USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 774 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 TYR OH : rot -102:sc= 1.24 USER MOD Set 1.2: A 71 ASN : amide:sc= 1.13 K(o=2.4,f=-2.5) USER MOD Set 2.1: A 24 SER OG : rot 180:sc= 0.254 USER MOD Set 2.2: A 55 GLN : amide:sc= -3.4! C(o=-3.1!,f=-3.6!) USER MOD Single : A 3 THR OG1 : rot 48:sc= 1.29 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.0888 USER MOD Single : A 20 CYS SG : rot -170:sc= -0.0147 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.393 USER MOD Single : A 22 THR OG1 : rot -97:sc= -0.729 USER MOD Single : A 26 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.0045) USER MOD Single : A 29 THR OG1 : rot 138:sc= 1.67 USER MOD Single : A 30 GLN : amide:sc= -4.93! C(o=-4.9!,f=-6.7!) USER MOD Single : A 31 THR OG1 : rot -72:sc= 0.675 USER MOD Single : A 33 THR OG1 : rot -12:sc= 0.12 USER MOD Single : A 35 SER OG : rot 80:sc= 0.968 USER MOD Single : A 36 ASN : amide:sc= -2.62 K(o=-2.6,f=-3.2!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.788 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0294 USER MOD Single : A 65 THR OG1 : rot -160:sc= -0.22 USER MOD Single : A 72 THR OG1 : rot 104:sc= 1.28 USER MOD Single : A 77 HIS : no HD1:sc= -0.522 X(o=-0.52,f=-0.85) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= -0.606 USER MOD Single : A 89 SER OG : rot -35:sc= 1.18 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 22:sc= 0.153 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 4.752 -0.751 -1.751 1.00 71.20 N ATOM 2 CA PRO A 1 4.478 -1.936 -0.933 1.00 24.41 C ATOM 3 C PRO A 1 4.000 -3.119 -1.768 1.00 21.31 C ATOM 4 O PRO A 1 3.139 -3.889 -1.338 1.00 5.53 O ATOM 5 CB PRO A 1 3.370 -1.467 0.013 1.00 43.42 C ATOM 6 CG PRO A 1 2.696 -0.356 -0.716 1.00 74.31 C ATOM 7 CD PRO A 1 3.768 0.321 -1.524 1.00 21.31 C ATOM 0 H2 PRO A 1 4.747 -1.012 -2.737 1.00 71.20 H new ATOM 0 H3 PRO A 1 5.687 -0.403 -1.539 1.00 71.20 H new ATOM 0 HA PRO A 1 5.372 -2.292 -0.421 1.00 24.41 H new ATOM 0 HB2 PRO A 1 2.673 -2.274 0.237 1.00 43.42 H new ATOM 0 HB3 PRO A 1 3.779 -1.126 0.964 1.00 43.42 H new ATOM 0 HG2 PRO A 1 1.904 -0.737 -1.360 1.00 74.31 H new ATOM 0 HG3 PRO A 1 2.233 0.343 -0.020 1.00 74.31 H new ATOM 0 HD2 PRO A 1 3.377 0.713 -2.463 1.00 21.31 H new ATOM 0 HD3 PRO A 1 4.206 1.162 -0.986 1.00 21.31 H new ATOM 15 N LEU A 2 4.563 -3.260 -2.963 1.00 52.20 N ATOM 16 CA LEU A 2 4.194 -4.350 -3.859 1.00 31.51 C ATOM 17 C LEU A 2 5.091 -4.369 -5.093 1.00 14.33 C ATOM 18 O LEU A 2 4.678 -3.965 -6.180 1.00 52.53 O ATOM 19 CB LEU A 2 2.730 -4.217 -4.281 1.00 35.13 C ATOM 20 CG LEU A 2 2.071 -5.483 -4.829 1.00 61.53 C ATOM 21 CD1 LEU A 2 0.833 -5.835 -4.019 1.00 52.05 C ATOM 22 CD2 LEU A 2 1.717 -5.307 -6.299 1.00 3.13 C ATOM 0 H LEU A 2 5.277 -2.633 -3.334 1.00 52.20 H new ATOM 0 HA LEU A 2 4.327 -5.289 -3.322 1.00 31.51 H new ATOM 0 HB2 LEU A 2 2.155 -3.875 -3.421 1.00 35.13 H new ATOM 0 HB3 LEU A 2 2.661 -3.438 -5.040 1.00 35.13 H new ATOM 0 HG LEU A 2 2.782 -6.305 -4.743 1.00 61.53 H new ATOM 0 HD11 LEU A 2 0.378 -6.739 -4.424 1.00 52.05 H new ATOM 0 HD12 LEU A 2 1.114 -6.005 -2.980 1.00 52.05 H new ATOM 0 HD13 LEU A 2 0.118 -5.014 -4.072 1.00 52.05 H new ATOM 0 HD21 LEU A 2 1.249 -6.218 -6.672 1.00 3.13 H new ATOM 0 HD22 LEU A 2 1.025 -4.472 -6.409 1.00 3.13 H new ATOM 0 HD23 LEU A 2 2.623 -5.105 -6.870 1.00 3.13 H new ATOM 34 N THR A 3 6.320 -4.842 -4.917 1.00 64.33 N ATOM 35 CA THR A 3 7.276 -4.915 -6.016 1.00 15.43 C ATOM 36 C THR A 3 7.191 -6.259 -6.730 1.00 40.42 C ATOM 37 O THR A 3 6.568 -7.198 -6.234 1.00 42.33 O ATOM 38 CB THR A 3 8.718 -4.699 -5.521 1.00 2.11 C ATOM 39 OG1 THR A 3 9.524 -4.164 -6.577 1.00 74.33 O ATOM 40 CG2 THR A 3 9.322 -6.005 -5.027 1.00 70.03 C ATOM 0 H THR A 3 6.678 -5.181 -4.024 1.00 64.33 H new ATOM 0 HA THR A 3 7.017 -4.119 -6.714 1.00 15.43 H new ATOM 0 HB THR A 3 8.692 -3.993 -4.691 1.00 2.11 H new ATOM 0 HG1 THR A 3 9.056 -3.412 -6.997 1.00 74.33 H new ATOM 0 HG21 THR A 3 10.341 -5.827 -4.682 1.00 70.03 H new ATOM 0 HG22 THR A 3 8.723 -6.394 -4.204 1.00 70.03 H new ATOM 0 HG23 THR A 3 9.335 -6.730 -5.841 1.00 70.03 H new ATOM 48 N ARG A 4 7.822 -6.344 -7.897 1.00 13.11 N ATOM 49 CA ARG A 4 7.817 -7.574 -8.680 1.00 10.23 C ATOM 50 C ARG A 4 8.704 -8.633 -8.033 1.00 65.30 C ATOM 51 O ARG A 4 9.711 -8.329 -7.392 1.00 54.31 O ATOM 52 CB ARG A 4 8.293 -7.297 -10.107 1.00 54.21 C ATOM 53 CG ARG A 4 7.215 -7.503 -11.159 1.00 12.41 C ATOM 54 CD ARG A 4 7.011 -6.252 -12.000 1.00 31.03 C ATOM 55 NE ARG A 4 6.134 -6.497 -13.142 1.00 21.14 N ATOM 56 CZ ARG A 4 6.540 -7.067 -14.271 1.00 10.31 C ATOM 57 NH1 ARG A 4 7.802 -7.448 -14.408 1.00 63.34 N ATOM 58 NH2 ARG A 4 5.682 -7.256 -15.265 1.00 63.14 N ATOM 0 H ARG A 4 8.343 -5.576 -8.321 1.00 13.11 H new ATOM 0 HA ARG A 4 6.795 -7.951 -8.712 1.00 10.23 H new ATOM 0 HB2 ARG A 4 8.656 -6.271 -10.167 1.00 54.21 H new ATOM 0 HB3 ARG A 4 9.138 -7.948 -10.332 1.00 54.21 H new ATOM 0 HG2 ARG A 4 7.490 -8.336 -11.805 1.00 12.41 H new ATOM 0 HG3 ARG A 4 6.277 -7.773 -10.673 1.00 12.41 H new ATOM 0 HD2 ARG A 4 6.586 -5.463 -11.379 1.00 31.03 H new ATOM 0 HD3 ARG A 4 7.977 -5.893 -12.355 1.00 31.03 H new ATOM 0 HE ARG A 4 5.157 -6.215 -13.069 1.00 21.14 H new ATOM 0 HH11 ARG A 4 8.464 -7.304 -13.645 1.00 63.34 H new ATOM 0 HH12 ARG A 4 8.111 -7.885 -15.276 1.00 63.34 H new ATOM 0 HH21 ARG A 4 4.710 -6.964 -15.162 1.00 63.14 H new ATOM 0 HH22 ARG A 4 5.994 -7.694 -16.132 1.00 63.14 H new ATOM 72 N PRO A 5 8.324 -9.908 -8.203 1.00 64.34 N ATOM 73 CA PRO A 5 9.072 -11.039 -7.644 1.00 53.42 C ATOM 74 C PRO A 5 10.415 -11.244 -8.335 1.00 63.14 C ATOM 75 O PRO A 5 10.565 -12.137 -9.170 1.00 31.01 O ATOM 76 CB PRO A 5 8.151 -12.234 -7.900 1.00 35.14 C ATOM 77 CG PRO A 5 7.324 -11.832 -9.072 1.00 44.03 C ATOM 78 CD PRO A 5 7.136 -10.345 -8.956 1.00 0.34 C ATOM 0 HA PRO A 5 9.314 -10.888 -6.592 1.00 53.42 H new ATOM 0 HB2 PRO A 5 8.724 -13.137 -8.111 1.00 35.14 H new ATOM 0 HB3 PRO A 5 7.529 -12.447 -7.031 1.00 35.14 H new ATOM 0 HG2 PRO A 5 7.821 -12.091 -10.007 1.00 44.03 H new ATOM 0 HG3 PRO A 5 6.364 -12.348 -9.068 1.00 44.03 H new ATOM 0 HD2 PRO A 5 7.084 -9.869 -9.935 1.00 0.34 H new ATOM 0 HD3 PRO A 5 6.214 -10.096 -8.431 1.00 0.34 H new ATOM 86 N TYR A 6 11.390 -10.413 -7.983 1.00 33.11 N ATOM 87 CA TYR A 6 12.721 -10.503 -8.571 1.00 52.22 C ATOM 88 C TYR A 6 13.785 -10.666 -7.490 1.00 34.21 C ATOM 89 O TYR A 6 13.861 -9.872 -6.552 1.00 14.52 O ATOM 90 CB TYR A 6 13.016 -9.257 -9.409 1.00 21.33 C ATOM 91 CG TYR A 6 13.233 -9.552 -10.876 1.00 1.42 C ATOM 92 CD1 TYR A 6 14.450 -10.043 -11.333 1.00 52.23 C ATOM 93 CD2 TYR A 6 12.222 -9.338 -11.805 1.00 3.34 C ATOM 94 CE1 TYR A 6 14.653 -10.313 -12.673 1.00 0.41 C ATOM 95 CE2 TYR A 6 12.416 -9.606 -13.146 1.00 21.02 C ATOM 96 CZ TYR A 6 13.633 -10.093 -13.575 1.00 61.00 C ATOM 97 OH TYR A 6 13.831 -10.360 -14.910 1.00 75.24 O ATOM 0 H TYR A 6 11.283 -9.669 -7.293 1.00 33.11 H new ATOM 0 HA TYR A 6 12.747 -11.382 -9.216 1.00 52.22 H new ATOM 0 HB2 TYR A 6 12.188 -8.556 -9.307 1.00 21.33 H new ATOM 0 HB3 TYR A 6 13.903 -8.763 -9.011 1.00 21.33 H new ATOM 0 HD1 TYR A 6 15.251 -10.216 -10.629 1.00 52.23 H new ATOM 0 HD2 TYR A 6 11.268 -8.956 -11.473 1.00 3.34 H new ATOM 0 HE1 TYR A 6 15.605 -10.694 -13.012 1.00 0.41 H new ATOM 0 HE2 TYR A 6 11.619 -9.435 -13.855 1.00 21.02 H new ATOM 0 HH TYR A 6 13.014 -10.152 -15.410 1.00 75.24 H new ATOM 107 N LEU A 7 14.605 -11.702 -7.628 1.00 51.21 N ATOM 108 CA LEU A 7 15.666 -11.971 -6.664 1.00 63.22 C ATOM 109 C LEU A 7 16.989 -11.369 -7.128 1.00 72.32 C ATOM 110 O LEU A 7 17.474 -11.675 -8.217 1.00 31.24 O ATOM 111 CB LEU A 7 15.824 -13.479 -6.457 1.00 54.41 C ATOM 112 CG LEU A 7 16.056 -14.309 -7.720 1.00 2.11 C ATOM 113 CD1 LEU A 7 17.496 -14.796 -7.781 1.00 14.11 C ATOM 114 CD2 LEU A 7 15.091 -15.484 -7.771 1.00 30.23 C ATOM 0 H LEU A 7 14.556 -12.369 -8.398 1.00 51.21 H new ATOM 0 HA LEU A 7 15.389 -11.507 -5.717 1.00 63.22 H new ATOM 0 HB2 LEU A 7 16.660 -13.647 -5.778 1.00 54.41 H new ATOM 0 HB3 LEU A 7 14.929 -13.853 -5.960 1.00 54.41 H new ATOM 0 HG LEU A 7 15.871 -13.675 -8.587 1.00 2.11 H new ATOM 0 HD11 LEU A 7 17.643 -15.385 -8.686 1.00 14.11 H new ATOM 0 HD12 LEU A 7 18.170 -13.939 -7.792 1.00 14.11 H new ATOM 0 HD13 LEU A 7 17.709 -15.413 -6.908 1.00 14.11 H new ATOM 0 HD21 LEU A 7 15.271 -16.063 -8.677 1.00 30.23 H new ATOM 0 HD22 LEU A 7 15.244 -16.118 -6.898 1.00 30.23 H new ATOM 0 HD23 LEU A 7 14.066 -15.113 -7.775 1.00 30.23 H new ATOM 126 N GLY A 8 17.569 -10.512 -6.293 1.00 73.40 N ATOM 127 CA GLY A 8 18.831 -9.883 -6.634 1.00 51.23 C ATOM 128 C GLY A 8 19.913 -10.161 -5.610 1.00 63.44 C ATOM 129 O GLY A 8 20.727 -9.290 -5.304 1.00 44.02 O ATOM 0 H GLY A 8 17.187 -10.242 -5.386 1.00 73.40 H new ATOM 0 HA2 GLY A 8 19.159 -10.240 -7.610 1.00 51.23 H new ATOM 0 HA3 GLY A 8 18.685 -8.806 -6.720 1.00 51.23 H new ATOM 133 N PHE A 9 19.923 -11.379 -5.078 1.00 14.22 N ATOM 134 CA PHE A 9 20.912 -11.769 -4.080 1.00 33.22 C ATOM 135 C PHE A 9 20.985 -13.288 -3.952 1.00 44.12 C ATOM 136 O PHE A 9 20.160 -14.009 -4.512 1.00 73.30 O ATOM 137 CB PHE A 9 20.571 -11.148 -2.723 1.00 63.15 C ATOM 138 CG PHE A 9 19.198 -11.504 -2.229 1.00 4.41 C ATOM 139 CD1 PHE A 9 18.080 -10.847 -2.716 1.00 43.43 C ATOM 140 CD2 PHE A 9 19.026 -12.495 -1.276 1.00 1.30 C ATOM 141 CE1 PHE A 9 16.815 -11.172 -2.264 1.00 4.44 C ATOM 142 CE2 PHE A 9 17.764 -12.824 -0.820 1.00 32.31 C ATOM 143 CZ PHE A 9 16.657 -12.161 -1.313 1.00 62.13 C ATOM 0 H PHE A 9 19.257 -12.113 -5.321 1.00 14.22 H new ATOM 0 HA PHE A 9 21.885 -11.402 -4.406 1.00 33.22 H new ATOM 0 HB2 PHE A 9 21.308 -11.472 -1.988 1.00 63.15 H new ATOM 0 HB3 PHE A 9 20.652 -10.064 -2.798 1.00 63.15 H new ATOM 0 HD1 PHE A 9 18.198 -10.071 -3.458 1.00 43.43 H new ATOM 0 HD2 PHE A 9 19.888 -13.016 -0.885 1.00 1.30 H new ATOM 0 HE1 PHE A 9 15.952 -10.653 -2.654 1.00 4.44 H new ATOM 0 HE2 PHE A 9 17.643 -13.600 -0.078 1.00 32.31 H new ATOM 0 HZ PHE A 9 15.670 -12.415 -0.956 1.00 62.13 H new ATOM 153 N ARG A 10 21.981 -13.766 -3.212 1.00 55.13 N ATOM 154 CA ARG A 10 22.164 -15.198 -3.012 1.00 61.32 C ATOM 155 C ARG A 10 21.931 -15.578 -1.553 1.00 3.44 C ATOM 156 O ARG A 10 22.351 -14.865 -0.641 1.00 22.45 O ATOM 157 CB ARG A 10 23.571 -15.619 -3.441 1.00 40.43 C ATOM 158 CG ARG A 10 23.803 -15.529 -4.941 1.00 34.22 C ATOM 159 CD ARG A 10 24.993 -16.371 -5.372 1.00 22.42 C ATOM 160 NE ARG A 10 24.641 -17.316 -6.428 1.00 64.43 N ATOM 161 CZ ARG A 10 25.537 -18.011 -7.121 1.00 70.10 C ATOM 162 NH1 ARG A 10 26.831 -17.868 -6.870 1.00 11.43 N ATOM 163 NH2 ARG A 10 25.139 -18.852 -8.067 1.00 52.12 N ATOM 0 H ARG A 10 22.673 -13.182 -2.742 1.00 55.13 H new ATOM 0 HA ARG A 10 21.432 -15.721 -3.627 1.00 61.32 H new ATOM 0 HB2 ARG A 10 24.301 -14.990 -2.931 1.00 40.43 H new ATOM 0 HB3 ARG A 10 23.750 -16.644 -3.115 1.00 40.43 H new ATOM 0 HG2 ARG A 10 22.910 -15.862 -5.469 1.00 34.22 H new ATOM 0 HG3 ARG A 10 23.970 -14.489 -5.223 1.00 34.22 H new ATOM 0 HD2 ARG A 10 25.792 -15.717 -5.722 1.00 22.42 H new ATOM 0 HD3 ARG A 10 25.381 -16.917 -4.512 1.00 