USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 760 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 93 ASN : amide:sc= 0.385 K(o=0.39,f=-9.7!) USER MOD Set 1.2: A 95 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 85 GLN :FLIP amide:sc= -1.28 F(o=-2.7!,f=-1.3) USER MOD Set 2.2: A 87 HIS :FLIP no HD1:sc= -0.0145 F(o=-1.8,f=-1.3) USER MOD Single : A 3 HIS : no HD1:sc= -0.374 X(o=-0.37,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN :FLIP amide:sc= -2.07! C(o=-3!,f=-2.1!) USER MOD Single : A 23 SER OG : rot 180:sc= 0.025 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 120:sc= 1.15 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 36 LYS NZ :NH3+ 168:sc= 1.23 (180deg=1.14) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0957 USER MOD Single : A 43 SER OG : rot -103:sc= -0.326 USER MOD Single : A 44 THR OG1 : rot -14:sc= 0.983 USER MOD Single : A 47 LYS NZ :NH3+ -171:sc= 1.09 (180deg=0.871) USER MOD Single : A 49 GLN :FLIP amide:sc= -2.9! C(o=-3.6!,f=-2.9!) USER MOD Single : A 51 THR OG1 : rot -60:sc= -0.265 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 140:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 152:sc= -0.0591 (180deg=-1.9) USER MOD Single : A 65 LYS NZ :NH3+ -160:sc= -0.154 (180deg=-0.658) USER MOD Single : A 88 MET CE :methyl -140:sc= -1.43 (180deg=-3.22) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.29 X(o=-0.29,f=0) USER MOD Single : A 97 MET CE :methyl -158:sc= -1.19 (180deg=-3.68) USER MOD Single : A 99 ASN :FLIP amide:sc= -0.807 F(o=-2.7!,f=-0.81) USER MOD Single : A 101 LYS NZ :NH3+ 172:sc= 1.25 (180deg=1.18) USER MOD Single : A 102 MET CE :methyl 154:sc= -0.166 (180deg=-0.866) USER MOD Single : A 103 THR OG1 : rot 92:sc= 1.25 USER MOD Single : A 105 GLN : amide:sc= -1.11 K(o=-1.1,f=-1.6) USER MOD Single : A 106 GLN : amide:sc= 0.281 X(o=0.28,f=-0.06) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 14.462 -3.162 2.619 1.00 0.35 N ATOM 29 CA HIS A 3 14.013 -1.802 2.328 1.00 0.24 C ATOM 30 C HIS A 3 13.857 -1.630 0.824 1.00 0.16 C ATOM 31 O HIS A 3 13.746 -0.519 0.310 1.00 0.19 O ATOM 32 CB HIS A 3 15.020 -0.770 2.852 1.00 0.32 C ATOM 33 CG HIS A 3 15.260 -0.825 4.331 1.00 0.71 C ATOM 34 ND1 HIS A 3 16.200 -1.647 4.915 1.00 1.12 N ATOM 35 CD2 HIS A 3 14.690 -0.133 5.343 1.00 1.43 C ATOM 36 CE1 HIS A 3 16.194 -1.460 6.221 1.00 1.64 C ATOM 37 NE2 HIS A 3 15.287 -0.546 6.507 1.00 1.85 N ATOM 0 HA HIS A 3 13.056 -1.641 2.825 1.00 0.24 H new ATOM 0 HB2 HIS A 3 15.970 -0.916 2.338 1.00 0.32 H new ATOM 0 HB3 HIS A 3 14.666 0.228 2.592 1.00 0.32 H new ATOM 0 HD2 HIS A 3 13.909 0.608 5.252 1.00 1.43 H new ATOM 0 HE1 HIS A 3 16.825 -1.969 6.935 1.00 1.64 H new ATOM 0 HE2 HIS A 3 15.066 -0.202 7.441 1.00 1.85 H new ATOM 46 N SER A 4 13.854 -2.751 0.138 1.00 0.14 N ATOM 47 CA SER A 4 13.790 -2.790 -1.312 1.00 0.13 C ATOM 48 C SER A 4 13.381 -4.198 -1.745 1.00 0.15 C ATOM 49 O SER A 4 13.598 -5.159 -1.006 1.00 0.24 O ATOM 50 CB SER A 4 15.145 -2.412 -1.916 1.00 0.17 C ATOM 51 OG SER A 4 16.151 -3.340 -1.542 1.00 0.95 O ATOM 0 H SER A 4 13.896 -3.673 0.573 1.00 0.14 H new ATOM 0 HA SER A 4 13.054 -2.070 -1.669 1.00 0.13 H new ATOM 0 HB2 SER A 4 15.065 -2.377 -3.002 1.00 0.17 H new ATOM 0 HB3 SER A 4 15.427 -1.413 -1.585 1.00 0.17 H new ATOM 0 HG SER A 4 17.005 -3.076 -1.943 1.00 0.95 H new ATOM 57 N GLY A 5 12.778 -4.316 -2.915 1.00 0.14 N ATOM 58 CA GLY A 5 12.348 -5.610 -3.407 1.00 0.15 C ATOM 59 C GLY A 5 11.575 -5.474 -4.697 1.00 0.15 C ATOM 60 O GLY A 5 10.865 -4.493 -4.887 1.00 0.16 O ATOM 0 H GLY A 5 12.576 -3.534 -3.539 1.00 0.14 H new ATOM 0 HA2 GLY A 5 13.217 -6.249 -3.566 1.00 0.15 H new ATOM 0 HA3 GLY A 5 11.726 -6.099 -2.657 1.00 0.15 H new ATOM 64 N ALA A 6 11.709 -6.442 -5.591 1.00 0.16 N ATOM 65 CA ALA A 6 11.059 -6.354 -6.891 1.00 0.17 C ATOM 66 C ALA A 6 9.552 -6.639 -6.784 1.00 0.21 C ATOM 67 O ALA A 6 9.143 -7.682 -6.263 1.00 0.43 O ATOM 68 CB ALA A 6 11.713 -7.304 -7.883 1.00 0.21 C ATOM 0 H ALA A 6 12.256 -7.290 -5.443 1.00 0.16 H new ATOM 0 HA ALA A 6 11.181 -5.334 -7.255 1.00 0.17 H new ATOM 0 HB1 ALA A 6 11.213 -7.223 -8.848 1.00 0.21 H new ATOM 0 HB2 ALA A 6 12.765 -7.044 -7.997 1.00 0.21 H new ATOM 0 HB3 ALA A 6 11.630 -8.327 -7.516 1.00 0.21 H new ATOM 74 N ALA A 7 8.732 -5.715 -7.281 1.00 0.11 N ATOM 75 CA ALA A 7 7.278 -5.861 -7.225 1.00 0.12 C ATOM 76 C ALA A 7 6.633 -5.507 -8.559 1.00 0.12 C ATOM 77 O ALA A 7 7.205 -4.792 -9.368 1.00 0.13 O ATOM 78 CB ALA A 7 6.689 -4.982 -6.131 1.00 0.12 C ATOM 0 H ALA A 7 9.050 -4.855 -7.728 1.00 0.11 H new ATOM 0 HA ALA A 7 7.067 -6.907 -7.001 