 1.850 10.597 -9.629 1.00 1.21 H new ATOM 0 HG3 GLU B 74 2.812 9.377 -10.439 1.00 1.21 H new ATOM 1978 N ILE B 75 0.824 9.860 -6.547 1.00 0.58 N ATOM 1979 CA ILE B 75 0.703 10.916 -5.547 1.00 0.53 C ATOM 1980 C ILE B 75 1.692 10.694 -4.416 1.00 0.49 C ATOM 1981 O ILE B 75 2.382 11.618 -3.979 1.00 0.53 O ATOM 1982 CB ILE B 75 -0.724 10.958 -4.948 1.00 0.60 C ATOM 1983 CG1 ILE B 75 -1.729 11.430 -5.996 1.00 0.74 C ATOM 1984 CG2 ILE B 75 -0.780 11.844 -3.705 1.00 0.68 C ATOM 1985 CD1 ILE B 75 -3.148 11.497 -5.481 1.00 1.37 C ATOM 0 H ILE B 75 -0.056 9.393 -6.766 1.00 0.58 H new ATOM 0 HA ILE B 75 0.913 11.861 -6.048 1.00 0.53 H new ATOM 0 HB ILE B 75 -0.990 9.946 -4.643 1.00 0.60 H new ATOM 0 HG12 ILE B 75 -1.433 12.416 -6.353 1.00 0.74 H new ATOM 0 HG13 ILE B 75 -1.693 10.757 -6.852 1.00 0.74 H new ATOM 0 HG21 ILE B 75 -1.796 11.852 -3.309 1.00 0.68 H new ATOM 0 HG22 ILE B 75 -0.099 11.454 -2.949 1.00 0.68 H new ATOM 0 HG23 ILE B 75 -0.486 12.860 -3.969 1.00 0.68 H new ATOM 0 HD11 ILE B 75 -3.808 11.840 -6.278 1.00 1.37 H new ATOM 0 HD12 ILE B 75 -3.462 10.507 -5.150 1.00 1.37 H new ATOM 0 HD13 ILE B 75 -3.199 12.193 -4.643 1.00 1.37 H new ATOM 1997 N PHE B 76 1.770 9.454 -3.962 1.00 0.50 N ATOM 1998 CA PHE B 76 2.580 9.122 -2.812 1.00 0.56 C ATOM 1999 C PHE B 76 4.059 9.294 -3.111 1.00 0.59 C ATOM 2000 O PHE B 76 4.813 9.708 -2.246 1.00 0.72 O ATOM 2001 CB PHE B 76 2.307 7.694 -2.342 1.00 0.65 C ATOM 2002 CG PHE B 76 2.030 7.492 -0.862 1.00 2.05 C ATOM 2003 CD1 PHE B 76 2.113 8.550 0.049 1.00 2.34 C ATOM 2004 CD2 PHE B 76 1.662 6.250 -0.383 1.00 2.12 C ATOM 2005 CE1 PHE B 76 1.831 8.352 1.384 1.00 2.34 C ATOM 2006 CE2 PHE B 76 1.385 6.054 0.953 1.00 2.24 C ATOM 2007 CZ PHE B 76 1.468 7.146 1.832 1.00 2.37 C ATOM 0 H PHE B 76 1.279 8.662 -4.377 1.00 0.50 H new ATOM 0 HA PHE B 76 2.306 9.812 -2.014 1.00 0.56 H new ATOM 0 HB2 PHE B 76 1.453 7.312 -2.901 1.00 0.65 H new ATOM 0 HB3 PHE B 76 3.166 7.079 -2.612 1.00 0.65 H new ATOM 0 HD1 PHE B 76 2.401 9.532 -0.297 1.00 2.34 H new ATOM 0 HD2 PHE B 76 1.590 5.418 -1.067 1.00 2.12 H new ATOM 0 HE1 PHE B 76 1.904 9.179 2.074 1.00 2.34 H new ATOM 0 HE2 PHE B 76 1.108 5.076 1.318 1.00 2.24 H new ATOM 0 HZ PHE B 76 1.237 7.010 2.878 1.00 2.37 H new ATOM 2017 N GLU B 77 4.480 8.995 -4.333 1.00 0.62 N ATOM 2018 CA GLU B 77 5.881 9.171 -4.696 1.00 0.73 C ATOM 2019 C GLU