22.42 H new ATOM 0 HE ARG A 10 23.654 -17.450 -6.646 1.00 64.43 H new ATOM 0 HH11 ARG A 10 27.141 -17.223 -6.143 1.00 11.43 H new ATOM 0 HH12 ARG A 10 27.516 -18.403 -7.404 1.00 11.43 H new ATOM 0 HH21 ARG A 10 24.144 -18.966 -8.263 1.00 52.12 H new ATOM 0 HH22 ARG A 10 25.828 -19.385 -8.598 1.00 52.12 H new ATOM 177 N VAL A 11 21.259 -16.704 -1.339 1.00 75.13 N ATOM 178 CA VAL A 11 20.970 -17.179 0.009 1.00 40.33 C ATOM 179 C VAL A 11 21.430 -18.620 0.194 1.00 22.21 C ATOM 180 O VAL A 11 20.930 -19.532 -0.465 1.00 3.44 O ATOM 181 CB VAL A 11 19.466 -17.087 0.326 1.00 13.32 C ATOM 182 CG1 VAL A 11 19.071 -15.649 0.629 1.00 34.44 C ATOM 183 CG2 VAL A 11 18.643 -17.643 -0.827 1.00 4.54 C ATOM 0 H VAL A 11 20.904 -17.305 -2.083 1.00 75.13 H new ATOM 0 HA VAL A 11 21.518 -16.535 0.696 1.00 40.33 H new ATOM 0 HB VAL A 11 19.262 -17.689 1.211 1.00 13.32 H new ATOM 0 HG11 VAL A 11 18.005 -15.604 0.851 1.00 34.44 H new ATOM 0 HG12 VAL A 11 19.636 -15.290 1.489 1.00 34.44 H new ATOM 0 HG13 VAL A 11 19.289 -15.022 -0.236 1.00 34.44 H new ATOM 0 HG21 VAL A 11 17.583 -17.570 -0.586 1.00 4.54 H new ATOM 0 HG22 VAL A 11 18.850 -17.070 -1.731 1.00 4.54 H new ATOM 0 HG23 VAL A 11 18.906 -18.688 -0.991 1.00 4.54 H new ATOM 193 N ALA A 12 22.386 -18.819 1.096 1.00 60.22 N ATOM 194 CA ALA A 12 22.912 -20.150 1.370 1.00 23.51 C ATOM 195 C ALA A 12 22.456 -20.650 2.737 1.00 62.23 C ATOM 196 O ALA A 12 22.723 -20.020 3.760 1.00 21.31 O ATOM 197 CB ALA A 12 24.432 -20.145 1.288 1.00 14.42 C ATOM 0 H ALA A 12 22.812 -18.075 1.649 1.00 60.22 H new ATOM 0 HA ALA A 12 22.521 -20.831 0.614 1.00 23.51 H new ATOM 0 HB1 ALA A 12 24.811 -21.146 1.495 1.00 14.42 H new ATOM 0 HB2 ALA A 12 24.741 -19.839 0.289 1.00 14.42 H new ATOM 0 HB3 ALA A 12 24.834 -19.446 2.022 1.00 14.42 H new ATOM 203 N VAL A 13 21.766 -21.786 2.746 1.00 31.21 N ATOM 204 CA VAL A 13 21.273 -22.371 3.987 1.00 13.24 C ATOM 205 C VAL A 13 22.351 -23.206 4.668 1.00 62.42 C ATOM 206 O VAL A 13 22.921 -24.115 4.064 1.00 13.42 O ATOM 207 CB VAL A 13 20.035 -23.254 3.739 1.00 1.53 C ATOM 208 CG1 VAL A 13 20.343 -24.327 2.706 1.00 11.23 C ATOM 209 CG2 VAL A 13 19.556 -23.877 5.042 1.00 62.05 C ATOM 0 H VAL A 13 21.536 -22.319 1.908 1.00 31.21 H new ATOM 0 HA VAL A 13 20.994 -21.542 4.638 1.00 13.24 H new ATOM 0 HB VAL A 13 19.234 -22.626 3.347 1.00 1.53 H new ATOM 0 HG11 VAL A 13 19.457 -24.941 2.544 1.00 11.23 H new ATOM 0 HG12 VAL A 13 20.635 -23.856 1.767 1.00 11.23 H new ATOM 0 HG13 VAL A 13 21.158 -24.955 3.065 1.00 11.23 H new ATOM 0 HG21 VAL A 13 18.681 -24.497 4.849 1.00 62.05 H new ATOM 0 HG22 VAL A 13 20.350 -24.492 5.465 1.00 62.05 H new ATOM 0 HG23 VAL A 13 19.293 -23.089 5.747 1.00 62.05 H new ATOM 219 N GLY A 14 22.627 -22.893 5.930 1.00 13.13 N ATOM 220 CA GLY A 14 23.636 -23.625 6.673 1.00 43.41 C ATOM 221 C GLY A 14 23.686 -23.223 8.134 1.00 42.13 C ATOM 222 O GLY A 14 22.868 -22.426 8.594 1.00 60.34 O ATOM 0 H GLY A 14 22.170 -22.145 6.451 1.00 13.13 H new ATOM 0 HA2 GLY A 14 23.433 -24.693 6.600 1.00 43.41 H new ATOM 0 HA3 GLY A 14 24.612 -23.455 6.219 1.00 43.41 H new ATOM 226 N ARG A 15 24.648 -23.776 8.865 1.00 33.54 N ATOM 227 CA ARG A 15 24.799 -23.473 10.283 1.00 20.44 C ATOM 228 C ARG A 15 26.127 -22.772 10.551 1.00 43.44 C ATOM 229 O ARG A 15 27.171 -23.184 10.045 1.00 25.14 O ATOM 230 CB ARG A 15 24.712 -24.756 11.113 1.00 54.20 C ATOM 231 CG ARG A 15 23.306 -25.074 11.597 1.00 42.43 C ATOM 232 CD ARG A 15 22.662 -26.167 10.758 1.00 4.32 C ATOM 233 NE ARG A 15 23.165 -27.493 11.108 1.00 44.54 N ATOM 234 CZ ARG A 15 22.820 -28.142 12.214 1.00 41.51 C ATOM 235 NH1 ARG A 15 21.975 -27.590 13.073 1.00 14.05 N ATOM 236 NH2 ARG A 15 23.320 -29.345 12.462 1.00 25.21 N ATOM 0 H ARG A 15 25.334 -24.436 8.499 1.00 33.54 H new ATOM 0 HA ARG A 15 23.989 -22.804 10.573 1.00 20.44 H new ATOM 0 HB2 ARG A 15 25.079 -25.591 10.516 1.00 54.20 H new ATOM 0 HB3 ARG A 15 25.373 -24.666 11.975 1.00 54.20 H new ATOM 0 HG2 ARG A 15 23.341 -25.388 12.640 1.00 42.43 H new ATOM 0 HG3 ARG A 15 22.693 -24.173 11.556 1.00 42.43 H new ATOM 0 HD2 ARG A 15 21.581 -26.141 10.896 1.00 4.32 H new ATOM 0 HD3 ARG A 15 22.853 -25.974 9.702 1.00 4.32 H new ATOM 0 HE ARG A 15 23.817 -27.945 10.467 1.00 44.54 H new ATOM 0 HH11 ARG A 15 21.588 -26.665 12.885 1.00 14.05 H new ATOM 0 HH12 ARG A 15 21.711 -28.090 13.922 1.00 14.05 H new ATOM 0 HH21 ARG A 15 23.970 -29.773 11.803 1.00 25.21 H new ATOM 0 HH22 ARG A 15 23.054 -29.842 13.312 1.00 25.21 H new ATOM 250 N ASP A 16 26.079 -21.709 11.347 1.00 25.50 N ATOM 251 CA ASP A 16 27.279 -20.950 11.682 1.00 73.30 C ATOM 252 C ASP A 16 28.022 -21.595 12.847 1.00 23.34 C ATOM 253 O ASP A 16 27.649 -22.671 13.316 1.00 41.22 O ATOM 254 CB ASP A 16 26.913 -19.507 12.030 1.00 4.54 C ATOM 255 CG ASP A 16 25.859 -19.422 13.116 1.00 74.10 C ATOM 256 OD1 ASP A 16 25.538 -20.470 13.715 1.00 74.22 O ATOM 257 OD2 ASP A 16 25.355 -18.308 13.367 1.00 15.34 O ATOM 0 H ASP A 16 25.223 -21.354 11.772 1.00 25.50 H new ATOM 0 HA ASP A 16 27.935 -20.951 10.812 1.00 73.30 H new ATOM 0 HB2 ASP A 16 27.808 -18.977 12.355 1.00 4.54 H new ATOM 0 HB3 ASP A 16 26.550 -19.002 11.135 1.00 4.54 H new ATOM 262 N SER A 17 29.077 -20.931 13.310 1.00 71.51 N ATOM 263 CA SER A 17 29.876 -21.442 14.417 1.00 22.43 C ATOM 264 C SER A 17 29.001 -21.725 15.634 1.00 14.14 C ATOM 265 O SER A 17 29.328 -22.572 16.465 1.00 32.31 O ATOM 266 CB SER A 17 30.974 -20.442 14.786 1.00 71.53 C ATOM 267 OG SER A 17 32.142 -21.109 15.233 1.00 13.13 O ATOM 0 H SER A 17 29.398 -20.038 12.935 1.00 71.51 H new ATOM 0 HA SER A 17 30.338 -22.376 14.098 1.00 22.43 H new ATOM 0 HB2 SER A 17 31.213 -19.824 13.921 1.00 71.53 H new ATOM 0 HB3 SER A 17 30.613 -19.772 15.566 1.00 71.53 H new ATOM 0 HG SER A 17 32.829 -20.448 15.461 1.00 13.13 H new ATOM 273 N SER A 18 27.886 -21.008 15.732 1.00 34.14 N ATOM 274 CA SER A 18 26.964 -21.178 16.849 1.00 15.23 C ATOM 275 C SER A 18 26.042 -22.371 16.616 1.00 15.22 C ATOM 276 O SER A 18 26.211 -23.428 17.221 1.00 21.45 O ATOM 277 CB SER A 18 26.133 -19.909 17.050 1.00 41.31 C ATOM 278 OG SER A 18 24.887 -20.205 17.655 1.00 34.22 O ATOM 0 H SER A 18 27.599 -20.304 15.052 1.00 34.14 H new ATOM 0 HA SER A 18 27.552 -21.365 17.748 1.00 15.23 H new ATOM 0 HB2 SER A 18 26.685 -19.204 17.672 1.00 41.31 H new ATOM 0 HB3 SER A 18 25.967 -19.423 16.088 1.00 41.31 H new ATOM 0 HG SER A 18 24.376 -19.377 17.774 1.00 34.22 H new ATOM 284 N GLY A 19 25.064 -22.192 15.733 1.00 51.31 N ATOM 285 CA GLY A 19 24.129 -23.261 15.435 1.00 53.44 C ATOM 286 C GLY A 19 22.684 -22.822 15.572 1.00 62.14 C ATOM 287 O GLY A 19 21.910 -23.435 16.307 1.00 14.15 O ATOM 0 H GLY A 19 24.903 -21.326 15.219 1.00 51.31 H new ATOM 0 HA2 GLY A 19 24.302 -23.619 14.420 1.00 53.44 H new ATOM 0 HA3 GLY A 19 24.316 -24.100 16.105 1.00 53.44 H new ATOM 291 N CYS A 20 22.321 -21.759 14.863 1.00 12.34 N ATOM 292 CA CYS A 20 20.960 -21.237 14.911 1.00 15.13 C ATOM 293 C CYS A 20 20.287 -21.346 13.547 1.00 70.52 C ATOM 294 O CYS A 20 19.148 -20.914 13.367 1.00 42.45 O ATOM 295 CB CYS A 20 20.966 -19.779 15.375 1.00 72.53 C ATOM 296 SG CYS A 20 20.502 -19.554 17.108 1.00 51.13 S ATOM 0 H CYS A 20 22.950 -21.242 14.248 1.00 12.34 H new ATOM 0 HA CYS A 20 20.393 -21.835 15.624 1.00 15.13 H new ATOM 0 HB2 CYS A 20 21.962 -19.364 15.220 1.00 72.53 H new ATOM 0 HB3 CYS A 20 20.281 -19.207 14.749 1.00 72.53 H new ATOM 0 HG CYS A 20 20.327 -18.289 17.350 1.00 51.13 H new ATOM 302 N THR A 21 21.000 -21.927 12.586 1.00 33.23 N ATOM 303 CA THR A 21 20.474 -22.091 11.237 1.00 34.21 C ATOM 304 C THR A 21 20.052 -20.751 10.645 1.00 60.43 C ATOM 305 O THR A 21 18.936 -20.283 10.872 1.00 20.04 O ATOM 306 CB THR A 21 19.269 -23.051 11.217 1.00 54.52 C ATOM 307 OG1 THR A 21 19.095 -23.647 12.507 1.00 1.42 O ATOM 308 CG2 THR A 21 19.461 -24.139 10.172 1.00 50.15 C ATOM 0 H THR A 21 21.943 -22.292 12.718 1.00 33.23 H new ATOM 0 HA THR A 21 21.277 -22.515 10.634 1.00 34.21 H new ATOM 0 HB THR A 21 18.379 -22.476 10.960 1.00 54.52 H new ATOM 0 HG1 THR A 21 18.326 -24.254 12.486 1.00 1.42 H new ATOM 0 HG21 THR A 21 18.598 -24.804 10.177 1.00 50.15 H new ATOM 0 HG22 THR A 21 19.563 -23.684 9.187 1.00 50.15 H new ATOM 0 HG23 THR A 21 20.360 -24.710 10.402 1.00 50.15 H new ATOM 316 N THR A 22 20.951 -20.137 9.882 1.00 64.40 N ATOM 317 CA THR A 22 20.673 -18.851 9.257 1.00 52.21 C ATOM 318 C THR A 22 21.277 -18.776 7.860 1.00 45.14 C ATOM 319 O THR A 22 22.318 -19.376 7.589 1.00 25.44 O ATOM 320 CB THR A 22 21.218 -17.685 10.103 1.00 24.12 C ATOM 321 OG1 THR A 22 21.310 -16.501 9.304 1.00 44.51 O ATOM 322 CG2 THR A 22 22.587 -18.025 10.674 1.00 32.22 C ATOM 0 H THR A 22 21.879 -20.511 9.682 1.00 64.40 H new ATOM 0 HA THR A 22 19.589 -18.763 9.186 1.00 52.21 H new ATOM 0 HB THR A 22 20.529 -17.512 10.930 1.00 24.12 H new ATOM 0 HG1 THR A 22 22.225 -16.403 8.968 1.00 44.51 H new ATOM 0 HG21 THR A 22 22.952 -17.187 11.268 1.00 32.22 H new ATOM 0 HG22 THR A 22 22.508 -18.910 11.305 1.00 32.22 H new ATOM 0 HG23 THR A 22 23.283 -18.222 9.858 1.00 32.22 H new ATOM 330 N LEU A 23 20.620 -18.035 6.974 1.00 31.05 N ATOM 331 CA LEU A 23 21.094 -17.881 5.603 1.00 14.24 C ATOM 332 C LEU A 23 21.939 -16.619 5.458 1.00 72.31 C ATOM 333 O LEU A 23 21.559 -15.548 5.931 1.00 42.15 O ATOM 334 CB LEU A 23 19.909 -17.829 4.636 1.00 24.25 C ATOM 335 CG LEU A 23 19.141 -19.137 4.446 1.00 32.42 C ATOM 336 CD1 LEU A 23 18.251 -19.413 5.648 1.00 75.00 C ATOM 337 CD2 LEU A 23 18.316 -19.090 3.169 1.00 73.25 C ATOM 0 H LEU A 23 19.757 -17.531 7.181 1.00 31.05 H new ATOM 0 HA LEU A 23 21.716 -18.743 5.360 1.00 14.24 H new ATOM 0 HB2 LEU A 23 19.211 -17.069 4.988 1.00 24.25 H new ATOM 0 HB3 LEU A 23 20.274 -17.500 3.663 1.00 24.25 H new ATOM 0 HG LEU A 23 19.862 -19.950 4.359 1.00 32.42 H new ATOM 0 HD11 LEU A 23 17.712 -20.348 5.495 1.00 75.00 H new ATOM 0 HD12 LEU A 23 18.865 -19.491 6.545 1.00 75.00 H new ATOM 0 HD13 LEU A 23 17.537 -18.598 5.767 1.00 75.00 H new ATOM 0 HD21 LEU A 23 17.776 -20.029 3.050 1.00 73.25 H new ATOM 0 HD22 LEU A 23 17.604 -18.267 3.226 1.00 73.25 H new ATOM 0 HD23 LEU A 23 18.976 -18.940 2.315 1.00 73.25 H new ATOM 349 N SER A 24 23.085 -16.754 4.799 1.00 23.11 N ATOM 350 CA SER A 24 23.985 -15.626 4.592 1.00 3.54 C ATOM 351 C SER A 24 23.811 -15.041 3.194 1.00 1.21 C ATOM 352 O SER A 24 23.650 -15.775 2.218 1.00 4.44 O ATOM 353 CB SER A 24 25.438 -16.060 4.799 1.00 53.23 C ATOM 354 OG SER A 24 25.572 -16.855 5.964 1.00 74.33 O ATOM 0 H SER A 24 23.412 -17.633 4.399 1.00 23.11 H new ATOM 0 HA SER A 24 23.736 -14.856 5.322 1.00 3.54 H new ATOM 0 HB2 SER A 24 25.780 -16.622 3.930 1.00 53.23 H new ATOM 0 HB3 SER A 24 26.076 -15.180 4.880 1.00 53.23 H new ATOM 0 HG SER A 24 26.509 -17.120 6.073 1.00 74.33 H new ATOM 360 N ILE A 25 23.844 -13.715 3.106 1.00 62.44 N ATOM 361 CA ILE A 25 23.691 -13.032 1.827 1.00 2.45 C ATOM 362 C ILE A 25 25.048 -12.709 1.211 1.00 60.03 C ATOM 363 O ILE A 25 25.801 -11.891 1.738 1.00 51.32 O ATOM 364 CB ILE A 25 22.886 -11.728 1.980 1.00 51.45 C ATOM 365 CG1 ILE A 25 21.632 -11.972 2.822 1.00 60.25 C ATOM 366 