1.00 0.12 H new ATOM 0 HB1 ALA A 7 5.606 -5.107 -6.108 1.00 0.12 H new ATOM 0 HB2 ALA A 7 7.108 -5.270 -5.167 1.00 0.12 H new ATOM 0 HB3 ALA A 7 6.930 -3.938 -6.334 1.00 0.12 H new ATOM 84 N ILE A 8 5.432 -6.010 -8.763 1.00 0.15 N ATOM 85 CA ILE A 8 4.655 -5.747 -9.964 1.00 0.19 C ATOM 86 C ILE A 8 3.676 -4.621 -9.696 1.00 0.22 C ATOM 87 O ILE A 8 2.921 -4.663 -8.726 1.00 0.26 O ATOM 88 CB ILE A 8 3.856 -6.999 -10.422 1.00 0.23 C ATOM 89 CG1 ILE A 8 4.765 -8.105 -10.980 1.00 0.26 C ATOM 90 CG2 ILE A 8 2.816 -6.610 -11.458 1.00 0.29 C ATOM 91 CD1 ILE A 8 5.689 -8.735 -9.964 1.00 0.25 C ATOM 0 H ILE A 8 4.961 -6.619 -8.095 1.00 0.15 H new ATOM 0 HA ILE A 8 5.354 -5.475 -10.755 1.00 0.19 H new ATOM 0 HB ILE A 8 3.361 -7.401 -9.538 1.00 0.23 H new ATOM 0 HG12 ILE A 8 4.140 -8.885 -11.415 1.00 0.26 H new ATOM 0 HG13 ILE A 8 5.366 -7.689 -11.789 1.00 0.26 H new ATOM 0 HG21 ILE A 8 2.264 -7.497 -11.770 1.00 0.29 H new ATOM 0 HG22 ILE A 8 2.125 -5.886 -11.026 1.00 0.29 H new ATOM 0 HG23 ILE A 8 3.311 -6.168 -12.323 1.00 0.29 H new ATOM 0 HD11 ILE A 8 6.292 -9.504 -10.448 1.00 0.25 H new ATOM 0 HD12 ILE A 8 6.344 -7.971 -9.545 1.00 0.25 H new ATOM 0 HD13 ILE A 8 5.099 -9.185 -9.166 1.00 0.25 H new ATOM 103 N PHE A 9 3.699 -3.620 -10.549 1.00 0.28 N ATOM 104 CA PHE A 9 2.799 -2.498 -10.418 1.00 0.34 C ATOM 105 C PHE A 9 2.257 -2.125 -11.788 1.00 0.46 C ATOM 106 O PHE A 9 3.019 -1.766 -12.680 1.00 0.52 O ATOM 107 CB PHE A 9 3.532 -1.323 -9.764 1.00 0.35 C ATOM 108 CG PHE A 9 2.743 -0.049 -9.656 1.00 0.40 C ATOM 109 CD1 PHE A 9 1.876 0.162 -8.598 1.00 0.40 C ATOM 110 CD2 PHE A 9 2.895 0.951 -10.602 1.00 0.50 C ATOM 111 CE1 PHE A 9 1.176 1.347 -8.487 1.00 0.45 C ATOM 112 CE2 PHE A 9 2.193 2.134 -10.498 1.00 0.56 C ATOM 113 CZ PHE A 9 1.333 2.333 -9.439 1.00 0.52 C ATOM 0 H PHE A 9 4.335 -3.562 -11.344 1.00 0.28 H new ATOM 0 HA PHE A 9 1.957 -2.764 -9.779 1.00 0.34 H new ATOM 0 HB2 PHE A 9 3.844 -1.623 -8.763 1.00 0.35 H new ATOM 0 HB3 PHE A 9 4.439 -1.121 -10.333 1.00 0.35 H new ATOM 0 HD1 PHE A 9 1.746 -0.608 -7.852 1.00 0.40 H new ATOM 0 HD2 PHE A 9 3.571 0.803 -11.431 1.00 0.50 H new ATOM 0 HE1 PHE A 9 0.505 1.502 -7.655 1.00 0.45 H new ATOM 0 HE2 PHE A 9 2.317 2.904 -11.246 1.00 0.56 H new ATOM 0 HZ PHE A 9 0.783 3.259 -9.355 1.00 0.52 H new ATOM 123 N GLU A 10 0.943 -2.249 -11.950 1.00 0.58 N ATOM 124 CA GLU A 10 0.271 -2.026 -13.228 1.00 0.73 C ATOM 125 C GLU A 10 0.679 -3.089 -14.234 1.00 0.64 C ATOM 126 O GLU A 10 0.995 -2.791 -15.387 1.00 0.67 O ATOM 127 CB GLU A 10 0.550 -0.631 -13.785 1.00 0.87 C ATOM 128 CG GLU A 10 0.093 0.479 -12.867 1.00 0.98 C ATOM 129 CD GLU A 10 0.400 1.855 -13.421 1.00 1.21 C ATOM 130 OE1 GLU A 10 1.577 2.119 -13.745 1.00 1.25 O ATOM 131 OE2 GLU A 10 -0.532 2.686 -13.527 1.00 1.46 O ATOM 0 H GLU A 10 0.310 -2.509 -11.194 1.00 0.58 H new ATOM 0 HA GLU A 10 -0.802 -2.098 -13.049 1.00 0.73 H new ATOM 0 HB2 GLU A 10 1.620 -0.526 -13.966 1.00 0.87 H new ATOM 0 HB3 GLU A 10 0.052 -0.525 -14.749 1.00 0.87 H new ATOM 0 HG2 GLU A 10 -0.980 0.389 -12.701 1.00 0.98 H new ATOM 0 HG3 GLU A 10 0.577 0.366 -11.897 1.00 0.98 H new ATOM 138 N LYS A 11 0.700 -4.330 -13.756 1.00 0.58 N ATOM 139 CA LYS A 11 0.896 -5.522 -14.588 1.00 0.55 C ATOM 140 C LYS A 11 2.347 -5.696 -15.038 1.00 0.49 C ATOM 141 O LYS A 11 2.711 -6.735 -15.588 1.00 0.56 O ATOM 142 CB LYS A 11 -0.037 -5.503 -15.799 1.00 0.65 C ATOM 143 CG LYS A 11 -1.473 -5.235 -15.407 1.00 0.74 C ATOM 144 CD LYS A 11 -2.048 -6.337 -14.561 1.00 1.29 C ATOM 145 CE LYS A 11 -3.128 -5.807 -13.648 1.00 1.32 C ATOM 146 NZ LYS A 11 -3.555 -6.823 -12.653 1.00 1.91 N ATOM 0 H LYS A 11 0.580 -4.543 -12.766 1.00 0.58 H new ATOM 0 HA LYS A 11 0.649 -6.379 -13.962 1.00 0.55 H new ATOM 0 HB2 LYS A 11 0.296 -4.738 -16.500 1.00 0.65 H new ATOM 0 HB3 LYS A 11 0.024 -6.459 -16.318 1.00 0.65 H new ATOM 0 HG2 LYS A 11 -1.529 -4.294 -14.860 1.00 0.74 H new ATOM 0 HG3 LYS A 11 -2.077 -5.117 -16.307 1.00 0.74 H new ATOM 0 HD2 LYS A 11 -2.459 -7.117 -15.202 1.00 1.29 H new ATOM 0 HD3 LYS A 11 -1.257 -6.796 -13.968 1.00 1.29 H new ATOM 0 HE2 LYS A 11 -2.763 -4.921 -13.129 1.00 1.32 H new ATOM 0 HE3 LYS A 11 -3.987 -5.497 -14.243 1.00 1.32 H new ATOM 0 HZ1 LYS A 11 -4.297 -6.422 -12.044 1.00 1.91 H new ATOM 0 HZ2 LYS A 11 -3.927 -7.659 -13.148 1.00 1.91 H new ATOM 0 HZ3 LYS A 11 -2.741 -7.100 -12.069 1.00 1.91 H new ATOM 160 N VAL A 12 3.176 -4.694 -14.792 1.00 0.44 N ATOM 161 CA VAL A 12 4.587 -4.777 -15.128 1.00 0.42 C ATOM 162 C VAL A 12 5.411 -5.103 -13.890 1.00 0.35 C ATOM 163 O VAL A 12 5.230 -4.498 -12.832 1.00 0.30 O ATOM 164 CB VAL A 