B 77 6.271 10.645 -4.624 1.00 0.69 C ATOM 2020 O GLU B 77 7.435 10.981 -4.412 1.00 0.79 O ATOM 2021 CB GLU B 77 6.177 8.603 -6.086 1.00 0.89 C ATOM 2022 CG GLU B 77 5.980 7.097 -6.179 1.00 1.56 C ATOM 2023 CD GLU B 77 6.632 6.495 -7.407 1.00 1.93 C ATOM 2024 OE1 GLU B 77 6.168 6.771 -8.529 1.00 2.40 O ATOM 2025 OE2 GLU B 77 7.612 5.736 -7.250 1.00 2.51 O ATOM 0 H GLU B 77 3.884 8.636 -5.079 1.00 0.62 H new ATOM 0 HA GLU B 77 6.482 8.615 -3.977 1.00 0.73 H new ATOM 0 HB2 GLU B 77 5.531 9.092 -6.815 1.00 0.89 H new ATOM 0 HB3 GLU B 77 7.205 8.845 -6.358 1.00 0.89 H new ATOM 0 HG2 GLU B 77 6.391 6.625 -5.287 1.00 1.56 H new ATOM 0 HG3 GLU B 77 4.913 6.875 -6.194 1.00 1.56 H new ATOM 2032 N ALA B 78 5.291 11.521 -4.788 1.00 0.60 N ATOM 2033 CA ALA B 78 5.525 12.953 -4.665 1.00 0.61 C ATOM 2034 C ALA B 78 5.386 13.420 -3.212 1.00 0.60 C ATOM 2035 O ALA B 78 6.001 14.405 -2.807 1.00 0.64 O ATOM 2036 CB ALA B 78 4.573 13.721 -5.568 1.00 0.64 C ATOM 0 H ALA B 78 4.328 11.267 -5.006 1.00 0.60 H new ATOM 0 HA ALA B 78 6.549 13.155 -4.980 1.00 0.61 H new ATOM 0 HB1 ALA B 78 4.758 14.790 -5.467 1.00 0.64 H new ATOM 0 HB2 ALA B 78 4.733 13.422 -6.604 1.00 0.64 H new ATOM 0 HB3 ALA B 78 3.544 13.502 -5.282 1.00 0.64 H new ATOM 2042 N ALA B 79 4.569 12.717 -2.435 1.00 0.64 N ATOM 2043 CA ALA B 79 4.329 13.080 -1.038 1.00 0.75 C ATOM 2044 C ALA B 79 5.288 12.369 -0.086 1.00 0.86 C ATOM 2045 O ALA B 79 6.077 13.005 0.613 1.00 0.99 O ATOM 2046 CB ALA B 79 2.894 12.758 -0.647 1.00 0.83 C ATOM 0 H ALA B 79 4.060 11.890 -2.747 1.00 0.64 H new ATOM 0 HA ALA B 79 4.504 14.152 -0.952 1.00 0.75 H new ATOM 0 HB1 ALA B 79 2.730 13.033 0.395 1.00 0.83 H new ATOM 0 HB2 ALA B 79 2.209 13.319 -1.283 1.00 0.83 H new ATOM 0 HB3 ALA B 79 2.713 11.690 -0.773 1.00 0.83 H new ATOM 2052 N ALA B 80 5.216 11.043 -0.088 1.00 0.90 N ATOM 2053 CA ALA B 80 5.909 10.205 0.881 1.00 1.11 C ATOM 2054 C ALA B 80 7.420 10.403 0.835 1.00 1.26 C ATOM 2055 O ALA B 80 8.017 10.851 1.814 1.00 1.55 O ATOM 2056 CB ALA B 80 5.545 8.743 0.647 1.00 1.25 C ATOM 0 H ALA B 80 4.670 10.515 -0.769 1.00 0.90 H new ATOM 0 HA ALA B 80 5.584 10.503 1.878 1.00 1.11 H new ATOM 0 HB1 ALA B 80 6.065 8.118 1.373 1.00 1.25 H new ATOM 0 HB2 ALA B 80 4.469 8.613 0.761 1.00 1.25 H new ATOM 0 HB3 ALA B 80 5.841 8.451 -0.361 1.00 1.25 H new ATOM 2062 N THR B 81 8.042 10.078 -0.291 