CG2 ILE A 25 22.513 -11.173 0.613 1.00 70.12 C ATOM 367 CD1 ILE A 25 20.789 -10.733 3.025 1.00 44.53 C ATOM 0 H ILE A 25 23.975 -13.093 3.904 1.00 62.44 H new ATOM 0 HA ILE A 25 23.148 -13.710 1.169 1.00 2.45 H new ATOM 0 HB ILE A 25 23.507 -10.993 2.492 1.00 51.45 H new ATOM 0 HG12 ILE A 25 21.025 -12.739 2.341 1.00 60.25 H new ATOM 0 HG13 ILE A 25 21.928 -12.363 3.795 1.00 60.25 H new ATOM 0 HG21 ILE A 25 21.944 -10.251 0.737 1.00 70.12 H new ATOM 0 HG22 ILE A 25 23.420 -10.966 0.045 1.00 70.12 H new ATOM 0 HG23 ILE A 25 21.907 -11.903 0.077 1.00 70.12 H new ATOM 0 HD11 ILE A 25 19.917 -10.981 3.631 1.00 44.53 H new ATOM 0 HD12 ILE A 25 21.379 -9.971 3.534 1.00 44.53 H new ATOM 0 HD13 ILE A 25 20.462 -10.353 2.057 1.00 44.53 H new ATOM 379 N GLN A 26 25.352 -13.357 0.091 1.00 53.35 N ATOM 380 CA GLN A 26 26.618 -13.137 -0.599 1.00 32.43 C ATOM 381 C GLN A 26 26.477 -12.057 -1.666 1.00 13.23 C ATOM 382 O GLN A 26 27.310 -11.947 -2.565 1.00 34.42 O ATOM 383 CB GLN A 26 27.108 -14.439 -1.236 1.00 11.13 C ATOM 384 CG GLN A 26 27.596 -15.465 -0.225 1.00 55.25 C ATOM 385 CD GLN A 26 27.186 -16.879 -0.586 1.00 63.32 C ATOM 386 OE1 GLN A 26 28.031 -17.762 -0.741 1.00 51.22 O ATOM 387 NE2 GLN A 26 25.884 -17.103 -0.722 1.00 4.23 N ATOM 0 H GLN A 26 24.740 -14.038 -0.358 1.00 53.35 H new ATOM 0 HA GLN A 26 27.350 -12.802 0.136 1.00 32.43 H new ATOM 0 HB2 GLN A 26 26.298 -14.875 -1.821 1.00 11.13 H new ATOM 0 HB3 GLN A 26 27.917 -14.212 -1.930 1.00 11.13 H new ATOM 0 HG2 GLN A 26 28.682 -15.412 -0.155 1.00 55.25 H new ATOM 0 HG3 GLN A 26 27.200 -15.216 0.760 1.00 55.25 H new ATOM 0 HE21 GLN A 26 25.219 -16.342 -0.584 1.00 4.23 H new ATOM 0 HE22 GLN A 26 25.550 -18.036 -0.964 1.00 4.23 H new ATOM 396 N GLU A 27 25.417 -11.261 -1.559 1.00 72.51 N ATOM 397 CA GLU A 27 25.167 -10.190 -2.516 1.00 61.34 C ATOM 398 C GLU A 27 24.575 -8.967 -1.822 1.00 63.11 C ATOM 399 O GLU A 27 24.427 -8.944 -0.600 1.00 41.12 O ATOM 400 CB GLU A 27 24.222 -10.672 -3.619 1.00 15.21 C ATOM 401 CG GLU A 27 24.900 -11.537 -4.668 1.00 31.04 C ATOM 402 CD GLU A 27 24.459 -11.198 -6.078 1.00 54.12 C ATOM 403 OE1 GLU A 27 23.404 -11.709 -6.509 1.00 51.44 O ATOM 404 OE2 GLU A 27 25.169 -10.421 -6.751 1.00 34.04 O ATOM 0 H GLU A 27 24.719 -11.338 -0.820 1.00 72.51 H new ATOM 0 HA GLU A 27 26.120 -9.907 -2.962 1.00 61.34 H new ATOM 0 HB2 GLU A 27 23.407 -11.237 -3.166 1.00 15.21 H new ATOM 0 HB3 GLU A 27 23.776 -9.806 -4.108 1.00 15.21 H new ATOM 0 HG2 GLU A 27 25.980 -11.416 -4.590 1.00 31.04 H new ATOM 0 HG3 GLU A 27 24.682 -12.585 -4.465 1.00 31.04 H new ATOM 411 N VAL A 28 24.239 -7.951 -2.611 1.00 23.04 N ATOM 412 CA VAL A 28 23.663 -6.724 -2.073 1.00 64.22 C ATOM 413 C VAL A 28 22.217 -6.552 -2.524 1.00 62.50 C ATOM 414 O VAL A 28 21.945 -5.932 -3.552 1.00 74.03 O ATOM 415 CB VAL A 28 24.474 -5.488 -2.504 1.00 42.33 C ATOM 416 CG1 VAL A 28 24.124 -4.290 -1.635 1.00 2.40 C ATOM 417 CG2 VAL A 28 25.966 -5.782 -2.445 1.00 54.05 C ATOM 0 H VAL A 28 24.356 -7.953 -3.624 1.00 23.04 H new ATOM 0 HA VAL A 28 23.694 -6.809 -0.987 1.00 64.22 H new ATOM 0 HB VAL A 28 24.215 -5.247 -3.535 1.00 42.33 H new ATOM 0 HG11 VAL A 28 24.707 -3.426 -1.954 1.00 2.40 H new ATOM 0 HG12 VAL A 28 23.062 -4.067 -1.733 1.00 2.40 H new ATOM 0 HG13 VAL A 28 24.352 -4.517 -0.594 1.00 2.40 H new ATOM 0 HG21 VAL A 28 26.524 -4.897 -2.753 1.00 54.05 H new ATOM 0 HG22 VAL A 28 26.244 -6.050 -1.426 1.00 54.05 H new ATOM 0 HG23 VAL A 28 26.200 -6.610 -3.114 1.00 54.05 H new ATOM 427 N THR A 29 21.291 -7.106 -1.747 1.00 61.23 N ATOM 428 CA THR A 29 19.872 -7.015 -2.066 1.00 70.33 C ATOM 429 C THR A 29 19.316 -5.641 -1.713 1.00 11.32 C ATOM 430 O THR A 29 18.167 -5.328 -2.023 1.00 35.55 O ATOM 431 CB THR A 29 19.059 -8.092 -1.323 1.00 60.11 C ATOM 432 OG1 THR A 29 17.715 -8.119 -1.816 1.00 50.34 O ATOM 433 CG2 THR A 29 19.050 -7.825 0.175 1.00 72.54 C ATOM 0 H THR A 29 21.499 -7.622 -0.892 1.00 61.23 H new ATOM 0 HA THR A 29 19.779 -7.176 -3.140 1.00 70.33 H new ATOM 0 HB THR A 29 19.530 -9.059 -1.501 1.00 60.11 H new ATOM 0 HG1 THR A 29 17.420 -9.049 -1.910 1.00 50.34 H new ATOM 0 HG21 THR A 29 18.470 -8.598 0.679 1.00 72.54 H new ATOM 0 HG22 THR A 29 20.073 -7.834 0.552 1.00 72.54 H new ATOM 0 HG23 THR A 29 18.601 -6.851 0.368 1.00 72.54 H new ATOM 441 N GLN A 30 20.139 -4.824 -1.064 1.00 11.44 N ATOM 442 CA GLN A 30 19.728 -3.482 -0.668 1.00 54.34 C ATOM 443 C GLN A 30 20.199 -2.447 -1.685 1.00 14.43 C ATOM 444 O GLN A 30 20.785 -1.426 -1.322 1.00 71.11 O ATOM 445 CB GLN A 30 20.282 -3.143 0.717 1.00 54.24 C ATOM 446 CG GLN A 30 19.746 -4.038 1.822 1.00 72.30 C ATOM 447 CD GLN A 30 20.617 -5.256 2.061 1.00 43.52 C ATOM 448 OE1 GLN A 30 21.805 -5.256 1.736 1.00 21.41 O ATOM 449 NE2 GLN A 30 20.031 -6.301 2.632 1.00 74.24 N ATOM 0 H GLN A 30 21.094 -5.068 -0.801 1.00 11.44 H new ATOM 0 HA GLN A 30 18.639 -3.459 -0.631 1.00 54.34 H new ATOM 0 HB2 GLN A 30 21.369 -3.220 0.693 1.00 54.24 H new ATOM 0 HB3 GLN A 30 20.041 -2.106 0.952 1.00 54.24 H new ATOM 0 HG2 GLN A 30 19.670 -3.463 2.745 1.00 72.30 H new ATOM 0 HG3 GLN A 30 18.738 -4.362 1.565 1.00 72.30 H new ATOM 0 HE21 GLN A 30 19.044 -6.257 2.885 1.00 74.24 H new ATOM 0 HE22 GLN A 30 20.568 -7.148 2.818 1.00 74.24 H new ATOM 458 N THR A 31 19.939 -2.716 -2.960 1.00 53.04 N ATOM 459 CA THR A 31 20.337 -1.809 -4.030 1.00 21.25 C ATOM 460 C THR A 31 19.292 -1.774 -5.139 1.00 22.51 C ATOM 461 O THR A 31 19.550 -1.270 -6.232 1.00 52.20 O ATOM 462 CB THR A 31 21.696 -2.214 -4.632 1.00 52.31 C ATOM 463 OG1 THR A 31 21.772 -3.638 -4.756 1.00 21.20 O ATOM 464 CG2 THR A 31 22.842 -1.713 -3.767 1.00 2.33 C ATOM 0 H THR A 31 19.454 -3.555 -3.278 1.00 53.04 H new ATOM 0 HA THR A 31 20.425 -0.817 -3.587 1.00 21.25 H new ATOM 0 HB THR A 31 21.781 -1.759 -5.619 1.00 52.31 H new ATOM 0 HG1 THR A 31 21.876 -4.039 -3.868 1.00 21.20 H new ATOM 0 HG21 THR A 31 23.791 -2.011 -4.212 1.00 2.33 H new ATOM 0 HG22 THR A 31 22.798 -0.626 -3.699 1.00 2.33 H new ATOM 0 HG23 THR A 31 22.759 -2.142 -2.769 1.00 2.33 H new ATOM 472 N TYR A 32 18.113 -2.313 -4.851 1.00 74.00 N ATOM 473 CA TYR A 32 17.029 -2.345 -5.826 1.00 13.03 C ATOM 474 C TYR A 32 15.733 -1.816 -5.217 1.00 63.25 C ATOM 475 O TYR A 32 15.468 -2.005 -4.030 1.00 34.21 O ATOM 476 CB TYR A 32 16.819 -3.770 -6.340 1.00 61.21 C ATOM 477 CG TYR A 32 15.956 -4.620 -5.435 1.00 1.21 C ATOM 478 CD1 TYR A 32 16.517 -5.358 -4.400 1.00 2.43 C ATOM 479 CD2 TYR A 32 14.580 -4.686 -5.615 1.00 41.22 C ATOM 480 CE1 TYR A 32 15.733 -6.136 -3.570 1.00 51.05 C ATOM 481 CE2 TYR A 32 13.788 -5.460 -4.790 1.00 31.20 C ATOM 482 CZ TYR A 32 14.369 -6.184 -3.769 1.00 51.43 C ATOM 483 OH TYR A 32 13.583 -6.957 -2.946 1.00 63.30 O ATOM 0 H TYR A 32 17.883 -2.734 -3.951 1.00 74.00 H new ATOM 0 HA TYR A 32 17.306 -1.702 -6.661 1.00 13.03 H new ATOM 0 HB2 TYR A 32 16.362 -3.727 -7.328 1.00 61.21 H new ATOM 0 HB3 TYR A 32 17.790 -4.251 -6.459 1.00 61.21 H new ATOM 0 HD1 TYR A 32 17.585 -5.323 -4.242 1.00 2.43 H new ATOM 0 HD2 TYR A 32 14.122 -4.122 -6.414 1.00 41.22 H new ATOM 0 HE1 TYR A 32 16.186 -6.703 -2.770 1.00 51.05 H new ATOM 0 HE2 TYR A 32 12.720 -5.498 -4.943 1.00 31.20 H new ATOM 0 HH TYR A 32 13.342 -7.787 -3.408 1.00 63.30 H new ATOM 493 N THR A 33 14.928 -1.152 -6.041 1.00 43.01 N ATOM 494 CA THR A 33 13.661 -0.595 -5.587 1.00 13.34 C ATOM 495 C THR A 33 12.752 -0.263 -6.765 1.00 33.44 C ATOM 496 O THR A 33 13.219 0.155 -7.823 1.00 13.40 O ATOM 497 CB THR A 33 13.876 0.677 -4.745 1.00 52.51 C ATOM 498 OG1 THR A 33 14.619 0.363 -3.562 1.00 73.42 O ATOM 499 CG2 THR A 33 12.544 1.304 -4.362 1.00 11.42 C ATOM 0 H THR A 33 15.132 -0.987 -7.027 1.00 43.01 H new ATOM 0 HA THR A 33 13.185 -1.356 -4.968 1.00 13.34 H new ATOM 0 HB THR A 33 14.437 1.393 -5.346 1.00 52.51 H new ATOM 0 HG1 THR A 33 14.664 -0.610 -3.453 1.00 73.42 H new ATOM 0 HG21 THR A 33 12.721 2.201 -3.768 1.00 11.42 H new ATOM 0 HG22 THR A 33 11.994 1.570 -5.265 1.00 11.42 H new ATOM 0 HG23 THR A 33 11.961 0.592 -3.778 1.00 11.42 H new ATOM 507 N GLY A 34 11.450 -0.453 -6.573 1.00 74.24 N ATOM 508 CA GLY A 34 10.496 -0.169 -7.629 1.00 54.33 C ATOM 509 C GLY A 34 9.107 -0.685 -7.310 1.00 73.34 C ATOM 510 O GLY A 34 8.809 -1.860 -7.528 1.00 12.34 O ATOM 0 H GLY A 34 11.039 -0.798 -5.706 1.00 74.24 H new ATOM 0 HA2 GLY A 34 10.451 0.908 -7.794 1.00 54.33 H new ATOM 0 HA3 GLY A 34 10.843 -0.620 -8.559 1.00 54.33 H new ATOM 514 N SER A 35 8.255 0.193 -6.792 1.00 53.40 N ATOM 515 CA SER A 35 6.891 -0.182 -6.437 1.00 50.12 C ATOM 516 C SER A 35 6.127 1.013 -5.875 1.00 43.55 C ATOM 517 O SER A 35 4.980 1.260 -6.245 1.00 41.21 O ATOM 518 CB SER A 35 6.902 -1.320 -5.415 1.00 63.32 C ATOM 519 OG SER A 35 5.859 -1.166 -4.469 1.00 33.51 O ATOM 0 H SER A 35 8.485 1.170 -6.609 1.00 53.40 H new ATOM 0 HA SER A 35 6.387 -0.520 -7.342 1.00 50.12 H new ATOM 0 HB2 SER A 35 6.793 -2.275 -5.929 1.00 63.32 H new ATOM 0 HB3 SER A 35 7.863 -1.342 -4.901 1.00 63.32 H new ATOM 0 HG SER A 35 5.016 -1.479 -4.858 1.00 33.51 H new ATOM 525 N ASN A 36 6.773 1.752 -4.979 1.00 44.55 N ATOM 526 CA ASN A 36 6.156 2.922 -4.365 1.00 51.22 C ATOM 527 C ASN A 36 7.122 4.103 -4.352 1.00 13.22 C ATOM 528 O ASN A 36 6.729 5.243 -4.598 1.00 71.35 O ATOM 529 CB ASN A 36 5.709 2.599 -2.938 1.00 73.52 C ATOM 530 CG ASN A 36 4.338 3.163 -2.620 1.00 74.20 C ATOM 531 OD1 ASN A 36 3.468 3.239 -3.489 1.00 25.34 O ATOM 532 ND2 ASN A 36 4.138 3.562 -1.369 1.00 40.34 N ATOM 0 H ASN A 36 7.724 1.561 -4.662 1.00 44.55 H new ATOM 0 HA ASN A 36 5.284 3.195 -4.959 1.00 51.22 H new ATOM 0 HB2 ASN A 36 5.695 1.518 -2.801 1.00 73.52 H new ATOM 0 HB3 ASN A 36 6.437 3.000 -2.233 1.00 73.52 H new ATOM 0 HD21 ASN A 36 3.235 3.950 -1.096 1.00 40.34 H new ATOM 0 HD22 ASN A 36 4.887 3.480 -0.682 1.00 40.34 H new ATOM 539 N GLY A 37 8.389 3.822 -4.062 1.00 74.32 N ATOM 540 CA GLY A 37 9.391 4.870 -4.022 1.00 41.25 C ATOM 541 C GLY A 37 10.180 4.967 -5.313 1.00 40.32 C ATOM 542 O GLY A 37 10.195 6.012 -5.962 1.00 43.15 O ATOM 0 H GLY A 37 8.739 2.887 -3.854 1.00 74.32 H new ATOM 0 HA2 GLY A 37 8.905 5.825 -3.824 1.00 41.25 H new ATOM 0 HA3 GLY A 37 10.075 4.683 -3.195 1.00 41.25 H new ATOM 546 N GLY A 38 10.839 3.874 -5.686 1.00 3.31 N ATOM 547 CA GLY A 38 11.627 3.862 -6.905 1.00 14.51 C ATOM 548 C GLY A 38 13.016 4.433 -6.703 1.00 43.41 C ATOM 549 O GLY A 38 13.188 5.648 -6.610 1.00 51.43 O ATOM 0 H GLY A 38 10.841 2.997 -5.166 1.00 3.31 H new ATOM 0 HA2 GLY A 38 11.708 2.839 -7.272 1.00 14.51 H new ATOM 0 HA3 GLY A 38 11.110 4.436 -7.674 1.00 14.51 H new ATOM 553 N ALA A 39 14.011 3.555 -6.633 1.00 71.34 N ATOM 554 CA ALA A 39 15.392 3.978 -6.442 1.00 3.25 C ATOM 555 C ALA A 39 16.336 2.781 -6.425 1.00 24.21 C ATOM 556 O ALA A 39 17.026 2.536 -5.435 1.00 31.42 O ATOM 557 CB ALA A 39 15.526 4.776 -5.153 1.00 34.13 C ATOM 0 H ALA A 39 13.886 2.545 -6.706 1.00 71.34 H new ATOM 0 HA ALA A 39 15.670 4.615 -7.282 1.00 3.25 H new ATOM 0 HB1 ALA A 39 16.563 5.086 -5.023 1.00 34.13 H new ATOM 0 HB2 ALA A 39 14.887 5.658 -5.203 1.00 34.13 H new ATOM 0 HB3 ALA A 39 15.224 4.157 -4.309 1.00 34.13 H new ATOM 563 N ASP A 40 16.362 2.038 -7.526 1.00 51.31 N ATOM 564 CA ASP A 40 17.222 0.866 -7.638 1.00 21.00 C ATOM 565 C ASP A 40 18.691 1.273 -7.696 1.00 0.30 C ATOM 566 O ASP A 40 19.261 1.428 -8.777 1.00 2.52 O ATOM 567 CB ASP A 40 16.855 0.055 -8.882 1.00 24.23 C ATOM 568 CG ASP A 40 16.621 0.931 -10.096 1.00 44.44 C ATOM 569 OD1 ASP A 40 17.168 2.053 -10.132 1.00 11.52 O ATOM 570 OD2 ASP A 40 15.891 0.496 -11.011 1.00 61.42 O ATOM 0 H ASP A 40 15.797 2.227 -8.354 1.00 51.31 H new ATOM 0 HA ASP A 40 17.070 0.248 -6.753 1.00 21.00 H new ATOM 0 HB2 ASP A 40 17.654 -0.655 -9.098 1.00 24.23 H new ATOM 0 HB3 ASP A 40 15.957 -0.528 -8.680 1.00 24.23 H new ATOM 575 N LEU A 41 19.298 1.446 -6.527 1.00 42.22 N ATOM 576 CA LEU A 41 20.701 1.837 -6.444 1.00 63.12 C ATOM 577 C LEU A 41 21.221 1.702 -5.016 1.00 55.43 C ATOM 578 O LEU A 41 20.457 1.429 -4.091 1.00 14.40 O ATOM 579 CB LEU A 41 20.880 3.276 -6.931 1.00 10.14 C ATOM 580 CG LEU A 41 20.582 4.372 -5.907 1.00 43.40 C ATOM 581 CD1 LEU A 41 21.873 5.016 -5.424 1.00 34.14 C ATOM 582 CD2 LEU A 41 19.652 5.419 -6.502 1.00 42.52 C ATOM 0 H LEU A 41 18.841 1.322 -5.624 1.00 42.22 H new ATOM 0 HA LEU A 41 21.277 1.169 -7.085 1.00 63.12 H new ATOM 0 HB2 LEU A 41 21.907 3.397 -7.275 1.00 10.14 H new ATOM 0 HB3 LEU A 41 20.234 3.429 -7.796 1.00 10.14 H new ATOM 0 HG LEU A 41 20.084 3.917 -5.051 1.00 43.40 H new ATOM 0 HD11 LEU A 41 21.642 5.794 -4.696 1.00 34.14 H new ATOM 0 HD12 LEU A 41 22.505 4.260 -4.959 1.00 34.14 H new ATOM 0 HD13 LEU A 41 22.399 5.457 -6.271 1.00 34.14 H new ATOM 0 HD21 LEU A 41 19.451 6.191 -5.759 1.00 42.52 H new ATOM 0 HD22 LEU A 41 20.123 5.870 -7.376 1.00 42.52 H new ATOM 0 HD23 LEU A 41 18.715 4.947 -6.798 1.00 42.52 H new ATOM 594 N MET A 42 22.524 1.898 -4.845 1.00 52.22 N ATOM 595 CA MET A 42 23.144 1.802 -3.529 1.00 3.10 C ATOM 596 C MET A 42 22.527 2.808 -2.562 1.00 63.13 C ATOM 597 O MET A 42 22.813 4.003 -2.629 1.00 35.31 O ATOM 598 CB MET A 42 24.652 2.037 -3.634 1.00 44.21 C ATOM 599 CG MET A 42 25.378 0.974 -4.442 1.00 23.41 C ATOM 600 SD MET A 42 27.156 1.260 -4.528 1.00 44.22 S ATOM 601 CE MET A 42 27.394 1.381 -6.299 1.00 42.43 C ATOM 0 H MET A 42 23.171 2.124 -5.601 1.00 52.22 H new ATOM 0 HA MET A 42 22.966 0.798 -3.143 1.00 3.10 H new ATOM 0 HB2 MET A 42 24.829 3.011 -4.089 1.00 44.21 H new ATOM 0 HB3 MET A 42 25.077 2.072 -2.631 1.00 44.21 H new ATOM 0 HG2 MET A 42 25.192 -0.004 -3.998 1.00 23.41 H new ATOM 0 HG3 MET A 42 24.969 0.948 -5.452 1.00 23.41 H new ATOM 0 HE1 MET A 42 28.448 1.558 -6.513 1.00 42.43 H new ATOM 0 HE2 MET A 42 27.079 0.451 -6.773 1.00 42.43 H new ATOM 0 HE3 MET A 42 26.800 2.207 -6.690 1.00 42.43 H new ATOM 611 N GLY A 43 21.679 2.316 -1.664 1.00 63.41 N ATOM 612 CA GLY A 43 21.035 3.185 -0.697 1.00 43.43 C ATOM 613 C GLY A 43 20.837 2.512 0.646 1.00 1.44 C ATOM 614 O GLY A 43 21.532 2.805 1.620 1.00 70.12 O ATOM 0 H GLY A 43 21.427 1.331 -1.589 1.00 63.41 H new ATOM 0 HA2 GLY A 43 21.637 4.084 -0.564 1.00 43.43 H new ATOM 0 HA3 GLY A 43 20.068 3.503 -1.087 1.00 43.43 H new ATOM 618 N PRO A 44 19.867 1.588 0.712 1.00 1.44 N ATOM 619 CA PRO A 44 19.556 0.854 1.942 1.00 30.22 C ATOM 620 C PRO A 44 20.656 -0.132 2.323 1.00 54.33 C ATOM 621 O PRO A 44 20.632 -0.714 3.406 1.00 21.44 O ATOM 622 CB PRO A 44 18.266 0.107 1.593 1.00 42.12 C ATOM 623 CG PRO A 44 18.302 -0.038 0.110 1.00 0.45 C ATOM 624 CD PRO A 44 19.000 1.189 -0.409 1.00 13.24 C ATOM 0 HA PRO A 44 19.461 1.519 2.800 1.00 30.22 H new ATOM 0 HB2 PRO A 44 18.226 -0.865 2.085 1.00 42.12 H new ATOM 0 HB3 PRO A 44 17.386 0.664 1.915 1.00 42.12 H new ATOM 0 HG2 PRO A 44 18.836 -0.943 -0.181 1.00 0.45 H new ATOM 0 HG3 PRO A 44 17.295 -0.116 -0.299 1.00 0.45 H new ATOM 0 HD2 PRO A 44 19.578 0.973 -1.307 1.00 13.24 H new ATOM 0 HD3 PRO A 44 18.291 1.975 -0.668 1.00 13.24 H new ATOM 632 N ALA A 45 21.618 -0.313 1.424 1.00 2.04 N ATOM 633 CA ALA A 45 22.728 -1.226 1.668 1.00 71.24 C ATOM 634 C ALA A 45 23.767 -0.595 2.588 1.00 11.31 C ATOM 635 O ALA A 45 23.867 -0.949 3.763 1.00 11.31 O ATOM 636 CB ALA A 45 23.369 -1.641 0.351 1.00 14.43 C ATOM 0 H ALA A 45 21.651 0.160 0.521 1.00 2.04 H new ATOM 0 HA ALA A 45 22.334 -2.113 2.164 1.00 71.24 H new ATOM 0 HB1 ALA A 45 24.196 -2.323 0.548 1.00 14.43 H new ATOM 0 HB2 ALA A 45 22.628 -2.141 -0.273 1.00 14.43 H new ATOM 0 HB3 ALA A 45 23.742 -0.757 -0.166 1.00 14.43 H new ATOM 642 N PHE A 46 24.539 0.342 2.047 1.00 61.52 N ATOM 643 CA PHE A 46 25.572 1.021 2.819 1.00 2.35 C ATOM 644 C PHE A 46 24.965 1.759 4.009 1.00 31.43 C ATOM 645 O PHE A 46 25.650 2.046 4.990 1.00 11.43 O ATOM 646 CB PHE A 46 26.338 2.005 1.932 1.00 22.04 C ATOM 647 CG PHE A 46 27.829 1.917 2.088 1.00 24.14 C ATOM 648 CD1 PHE A 46 28.501 0.740 1.799 1.00 21.25 C ATOM 649 CD2 PHE A 46 28.560 3.011 2.523 1.00 13.12 C ATOM 650 CE1 PHE A 46 29.873 0.656 1.943 1.00 61.01 C ATOM 651 CE2 PHE A 46 29.932 2.933 2.668 1.00 1.31 C ATOM 652 CZ PHE A 46 30.590 1.754 2.377 1.00 53.34 C ATOM 0 H PHE A 46 24.468 0.648 1.077 1.00 61.52 H new ATOM 0 HA PHE A 46 26.263 0.267 3.195 1.00 2.35 H new ATOM 0 HB2 PHE A 46 26.078 1.820 0.890 1.00 22.04 H new ATOM 0 HB3 PHE A 46 26.015 3.020 2.166 1.00 22.04 H new ATOM 0 HD1 PHE A 46 27.946 -0.121 1.457 1.00 21.25 H new ATOM 0 HD2 PHE A 46 28.051 3.936 2.751 1.00 13.12 H new ATOM 0 HE1 PHE A 46 30.384 -0.268 1.716 1.00 61.01 H new ATOM 0 HE2 PHE A 46 30.489 3.793 3.009 1.00 1.31 H new ATOM 0 HZ PHE A 46 31.662 1.691 2.488 1.00 53.34 H new ATOM 662 N ALA A 47 23.674 2.062 3.914 1.00 64.31 N ATOM 663 CA ALA A 47 22.974 2.764 4.982 1.00 74.12 C ATOM 664 C ALA A 47 22.718 1.842 6.170 1.00 43.34 C ATOM 665 O ALA A 47 22.837 2.254 7.323 1.00 25.43 O ATOM 666 CB ALA A 47 21.663 3.337 4.465 1.00 55.32 C ATOM 0 H ALA A 47 23.092 1.832 3.108 1.00 64.31 H new ATOM 0 HA ALA A 47 23.608 3.583 5.321 1.00 74.12 H new ATOM 0 HB1 ALA A 47 21.150 3.859 5.273 1.00 55.32 H new ATOM 0 HB2 ALA A 47 21.866 4.036 3.653 1.00 55.32 H new ATOM 0 HB3 ALA A 47 21.032 2.528 4.098 1.00 55.32 H new ATOM 672 N ALA A 48 22.366 0.594 5.879 1.00 11.22 N ATOM 673 CA ALA A 48 22.095 -0.386 6.924 1.00 41.23 C ATOM 674 C ALA A 48 23.358 -1.157 7.294 1.00 54.31 C ATOM 675 O ALA A 48 23.401 -1.842 8.315 1.00 63.14 O ATOM 676 CB ALA A 48 21.001 -1.344 6.477 1.00 30.22 C ATOM 0 H ALA A 48 22.262 0.238 4.929 1.00 11.22 H new ATOM 0 HA ALA A 48 21.755 0.149 7.811 1.00 41.23 H new ATOM 0 HB1 ALA A 48 20.809 -2.070 7.267 1.00 30.22 H new ATOM 0 HB2 ALA A 48 20.089 -0.784 6.269 1.00 30.22 H new ATOM 0 HB3 ALA A 48 21.320 -1.865 5.574 1.00 30.22 H new ATOM 682 N GLY A 49 24.384 -1.040 6.457 1.00 71.15 N ATOM 683 CA GLY A 49 25.633 -1.732 6.713 1.00 22.42 C ATOM 684 C GLY A 49 25.638 -3.144 6.160 1.00 1.23 C ATOM 685 O GLY A 49 26.610 -3.882 6.329 1.00 11.54 O ATOM 0 H GLY A 49 24.372 -0.478 5.606 1.00 71.15 H new ATOM 0 HA2 GLY A 49 26.454 -1.169 6.270 1.00 22.42 H new ATOM 0 HA3 GLY A 49 25.813 -1.765 7.788 1.00 22.42 H new ATOM 689 N LEU A 50 24.550 -3.522 5.499 1.00 71.10 N ATOM 690 CA LEU A 50 24.431 -4.856 4.920 1.00 3.12 C ATOM 691 C LEU A 50 25.294 -4.985 3.669 1.00 74.13 C ATOM 692 O LEU A 50 25.161 -4.202 2.728 1.00 3.12 O ATOM 693 CB LEU A 50 22.971 -5.158 4.580 1.00 13.14 C ATOM 694 CG LEU A 50 21.955 -4.898 5.693 1.00 0.35 C ATOM 695 CD1 LEU A 50 20.677 -4.304 5.122 1.00 72.33 C ATOM 696 CD2 LEU A 50 21.656 -6.182 6.453 1.00 12.22 C ATOM 0 H LEU A 50 23.737 -2.924 5.350 1.00 71.10 H new ATOM 0 HA LEU A 50 24.782 -5.578 5.657 1.00 3.12 H new ATOM 0 HB2 LEU A 50 22.690 -4.561 3.712 1.00 13.14 H new ATOM 0 HB3 LEU A 50 22.897 -6.205 4.285 1.00 13.14 H new ATOM 0 HG LEU A 50 22.385 -4.179 6.390 1.00 0.35 H new ATOM 0 HD11 LEU A 50 19.966 -4.126 5.929 1.00 72.33 H new ATOM 0 HD12 LEU A 50 20.905 -3.361 4.624 1.00 72.33 H new ATOM 0 HD13 LEU A 50 20.243 -4.998 4.403 1.00 72.33 H new ATOM 0 HD21 LEU A 50 20.931 -5.978 7.241 1.00 12.22 H new ATOM 0 HD22 LEU A 50 21.247 -6.924 5.767 1.00 12.22 H new ATOM 0 HD23 LEU A 50 22.575 -6.565 6.896 1.00 12.22 H new ATOM 708 N ARG A 51 26.175 -5.980 3.664 1.00 41.21 N ATOM 709 CA ARG A 51 27.058 -6.212 2.528 1.00 63.35 C ATOM 710 C ARG A 51 27.261 -7.706 2.294 1.00 65.43 C ATOM 711 O ARG A 51 26.795 -8.537 3.073 1.00 15.25 O ATOM 712 CB ARG A 51 28.410 -5.533 2.757 1.00 15.22 C ATOM 713 CG ARG A 51 28.560 -4.211 2.022 1.00 75.23 C ATOM 714 CD ARG A 51 29.100 -4.415 0.615 1.00 2.31 C ATOM 715 NE ARG A 51 30.432 -5.014 0.622 1.00 31.20 N ATOM 716 CZ ARG A 51 31.150 -5.222 -0.476 1.00 71.40 C ATOM 717 NH1 ARG A 51 30.667 -4.881 -1.663 1.00 12.14 N ATOM 718 NH2 ARG A 51 32.354 -5.773 -0.388 1.00 40.14 N ATOM 0 H ARG A 51 26.296 -6.638 4.434 1.00 41.21 H new ATOM 0 HA ARG A 51 26.589 -5.783 1.643 1.00 63.35 H new ATOM 0 HB2 ARG A 51 28.545 -5.363 3.825 1.00 15.22 H new ATOM 0 HB3 ARG A 51 29.205 -6.208 2.439 1.00 15.22 H new ATOM 0 HG2 ARG A 51 27.594 -3.709 1.973 1.00 75.23 H new ATOM 0 HG3 ARG A 51 29.231 -3.557 2.579 1.00 75.23 H new ATOM 0 HD2 ARG A 51 28.418 -5.054 0.054 1.00 2.31 H new ATOM 0 HD3 ARG A 51 29.136 -3.456 0.098 1.00 2.31 H new ATOM 0 HE ARG A 51 30.833 -5.288 1.519 1.00 31.20 H new ATOM 0 HH11 ARG A 51 29.742 -4.458 -1.735 1.00 12.14 H new ATOM 0 HH12 ARG A 51 31.221 -5.042 -2.504 1.00 12.14 H new ATOM 0 HH21 ARG A 51 32.729 -6.037 0.523 1.00 40.14 H new ATOM 0 HH22 ARG A 51 32.905 -5.932 -1.232 1.00 40.14 H new ATOM 732 N VAL A 52 27.961 -8.042 1.214 1.00 11.51 N ATOM 733 CA VAL A 52 28.227 -9.435 0.877 1.00 34.04 C ATOM 734 C VAL A 52 28.908 -10.159 2.033 1.00 33.41 C ATOM 735 O VAL A 52 29.867 -9.656 2.616 1.00 61.12 O ATOM 736 CB VAL A 52 29.111 -9.550 -0.379 1.00 35.33 C ATOM 737 CG1 VAL A 52 28.424 -8.910 -1.576 1.00 30.24 C ATOM 738 CG2 VAL A 52 30.471 -8.916 -0.132 1.00 61.21 C ATOM 0 H VAL A 52 28.354 -7.367 0.558 1.00 11.51 H new ATOM 0 HA VAL A 52 27.263 -9.902 0.677 1.00 34.04 H new ATOM 0 HB VAL A 52 29.263 -10.606 -0.600 1.00 35.33 H new ATOM 0 HG11 VAL A 52 29.063 -9.001 -2.454 1.00 30.24 H new ATOM 0 HG12 VAL A 52 27.476 -9.414 -1.764 1.00 30.24 H new ATOM 0 HG13 VAL A 52 28.240 -7.856 -1.369 1.00 30.24 H new ATOM 0 HG21 VAL A 52 31.083 -9.006 -1.030 1.00 61.21 H new ATOM 0 HG22 VAL A 52 30.342 -7.862 0.115 1.00 61.21 H new ATOM 0 HG23 VAL A 52 30.965 -9.425 0.696 1.00 61.21 H new ATOM 748 N GLY A 53 28.405 -11.346 2.360 1.00 75.15 N ATOM 749 CA GLY A 53 28.977 -12.122 3.444 1.00 10.44 C ATOM 750 C GLY A 53 28.307 -11.840 4.775 1.00 60.13 C ATOM 751 O GLY A 53 28.781 -12.281 5.822 1.00 70.42 O ATOM 0 H GLY A 53 27.611 -11.784 1.893 1.00 75.15 H new ATOM 0 HA2 GLY A 53 28.888 -13.184 3.213 1.00 10.44 H new ATOM 0 HA3 GLY A 53 30.042 -11.901 3.523 1.00 10.44 H new ATOM 755 N ASP A 54 27.203 -11.102 4.735 1.00 61.32 N ATOM 756 CA ASP A 54 26.467 -10.762 5.947 1.00 51.43 C ATOM 757 C ASP A 54 25.227 -11.637 6.093 1.00 35.43 C ATOM 758 O ASP A 54 24.552 -11.944 5.110 1.00 5.24 O ATOM 759 CB ASP A 54 26.065 -9.286 5.927 1.00 41.00 C ATOM 760 CG ASP A 54 25.953 -8.698 7.320 1.00 54.02 C ATOM 761 OD1 ASP A 54 27.003 -8.490 7.962 1.00 50.30 O ATOM 762 OD2 ASP A 54 24.814 -8.447 7.768 1.00 2.21 O ATOM 0 H ASP A 54 26.798 -10.728 