12 5.116 -3.474 -15.790 1.00 0.47 C ATOM 165 CG1 VAL A 12 4.455 -2.244 -15.196 1.00 0.47 C ATOM 166 CG2 VAL A 12 6.627 -3.376 -15.640 1.00 0.46 C ATOM 0 H VAL A 12 2.895 -3.813 -14.361 1.00 0.44 H new ATOM 0 HA VAL A 12 4.693 -5.580 -15.857 1.00 0.42 H new ATOM 0 HB VAL A 12 4.865 -3.516 -16.850 1.00 0.47 H new ATOM 0 HG11 VAL A 12 4.847 -1.350 -15.681 1.00 0.47 H new ATOM 0 HG12 VAL A 12 3.378 -2.299 -15.352 1.00 0.47 H new ATOM 0 HG13 VAL A 12 4.665 -2.199 -14.127 1.00 0.47 H new ATOM 0 HG21 VAL A 12 6.980 -2.458 -16.109 1.00 0.46 H new ATOM 0 HG22 VAL A 12 6.888 -3.366 -14.582 1.00 0.46 H new ATOM 0 HG23 VAL A 12 7.097 -4.234 -16.122 1.00 0.46 H new ATOM 176 N SER A 13 6.298 -6.077 -14.023 1.00 0.35 N ATOM 177 CA SER A 13 7.189 -6.441 -12.941 1.00 0.30 C ATOM 178 C SER A 13 8.330 -5.440 -12.848 1.00 0.28 C ATOM 179 O SER A 13 9.054 -5.205 -13.819 1.00 0.40 O ATOM 180 CB SER A 13 7.731 -7.859 -13.136 1.00 0.34 C ATOM 181 OG SER A 13 8.459 -8.287 -11.996 1.00 1.02 O ATOM 0 H SER A 13 6.417 -6.628 -14.873 1.00 0.35 H new ATOM 0 HA SER A 13 6.627 -6.422 -12.007 1.00 0.30 H new ATOM 0 HB2 SER A 13 6.905 -8.545 -13.323 1.00 0.34 H new ATOM 0 HB3 SER A 13 8.375 -7.888 -14.015 1.00 0.34 H new ATOM 0 HG SER A 13 8.794 -9.196 -12.144 1.00 1.02 H new ATOM 187 N GLY A 14 8.468 -4.842 -11.681 1.00 0.16 N ATOM 188 CA GLY A 14 9.482 -3.850 -11.464 1.00 0.14 C ATOM 189 C GLY A 14 10.138 -3.997 -10.116 1.00 0.12 C ATOM 190 O GLY A 14 10.161 -5.086 -9.553 1.00 0.14 O ATOM 0 H GLY A 14 7.882 -5.033 -10.868 1.00 0.16 H new ATOM 0 HA2 GLY A 14 10.238 -3.928 -12.245 1.00 0.14 H new ATOM 0 HA3 GLY A 14 9.040 -2.857 -11.546 1.00 0.14 H new ATOM 194 N ILE A 15 10.675 -2.908 -9.602 1.00 0.11 N ATOM 195 CA ILE A 15 11.382 -2.920 -8.339 1.00 0.12 C ATOM 196 C ILE A 15 10.826 -1.868 -7.402 1.00 0.10 C ATOM 197 O ILE A 15 10.269 -0.877 -7.834 1.00 0.08 O ATOM 198 CB ILE A 15 12.888 -2.675 -8.522 1.00 0.15 C ATOM 199 CG1 ILE A 15 13.427 -3.452 -9.719 1.00 0.17 C ATOM 200 CG2 ILE A 15 13.655 -3.059 -7.270 1.00 0.17 C ATOM 201 CD1 ILE A 15 13.446 -4.951 -9.564 1.00 0.19 C ATOM 0 H ILE A 15 10.633 -1.992 -10.048 1.00 0.11 H new ATOM 0 HA ILE A 15 11.239 -3.912 -7.910 1.00 0.12 H new ATOM 0 HB ILE A 15 13.028 -1.610 -8.706 1.00 0.15 H new ATOM 0 HG12 ILE A 15 12.825 -3.202 -10.593 1.00 0.17 H new ATOM 0 HG13 ILE A 15 14.442 -3.112 -9.923 1.00 0.17 H new ATOM 0 HG21 ILE A 15 14.718 -2.876 -7.424 1.00 0.17 H new ATOM 0 HG22 ILE A 15 13.302 -2.461 -6.430 1.00 0.17 H new ATOM 0 HG23 ILE A 15 13.496 -4.116 -7.055 1.00 0.17 H new ATOM 0 HD11 ILE A 15 13.847 -5.405 -10.470 1.00 0.19 H new ATOM 0 HD12 ILE A 15 14.074 -5.221 -8.715 1.00 0.19 H new ATOM 0 HD13 ILE A 15 12.432 -5.312 -9.395 1.00 0.19 H new ATOM 213 N ILE A 16 10.975 -2.106 -6.124 1.00 0.13 N ATOM 214 CA ILE A 16 10.487 -1.206 -5.100 1.00 0.11 C ATOM 215 C ILE A 16 11.596 -0.885 -4.116 1.00 0.12 C ATOM 216 O ILE A 16 12.331 -1.772 -3.690 1.00 0.15 O ATOM 217 CB ILE A 16 9.275 -1.829 -4.376 1.00 0.12 C ATOM 218 CG1 ILE A 16 8.028 -1.033 -4.716 1.00 0.12 C ATOM 219 CG2 ILE A 16 9.469 -1.886 -2.863 1.00 0.13 C ATOM 220 CD1 ILE A 16 6.762 -1.669 -4.210 1.00 0.16 C ATOM 0 H ILE A 16 11.442 -2.936 -5.758 1.00 0.13 H new ATOM 0 HA ILE A 16 10.164 -0.277 -5.569 1.00 0.11 H new ATOM 0 HB ILE A 16 9.170 -2.858 -4.720 1.00 0.12 H new ATOM 0 HG12 ILE A 16 8.118 -0.032 -4.294 1.00 0.12 H new ATOM 0 HG13 ILE A 16 7.962 -0.918 -5.798 1.00 0.12 H new ATOM 0 HG21 ILE A 16 8.589 -2.332 -2.400 1.00 0.13 H new ATOM 0 HG22 ILE A 16 10.347 -2.490 -2.631 1.00 0.13 H new ATOM 0 HG23 ILE A 16 9.610 -0.877 -2.476 1.00 0.13 H new ATOM 0 HD11 ILE A 16 5.908 -1.050 -4.486 1.00 0.16 H new ATOM 0 HD12 ILE A 16 6.651 -2.659 -4.652 1.00 0.16 H new ATOM 0 HD13 ILE A 16 6.809 -1.759 -3.125 1.00 0.16 H new ATOM 232 N ALA A 17 11.756 0.384 -3.807 1.00 0.10 N ATOM 233 CA ALA A 17 12.759 0.798 -2.846 1.00 0.10 C ATOM 234 C ALA A 17 12.227 1.854 -1.886 1.00 0.08 C ATOM 235 O ALA A 17 11.938 2.976 -2.286 1.00 0.08 O ATOM 236 CB ALA A 17 13.991 1.296 -3.575 1.00 0.12 C ATOM 0 H ALA A 17 11.207 1.146 -4.205 1.00 0.10 H new ATOM 0 HA ALA A 17 13.028 -0.068 -2.242 1.00 0.10 H new ATOM 0 HB1 ALA A 17 14.743 1.606 -2.849 1.00 0.12 H new ATOM 0 HB2 ALA A 17 14.395 0.496 -4.196 1.00 0.12 H new ATOM 0 HB3 ALA A 17 13.723 2.144 -4.205 1.00 0.12 H new ATOM 242 N ILE A 18 12.086 1.484 -0.625 1.00 0.08 N ATOM 243 CA ILE A 18 11.746 2.432 0.421 1.00 0.08 C ATOM 244 C ILE A 18 13.022 3.073 0.935 1.00 0.09 C ATOM 245 O ILE A 18 13.914 2.379 1.424 1.00 0.18 O ATOM 246 CB ILE A 18 11.070 1.796 1.645 1.00 0.10 C