1.00 1.23 N ATOM 2063 CA THR B 81 9.481 10.268 -0.432 1.00 1.46 C ATOM 2064 C THR B 81 9.784 11.663 -0.978 1.00 1.63 C ATOM 2065 O THR B 81 10.945 12.037 -1.156 1.00 1.88 O ATOM 2066 CB THR B 81 10.126 9.198 -1.345 1.00 1.59 C ATOM 2067 OG1 THR B 81 11.553 9.221 -1.197 1.00 2.33 O ATOM 2068 CG2 THR B 81 9.771 9.439 -2.804 1.00 1.64 C ATOM 0 H THR B 81 7.580 9.686 -1.112 1.00 1.23 H new ATOM 0 HA THR B 81 9.915 10.162 0.562 1.00 1.46 H new ATOM 0 HB THR B 81 9.739 8.224 -1.046 1.00 1.59 H new ATOM 0 HG1 THR B 81 11.846 10.133 -0.989 1.00 2.33 H new ATOM 0 HG21 THR B 81 10.237 8.673 -3.423 1.00 1.64 H new ATOM 0 HG22 THR B 81 8.689 9.396 -2.927 1.00 1.64 H new ATOM 0 HG23 THR B 81 10.132 10.421 -3.109 1.00 1.64 H new ATOM 2076 N GLY B 82 8.733 12.427 -1.241 1.00 1.68 N ATOM 2077 CA GLY B 82 8.904 13.780 -1.727 1.00 2.13 C ATOM 2078 C GLY B 82 9.303 14.726 -0.617 1.00 1.99 C ATOM 2079 O GLY B 82 10.026 15.697 -0.843 1.00 2.59 O ATOM 0 H GLY B 82 7.763 12.133 -1.126 1.00 1.68 H new ATOM 0 HA2 GLY B 82 9.665 13.793 -2.507 1.00 2.13 H new ATOM 0 HA3 GLY B 82 7.975 14.124 -2.182 1.00 2.13 H new ATOM 2083 N LYS B 83 8.834 14.436 0.587 1.00 1.88 N ATOM 2084 CA LYS B 83 9.164 15.236 1.753 1.00 2.11 C ATOM 2085 C LYS B 83 10.027 14.422 2.714 1.00 2.84 C ATOM 2086 O LYS B 83 11.271 14.517 2.619 1.00 3.19 O ATOM 2087 CB LYS B 83 7.883 15.714 2.443 1.00 2.30 C ATOM 2088 CG LYS B 83 8.120 16.586 3.664 1.00 2.77 C ATOM 2089 CD LYS B 83 6.810 17.098 4.237 1.00 3.43 C ATOM 2090 CE LYS B 83 7.029 17.877 5.521 1.00 3.92 C ATOM 2091 NZ LYS B 83 5.758 18.434 6.055 1.00 4.40 N ATOM 2092 OXT LYS B 83 9.465 13.672 3.539 1.00 3.61 O ATOM 0 H LYS B 83 8.219 13.646 0.781 1.00 1.88 H new ATOM 0 HA LYS B 83 9.730 16.113 1.438 1.00 2.11 H new ATOM 0 HB2 LYS B 83 7.283 16.271 1.724 1.00 2.30 H new ATOM 0 HB3 LYS B 83 7.298 14.844 2.740 1.00 2.30 H new ATOM 0 HG2 LYS B 83 8.654 16.015 4.424 1.00 2.77 H new ATOM 0 HG3 LYS B 83 8.756 17.429 3.394 1.00 2.77 H new ATOM 0 HD2 LYS B 83 6.316 17.735 3.504 1.00 3.43 H new ATOM 0 HD3 LYS B 83 6.143 16.258 4.430 1.00 3.43 H new ATOM 0 HE2 LYS B 83 7.482 17.225 6.268 1.00 3.92 H new ATOM 0 HE3 LYS B 83 7.733 18.689 5.337 1.00 3.92 H new ATOM 0 HZ1 LYS B 83 5.950 18.959 6.932 1.00 4.40 H new ATOM 0 HZ2 LYS B 83 5.338 19.076 5.353 1.00 4.40 H new ATOM 0 HZ3 LYS B 83 5.095 17.658 6.254 1.00 4.40 H new