3.877 1.00 61.32 H new ATOM 0 HA ASP A 54 27.119 -10.942 6.802 1.00 51.43 H new ATOM 0 HB2 ASP A 54 26.800 -8.720 5.355 1.00 41.00 H new ATOM 0 HB3 ASP A 54 25.110 -9.179 5.413 1.00 41.00 H new ATOM 767 N GLN A 55 24.933 -12.037 7.326 1.00 21.25 N ATOM 768 CA GLN A 55 23.775 -12.879 7.601 1.00 72.44 C ATOM 769 C GLN A 55 22.546 -12.031 7.910 1.00 52.10 C ATOM 770 O GLN A 55 22.578 -11.171 8.791 1.00 40.41 O ATOM 771 CB GLN A 55 24.067 -13.820 8.771 1.00 63.23 C ATOM 772 CG GLN A 55 25.286 -14.702 8.552 1.00 22.13 C ATOM 773 CD GLN A 55 25.203 -16.011 9.312 1.00 21.22 C ATOM 774 OE1 GLN A 55 25.546 -16.080 10.493 1.00 51.31 O ATOM 775 NE2 GLN A 55 24.746 -17.060 8.638 1.00 50.44 N ATOM 0 H GLN A 55 25.481 -11.791 8.150 1.00 21.25 H new ATOM 0 HA GLN A 55 23.570 -13.472 6.710 1.00 72.44 H new ATOM 0 HB2 GLN A 55 24.214 -13.228 9.674 1.00 63.23 H new ATOM 0 HB3 GLN A 55 23.197 -14.453 8.943 1.00 63.23 H new ATOM 0 HG2 GLN A 55 25.392 -14.910 7.487 1.00 22.13 H new ATOM 0 HG3 GLN A 55 26.181 -14.162 8.862 1.00 22.13 H new ATOM 0 HE21 GLN A 55 24.473 -16.959 7.661 1.00 50.44 H new ATOM 0 HE22 GLN A 55 24.668 -17.967 9.098 1.00 50.44 H new ATOM 784 N LEU A 56 21.464 -12.278 7.180 1.00 33.13 N ATOM 785 CA LEU A 56 20.223 -11.536 7.376 1.00 31.33 C ATOM 786 C LEU A 56 19.053 -12.486 7.614 1.00 53.45 C ATOM 787 O LEU A 56 18.525 -13.083 6.676 1.00 75.32 O ATOM 788 CB LEU A 56 19.938 -10.651 6.162 1.00 12.52 C ATOM 789 CG LEU A 56 19.391 -9.255 6.463 1.00 13.24 C ATOM 790 CD1 LEU A 56 19.604 -8.330 5.275 1.00 73.11 C ATOM 791 CD2 LEU A 56 17.915 -9.328 6.827 1.00 12.51 C ATOM 0 H LEU A 56 21.421 -12.986 6.447 1.00 33.13 H new ATOM 0 HA LEU A 56 20.340 -10.906 8.257 1.00 31.33 H new ATOM 0 HB2 LEU A 56 20.861 -10.543 5.592 1.00 12.52 H new ATOM 0 HB3 LEU A 56 19.225 -11.168 5.520 1.00 12.52 H new ATOM 0 HG LEU A 56 19.935 -8.848 7.315 1.00 13.24 H new ATOM 0 HD11 LEU A 56 19.208 -7.341 5.508 1.00 73.11 H new ATOM 0 HD12 LEU A 56 20.670 -8.253 5.060 1.00 73.11 H new ATOM 0 HD13 LEU A 56 19.087 -8.732 4.404 1.00 73.11 H new ATOM 0 HD21 LEU A 56 17.542 -8.326 7.038 1.00 12.51 H new ATOM 0 HD22 LEU A 56 17.356 -9.755 5.995 1.00 12.51 H new ATOM 0 HD23 LEU A 56 17.788 -9.955 7.709 1.00 12.51 H new ATOM 803 N VAL A 57 18.651 -12.618 8.874 1.00 53.14 N ATOM 804 CA VAL A 57 17.541 -13.492 9.234 1.00 15.42 C ATOM 805 C VAL A 57 16.244 -12.703 9.375 1.00 54.21 C ATOM 806 O VAL A 57 15.156 -13.230 9.140 1.00 40.31 O ATOM 807 CB VAL A 57 17.820 -14.239 10.552 1.00 55.03 C ATOM 808 CG1 VAL A 57 18.917 -15.274 10.357 1.00 44.51 C ATOM 809 CG2 VAL A 57 18.190 -13.257 11.653 1.00 44.24 C ATOM 0 H VAL A 57 19.077 -12.131 9.662 1.00 53.14 H new ATOM 0 HA VAL A 57 17.436 -14.218 8.428 1.00 15.42 H new ATOM 0 HB VAL A 57 16.912 -14.761 10.853 1.00 55.03 H new ATOM 0 HG11 VAL A 57 19.100 -15.792 11.299 1.00 44.51 H new ATOM 0 HG12 VAL A 57 18.607 -15.995 9.601 1.00 44.51 H new ATOM 0 HG13 VAL A 57 19.831 -14.778 10.032 1.00 44.51 H new ATOM 0 HG21 VAL A 57 18.384 -13.802 12.577 1.00 44.24 H new ATOM 0 HG22 VAL A 57 19.084 -12.705 11.363 1.00 44.24 H new ATOM 0 HG23 VAL A 57 17.368 -12.559 11.809 1.00 44.24 H new ATOM 819 N ARG A 58 16.366 -11.437 9.759 1.00 4.54 N ATOM 820 CA ARG A 58 15.204 -10.574 9.932 1.00 35.42 C ATOM 821 C ARG A 58 14.311 -11.084 11.060 1.00 24.42 C ATOM 822 O ARG A 58 13.160 -10.669 11.191 1.00 74.41 O ATOM 823 CB ARG A 58 14.403 -10.495 8.631 1.00 41.21 C ATOM 824 CG ARG A 58 13.602 -9.211 8.486 1.00 45.01 C ATOM 825 CD ARG A 58 12.204 -9.484 7.954 1.00 42.41 C ATOM 826 NE ARG A 58 11.295 -9.928 9.007 1.00 50.02 N ATOM 827 CZ ARG A 58 10.745 -9.109 9.897 1.00 63.40 C ATOM 828 NH1 ARG A 58 11.011 -7.811 9.861 1.00 11.11 N ATOM 829 NH2 ARG A 58 9.927 -9.589 10.825 1.00 25.32 N ATOM 0 H ARG A 58 17.259 -10.986 9.956 1.00 4.54 H new ATOM 0 HA ARG A 58 15.559 -9.577 10.194 1.00 35.42 H new ATOM 0 HB2 ARG A 58 15.087 -10.584 7.787 1.00 41.21 H new ATOM 0 HB3 ARG A 58 13.723 -11.345 8.581 1.00 41.21 H new ATOM 0 HG2 ARG A 58 13.534 -8.712 9.453 1.00 45.01 H new ATOM 0 HG3 ARG A 58 14.122 -8.530 7.812 1.00 45.01 H new ATOM 0 HD2 ARG A 58 11.809 -8.579 7.492 1.00 42.41 H new ATOM 0 HD3 ARG A 58 12.255 -10.244 7.175 1.00 42.41 H new ATOM 0 HE ARG A 58 11.070 -10.921 9.062 1.00 50.02 H new ATOM 0 HH11 ARG A 58 11.639 -7.439 9.149 1.00 11.11 H new ATOM 0 HH12 ARG A 58 10.587 -7.184 10.545 1.00 11.11 H new ATOM 0 HH21 ARG A 58 9.720 -10.587 10.855 1.00 25.32 H new ATOM 0 HH22 ARG A 58 9.505 -8.960 11.508 1.00 25.32 H new ATOM 843 N PHE A 59 14.851 -11.987 11.872 1.00 3.05 N ATOM 844 CA PHE A 59 14.104 -12.555 12.989 1.00 62.15 C ATOM 845 C PHE A 59 14.928 -12.514 14.272 1.00 45.00 C ATOM 846 O PHE A 59 16.155 -12.607 14.238 1.00 61.03 O ATOM 847 CB PHE A 59 13.697 -13.997 12.676 1.00 3.34 C ATOM 848 CG PHE A 59 12.475 -14.100 11.810 1.00 35.23 C ATOM 849 CD1 PHE A 59 11.214 -13.870 12.338 1.00 42.02 C ATOM 850 CD2 PHE A 59 12.585 -14.428 10.469 1.00 64.43 C ATOM 851 CE1 PHE A 59 10.087 -13.964 11.544 1.00 71.14 C ATOM 852 CE2 PHE A 59 11.462 -14.524 9.670 1.00 51.45 C ATOM 853 CZ PHE A 59 10.211 -14.292 10.208 1.00 60.42 C ATOM 0 H PHE A 59 15.803 -12.341 11.778 1.00 3.05 H new ATOM 0 HA PHE A 59 13.206 -11.955 13.136 1.00 62.15 H new ATOM 0 HB2 PHE A 59 14.527 -14.501 12.181 1.00 3.34 H new ATOM 0 HB3 PHE A 59 13.515 -14.526 13.612 1.00 3.34 H new ATOM 0 HD1 PHE A 59 11.111 -13.614 13.382 1.00 42.02 H new ATOM 0 HD2 PHE A 59 13.560 -14.611 10.043 1.00 64.43 H new ATOM 0 HE1 PHE A 59 9.110 -13.781 11.967 1.00 71.14 H new ATOM 0 HE2 PHE A 59 11.562 -14.780 8.626 1.00 51.45 H new ATOM 0 HZ PHE A 59 9.332 -14.367 9.585 1.00 60.42 H new ATOM 863 N ALA A 60 14.245 -12.373 15.403 1.00 71.21 N ATOM 864 CA ALA A 60 14.912 -12.321 16.698 1.00 64.04 C ATOM 865 C ALA A 60 15.345 -13.712 17.149 1.00 75.11 C ATOM 866 O ALA A 60 15.990 -13.867 18.185 1.00 43.44 O ATOM 867 CB ALA A 60 14.000 -11.687 17.737 1.00 51.32 C ATOM 0 H ALA A 60 13.229 -12.293 15.449 1.00 71.21 H new ATOM 0 HA ALA A 60 15.806 -11.707 16.593 1.00 64.04 H new ATOM 0 HB1 ALA A 60 14.511 -11.655 18.699 1.00 51.32 H new ATOM 0 HB2 ALA A 60 13.745 -10.673 17.428 1.00 51.32 H new ATOM 0 HB3 ALA A 60 13.089 -12.278 17.830 1.00 51.32 H new ATOM 873 N GLY A 61 14.983 -14.723 16.364 1.00 11.14 N ATOM 874 CA GLY A 61 15.341 -16.088 16.701 1.00 24.30 C ATOM 875 C GLY A 61 16.497 -16.606 15.868 1.00 20.42 C ATOM 876 O GLY A 61 16.747 -17.811 15.822 1.00 71.20 O ATOM 0 H GLY A 61 14.449 -14.621 15.501 1.00 11.14 H new ATOM 0 HA2 GLY A 61 15.606 -16.141 17.757 1.00 24.30 H new ATOM 0 HA3 GLY A 61 14.475 -16.734 16.557 1.00 24.30 H new ATOM 880 N TYR A 62 17.203 -15.696 15.207 1.00 13.32 N ATOM 881 CA TYR A 62 18.336 -16.068 14.368 1.00 12.33 C ATOM 882 C TYR A 62 17.955 -17.187 13.404 1.00 42.23 C ATOM 883 O TYR A 62 18.418 -18.320 13.534 1.00 24.52 O ATOM 884 CB TYR A 62 19.517 -16.506 15.236 1.00 71.54 C ATOM 885 CG TYR A 62 19.748 -15.619 16.437 1.00 3.25 C ATOM 886 CD1 TYR A 62 20.246 -14.330 16.289 1.00 63.31 C ATOM 887 CD2 TYR A 62 19.468 -16.069 17.722 1.00 51.40 C ATOM 888 CE1 TYR A 62 20.460 -13.516 17.384 1.00 31.44 C ATOM 889 CE2 TYR A 62 19.677 -15.261 18.823 1.00 30.02 C ATOM 890 CZ TYR A 62 20.174 -13.986 18.649 1.00 34.02 C ATOM 891 OH TYR A 62 20.384 -13.178 19.743 1.00 54.31 O ATOM 0 H TYR A 62 17.011 -14.695 15.236 1.00 13.32 H new ATOM 0 HA TYR A 62 18.627 -15.194 13.785 1.00 12.33 H new ATOM 0 HB2 TYR A 62 19.347 -17.527 15.577 1.00 71.54 H new ATOM 0 HB3 TYR A 62 20.420 -16.519 14.626 1.00 71.54 H new ATOM 0 HD1 TYR A 62 20.470 -13.958 15.300 1.00 63.31 H new ATOM 0 HD2 TYR A 62 19.080 -17.067 17.862 1.00 51.40 H new ATOM 0 HE1 TYR A 62 20.849 -12.517 17.251 1.00 31.44 H new ATOM 0 HE2 TYR A 62 19.452 -15.626 19.814 1.00 30.02 H new ATOM 0 HH TYR A 62 20.131 -13.659 20.558 1.00 54.31 H new ATOM 901 N THR A 63 17.108 -16.860 12.433 1.00 14.11 N ATOM 902 CA THR A 63 16.663 -17.835 11.446 1.00 61.52 C ATOM 903 C THR A 63 15.692 -17.208 10.452 1.00 64.54 C ATOM 904 O THR A 63 14.967 -16.271 10.784 1.00 43.43 O ATOM 905 CB THR A 63 15.984 -19.044 12.117 1.00 73.13 C ATOM 906 OG1 THR A 63 15.384 -19.883 11.123 1.00 14.31 O ATOM 907 CG2 THR A 63 14.925 -18.588 13.109 1.00 11.31 C ATOM 0 H THR A 63 16.716 -15.926 12.309 1.00 14.11 H new ATOM 0 HA THR A 63 17.552 -18.175 10.915 1.00 61.52 H new ATOM 0 HB THR A 63 16.746 -19.607 12.656 1.00 73.13 H new ATOM 0 HG1 THR A 63 14.956 -20.650 11.557 1.00 14.31 H new ATOM 0 HG21 THR A 63 14.459 -19.459 13.570 1.00 11.31 H new ATOM 0 HG22 THR A 63 15.390 -17.974 13.880 1.00 11.31 H new ATOM 0 HG23 THR A 63 14.166 -18.004 12.588 1.00 11.31 H new ATOM 915 N VAL A 64 15.683 -17.733 9.230 1.00 12.41 N ATOM 916 CA VAL A 64 14.799 -17.225 8.187 1.00 21.03 C ATOM 917 C VAL A 64 14.385 -18.336 7.229 1.00 44.03 C ATOM 918 O VAL A 64 15.089 -19.336 7.078 1.00 54.32 O ATOM 919 CB VAL A 64 15.469 -16.093 7.386 1.00 61.33 C ATOM 920 CG1 VAL A 64 16.626 -16.636 6.560 1.00 55.11 C ATOM 921 CG2 VAL A 64 14.451 -15.395 6.498 1.00 55.15 C ATOM 0 H VAL A 64 16.277 -18.509 8.938 1.00 12.41 H new ATOM 0 HA VAL A 64 13.913 -16.831 8.686 1.00 21.03 H new ATOM 0 HB VAL A 64 15.867 -15.361 8.088 1.00 61.33 H new ATOM 0 HG11 VAL A 64 17.087 -15.822 6.001 1.00 55.11 H new ATOM 0 HG12 VAL A 64 17.366 -17.086 7.222 1.00 55.11 H new ATOM 0 HG13 VAL A 64 16.255 -17.389 5.865 1.00 55.11 H new ATOM 0 HG21 VAL A 64 14.941 -14.598 5.939 1.00 55.15 H new ATOM 0 HG22 VAL A 64 14.021 -16.115 5.802 1.00 55.15 H new ATOM 0 HG23 VAL A 64 13.659 -14.971 7.116 1.00 55.15 H new ATOM 931 N THR A 65 13.239 -18.155 6.581 1.00 53.31 N ATOM 932 CA THR A 65 12.730 -19.142 5.637 1.00 50.42 C ATOM 933 C THR A 65 13.552 -19.149 4.353 1.00 53.21 C ATOM 934 O THR A 65 14.383 -20.031 4.143 1.00 23.11 O ATOM 935 CB THR A 65 11.254 -18.875 5.287 1.00 72.25 C ATOM 936 OG1 THR A 65 10.927 -17.506 5.550 1.00 63.04 O ATOM 937 CG2 THR A 65 10.335 -19.784 6.089 1.00 72.14 C ATOM 0 H THR A 65 12.645 -17.333 6.693 1.00 53.31 H new ATOM 0 HA THR A 65 12.810 -20.115 6.122 1.00 50.42 H new ATOM 0 HB THR A 65 11.112 -19.084 4.227 1.00 72.25 H new ATOM 0 HG1 THR A 65 9.955 -17.412 5.635 1.00 63.04 H new ATOM 0 HG21 THR A 65 9.298 -19.577 5.825 1.00 72.14 H new ATOM 0 HG22 THR A 65 10.566 -20.825 5.864 1.00 72.14 H new ATOM 0 HG23 THR A 65 10.482 -19.602 7.154 1.00 72.14 H new ATOM 945 N GLU A 66 13.313 -18.159 3.497 1.00 24.55 N ATOM 946 CA GLU A 66 14.033 -18.053 2.234 1.00 72.54 C ATOM 947 C GLU A 66 14.033 -16.614 1.727 1.00 63.01 C ATOM 948 O GLU A 66 13.638 -15.692 2.442 1.00 70.03 O ATOM 949 CB GLU A 66 13.405 -18.975 1.185 1.00 2.52 C ATOM 950 CG GLU A 66 11.997 -18.569 0.784 1.00 33.52 C ATOM 951 CD GLU A 66 10.983 -19.671 1.023 1.00 34.21 C ATOM 952 OE1 GLU A 66 10.896 -20.161 2.168 1.00 3.25 O ATOM 953 OE2 GLU A 66 10.275 -20.043 0.064 1.00 73.33 O ATOM 0 H GLU A 66 12.627 -17.421 3.656 1.00 24.55 H new ATOM 0 HA GLU A 66 15.065 -18.359 2.406 1.00 72.54 H new ATOM 0 HB2 GLU A 66 14.038 -18.986 0.298 1.00 2.52 H new ATOM 0 HB3 GLU A 66 13.384 -19.993 1.574 1.00 2.52 H new ATOM 0 HG2 GLU A 66 