ATOM 247 CG1 ILE A 18 9.939 0.854 1.237 1.00 0.12 C ATOM 248 CG2 ILE A 18 10.556 2.898 2.574 1.00 0.13 C ATOM 249 CD1 ILE A 18 10.387 -0.568 1.014 1.00 0.12 C ATOM 0 H ILE A 18 12.203 0.525 -0.299 1.00 0.08 H new ATOM 0 HA ILE A 18 11.051 3.138 -0.034 1.00 0.08 H new ATOM 0 HB ILE A 18 11.809 1.195 2.175 1.00 0.10 H new ATOM 0 HG12 ILE A 18 9.171 0.867 2.010 1.00 0.12 H new ATOM 0 HG13 ILE A 18 9.478 1.228 0.323 1.00 0.12 H new ATOM 0 HG21 ILE A 18 10.076 2.447 3.443 1.00 0.13 H new ATOM 0 HG22 ILE A 18 11.391 3.517 2.901 1.00 0.13 H new ATOM 0 HG23 ILE A 18 9.834 3.516 2.041 1.00 0.13 H new ATOM 0 HD11 ILE A 18 9.531 -1.178 0.727 1.00 0.12 H new ATOM 0 HD12 ILE A 18 11.133 -0.594 0.220 1.00 0.12 H new ATOM 0 HD13 ILE A 18 10.821 -0.961 1.933 1.00 0.12 H new ATOM 261 N ASN A 19 13.115 4.372 0.838 1.00 0.13 N ATOM 262 CA ASN A 19 14.295 5.073 1.294 1.00 0.18 C ATOM 263 C ASN A 19 13.914 6.158 2.258 1.00 0.20 C ATOM 264 O ASN A 19 13.066 6.992 1.941 1.00 0.21 O ATOM 265 CB ASN A 19 15.044 5.659 0.088 1.00 0.22 C ATOM 266 CG ASN A 19 15.942 6.828 0.449 1.00 0.43 C ATOM 267 OD1 ASN A 19 15.422 8.039 0.294 1.00 1.12 O flip ATOM 268 ND2 ASN A 19 17.089 6.649 0.847 1.00 0.29 N flip ATOM 0 H ASN A 19 12.388 4.972 0.447 1.00 0.13 H new ATOM 0 HA ASN A 19 14.952 4.373 1.811 1.00 0.18 H new ATOM 0 HB2 ASN A 19 15.646 4.876 -0.372 1.00 0.22 H new ATOM 0 HB3 ASN A 19 14.319 5.984 -0.658 1.00 0.22 H new ATOM 0 HD21 ASN A 19 17.450 5.701 0.952 1.00 0.29 H new ATOM 0 HD22 ASN A 19 17.681 7.448 1.073 1.00 0.29 H new ATOM 275 N GLU A 20 14.496 6.160 3.450 1.00 0.24 N ATOM 276 CA GLU A 20 14.420 7.369 4.209 1.00 0.28 C ATOM 277 C GLU A 20 15.810 7.992 4.217 1.00 0.34 C ATOM 278 O GLU A 20 16.599 7.787 5.140 1.00 0.40 O ATOM 279 CB GLU A 20 14.035 7.079 5.662 1.00 0.33 C ATOM 280 CG GLU A 20 12.871 6.131 5.843 1.00 0.33 C ATOM 281 CD GLU A 20 12.619 5.833 7.307 1.00 0.55 C ATOM 282 OE1 GLU A 20 11.951 6.650 7.977 1.00 0.70 O ATOM 283 OE2 GLU A 20 13.065 4.768 7.789 1.00 0.74 O ATOM 0 H GLU A 20 14.994 5.381 3.880 1.00 0.24 H new ATOM 0 HA GLU A 20 13.671 8.025 3.765 1.00 0.28 H new ATOM 0 HB2 GLU A 20 14.903 6.665 6.175 1.00 0.33 H new ATOM 0 HB3 GLU A 20 13.794 8.022 6.152 1.00 0.33 H new ATOM 0 HG2 GLU A 20 11.975 6.565 5.400 1.00 0.33 H new ATOM 0 HG3 GLU A 20 13.072 5.201 5.311 1.00 0.33 H new ATOM 290 N ASP A 21 16.099 8.736 3.175 1.00 0.35 N ATOM 291 CA ASP A 21 17.095 9.791 3.167 1.00 0.41 C ATOM 292 C ASP A 21 16.369 11.058 2.780 1.00 0.41 C ATOM 293 O ASP A 21 16.866 12.179 2.875 1.00 0.46 O ATOM 294 CB ASP A 21 18.222 9.448 2.187 1.00 0.44 C ATOM 295 CG ASP A 21 19.183 10.596 1.953 1.00 0.51 C ATOM 296 OD1 ASP A 21 19.989 10.896 2.861 1.00 0.59 O ATOM 297 OD2 ASP A 21 19.133 11.206 0.866 1.00 0.53 O ATOM 0 H ASP A 21 15.632 8.622 2.275 1.00 0.35 H new ATOM 0 HA ASP A 21 17.567 9.914 4.142 1.00 0.41 H new ATOM 0 HB2 ASP A 21 18.777 8.591 2.568 1.00 0.44 H new ATOM 0 HB3 ASP A 21 17.787 9.148 1.234 1.00 0.44 H new ATOM 302 N VAL A 22 15.137 10.811 2.374 1.00 0.35 N ATOM 303 CA VAL A 22 14.368 11.702 1.533 1.00 0.33 C ATOM 304 C VAL A 22 13.329 12.491 2.340 1.00 0.31 C ATOM 305 O VAL A 22 13.183 12.290 3.552 1.00 0.30 O ATOM 306 CB VAL A 22 13.665 10.796 0.476 1.00 0.30 C ATOM 307 CG1 VAL A 22 12.673 9.868 1.153 1.00 0.25 C ATOM 308 CG2 VAL A 22 12.978 11.565 -0.634 1.00 0.32 C ATOM 0 H VAL A 22 14.633 9.962 2.628 1.00 0.35 H new ATOM 0 HA VAL A 22 15.016 12.444 1.066 1.00 0.33 H new ATOM 0 HB VAL A 22 14.459 10.219 0.003 1.00 0.30 H new ATOM 0 HG11 VAL A 22 12.190 9.242 0.403 1.00 0.25 H new ATOM 0 HG12 VAL A 22 13.197 9.236 1.870 1.00 0.25 H new ATOM 0 HG13 VAL A 22 11.919 10.459 1.673 1.00 0.25 H new ATOM 0 HG21 VAL A 22 12.513 10.865 -1.328 1.00 0.32 H new ATOM 0 HG22 VAL A 22 12.214 12.214 -0.208 1.00 0.32 H new ATOM 0 HG23 VAL A 22 13.712 12.170 -1.166 1.00 0.32 H new ATOM 318 N SER A 23 12.633 13.398 1.653 1.00 0.32 N ATOM 319 CA SER A 23 11.426 14.035 2.166 1.00 0.28 C ATOM 320 C SER A 23 10.469 12.916 2.573 1.00 0.18 C ATOM 321 O SER A 23 10.712 11.791 2.153 1.00 0.16 O ATOM 322 CB SER A 23 10.830 14.925 1.079 1.00 0.35 C ATOM 323 OG SER A 23 11.838 15.714 0.462 1.00 1.31 O ATOM 0 H SER A 23 12.896 13.711 0.718 1.00 0.32 H new ATOM 0 HA SER A 23 11.631 14.669 3.029 1.00 0.28 H new ATOM 0 HB2 SER A 23 10.335 14.308 0.329 1.00 0.35 H new ATOM 0 HB3 SER A 23 10.068 15.574 1.511 1.00 0.35 H new ATOM 0 HG SER A 23 11.435 16.275 -0.233 1.00 1.31 H new ATOM 329 N PRO A 24 9.361 13.153 3.320 1.00 0.16 N ATOM 330 CA PRO A 24 8.764 12.104 4.171 1.00 0.16 C ATOM 331 C PRO A 24 8.741 10.766 3.451 1.00 0.15 C ATOM 332 O PRO A 24 8.229 10.669 2.333 1.00 0.22 O ATOM 333 CB PRO A 24 7.333 12.613 4.387 1.00 0.21 C ATOM 334 CG PRO A 24 7.159 13.694 3.377 1.00 0.19 C ATOM 335 CD PRO A 24 8.507 14.343 3.296 1.00 0.17 C ATOM 0 HA PRO A 24 9.317 11.940 5.096 1.00 0.16 H new ATOM 0 HB2 PRO A 24 6.603 11.816 4.243 1.00 0.21 H new ATOM 0 HB3 PRO A 24 7.196 12.992 5.400 1.00 0.21 H new ATOM 0 HG2 PRO A 24 6.852 13.291 2.412 1.00 0.19 H new ATOM 0 HG3 PRO A 24 6.392 14.406 3.684 1.00 0.19 H new ATOM 0 HD2 PRO A 24 8.634 14.929 2.386 1.00 0.17 H new ATOM 0 HD3 PRO A 24 8.699 15.012 4.135 1.00 0.17 H new ATOM 343 N ALA A 25 9.277 9.750 4.148 1.00 0.15 N ATOM 344 CA ALA A 25 9.841 8.545 3.528 1.00 0.14 C ATOM 345 C ALA A 25 9.169 8.149 2.242 1.00 0.14 C ATOM 346 O ALA A 25 7.945 8.084 2.146 1.00 0.18 O ATOM 347 CB ALA A 25 9.838 7.373 4.476 1.00 0.20 C ATOM 0 H ALA A 25 9.330 9.745 5.167 1.00 0.15 H new ATOM 0 HA ALA A 25 10.869 8.816 3.286 1.00 0.14 H new ATOM 0 HB1 ALA A 25 10.263 6.501 3.978 1.00 0.20 H new ATOM 0 HB2 ALA A 25 10.434 7.615 5.356 1.00 0.20 H new ATOM 0 HB3 ALA A 25 8.815 7.154 4.780 1.00 0.20 H new ATOM 353 N GLU A 26 9.989 7.832 1.273 1.00 0.14 N ATOM 354 CA GLU A 26 9.508 7.591 -0.053 1.00 0.15 C ATOM 355 C GLU A 26 9.872 6.192 -0.519 1.00 0.11 C ATOM 356 O GLU A 26 10.995 5.720 -0.334 1.00 0.13 O ATOM 357 CB GLU A 26 10.000 8.667 -1.050 1.00 0.27 C ATOM 358 CG GLU A 26 9.181 9.953 -0.993 1.00 0.66 C ATOM 359 CD GLU A 26 9.625 10.997 -2.006 1.00 0.71 C ATOM 360 OE1 GLU A 26 9.502 10.748 -3.222 1.00 1.26 O ATOM 361 OE2 GLU A 26 10.081 12.083 -1.591 1.00 1.14 O ATOM 0 H GLU A 26 10.998 7.736 1.384 1.00 0.14 H new ATOM 0 HA GLU A 26 8.421 7.661 -0.023 1.00 0.15 H new ATOM 0 HB2 GLU A 26 11.044 8.898 -0.840 1.00 0.27 H new ATOM 0 HB3 GLU A 26 9.960 8.262 -2.061 1.00 0.27 H new ATOM 0 HG2 GLU A 26 8.131 9.714 -1.164 1.00 0.66 H new ATOM 0 HG3 GLU A 26 9.252 10.376 0.009 1.00 0.66 H new ATOM 368 N LEU A 27 8.894 5.540 -1.108 1.00 0.10 N ATOM 369 CA LEU A 27 9.065 4.253 -1.747 1.00 0.09 C ATOM 370 C LEU A 27 9.168 4.530 -3.215 1.00 0.09 C ATOM 371 O LEU A 27 8.465 5.382 -3.727 1.00 0.13 O ATOM 372 CB LEU A 27 7.838 3.365 -1.467 1.00 0.11 C ATOM 373 CG LEU A 27 7.656 2.101 -2.340 1.00 0.10 C ATOM 374 CD1 LEU A 27 6.620 1.210 -1.710 1.00 0.15 C ATOM 375 CD2 LEU A 27 7.200 2.427 -3.765 1.00 0.11 C ATOM 0 H LEU A 27 7.939 5.896 -1.157 1.00 0.10 H new ATOM 0 HA LEU A 27 9.948 3.733 -1.374 1.00 0.09 H new ATOM 0 HB2 LEU A 27 7.882 3.050 -0.424 1.00 0.11 H new ATOM 0 HB3 LEU A 27 6.945 3.981 -1.577 1.00 0.11 H new ATOM 0 HG LEU A 27 8.628 1.611 -2.399 1.00 0.10 H new ATOM 0 HD11 LEU A 27 6.488 0.317 -2.321 1.00 0.15 H new ATOM 0 HD12 LEU A 27 6.948 0.921 -0.711 1.00 0.15 H new ATOM 0 HD13 LEU A 27 5.673 1.746 -1.640 1.00 0.15 H new ATOM 0 HD21 LEU A 27 7.089 1.503 -4.332 1.00 0.11 H new ATOM 0 HD22 LEU A 27 6.244 2.949 -3.731 1.00 0.11 H new ATOM 0 HD23 LEU A 27 7.943 3.062 -4.248 1.00 0.11 H new ATOM 387 N THR A 28 10.014 3.829 -3.900 1.00 0.08 N ATOM 388 CA THR A 28 10.176 4.083 -5.300 1.00 0.09 C ATOM 389 C THR A 28 10.033 2.803 -6.088 1.00 0.08 C ATOM 390 O THR A 28 10.889 1.922 -6.020 1.00 0.10 O ATOM 391 CB THR A 28 11.536 4.730 -5.585 1.00 0.14 C ATOM 392 OG1 THR A 28 11.797 5.761 -4.621 1.00 0.21 O ATOM 393 CG2 THR A 28 11.544 5.325 -6.976 1.00 0.14 C ATOM 0 H THR A 28 10.598 3.084 -3.521 1.00 0.08 H new ATOM 0 HA THR A 28 9.394 4.777 -5.610 1.00 0.09 H new ATOM 0 HB THR A 28 12.311 3.967 -5.516 1.00 0.14 H new ATOM 0 HG1 THR A 28 12.668 6.170 -4.807 1.00 0.21 H new ATOM 0 HG21 THR A 28 12.514 5.783 -7.170 1.00 0.14 H new ATOM 0 HG22 THR A 28 11.360 4.539 -7.709 1.00 0.14 H new ATOM 0 HG23 THR A 28 10.764 6.082 -7.052 1.00 0.14 H new ATOM 401 N TRP A 29 8.931 2.685 -6.811 1.00 0.08 N ATOM 402 CA TRP A 29 8.740 1.544 -7.677 1.00 0.08 C ATOM 403 C TRP A 29 9.310 1.854 -9.045 1.00 0.08 C ATOM 404 O TRP A 29 8.769 2.648 -9.801 1.00 0.12 O ATOM 405 CB TRP A 29 7.270 1.132 -7.792 1.00 0.11 C ATOM 406 CG TRP A 29 7.078 -0.044 -8.707 1.00 0.11 C ATOM 407 CD1 TRP A 29 7.216 -1.368 -8.398 1.00 0.13 C ATOM 408 CD2 TRP A 29 6.732 0.007 -10.093 1.00 0.14 C ATOM 409 NE1 TRP A 29 6.986 -2.138 -9.512 1.00 0.14 N ATOM 410 CE2 TRP A 29 6.687 -1.317 -10.563 1.00 0.14 C ATOM 411 CE3 TRP A 29 6.455 1.047 -10.979 1.00 0.19 C ATOM 412 CZ2 TRP A 29 6.382 -1.624 -11.885 1.00 0.19 C ATOM 413 CZ3 TRP A 29 6.150 0.740 -12.285 1.00 0.24 C ATOM 414 CH2 TRP A 29 6.115 -0.583 -12.729 1.00 0.24 C ATOM 0 H TRP A 29 8.166 3.359 -6.813 1.00 0.08 H new ATOM 0 HA TRP A 29 9.267 0.698 -7.235 1.00 0.08 H