11.704 -17.682 1.346 1.00 33.52 H new ATOM 0 HG3 GLU A 66 11.988 -18.295 -0.271 1.00 33.52 H new ATOM 960 N LEU A 67 14.480 -16.429 0.490 1.00 42.13 N ATOM 961 CA LEU A 67 14.533 -15.102 -0.114 1.00 43.11 C ATOM 962 C LEU A 67 13.130 -14.541 -0.320 1.00 40.11 C ATOM 963 O LEU A 67 12.931 -13.327 -0.324 1.00 52.51 O ATOM 964 CB LEU A 67 15.274 -15.158 -1.451 1.00 41.23 C ATOM 965 CG LEU A 67 14.791 -16.217 -2.442 1.00 62.43 C ATOM 966 CD1 LEU A 67 13.801 -15.615 -3.427 1.00 60.32 C ATOM 967 CD2 LEU A 67 15.971 -16.835 -3.179 1.00 75.23 C ATOM 0 H LEU A 67 14.811 -17.181 -0.115 1.00 42.13 H new ATOM 0 HA LEU A 67 15.072 -14.442 0.566 1.00 43.11 H new ATOM 0 HB2 LEU A 67 15.196 -14.181 -1.928 1.00 41.23 H new ATOM 0 HB3 LEU A 67 16.331 -15.332 -1.251 1.00 41.23 H new ATOM 0 HG LEU A 67 14.284 -17.004 -1.884 1.00 62.43 H new ATOM 0 HD11 LEU A 67 13.468 -16.384 -4.124 1.00 60.32 H new ATOM 0 HD12 LEU A 67 12.942 -15.221 -2.884 1.00 60.32 H new ATOM 0 HD13 LEU A 67 14.282 -14.808 -3.979 1.00 60.32 H new ATOM 0 HD21 LEU A 67 15.609 -17.587 -3.880 1.00 75.23 H new ATOM 0 HD22 LEU A 67 16.507 -16.058 -3.724 1.00 75.23 H new ATOM 0 HD23 LEU A 67 16.644 -17.303 -2.461 1.00 75.23 H new ATOM 979 N ALA A 68 12.160 -15.434 -0.489 1.00 2.20 N ATOM 980 CA ALA A 68 10.775 -15.028 -0.691 1.00 51.00 C ATOM 981 C ALA A 68 10.252 -14.243 0.507 1.00 24.25 C ATOM 982 O ALA A 68 9.517 -13.269 0.351 1.00 44.34 O ATOM 983 CB ALA A 68 9.900 -16.246 -0.949 1.00 24.13 C ATOM 0 H ALA A 68 12.308 -16.443 -0.490 1.00 2.20 H new ATOM 0 HA ALA A 68 10.738 -14.376 -1.564 1.00 51.00 H new ATOM 0 HB1 ALA A 68 8.868 -15.928 -1.098 1.00 24.13 H new ATOM 0 HB2 ALA A 68 10.252 -16.765 -1.841 1.00 24.13 H new ATOM 0 HB3 ALA A 68 9.952 -16.919 -0.093 1.00 24.13 H new ATOM 989 N ALA A 69 10.636 -14.675 1.704 1.00 10.04 N ATOM 990 CA ALA A 69 10.207 -14.012 2.929 1.00 11.44 C ATOM 991 C ALA A 69 10.834 -12.627 3.052 1.00 13.14 C ATOM 992 O ALA A 69 10.150 -11.650 3.360 1.00 23.35 O ATOM 993 CB ALA A 69 10.559 -14.862 4.141 1.00 12.11 C ATOM 0 H ALA A 69 11.243 -15.481 1.851 1.00 10.04 H new ATOM 0 HA ALA A 69 9.125 -13.890 2.887 1.00 11.44 H new ATOM 0 HB1 ALA A 69 10.233 -14.354 5.049 1.00 12.11 H new ATOM 0 HB2 ALA A 69 10.059 -15.828 4.066 1.00 12.11 H new ATOM 0 HB3 ALA A 69 11.638 -15.014 4.178 1.00 12.11 H new ATOM 999 N PHE A 70 12.138 -12.549 2.810 1.00 21.44 N ATOM 1000 CA PHE A 70 12.858 -11.284 2.896 1.00 55.22 C ATOM 1001 C PHE A 70 12.428 -10.338 1.778 1.00 1.54 C ATOM 1002 O PHE A 70 12.358 -9.124 1.971 1.00 61.53 O ATOM 1003 CB PHE A 70 14.367 -11.525 2.823 1.00 12.13 C ATOM 1004 CG PHE A 70 15.175 -10.259 2.782 1.00 33.45 C ATOM 1005 CD1 PHE A 70 15.489 -9.661 1.573 1.00 73.12 C ATOM 1006 CD2 PHE A 70 15.620 -9.668 3.954 1.00 54.34 C ATOM 1007 CE1 PHE A 70 16.233 -8.497 1.532 1.00 33.15 C ATOM 1008 CE2 PHE A 70 16.364 -8.503 3.920 1.00 73.34 C ATOM 1009 CZ PHE A 70 16.670 -7.917 2.707 1.00 14.23 C ATOM 0 H PHE A 70 12.718 -13.347 2.553 1.00 21.44 H new ATOM 0 HA PHE A 70 12.617 -10.822 3.853 1.00 55.22 H new ATOM 0 HB2 PHE A 70 14.675 -12.115 3.686 1.00 12.13 H new ATOM 0 HB3 PHE A 70 14.590 -12.118 1.936 1.00 12.13 H new ATOM 0 HD1 PHE A 70 15.149 -10.109 0.651 1.00 73.12 H new ATOM 0 HD2 PHE A 70 15.383 -10.123 4.905 1.00 54.34 H new ATOM 0 HE1 PHE A 70 16.472 -8.041 0.582 1.00 33.15 H new ATOM 0 HE2 PHE A 70 16.705 -8.052 4.840 1.00 73.34 H new ATOM 0 HZ PHE A 70 17.250 -7.007 2.677 1.00 14.23 H new ATOM 1019 N ASN A 71 12.142 -10.903 0.610 1.00 41.41 N ATOM 1020 CA ASN A 71 11.721 -10.110 -0.539 1.00 54.05 C ATOM 1021 C ASN A 71 10.303 -9.581 -0.345 1.00 74.42 C ATOM 1022 O ASN A 71 10.005 -8.432 -0.674 1.00 63.41 O ATOM 1023 CB ASN A 71 11.794 -10.948 -1.818 1.00 11.14 C ATOM 1024 CG ASN A 71 11.859 -10.091 -3.067 1.00 62.54 C ATOM 1025 OD1 ASN A 71 12.861 -9.424 -3.324 1.00 41.22 O ATOM 1026 ND2 ASN A 71 10.788 -10.107 -3.852 1.00 33.03 N ATOM 0 H ASN A 71 12.194 -11.906 0.434 1.00 41.41 H new ATOM 0 HA ASN A 71 12.398 -9.260 -0.630 1.00 54.05 H new ATOM 0 HB2 ASN A 71 12.672 -11.593 -1.777 1.00 11.14 H new ATOM 0 HB3 ASN A 71 10.922 -11.600 -1.873 1.00 11.14 H new ATOM 0 HD21 ASN A 71 10.774 -9.551 -4.707 1.00 33.03 H new ATOM 0 HD22 ASN A 71 9.979 -10.675 -3.600 1.00 33.03 H new ATOM 1033 N THR A 72 9.430 -10.428 0.192 1.00 13.02 N ATOM 1034 CA THR A 72 8.043 -10.047 0.430 1.00 21.42 C ATOM 1035 C THR A 72 7.948 -8.938 1.471 1.00 4.21 C ATOM 1036 O THR A 72 7.206 -7.972 1.297 1.00 13.54 O ATOM 1037 CB THR A 72 7.203 -11.250 0.900 1.00 23.05 C ATOM 1038 OG1 THR A 72 7.177 -12.257 -0.117 1.00 24.30 O ATOM 1039 CG2 THR A 72 5.782 -10.821 1.233 1.00 42.24 C ATOM 0 H THR A 72 9.659 -11.382 0.470 1.00 13.02 H new ATOM 0 HA THR A 72 7.647 -9.685 -0.519 1.00 21.42 H new ATOM 0 HB THR A 72 7.663 -11.656 1.801 1.00 23.05 H new ATOM 0 HG1 THR A 72 7.777 -12.990 0.133 1.00 24.30 H new ATOM 0 HG21 THR A 72 5.208 -11.687 1.562 1.00 42.24 H new ATOM 0 HG22 THR A 72 5.804 -10.076 2.029 1.00 42.24 H new ATOM 0 HG23 THR A 72 5.314 -10.392 0.347 1.00 42.24 H new ATOM 1047 N VAL A 73 8.706 -9.082 2.554 1.00 61.12 N ATOM 1048 CA VAL A 73 8.709 -8.090 3.623 1.00 72.53 C ATOM 1049 C VAL A 73 9.252 -6.754 3.131 1.00 52.44 C ATOM 1050 O VAL A 73 8.655 -5.703 3.368 1.00 74.42 O ATOM 1051 CB VAL A 73 9.549 -8.563 4.824 1.00 2.50 C ATOM 1052 CG1 VAL A 73 9.596 -7.487 5.899 1.00 61.03 C ATOM 1053 CG2 VAL A 73 8.994 -9.863 5.384 1.00 72.41 C ATOM 0 H VAL A 73 9.326 -9.876 2.714 1.00 61.12 H new ATOM 0 HA VAL A 73 7.674 -7.963 3.941 1.00 72.53 H new ATOM 0 HB VAL A 73 10.568 -8.747 4.482 1.00 2.50 H new ATOM 0 HG11 VAL A 73 10.194 -7.839 6.740 1.00 61.03 H new ATOM 0 HG12 VAL A 73 10.044 -6.582 5.489 1.00 61.03 H new ATOM 0 HG13 VAL A 73 8.584 -7.268 6.240 1.00 61.03 H new ATOM 0 HG21 VAL A 73 9.600 -10.182 6.232 1.00 72.41 H new ATOM 0 HG22 VAL A 73 7.966 -9.709 5.711 1.00 72.41 H new ATOM 0 HG23 VAL A 73 9.018 -10.632 4.611 1.00 72.41 H new ATOM 1063 N VAL A 74 10.388 -6.800 2.443 1.00 45.40 N ATOM 1064 CA VAL A 74 11.012 -5.592 1.915 1.00 22.03 C ATOM 1065 C VAL A 74 10.164 -4.974 0.810 1.00 50.43 C ATOM 1066 O VAL A 74 10.069 -3.752 0.696 1.00 14.13 O ATOM 1067 CB VAL A 74 12.421 -5.883 1.365 1.00 50.43 C ATOM 1068 CG1 VAL A 74 13.025 -4.628 0.753 1.00 12.40 C ATOM 1069 CG2 VAL A 74 13.318 -6.435 2.462 1.00 32.40 C ATOM 0 H VAL A 74 10.895 -7.661 2.238 1.00 45.40 H new ATOM 0 HA VAL A 74 11.092 -4.888 2.744 1.00 22.03 H new ATOM 0 HB VAL A 74 12.338 -6.637 0.582 1.00 50.43 H new ATOM 0 HG11 VAL A 74 14.020 -4.853 0.370 1.00 12.40 H new ATOM 0 HG12 VAL A 74 12.392 -4.280 -0.063 1.00 12.40 H new ATOM 0 HG13 VAL A 74 13.096 -3.850 1.513 1.00 12.40 H new ATOM 0 HG21 VAL A 74 14.309 -6.635 2.055 1.00 32.40 H new ATOM 0 HG22 VAL A 74 13.397 -5.706 3.269 1.00 32.40 H new ATOM 0 HG23 VAL A 74 12.892 -7.360 2.849 1.00 32.40 H new ATOM 1079 N ALA A 75 9.549 -5.826 -0.004 1.00 11.14 N ATOM 1080 CA ALA A 75 8.706 -5.363 -1.099 1.00 60.42 C ATOM 1081 C ALA A 75 7.407 -4.760 -0.576 1.00 4.54 C ATOM 1082 O ALA A 75 6.972 -3.705 -1.037 1.00 50.41 O ATOM 1083 CB ALA A 75 8.410 -6.508 -2.057 1.00 33.24 C ATOM 0 H ALA A 75 9.619 -6.841 0.074 1.00 11.14 H new ATOM 0 HA ALA A 75 9.247 -4.584 -1.636 1.00 60.42 H new ATOM 0 HB1 ALA A 75 7.779 -6.148 -2.870 1.00 33.24 H new ATOM 0 HB2 ALA A 75 9.345 -6.892 -2.465 1.00 33.24 H new ATOM 0 HB3 ALA A 75 7.893 -7.305 -1.523 1.00 33.24 H new ATOM 1089 N ARG A 76 6.793 -5.435 0.390 1.00 71.42 N ATOM 1090 CA ARG A 76 5.543 -4.966 0.974 1.00 14.15 C ATOM 1091 C ARG A 76 5.780 -3.742 1.854 1.00 54.30 C ATOM 1092 O ARG A 76 4.897 -2.898 2.012 1.00 0.34 O ATOM 1093 CB ARG A 76 4.890 -6.079 1.796 1.00 14.22 C ATOM 1094 CG ARG A 76 4.318 -7.205 0.951 1.00 65.34 C ATOM 1095 CD ARG A 76 3.322 -6.684 -0.073 1.00 11.43 C ATOM 1096 NE ARG A 76 2.297 -7.674 -0.393 1.00 3.30 N ATOM 1097 CZ ARG A 76 1.322 -8.018 0.440 1.00 14.43 C ATOM 1098 NH1 ARG A 76 1.238 -7.454 1.637 1.00 3.15 N ATOM 1099 NH2 ARG A 76 0.426 -8.927 0.076 1.00 3.14 N ATOM 0 H ARG A 76 7.141 -6.309 0.785 1.00 71.42 H new ATOM 0 HA ARG A 76 4.874 -4.684 0.161 1.00 14.15 H new ATOM 0 HB2 ARG A 76 5.628 -6.491 2.484 1.00 14.22 H new ATOM 0 HB3 ARG A 76 4.092 -5.651 2.403 1.00 14.22 H new ATOM 0 HG2 ARG A 76 5.128 -7.725 0.440 1.00 65.34 H new ATOM 0 HG3 ARG A 76 3.829 -7.934 1.597 1.00 65.34 H new ATOM 0 HD2 ARG A 76 2.847 -5.781 0.311 1.00 11.43 H new ATOM 0 HD3 ARG A 76 3.852 -6.403 -0.983 1.00 11.43 H new ATOM 0 HE ARG A 76 2.332 -8.126 -1.307 1.00 3.30 H new ATOM 0 HH11 ARG A 76 1.924 -6.754 1.920 1.00 3.15 H new ATOM 0 HH12 ARG A 76 0.488 -7.720 2.275 1.00 3.15 H new ATOM 0 HH21 ARG A 76 0.486 -9.362 -0.845 1.00 3.14 H new ATOM 0 HH22 ARG A 76 -0.323 -9.190 0.717 1.00 3.14 H new ATOM 1113 N HIS A 77 6.977 -3.652 2.424 1.00 30.14 N ATOM 1114 CA HIS A 77 7.330 -2.531 3.288 1.00 23.11 C ATOM 1115 C HIS A 77 7.671 -1.295 2.462 1.00 42.24 C ATOM 1116 O HIS A 77 6.835 -0.411 2.274 1.00 1.22 O ATOM 1117 CB HIS A 77 8.513 -2.903 4.183 1.00 0.51 C ATOM 1118 CG HIS A 77 8.124 -3.698 5.391 1.00 74.12 C ATOM 1119 ND1 HIS A 77 7.008 -4.508 5.431 1.00 3.10 N ATOM 1120 CD2 HIS A 77 8.709 -3.806 6.606 1.00 23.33 C ATOM 1121 CE1 HIS A 77 6.924 -5.078 6.620 1.00 72.45 C ATOM 1122 NE2 HIS A 77 7.944 -4.670 7.351 1.00 4.45 N ATOM 0 H HIS A 77 7.719 -4.342 2.303 1.00 30.14 H new ATOM 0 HA HIS A 77 6.468 -2.301 3.914 1.00 23.11 H new ATOM 0 HB2 HIS A 77 9.234 -3.475 3.599 1.00 0.51 H new ATOM 0 HB3 HIS A 77 9.015 -1.991 4.505 1.00 0.51 H new ATOM 0 HD2 HIS A 77 9.610 -3.306 6.930 1.00 23.33 H new ATOM 0 HE1 HIS A 77 6.152 -5.762 6.939 1.00 72.45 H new ATOM 0 HE2 HIS A 77 8.134 -4.951 8.313 1.00 4.45 H new ATOM 1130 N VAL A 78 8.905 -1.239 1.970 1.00 70.11 N ATOM 1131 CA VAL A 78 9.356 -0.112 1.163 1.00 4.43 C ATOM 1132 C VAL A 78 8.755 1.197 1.663 1.00 5.32 C ATOM 1133 O VAL A 78 8.302 2.026 0.873 1.00 24.24 O ATOM 1134 CB VAL A 78 8.987 -0.299 -0.320 1.00 65.53 C ATOM 1135 CG1 VAL A 78 7.477 -0.353 -0.492 1.00 61.44 C ATOM 1136 CG2 VAL A 78 9.589 0.815 -1.164 1.00 20.53 C ATOM 0 H VAL A 78 9.610 -1.961 2.117 1.00 70.11 H new ATOM 0 HA VAL A 78 10.441 -0.070 1.257 1.00 4.43 H new ATOM 0 HB VAL A 78 9.402 -1.247 -0.663 1.00 65.53 H new ATOM 0 HG11 VAL A 78 7.235 -0.485 -1.547 1.00 61.44 H new ATOM 0 HG12 VAL A 78 7.075 -1.189 0.080 1.00 61.44 H new ATOM 0 HG13 VAL A 78 7.036 0.577 -0.133 1.00 61.44 H new ATOM 0 HG21 VAL A 78 9.318 0.667 -2.209 1.00 20.53 H new ATOM 0 HG22 VAL A 78 9.207 1.777 -0.823 1.00 20.53 H new ATOM 0 HG23 VAL A 78 10.674 0.800 -1.065 1.00 20.53 H new ATOM 1146 N ARG A 79 8.755 1.377 2.980 1.00 4.00 N ATOM 1147 CA ARG A 79 8.209 2.585 3.586 1.00 4.41 C ATOM 1148 C ARG A 79 9.174 3.757 3.426 1.00 13.14 C ATOM 1149 O ARG A 79 10.370 3.581 3.194 1.00 52.44 O ATOM 1150 CB ARG A 79 7.917 2.350 5.069 1.00 12.31 C ATOM 1151 CG ARG A 79 6.473 1.969 5.352 1.00 30.11 C ATOM 1152 CD ARG A 79 6.385 0.689 6.169 1.00 14.42 C ATOM 1153 NE ARG A 79 5.012 0.386 6.565 1.00 11.50 N ATOM 1154 CZ ARG A 79 4.399 0.963 7.593 1.00 41.42 C ATOM 1155 NH1 ARG A 79 5.034 1.869 8.324 1.00 51.00 N ATOM 1156 