new ATOM 0 HB2 TRP A 29 6.885 0.886 -6.802 1.00 0.11 H new ATOM 0 HB3 TRP A 29 6.686 1.976 -8.160 1.00 0.11 H new ATOM 0 HD1 TRP A 29 7.469 -1.753 -7.421 1.00 0.13 H new ATOM 0 HE1 TRP A 29 7.031 -3.156 -9.549 1.00 0.14 H new ATOM 0 HE3 TRP A 29 6.479 2.074 -10.647 1.00 0.19 H new ATOM 0 HZ2 TRP A 29 6.357 -2.647 -12.231 1.00 0.19 H new ATOM 0 HZ3 TRP A 29 5.934 1.538 -12.980 1.00 0.24 H new ATOM 0 HH2 TRP A 29 5.872 -0.788 -13.761 1.00 0.24 H new ATOM 425 N ARG A 30 10.415 1.232 -9.331 1.00 0.10 N ATOM 426 CA ARG A 30 11.109 1.405 -10.582 1.00 0.12 C ATOM 427 C ARG A 30 11.064 0.107 -11.356 1.00 0.13 C ATOM 428 O ARG A 30 11.561 -0.899 -10.874 1.00 0.15 O ATOM 429 CB ARG A 30 12.553 1.772 -10.296 1.00 0.15 C ATOM 430 CG ARG A 30 13.457 1.639 -11.496 1.00 0.21 C ATOM 431 CD ARG A 30 14.859 1.290 -11.056 1.00 0.32 C ATOM 432 NE ARG A 30 15.765 1.065 -12.182 1.00 0.33 N ATOM 433 CZ ARG A 30 16.812 0.241 -12.143 1.00 0.47 C ATOM 434 NH1 ARG A 30 17.070 -0.465 -11.047 1.00 0.87 N ATOM 435 NH2 ARG A 30 17.604 0.119 -13.200 1.00 0.51 N ATOM 0 H ARG A 30 10.871 0.578 -8.694 1.00 0.10 H new ATOM 0 HA ARG A 30 10.637 2.195 -11.166 1.00 0.12 H new ATOM 0 HB2 ARG A 30 12.593 2.799 -9.933 1.00 0.15 H new ATOM 0 HB3 ARG A 30 12.929 1.136 -9.495 1.00 0.15 H new ATOM 0 HG2 ARG A 30 13.075 0.867 -12.165 1.00 0.21 H new ATOM 0 HG3 ARG A 30 13.466 2.572 -12.059 1.00 0.21 H new ATOM 0 HD2 ARG A 30 15.251 2.095 -10.435 1.00 0.32 H new ATOM 0 HD3 ARG A 30 14.828 0.395 -10.435 1.00 0.32 H new ATOM 0 HE ARG A 30 15.585 1.569 -13.050 1.00 0.33 H new ATOM 0 HH11 ARG A 30 16.465 -0.378 -10.230 1.00 0.87 H new ATOM 0 HH12 ARG A 30 17.873 -1.094 -11.023 1.00 0.87 H new ATOM 0 HH21 ARG A 30 17.413 0.657 -14.045 1.00 0.51 H new ATOM 0 HH22 ARG A 30 18.404 -0.512 -13.167 1.00 0.51 H new ATOM 449 N SER A 31 10.495 0.118 -12.549 1.00 0.16 N ATOM 450 CA SER A 31 10.356 -1.108 -13.304 1.00 0.18 C ATOM 451 C SER A 31 11.734 -1.672 -13.598 1.00 0.20 C ATOM 452 O SER A 31 12.699 -0.930 -13.772 1.00 0.24 O ATOM 453 CB SER A 31 9.555 -0.883 -14.592 1.00 0.28 C ATOM 454 OG SER A 31 10.246 -0.068 -15.519 1.00 0.75 O ATOM 0 H SER A 31 10.127 0.951 -13.008 1.00 0.16 H new ATOM 0 HA SER A 31 9.797 -1.831 -12.710 1.00 0.18 H new ATOM 0 HB2 SER A 31 9.334 -1.846 -15.052 1.00 0.28 H new ATOM 0 HB3 SER A 31 8.599 -0.420 -14.347 1.00 0.28 H new ATOM 0 HG SER A 31 10.389 -0.567 -16.350 1.00 0.75 H new ATOM 460 N THR A 32 11.810 -2.994 -13.596 1.00 0.20 N ATOM 461 CA THR A 32 13.070 -3.719 -13.721 1.00 0.26 C ATOM 462 C THR A 32 13.861 -3.287 -14.964 1.00 0.30 C ATOM 463 O THR A 32 15.078 -3.445 -15.018 1.00 0.38 O ATOM 464 CB THR A 32 12.806 -5.232 -13.786 1.00 0.31 C ATOM 465 OG1 THR A 32 11.889 -5.601 -12.748 1.00 0.31 O ATOM 466 CG2 THR A 32 14.096 -6.027 -13.626 1.00 0.39 C ATOM 0 H THR A 32 10.995 -3.600 -13.507 1.00 0.20 H new ATOM 0 HA THR A 32 13.668 -3.482 -12.841 1.00 0.26 H new ATOM 0 HB THR A 32 12.381 -5.462 -14.763 1.00 0.31 H new ATOM 0 HG1 THR A 32 11.719 -6.565 -12.790 1.00 0.31 H new ATOM 0 HG21 THR A 32 13.875 -7.093 -13.677 1.00 0.39 H new ATOM 0 HG22 THR A 32 14.788 -5.762 -14.425 1.00 0.39 H new ATOM 0 HG23 THR A 32 14.549 -5.796 -12.662 1.00 0.39 H new ATOM 474 N ASP A 33 13.159 -2.741 -15.955 1.00 0.32 N ATOM 475 CA ASP A 33 13.775 -2.283 -17.186 1.00 0.39 C ATOM 476 C ASP A 33 14.259 -0.839 -17.080 1.00 0.37 C ATOM 477 O ASP A 33 14.963 -0.347 -17.961 1.00 0.44 O ATOM 478 CB ASP A 33 12.766 -2.387 -18.323 1.00 0.52 C ATOM 479 CG ASP A 33 12.603 -3.797 -18.846 1.00 1.60 C ATOM 480 OD1 ASP A 33 11.812 -4.568 -18.260 1.00 2.33 O ATOM 481 OD2 ASP A 33 13.255 -4.135 -19.856 1.00 2.07 O ATOM 0 H ASP A 33 12.148 -2.606 -15.922 1.00 0.32 H new ATOM 0 HA ASP A 33 14.641 -2.915 -17.379 1.00 0.39 H new ATOM 0 HB2 ASP A 33 11.799 -2.020 -17.977 1.00 0.52 H new ATOM 0 HB3 ASP A 33 13.080 -1.737 -19.140 1.00 0.52 H new ATOM 486 N GLY A 34 13.869 -0.158 -16.010 1.00 0.36 N ATOM 487 CA GLY A 34 14.222 1.241 -15.849 1.00 0.37 C ATOM 488 C GLY A 34 13.329 2.142 -16.674 1.00 0.42 C ATOM 489 O GLY A 34 13.689 3.276 -16.991 1.00 0.55 O ATOM 0 H GLY A 34 13.314 -0.549 -15.249 1.00 0.36 H new ATOM 0 HA2 GLY A 34 14.145 1.517 -14.797 1.00 0.37 H new ATOM 0 HA3 GLY A 34 15.261 1.390 -16.143 1.00 0.37 H new ATOM 493 N ASP A 35 12.161 1.627 -17.026 1.00 0.45 N ATOM 494 CA ASP A 35 11.232 2.334 -17.899 1.00 0.55 C ATOM 495 C ASP A 35 10.217 3.138 -17.094 1.00 0.46 C ATOM 496 O ASP A 35 9.936 4.296 -17.402 1.00 0.74 O ATOM 497 CB ASP A 35 10.524 1.333 -18.804 1.00 0.73 C ATOM 498 CG ASP A 35 9.419 1.957 -19.632 1.00 0.89 C ATOM 