NH2 ARG A 79 3.148 0.635 7.891 1.00 65.14 N ATOM 0 H ARG A 79 9.127 0.701 3.647 1.00 4.00 H new ATOM 0 HA ARG A 79 7.278 2.830 3.074 1.00 4.41 H new ATOM 0 HB2 ARG A 79 8.571 1.561 5.439 1.00 12.31 H new ATOM 0 HB3 ARG A 79 8.161 3.254 5.627 1.00 12.31 H new ATOM 0 HG2 ARG A 79 5.980 2.779 5.889 1.00 30.11 H new ATOM 0 HG3 ARG A 79 5.939 1.839 4.411 1.00 30.11 H new ATOM 0 HD2 ARG A 79 6.786 -0.141 5.587 1.00 14.42 H new ATOM 0 HD3 ARG A 79 7.007 0.784 7.059 1.00 14.42 H new ATOM 0 HE ARG A 79 4.496 -0.306 6.023 1.00 11.50 H new ATOM 0 HH11 ARG A 79 5.995 2.124 8.098 1.00 51.00 H new ATOM 0 HH12 ARG A 79 4.561 2.311 9.113 1.00 51.00 H new ATOM 0 HH21 ARG A 79 2.656 -0.061 7.331 1.00 65.14 H new ATOM 0 HH22 ARG A 79 2.679 1.079 8.680 1.00 65.14 H new ATOM 1170 N PRO A 80 8.643 4.982 3.554 1.00 52.33 N ATOM 1171 CA PRO A 80 9.439 6.207 3.427 1.00 34.14 C ATOM 1172 C PRO A 80 10.401 6.396 4.595 1.00 61.11 C ATOM 1173 O PRO A 80 10.052 7.002 5.608 1.00 72.02 O ATOM 1174 CB PRO A 80 8.384 7.316 3.419 1.00 13.10 C ATOM 1175 CG PRO A 80 7.219 6.737 4.146 1.00 62.14 C ATOM 1176 CD PRO A 80 7.225 5.266 3.831 1.00 12.43 C ATOM 0 HA PRO A 80 10.070 6.193 2.538 1.00 34.14 H new ATOM 0 HB2 PRO A 80 8.752 8.215 3.913 1.00 13.10 H new ATOM 0 HB3 PRO A 80 8.115 7.599 2.401 1.00 13.10 H new ATOM 0 HG2 PRO A 80 7.305 6.907 5.219 1.00 62.14 H new ATOM 0 HG3 PRO A 80 6.287 7.202 3.823 1.00 62.14 H new ATOM 0 HD2 PRO A 80 6.853 4.674 4.667 1.00 12.43 H new ATOM 0 HD3 PRO A 80 6.594 5.036 2.972 1.00 12.43 H new ATOM 1184 N SER A 81 11.614 5.874 4.446 1.00 23.53 N ATOM 1185 CA SER A 81 12.626 5.982 5.490 1.00 4.14 C ATOM 1186 C SER A 81 12.146 5.328 6.782 1.00 24.04 C ATOM 1187 O SER A 81 11.983 5.994 7.804 1.00 34.33 O ATOM 1188 CB SER A 81 12.970 7.451 5.746 1.00 22.31 C ATOM 1189 OG SER A 81 14.002 7.891 4.880 1.00 13.30 O ATOM 0 H SER A 81 11.920 5.372 3.612 1.00 23.53 H new ATOM 0 HA SER A 81 13.521 5.460 5.150 1.00 4.14 H new ATOM 0 HB2 SER A 81 12.082 8.066 5.601 1.00 22.31 H new ATOM 0 HB3 SER A 81 13.281 7.580 6.783 1.00 22.31 H new ATOM 0 HG SER A 81 14.202 8.833 5.062 1.00 13.30 H new ATOM 1195 N ALA A 82 11.923 4.019 6.728 1.00 54.11 N ATOM 1196 CA ALA A 82 11.463 3.273 7.893 1.00 4.41 C ATOM 1197 C ALA A 82 12.518 2.274 8.356 1.00 71.33 C ATOM 1198 O ALA A 82 13.028 1.484 7.562 1.00 65.42 O ATOM 1199 CB ALA A 82 10.157 2.559 7.581 1.00 32.11 C ATOM 0 H ALA A 82 12.054 3.453 5.890 1.00 54.11 H new ATOM 0 HA ALA A 82 11.291 3.982 8.703 1.00 4.41 H new ATOM 0 HB1 ALA A 82 9.826 2.006 8.460 1.00 32.11 H new ATOM 0 HB2 ALA A 82 9.398 3.292 7.306 1.00 32.11 H new ATOM 0 HB3 ALA A 82 10.310 1.867 6.753 1.00 32.11 H new ATOM 1205 N SER A 83 12.840 2.314 9.645 1.00 42.34 N ATOM 1206 CA SER A 83 13.838 1.415 10.212 1.00 72.42 C ATOM 1207 C SER A 83 13.170 0.287 10.993 1.00 64.54 C ATOM 1208 O SER A 83 12.491 0.526 11.991 1.00 31.12 O ATOM 1209 CB SER A 83 14.792 2.187 11.125 1.00 53.32 C ATOM 1210 OG SER A 83 14.585 3.585 11.013 1.00 61.33 O ATOM 0 H SER A 83 12.424 2.960 10.316 1.00 42.34 H new ATOM 0 HA SER A 83 14.407 0.979 9.391 1.00 72.42 H new ATOM 0 HB2 SER A 83 14.643 1.876 12.159 1.00 53.32 H new ATOM 0 HB3 SER A 83 15.823 1.947 10.865 1.00 53.32 H new ATOM 0 HG SER A 83 15.205 4.056 11.607 1.00 61.33 H new ATOM 1216 N ILE A 84 13.370 -0.943 10.530 1.00 55.00 N ATOM 1217 CA ILE A 84 12.789 -2.108 11.185 1.00 75.42 C ATOM 1218 C ILE A 84 13.860 -2.936 11.886 1.00 21.12 C ATOM 1219 O ILE A 84 15.036 -2.913 11.521 1.00 53.00 O ATOM 1220 CB ILE A 84 12.040 -3.004 10.180 1.00 40.01 C ATOM 1221 CG1 ILE A 84 12.912 -3.268 8.951 1.00 60.02 C ATOM 1222 CG2 ILE A 84 10.724 -2.358 9.774 1.00 73.55 C ATOM 1223 CD1 ILE A 84 12.792 -4.678 8.417 1.00 63.24 C ATOM 0 H ILE A 84 13.929 -1.158 9.705 1.00 55.00 H new ATOM 0 HA ILE A 84 12.081 -1.733 11.924 1.00 75.42 H new ATOM 0 HB ILE A 84 11.821 -3.959 10.659 1.00 40.01 H new ATOM 0 HG12 ILE A 84 12.639 -2.565 8.164 1.00 60.02 H new ATOM 0 HG13 ILE A 84 13.954 -3.072 9.206 1.00 60.02 H new ATOM 0 HG21 ILE A 84 10.206 -3.003 9.064 1.00 73.55 H new ATOM 0 HG22 ILE A 84 10.101 -2.216 10.657 1.00 73.55 H new ATOM 0 HG23 ILE A 84 10.921 -1.392 9.310 1.00 73.55 H new ATOM 0 HD11 ILE A 84 13.437 -4.793 7.546 1.00 63.24 H new ATOM 0 HD12 ILE A 84 13.094 -5.386 9.189 1.00 63.24 H new ATOM 0 HD13 ILE A 84 11.758 -4.872 8.131 1.00 63.24 H new ATOM 1235 N PRO A 85 13.447 -3.688 12.917 1.00 13.55 N ATOM 1236 CA PRO A 85 14.355 -4.539 13.691 1.00 63.33 C ATOM 1237 C PRO A 85 14.849 -5.738 12.888 1.00 25.23 C ATOM 1238 O PRO A 85 14.078 -6.641 12.564 1.00 63.40 O ATOM 1239 CB PRO A 85 13.492 -5.002 14.867 1.00 24.22 C ATOM 1240 CG PRO A 85 12.092 -4.924 14.364 1.00 4.00 C ATOM 1241 CD PRO A 85 12.060 -3.764 13.408 1.00 43.12 C ATOM 0 HA PRO A 85 15.257 -4.006 13.991 1.00 63.33 H new ATOM 0 HB2 PRO A 85 13.748 -6.017 15.170 1.00 24.22 H new ATOM 0 HB3 PRO A 85 13.636 -4.364 15.739 1.00 24.22 H new ATOM 0 HG2 PRO A 85 11.805 -5.849 13.865 1.00 4.00 H new ATOM 0 HG3 PRO A 85 11.390 -4.773 15.184 1.00 4.00 H new ATOM 0 HD2 PRO A 85 11.354 -3.933 12.595 1.00 43.12 H new ATOM 0 HD3 PRO A 85 11.759 -2.842 13.905 1.00 43.12 H new ATOM 1249 N VAL A 86 16.140 -5.741 12.571 1.00 4.31 N ATOM 1250 CA VAL A 86 16.738 -6.830 11.808 1.00 51.22 C ATOM 1251 C VAL A 86 17.934 -7.425 12.543 1.00 54.21 C ATOM 1252 O VAL A 86 18.885 -6.719 12.877 1.00 41.53 O ATOM 1253 CB VAL A 86 17.190 -6.356 10.414 1.00 61.03 C ATOM 1254 CG1 VAL A 86 17.642 -7.537 9.569 1.00 73.34 C ATOM 1255 CG2 VAL A 86 16.071 -5.592 9.722 1.00 21.12 C ATOM 0 H VAL A 86 16.792 -5.001 12.831 1.00 4.31 H new ATOM 0 HA VAL A 86 15.970 -7.595 11.693 1.00 51.22 H new ATOM 0 HB VAL A 86 18.038 -5.682 10.536 1.00 61.03 H new ATOM 0 HG11 VAL A 86 17.958 -7.183 8.588 1.00 73.34 H new ATOM 0 HG12 VAL A 86 18.477 -8.037 10.060 1.00 73.34 H new ATOM 0 HG13 VAL A 86 16.816 -8.239 9.453 1.00 73.34 H new ATOM 0 HG21 VAL A 86 16.408 -5.265 8.738 1.00 21.12 H new ATOM 0 HG22 VAL A 86 15.202 -6.241 9.611 1.00 21.12 H new ATOM 0 HG23 VAL A 86 15.800 -4.722 10.321 1.00 21.12 H new ATOM 1265 N VAL A 87 17.879 -8.729 12.792 1.00 33.33 N ATOM 1266 CA VAL A 87 18.958 -9.421 13.487 1.00 41.11 C ATOM 1267 C VAL A 87 20.012 -9.921 12.505 1.00 10.42 C ATOM 1268 O VAL A 87 19.703 -10.657 11.568 1.00 25.42 O ATOM 1269 CB VAL A 87 18.426 -10.614 14.304 1.00 45.34 C ATOM 1270 CG1 VAL A 87 19.572 -11.351 14.980 1.00 2.11 C ATOM 1271 CG2 VAL A 87 17.405 -10.144 15.328 1.00 32.32 C ATOM 0 H VAL A 87 17.099 -9.328 12.523 1.00 33.33 H new ATOM 0 HA VAL A 87 19.411 -8.699 14.166 1.00 41.11 H new ATOM 0 HB VAL A 87 17.931 -11.307 13.624 1.00 45.34 H new ATOM 0 HG11 VAL A 87 19.177 -12.190 15.553 1.00 2.11 H new ATOM 0 HG12 VAL A 87 20.263 -11.721 14.223 1.00 2.11 H new ATOM 0 HG13 VAL A 87 20.098 -10.670 15.650 1.00 2.11 H new ATOM 0 HG21 VAL A 87 17.039 -10.999 15.896 1.00 32.32 H new ATOM 0 HG22 VAL A 87 17.872 -9.430 16.007 1.00 32.32 H new ATOM 0 HG23 VAL A 87 16.570 -9.665 14.816 1.00 32.32 H new ATOM 1281 N PHE A 88 21.258 -9.515 12.726 1.00 21.33 N ATOM 1282 CA PHE A 88 22.359 -9.921 11.861 1.00 61.54 C ATOM 1283 C PHE A 88 23.340 -10.816 12.612 1.00 23.23 C ATOM 1284 O PHE A 88 23.487 -10.709 13.830 1.00 61.43 O ATOM 1285 CB PHE A 88 23.088 -8.691 11.316 1.00 72.45 C ATOM 1286 CG PHE A 88 24.571 -8.721 11.548 1.00 23.34 C ATOM 1287 CD1 PHE A 88 25.420 -9.304 10.621 1.00 51.44 C ATOM 1288 CD2 PHE A 88 25.117 -8.167 12.695 1.00 44.23 C ATOM 1289 CE1 PHE A 88 26.785 -9.333 10.833 1.00 62.21 C ATOM 1290 CE2 PHE A 88 26.482 -8.193 12.912 1.00 21.03 C ATOM 1291 CZ PHE A 88 27.317 -8.776 11.979 1.00 21.15 C ATOM 0 H PHE A 88 21.530 -8.905 13.497 1.00 21.33 H new ATOM 0 HA PHE A 88 21.943 -10.487 11.028 1.00 61.54 H new ATOM 0 HB2 PHE A 88 22.897 -8.610 10.246 1.00 72.45 H new ATOM 0 HB3 PHE A 88 22.674 -7.797 11.782 1.00 72.45 H new ATOM 0 HD1 PHE A 88 25.010 -9.741 9.722 1.00 51.44 H new ATOM 0 HD2 PHE A 88 24.469 -7.710 13.428 1.00 44.23 H new ATOM 0 HE1 PHE A 88 27.436 -9.791 10.103 1.00 62.21 H new ATOM 0 HE2 PHE A 88 26.895 -7.758 13.810 1.00 21.03 H new ATOM 0 HZ PHE A 88 28.384 -8.796 12.145 1.00 21.15 H new ATOM 1301 N SER A 89 24.009 -11.699 11.877 1.00 4.13 N ATOM 1302 CA SER A 89 24.974 -12.616 12.474 1.00 54.11 C ATOM 1303 C SER A 89 26.265 -12.649 11.663 1.00 45.20 C ATOM 1304 O SER A 89 26.250 -12.487 10.443 1.00 75.14 O ATOM 1305 CB SER A 89 24.381 -14.023 12.567 1.00 34.13 C ATOM 1306 OG SER A 89 23.898 -14.288 13.873 1.00 3.42 O ATOM 0 H SER A 89 23.901 -11.799 10.868 1.00 4.13 H new ATOM 0 HA SER A 89 25.205 -12.259 13.478 1.00 54.11 H new ATOM 0 HB2 SER A 89 23.569 -14.127 11.848 1.00 34.13 H new ATOM 0 HB3 SER A 89 25.139 -14.759 12.300 1.00 34.13 H new ATOM 0 HG SER A 89 24.473 -13.845 14.531 1.00 3.42 H new ATOM 1312 N ARG A 90 27.383 -12.859 12.351 1.00 61.44 N ATOM 1313 CA ARG A 90 28.685 -12.913 11.696 1.00 55.42 C ATOM 1314 C ARG A 90 29.419 -14.202 12.050 1.00 22.21 C ATOM 1315 O ARG A 90 30.359 -14.194 12.845 1.00 22.50 O ATOM 1316 CB ARG A 90 29.531 -11.704 12.098 1.00 43.41 C ATOM 1317 CG ARG A 90 30.768 -11.512 11.235 1.00 21.34 C ATOM 1318 CD ARG A 90 31.257 -10.073 11.274 1.00 53.23 C ATOM 1319 NE ARG A 90 32.675 -9.967 10.941 1.00 31.15 N ATOM 1320 CZ ARG A 90 33.369 -8.838 11.033 1.00 21.33 C ATOM 1321 NH1 ARG A 90 32.779 -7.725 11.445 1.00 10.14 N ATOM 1322 NH2 ARG A 90 34.657 -8.822 10.713 1.00 53.10 N ATOM 0 H ARG A 90 27.413 -12.994 13.362 1.00 61.44 H new ATOM 0 HA ARG A 90 28.523 -12.893 10.618 1.00 55.42 H new ATOM 0 HB2 ARG A 90 28.916 -10.806 12.041 1.00 43.41 H new ATOM 0 HB3 ARG A 90 29.838 -11.815 13.138 1.00 43.41 H new ATOM 0 HG2 ARG A 90 31.560 -12.176 11.580 1.00 21.34 H new ATOM 0 HG3 ARG A 90 30.542 -11.793 10.206 1.00 21.34 H new ATOM 0 HD2 ARG A 90 30.675 -9.473 10.574 1.00 53.23 H new ATOM 0 HD3 ARG A 90 31.086 -9.659 12.268 1.00 53.23 H new ATOM 0 HE ARG A 90 33.159 -10.806 10.620 1.00 31.15 H new ATOM 0 HH11 ARG A 90 31.790 -7.734 11.692 1.00 10.14 H new ATOM 0 HH12 ARG A 90 33.314 -6.860 11.515 1.00 10.14 H new ATOM 0 HH21 ARG A 90 35.114 -9.677 10.396 1.00 53.10 H new ATOM 0 HH22 ARG A 90 35.189 -7.955 10.784 1.00 53.10 H new ATOM 1336 N ASP A 91 28.984 -15.307 11.456 1.00 74.45 N ATOM 1337 CA ASP A 91 29.600 -16.605 11.708 1.00 52.24 C ATOM 1338 C ASP A 91 29.389 -17.034 13.156 1.00 34.51 C ATOM 1339 O ASP A 91 30.326 -17.454 13.833 1.00 63.43 O ATOM 1340 CB ASP A 91 31.095 -16.553 11.391 1.00 62.32 C ATOM 1341 CG ASP A 91 31.409 -15.636 10.225 1.00 32.11 C ATOM 1342 OD1 ASP A 91 30.823 -15.835 9.140 1.00 3.33 O ATOM 1343 OD2 ASP A 91 32.240 -14.720 10.397 1.00 23.24 O ATOM 0 H ASP A 91 28.207 -15.331 10.796 1.00 74.45 H new ATOM 0 HA ASP A 91 29.124 -17.339 11.058 1.00 52.24 H new ATOM 0 HB2 ASP A 91 31.639 -16.214 12.273 1.00 62.32 H new ATOM 0 HB3 ASP A 91 31.450 -17.558 11.165 1.00 62.32 H new ATOM 1348 N GLY A 92 28.150 -16.925 13.626 1.00 34.01 N ATOM 1349 CA GLY A 92 27.838 -17.305 14.992 1.00 50.24 C ATOM 1350 C GLY A 92 27.729 -16.108 15.916 1.00 75.14 C ATOM 1351 O GLY A 92 27.239 -16.225 17.039 1.00 10.31 O ATOM 0 