499 OD1 ASP A 35 9.712 2.462 -20.738 1.00 1.13 O ATOM 500 OD2 ASP A 35 8.253 1.930 -19.192 1.00 0.92 O ATOM 0 H ASP A 35 11.830 0.713 -16.718 1.00 0.45 H new ATOM 0 HA ASP A 35 11.797 3.038 -18.510 1.00 0.55 H new ATOM 0 HB2 ASP A 35 11.255 0.875 -19.471 1.00 0.73 H new ATOM 0 HB3 ASP A 35 10.105 0.534 -18.193 1.00 0.73 H new ATOM 505 N LYS A 36 9.679 2.518 -16.063 1.00 0.34 N ATOM 506 CA LYS A 36 8.698 3.162 -15.204 1.00 0.34 C ATOM 507 C LYS A 36 9.283 3.440 -13.833 1.00 0.27 C ATOM 508 O LYS A 36 10.097 2.667 -13.333 1.00 0.34 O ATOM 509 CB LYS A 36 7.462 2.285 -15.030 1.00 0.55 C ATOM 510 CG LYS A 36 6.255 2.734 -15.818 1.00 0.92 C ATOM 511 CD LYS A 36 5.094 1.785 -15.590 1.00 0.90 C ATOM 512 CE LYS A 36 3.917 2.107 -16.491 1.00 1.25 C ATOM 513 NZ LYS A 36 2.685 1.374 -16.091 1.00 2.03 N ATOM 0 H LYS A 36 9.906 1.560 -15.796 1.00 0.34 H new ATOM 0 HA LYS A 36 8.417 4.099 -15.684 1.00 0.34 H new ATOM 0 HB2 LYS A 36 7.712 1.266 -15.324 1.00 0.55 H new ATOM 0 HB3 LYS A 36 7.199 2.257 -13.973 1.00 0.55 H new ATOM 0 HG2 LYS A 36 5.972 3.743 -15.519 1.00 0.92 H new ATOM 0 HG3 LYS A 36 6.499 2.772 -16.880 1.00 0.92 H new ATOM 0 HD2 LYS A 36 5.421 0.761 -15.771 1.00 0.90 H new ATOM 0 HD3 LYS A 36 4.779 1.840 -14.548 1.00 0.90 H new ATOM 0 HE2 LYS A 36 3.724 3.179 -16.464 1.00 1.25 H new ATOM 0 HE3 LYS A 36 4.170 1.854 -17.521 1.00 1.25 H new ATOM 0 HZ1 LYS A 36 1.866 1.770 -16.595 1.00 2.03 H new ATOM 0 HZ2 LYS A 36 2.786 0.367 -16.332 1.00 2.03 H new ATOM 0 HZ3 LYS A 36 2.540 1.472 -15.066 1.00 2.03 H new ATOM 527 N VAL A 37 8.856 4.538 -13.236 1.00 0.22 N ATOM 528 CA VAL A 37 9.242 4.882 -11.871 1.00 0.21 C ATOM 529 C VAL A 37 8.072 5.554 -11.160 1.00 0.22 C ATOM 530 O VAL A 37 7.637 6.641 -11.542 1.00 0.32 O ATOM 531 CB VAL A 37 10.474 5.822 -11.819 1.00 0.22 C ATOM 532 CG1 VAL A 37 10.792 6.205 -10.384 1.00 0.54 C ATOM 533 CG2 VAL A 37 11.690 5.176 -12.467 1.00 0.55 C ATOM 0 H VAL A 37 8.235 5.216 -13.677 1.00 0.22 H new ATOM 0 HA VAL A 37 9.514 3.952 -11.372 1.00 0.21 H new ATOM 0 HB VAL A 37 10.227 6.723 -12.381 1.00 0.22 H new ATOM 0 HG11 VAL A 37 11.659 6.865 -10.367 1.00 0.54 H new ATOM 0 HG12 VAL A 37 9.936 6.719 -9.947 1.00 0.54 H new ATOM 0 HG13 VAL A 37 11.009 5.306 -9.807 1.00 0.54 H new ATOM 0 HG21 VAL A 37 12.537 5.860 -12.414 1.00 0.55 H new ATOM 0 HG22 VAL A 37 11.936 4.253 -11.941 1.00 0.55 H new ATOM 0 HG23 VAL A 37 11.470 4.951 -13.511 1.00 0.55 H new ATOM 543 N HIS A 38 7.572 4.901 -10.128 1.00 0.17 N ATOM 544 CA HIS A 38 6.429 5.385 -9.386 1.00 0.19 C ATOM 545 C HIS A 38 6.770 5.482 -7.907 1.00 0.17 C ATOM 546 O HIS A 38 6.950 4.466 -7.239 1.00 0.17 O ATOM 547 CB HIS A 38 5.268 4.427 -9.582 1.00 0.25 C ATOM 548 CG HIS A 38 3.928 5.055 -9.370 1.00 0.41 C ATOM 549 ND1 HIS A 38 3.086 5.383 -10.408 1.00 0.52 N ATOM 550 CD2 HIS A 38 3.285 5.420 -8.239 1.00 0.56 C ATOM 551 CE1 HIS A 38 1.988 5.925 -9.927 1.00 0.67 C ATOM 552 NE2 HIS A 38 2.077 5.962 -8.609 1.00 0.69 N ATOM 0 H HIS A 38 7.949 4.019 -9.782 1.00 0.17 H new ATOM 0 HA HIS A 38 6.155 6.376 -9.749 1.00 0.19 H new ATOM 0 HB2 HIS A 38 5.312 4.018 -10.592 1.00 0.25 H new ATOM 0 HB3 HIS A 38 5.380 3.589 -8.894 1.00 0.25 H new ATOM 0 HD2 HIS A 38 3.653 5.307 -7.230 1.00 0.56 H new ATOM 0 HE1 HIS A 38 1.153 6.281 -10.512 1.00 0.67 H new ATOM 0 HE2 HIS A 38 1.369 6.330 -7.974 1.00 0.69 H new ATOM 561 N THR A 39 6.852 6.691 -7.394 1.00 0.18 N ATOM 562 CA THR A 39 7.269 6.888 -6.020 1.00 0.17 C ATOM 563 C THR A 39 6.058 7.092 -5.091 1.00 0.19 C ATOM 564 O THR A 39 5.061 7.700 -5.481 1.00 0.30 O ATOM 565 CB THR A 39 8.212 8.098 -5.917 1.00 0.22 C ATOM 566 OG1 THR A 39 9.225 8.009 -6.929 1.00 0.23 O ATOM 567 CG2 THR A 39 8.867 8.153 -4.552 1.00 0.23 C ATOM 0 H THR A 39 6.637 7.548 -7.903 1.00 0.18 H new ATOM 0 HA THR A 39 7.797 5.989 -5.702 1.00 0.17 H new ATOM 0 HB THR A 39 7.626 9.006 -6.061 1.00 0.22 H new ATOM 0 HG1 THR A 39 9.823 8.782 -6.862 1.00 0.23 H new ATOM 0 HG21 THR A 39 9.530 9.017 -4.501 1.00 0.23 H new ATOM 0 HG22 THR A 39 8.099 8.239 -3.783 1.00 0.23 H new ATOM 0 HG23 THR A 39 9.444 7.243 -4.388 1.00 0.23 H new ATOM 575 N VAL A 40 6.142 6.557 -3.875 1.00 0.13 N ATOM 576 CA VAL A 40 5.095 6.729 -2.869 1.00 0.18 C ATOM 577 C VAL A 40 5.609 7.501 -1.648 1.00 0.11 C ATOM 578 O VAL A 40 6.654 7.160 -1.094 1.00 0.11 O ATOM 579 CB VAL A 40 4.561 5.360 -2.397 1.00 0.30 C ATOM 580 CG1 VAL A 40 3.765 5.505 -1.117 1.00 0.47 C ATOM 581 CG2 VAL A 40 3.708 4.711 -3.465 1.00 0.66 C ATOM 0 H VAL A 40 6.933 5.995 -3.560 1.00 0.13 H new ATOM 0 HA VAL A 40 4.294 7.298 -3.340 1.00 0.18 H new ATOM 0 HB VAL A 40 5.421 