H GLY A 92 27.357 -16.580 13.085 1.00 34.01 H new ATOM 0 HA2 GLY A 92 26.899 -17.858 15.007 1.00 50.24 H new ATOM 0 HA3 GLY A 92 28.610 -17.978 15.364 1.00 50.24 H new ATOM 1355 N VAL A 93 28.187 -14.953 15.443 1.00 62.52 N ATOM 1356 CA VAL A 93 28.139 -13.730 16.235 1.00 62.14 C ATOM 1357 C VAL A 93 26.712 -13.205 16.349 1.00 25.21 C ATOM 1358 O VAL A 93 25.936 -13.274 15.396 1.00 11.43 O ATOM 1359 CB VAL A 93 29.031 -12.632 15.626 1.00 62.04 C ATOM 1360 CG1 VAL A 93 28.938 -11.353 16.444 1.00 60.21 C ATOM 1361 CG2 VAL A 93 30.472 -13.109 15.529 1.00 24.43 C ATOM 0 H VAL A 93 28.595 -14.839 14.515 1.00 62.52 H new ATOM 0 HA VAL A 93 28.511 -13.981 17.228 1.00 62.14 H new ATOM 0 HB VAL A 93 28.675 -12.417 14.618 1.00 62.04 H new ATOM 0 HG11 VAL A 93 29.575 -10.589 15.998 1.00 60.21 H new ATOM 0 HG12 VAL A 93 27.906 -11.003 16.456 1.00 60.21 H new ATOM 0 HG13 VAL A 93 29.267 -11.549 17.465 1.00 60.21 H new ATOM 0 HG21 VAL A 93 31.088 -12.321 15.097 1.00 24.43 H new ATOM 0 HG22 VAL A 93 30.842 -13.354 16.525 1.00 24.43 H new ATOM 0 HG23 VAL A 93 30.520 -13.995 14.896 1.00 24.43 H new ATOM 1371 N VAL A 94 26.373 -12.680 17.522 1.00 22.12 N ATOM 1372 CA VAL A 94 25.040 -12.141 17.762 1.00 72.33 C ATOM 1373 C VAL A 94 25.086 -10.632 17.972 1.00 64.01 C ATOM 1374 O VAL A 94 25.638 -10.150 18.961 1.00 41.34 O ATOM 1375 CB VAL A 94 24.381 -12.799 18.988 1.00 34.35 C ATOM 1376 CG1 VAL A 94 23.056 -12.124 19.309 1.00 32.23 C ATOM 1377 CG2 VAL A 94 24.186 -14.289 18.753 1.00 72.41 C ATOM 0 H VAL A 94 27.004 -12.617 18.321 1.00 22.12 H new ATOM 0 HA VAL A 94 24.445 -12.363 16.876 1.00 72.33 H new ATOM 0 HB VAL A 94 25.043 -12.673 19.845 1.00 34.35 H new ATOM 0 HG11 VAL A 94 22.605 -12.603 20.178 1.00 32.23 H new ATOM 0 HG12 VAL A 94 23.228 -11.069 19.524 1.00 32.23 H new ATOM 0 HG13 VAL A 94 22.385 -12.216 18.455 1.00 32.23 H new ATOM 0 HG21 VAL A 94 23.719 -14.738 19.630 1.00 72.41 H new ATOM 0 HG22 VAL A 94 23.546 -14.440 17.884 1.00 72.41 H new ATOM 0 HG23 VAL A 94 25.153 -14.759 18.577 1.00 72.41 H new ATOM 1387 N MET A 95 24.503 -9.891 17.035 1.00 21.42 N ATOM 1388 CA MET A 95 24.477 -8.436 17.119 1.00 53.31 C ATOM 1389 C MET A 95 23.159 -7.884 16.584 1.00 60.23 C ATOM 1390 O MET A 95 22.489 -8.527 15.775 1.00 44.41 O ATOM 1391 CB MET A 95 25.648 -7.837 16.338 1.00 23.30 C ATOM 1392 CG MET A 95 25.913 -6.376 16.664 1.00 74.23 C ATOM 1393 SD MET A 95 26.471 -6.133 18.361 1.00 41.02 S ATOM 1394 CE MET A 95 28.246 -6.249 18.153 1.00 44.01 C ATOM 0 H MET A 95 24.043 -10.274 16.209 1.00 21.42 H new ATOM 0 HA MET A 95 24.569 -8.156 18.169 1.00 53.31 H new ATOM 0 HB2 MET A 95 26.547 -8.416 16.547 1.00 23.30 H new ATOM 0 HB3 MET A 95 25.449 -7.932 15.271 1.00 23.30 H new ATOM 0 HG2 MET A 95 26.666 -5.986 15.979 1.00 74.23 H new ATOM 0 HG3 MET A 95 25.002 -5.800 16.499 1.00 74.23 H new ATOM 0 HE1 MET A 95 28.735 -6.119 19.119 1.00 44.01 H new ATOM 0 HE2 MET A 95 28.501 -7.227 17.746 1.00 44.01 H new ATOM 0 HE3 MET A 95 28.584 -5.472 17.468 1.00 44.01 H new ATOM 1404 N SER A 96 22.793 -6.691 17.041 1.00 51.15 N ATOM 1405 CA SER A 96 21.553 -6.055 16.610 1.00 21.25 C ATOM 1406 C SER A 96 21.841 -4.858 15.710 1.00 55.14 C ATOM 1407 O SER A 96 22.663 -4.004 16.038 1.00 44.32 O ATOM 1408 CB SER A 96 20.736 -5.610 17.825 1.00 53.24 C ATOM 1409 OG SER A 96 21.408 -4.593 18.547 1.00 43.00 O ATOM 0 H SER A 96 23.337 -6.145 17.709 1.00 51.15 H new ATOM 0 HA SER A 96 20.977 -6.785 16.041 1.00 21.25 H new ATOM 0 HB2 SER A 96 19.762 -5.245 17.498 1.00 53.24 H new ATOM 0 HB3 SER A 96 20.554 -6.464 18.477 1.00 53.24 H new ATOM 0 HG SER A 96 22.057 -4.150 17.961 1.00 43.00 H new ATOM 1415 N ALA A 97 21.156 -4.804 14.572 1.00 53.51 N ATOM 1416 CA ALA A 97 21.335 -3.711 13.624 1.00 40.01 C ATOM 1417 C ALA A 97 20.004 -3.298 13.004 1.00 64.21 C ATOM 1418 O ALA A 97 19.168 -4.143 12.682 1.00 64.13 O ATOM 1419 CB ALA A 97 22.324 -4.111 12.539 1.00 53.23 C ATOM 0 H ALA A 97 20.472 -5.504 14.284 1.00 53.51 H new ATOM 0 HA ALA A 97 21.734 -2.854 14.166 1.00 40.01 H new ATOM 0 HB1 ALA A 97 22.448 -3.286 11.838 1.00 53.23 H new ATOM 0 HB2 ALA A 97 23.286 -4.349 12.993 1.00 53.23 H new ATOM 0 HB3 ALA A 97 21.947 -4.985 12.008 1.00 53.23 H new ATOM 1425 N THR A 98 19.813 -1.993 12.839 1.00 11.15 N ATOM 1426 CA THR A 98 18.583 -1.468 12.260 1.00 40.11 C ATOM 1427 C THR A 98 18.769 -1.135 10.784 1.00 1.10 C ATOM 1428 O THR A 98 19.705 -0.427 10.411 1.00 10.32 O ATOM 1429 CB THR A 98 18.106 -0.206 13.003 1.00 11.20 C ATOM 1430 OG1 THR A 98 18.468 -0.285 14.386 1.00 20.41 O ATOM 1431 CG2 THR A 98 16.599 -0.041 12.877 1.00 51.22 C ATOM 0 H THR A 98 20.495 -1.280 13.098 1.00 11.15 H new ATOM 0 HA THR A 98 17.828 -2.247 12.362 1.00 40.11 H new ATOM 0 HB THR A 98 18.590 0.660 12.550 1.00 11.20 H new ATOM 0 HG1 THR A 98 18.163 0.522 14.851 1.00 20.41 H new ATOM 0 HG21 THR A 98 16.285 0.857 13.410 1.00 51.22 H new ATOM 0 HG22 THR A 98 16.330 0.049 11.825 1.00 51.22 H new ATOM 0 HG23 THR A 98 16.101 -0.910 13.306 1.00 51.22 H new ATOM 1439 N ILE A 99 17.873 -1.649 9.949 1.00 53.12 N ATOM 1440 CA ILE A 99 17.938 -1.404 8.513 1.00 1.24 C ATOM 1441 C ILE A 99 17.022 -0.254 8.110 1.00 52.32 C ATOM 1442 O ILE A 99 15.798 -0.369 8.174 1.00 13.23 O ATOM 1443 CB ILE A 99 17.552 -2.660 7.710 1.00 53.53 C ATOM 1444 CG1 ILE A 99 18.479 -3.824 8.064 1.00 43.33 C ATOM 1445 CG2 ILE A 99 17.603 -2.369 6.217 1.00 34.51 C ATOM 1446 CD1 ILE A 99 18.151 -5.103 7.327 1.00 62.33 C ATOM 0 H ILE A 99 17.093 -2.238 10.242 1.00 53.12 H new ATOM 0 HA ILE A 99 18.970 -1.140 8.284 1.00 1.24 H new ATOM 0 HB ILE A 99 16.532 -2.942 7.971 1.00 53.53 H new ATOM 0 HG12 ILE A 99 19.507 -3.539 7.841 1.00 43.33 H new ATOM 0 HG13 ILE A 99 18.424 -4.008 9.137 1.00 43.33 H new ATOM 0 HG21 ILE A 99 17.328 -3.266 5.662 1.00 34.51 H new ATOM 0 HG22 ILE A 99 16.905 -1.566 5.979 1.00 34.51 H new ATOM 0 HG23 ILE A 99 18.613 -2.066 5.940 1.00 34.51 H new ATOM 0 HD11 ILE A 99 18.848 -5.885 7.627 1.00 62.33 H new ATOM 0 HD12 ILE A 99 17.134 -5.412 7.569 1.00 62.33 H new ATOM 0 HD13 ILE A 99 18.234 -4.936 6.253 1.00 62.33 H new ATOM 1458 N VAL A 100 17.623 0.856 7.691 1.00 33.34 N ATOM 1459 CA VAL A 100 16.861 2.027 7.274 1.00 61.21 C ATOM 1460 C VAL A 100 16.697 2.064 5.759 1.00 73.23 C ATOM 1461 O VAL A 100 17.549 2.591 5.044 1.00 71.15 O ATOM 1462 CB VAL A 100 17.537 3.331 7.738 1.00 62.31 C ATOM 1463 CG1 VAL A 100 17.343 3.530 9.233 1.00 10.23 C ATOM 1464 CG2 VAL A 100 19.016 3.320 7.381 1.00 72.03 C ATOM 0 H VAL A 100 18.635 0.968 7.632 1.00 33.34 H new ATOM 0 HA VAL A 100 15.879 1.949 7.741 1.00 61.21 H new ATOM 0 HB VAL A 100 17.068 4.168 7.220 1.00 62.31 H new ATOM 0 HG11 VAL A 100 17.827 4.456 9.543 1.00 10.23 H new ATOM 0 HG12 VAL A 100 16.278 3.585 9.458 1.00 10.23 H new ATOM 0 HG13 VAL A 100 17.785 2.692 9.772 1.00 10.23 H new ATOM 0 HG21 VAL A 100 19.478 4.249 7.716 1.00 72.03 H new ATOM 0 HG22 VAL A 100 19.502 2.476 7.870 1.00 72.03 H new ATOM 0 HG23 VAL A 100 19.129 3.228 6.301 1.00 72.03 H new ATOM 1474 N VAL A 101 15.594 1.501 5.275 1.00 61.34 N ATOM 1475 CA VAL A 101 15.316 1.470 3.844 1.00 41.43 C ATOM 1476 C VAL A 101 14.475 2.670 3.422 1.00 74.41 C ATOM 1477 O VAL A 101 13.313 2.793 3.808 1.00 1.01 O ATOM 1478 CB VAL A 101 14.584 0.176 3.442 1.00 51.45 C ATOM 1479 CG1 VAL A 101 14.271 0.180 1.953 1.00 51.40 C ATOM 1480 CG2 VAL A 101 15.412 -1.043 3.817 1.00 3.22 C ATOM 0 H VAL A 101 14.879 1.060 5.853 1.00 61.34 H new ATOM 0 HA VAL A 101 16.278 1.507 3.333 1.00 41.43 H new ATOM 0 HB VAL A 101 13.641 0.128 3.987 1.00 51.45 H new ATOM 0 HG11 VAL A 101 13.754 -0.742 1.687 1.00 51.40 H new ATOM 0 HG12 VAL A 101 13.635 1.033 1.717 1.00 51.40 H new ATOM 0 HG13 VAL A 101 15.199 0.251 1.386 1.00 51.40 H new ATOM 0 HG21 VAL A 101 14.879 -1.948 3.526 1.00 3.22 H new ATOM 0 HG22 VAL A 101 16.371 -1.004 3.301 1.00 3.22 H new ATOM 0 HG23 VAL A 101 15.580 -1.052 4.894 1.00 3.22 H new ATOM 1490 N GLY A 102 15.070 3.553 2.625 1.00 34.52 N ATOM 1491 CA GLY A 102 14.360 4.731 2.163 1.00 10.12 C ATOM 1492 C GLY A 102 14.143 4.726 0.663 1.00 13.00 C ATOM 1493 O GLY A 102 15.096 4.822 -0.108 1.00 45.14 O ATOM 0 H GLY A 102 16.031 3.473 2.291 1.00 34.52 H new ATOM 0 HA2 GLY A 102 13.395 4.791 2.666 1.00 10.12 H new ATOM 0 HA3 GLY A 102 14.921 5.623 2.443 1.00 10.12 H new ATOM 1497 N GLU A 103 12.885 4.612 0.249 1.00 15.01 N ATOM 1498 CA GLU A 103 12.547 4.592 -1.169 1.00 55.22 C ATOM 1499 C GLU A 103 11.710 5.812 -1.546 1.00 63.33 C ATOM 1500 O GLU A 103 12.111 6.618 -2.387 1.00 60.42 O ATOM 1501 CB GLU A 103 11.786 3.311 -1.517 1.00 54.00 C ATOM 1502 CG GLU A 103 12.536 2.040 -1.155 1.00 14.35 C ATOM 1503 CD GLU A 103 14.036 2.179 -1.327 1.00 32.12 C ATOM 1504 OE1 GLU A 103 14.467 2.669 -2.392 1.00 22.33 O ATOM 1505 OE2 GLU A 103 14.778 1.798 -0.398 1.00 20.11 O ATOM 0 H GLU A 103 12.084 4.532 0.875 1.00 15.01 H new ATOM 0 HA GLU A 103 13.476 4.620 -1.738 1.00 55.22 H new ATOM 0 HB2 GLU A 103 10.827 3.317 -1.000 1.00 54.00 H new ATOM 0 HB3 GLU A 103 11.572 3.305 -2.586 1.00 54.00 H new ATOM 0 HG2 GLU A 103 12.316 1.775 -0.121 1.00 14.35 H new ATOM 0 HG3 GLU A 103 12.177 1.221 -1.778 1.00 14.35 H new ATOM 1512 N LEU A 104 10.546 5.940 -0.919 1.00 43.22 N ATOM 1513 CA LEU A 104 9.652 7.061 -1.188 1.00 71.23 C ATOM 1514 C LEU A 104 10.391 8.389 -1.064 1.00 51.42 C ATOM 1515 O LEU A 104 10.776 8.796 0.032 1.00 71.24 O ATOM 1516 CB LEU A 104 8.464 7.033 -0.225 1.00 53.22 C ATOM 1517 CG LEU A 104 7.299 6.125 -0.622 1.00 23.23 C ATOM 1518 CD1 LEU A 104 6.676 6.595 -1.927 1.00 64.41 C ATOM 1519 CD2 LEU A 104 7.766 4.681 -0.740 1.00 55.12 C ATOM 0 H LEU A 104 10.199 5.282 -0.221 1.00 43.22 H new ATOM 0 HA LEU A 104 9.286 6.965 -2.210 1.00 71.23 H new ATOM 0 HB2 LEU A 104 8.824 6.721 0.755 1.00 53.22 H new ATOM 0 HB3 LEU A 104 8.086 8.049 -0.117 1.00 53.22 H new ATOM 0 HG LEU A 104 6.539 6.178 0.158 1.00 23.23 H new ATOM 0 HD11 LEU A 104 5.849 5.937 -2.193 1.00 64.41 H new ATOM 0 HD12 LEU A 104 6.305 7.613 -1.807 1.00 64.41 H new ATOM 0 HD13 LEU A 104 7.426 6.573 -2.717 1.00 64.41 H new ATOM 0 HD21 LEU A 104 6.925 4.048 -1.023 1.00 55.12 H new ATOM 0 HD22 LEU A 104 8.544 4.611 -1.500 1.00 55.12 H new ATOM 0 HD23 LEU A 104 8.164 4.348 0.219 1.00 55.12 H new ATOM 1531 N GLU A 105 10.583 9.062 -2.195 1.00 21.32 N ATOM 1532 CA GLU A 105 11.275 10.345 -2.211 1.00 53.33 C ATOM 1533 C GLU A 105 10.287 11.493 -2.403 1.00 63.14 C ATOM 1534 O GLU A 105 10.118 12.333 -1.520 1.00 71.14 O ATOM 1535 CB GLU A 105 12.325 10.370 -3.324 1.00 73.20 C ATOM 1536 CG GLU A 105 13.302 11.528 -3.214 1.00 15.43 C ATOM 1537 CD GLU A 105 14.285 11.574 -4.367 1.00 22.11 C ATOM 1538 OE1 GLU A 105 14.219 10.683 -5.240 1.00 12.44 O ATOM 1539 OE2 GLU A 105 15.121 12.501 -4.396 1.00 45.12 O ATOM 0 H GLU A 105 10.269 8.740 -3.111 1.00 21.32 H new ATOM 0 HA GLU A 105 11.772 10.473 -1.250 1.00 53.33 H new ATOM 0 HB2 GLU A 105 12.882 9.433 -3.307 1.00 73.20 H new ATOM 0 HB3 GLU A 105 11.819 10.423 -4.288 1.00 73.20 H new ATOM 0 HG2 GLU A 105 12.746 12.465 -3.178 1.00 15.43 H new ATOM 0 HG3 GLU A 105 13.851 11.447 -2.276 1.00 15.43 H new TER 1546 GLU A 105