4.719 -2.204 1.00 0.30 H new ATOM 0 HG11 VAL A 40 3.399 4.527 -0.804 1.00 0.47 H new ATOM 0 HG12 VAL A 40 4.403 5.921 -0.337 1.00 0.47 H new ATOM 0 HG13 VAL A 40 2.920 6.171 -1.288 1.00 0.47 H new ATOM 0 HG21 VAL A 40 3.345 3.748 -3.106 1.00 0.66 H new ATOM 0 HG22 VAL A 40 2.860 5.356 -3.695 1.00 0.66 H new ATOM 0 HG23 VAL A 40 4.304 4.561 -4.365 1.00 0.66 H new ATOM 591 N VAL A 41 4.874 8.533 -1.230 1.00 0.10 N ATOM 592 CA VAL A 41 5.196 9.253 -0.005 1.00 0.10 C ATOM 593 C VAL A 41 4.457 8.629 1.172 1.00 0.08 C ATOM 594 O VAL A 41 3.242 8.762 1.309 1.00 0.09 O ATOM 595 CB VAL A 41 4.851 10.759 -0.097 1.00 0.13 C ATOM 596 CG1 VAL A 41 5.228 11.482 1.196 1.00 0.14 C ATOM 597 CG2 VAL A 41 5.555 11.390 -1.288 1.00 0.18 C ATOM 0 H VAL A 41 4.054 8.886 -1.723 1.00 0.10 H new ATOM 0 HA VAL A 41 6.273 9.173 0.143 1.00 0.10 H new ATOM 0 HB VAL A 41 3.775 10.857 -0.238 1.00 0.13 H new ATOM 0 HG11 VAL A 41 4.977 12.539 1.108 1.00 0.14 H new ATOM 0 HG12 VAL A 41 4.678 11.046 2.030 1.00 0.14 H new ATOM 0 HG13 VAL A 41 6.298 11.377 1.373 1.00 0.14 H new ATOM 0 HG21 VAL A 41 5.303 12.449 -1.340 1.00 0.18 H new ATOM 0 HG22 VAL A 41 6.633 11.279 -1.174 1.00 0.18 H new ATOM 0 HG23 VAL A 41 5.234 10.895 -2.205 1.00 0.18 H new ATOM 607 N LEU A 42 5.218 7.958 2.008 1.00 0.08 N ATOM 608 CA LEU A 42 4.711 7.254 3.189 1.00 0.09 C ATOM 609 C LEU A 42 3.865 8.146 4.096 1.00 0.10 C ATOM 610 O LEU A 42 3.007 7.653 4.818 1.00 0.12 O ATOM 611 CB LEU A 42 5.873 6.681 4.002 1.00 0.10 C ATOM 612 CG LEU A 42 6.472 5.360 3.503 1.00 0.10 C ATOM 613 CD1 LEU A 42 5.608 4.209 3.969 1.00 0.12 C ATOM 614 CD2 LEU A 42 6.614 5.330 1.985 1.00 0.10 C ATOM 0 H LEU A 42 6.228 7.878 1.893 1.00 0.08 H new ATOM 0 HA LEU A 42 4.070 6.454 2.818 1.00 0.09 H new ATOM 0 HB2 LEU A 42 6.668 7.426 4.032 1.00 0.10 H new ATOM 0 HB3 LEU A 42 5.533 6.536 5.027 1.00 0.10 H new ATOM 0 HG LEU A 42 7.474 5.267 3.921 1.00 0.10 H new ATOM 0 HD11 LEU A 42 6.032 3.269 3.615 1.00 0.12 H new ATOM 0 HD12 LEU A 42 5.568 4.202 5.058 1.00 0.12 H new ATOM 0 HD13 LEU A 42 4.600 4.325 3.570 1.00 0.12 H new ATOM 0 HD21 LEU A 42 7.042 4.376 1.678 1.00 0.10 H new ATOM 0 HD22 LEU A 42 5.633 5.452 1.525 1.00 0.10 H new ATOM 0 HD23 LEU A 42 7.268 6.141 1.665 1.00 0.10 H new ATOM 626 N SER A 43 4.109 9.449 4.077 1.00 0.12 N ATOM 627 CA SER A 43 3.350 10.356 4.931 1.00 0.15 C ATOM 628 C SER A 43 1.990 10.691 4.328 1.00 0.14 C ATOM 629 O SER A 43 1.034 10.952 5.054 1.00 0.17 O ATOM 630 CB SER A 43 4.134 11.624 5.205 1.00 0.20 C ATOM 631 OG SER A 43 5.254 11.341 6.017 1.00 1.06 O ATOM 0 H SER A 43 4.813 9.897 3.491 1.00 0.12 H new ATOM 0 HA SER A 43 3.178 9.842 5.877 1.00 0.15 H new ATOM 0 HB2 SER A 43 4.461 12.068 4.265 1.00 0.20 H new ATOM 0 HB3 SER A 43 3.494 12.356 5.698 1.00 0.20 H new ATOM 0 HG SER A 43 5.072 11.627 6.937 1.00 1.06 H new ATOM 637 N THR A 44 1.901 10.696 3.003 1.00 0.13 N ATOM 638 CA THR A 44 0.606 10.842 2.353 1.00 0.14 C ATOM 639 C THR A 44 -0.154 9.526 2.455 1.00 0.13 C ATOM 640 O THR A 44 -1.363 9.467 2.248 1.00 0.18 O ATOM 641 CB THR A 44 0.727 11.268 0.873 1.00 0.16 C ATOM 642 OG1 THR A 44 1.468 10.297 0.122 1.00 0.17 O ATOM 643 CG2 THR A 44 1.406 12.624 0.756 1.00 0.20 C ATOM 0 H THR A 44 2.694 10.603 2.369 1.00 0.13 H new ATOM 0 HA THR A 44 0.065 11.637 2.866 1.00 0.14 H new ATOM 0 HB THR A 44 -0.282 11.338 0.466 1.00 0.16 H new ATOM 0 HG1 THR A 44 1.934 9.694 0.738 1.00 0.17 H new ATOM 0 HG21 THR A 44 1.481 12.904 -0.295 1.00 0.20 H new ATOM 0 HG22 THR A 44 0.820 13.372 1.290 1.00 0.20 H new ATOM 0 HG23 THR A 44 2.405 12.569 1.189 1.00 0.20 H new ATOM 651 N ILE A 45 0.587 8.476 2.773 1.00 0.11 N ATOM 652 CA ILE A 45 0.029 7.168 3.032 1.00 0.12 C ATOM 653 C ILE A 45 -0.647 7.113 4.406 1.00 0.16 C ATOM 654 O ILE A 45 -0.031 7.373 5.436 1.00 0.23 O ATOM 655 CB ILE A 45 1.127 6.093 2.932 1.00 0.12 C ATOM 656 CG1 ILE A 45 1.712 6.073 1.516 1.00 0.10 C ATOM 657 CG2 ILE A 45 0.587 4.726 3.303 1.00 0.16 C ATOM 658 CD1 ILE A 45 0.694 5.770 0.421 1.00 0.10 C ATOM 0 H ILE A 45 1.603 8.514 2.858 1.00 0.11 H new ATOM 0 HA ILE A 45 -0.732 6.970 2.277 1.00 0.12 H new ATOM 0 HB ILE A 45 1.918 6.342 3.639 1.00 0.12 H new ATOM 0 HG12 ILE A 45 2.171 7.040 1.311 1.00 0.10 H new ATOM 0 HG13 ILE A 45 2.506 5.328 1.474 1.00 0.10 H new ATOM 0 HG21 ILE A 45 1.384 3.986 3.224 1.00 0.16 H new ATOM 0 HG22 ILE A 45 0.213 4.748 4.327 1.00 0.16 H new ATOM 0 HG23 ILE A 45 -0.225 4.459 2.626 1.00 0.16 H new ATOM 0 HD11 ILE A 45 1.191 5.775 -0.549 1.00 0.10 H new ATOM 0 HD12 ILE A 45 0.251 4.790 0.597 1.00 0.10 H new ATOM 0 HD13 ILE A 45 -0.089 6.529 0.432 1.00 0.10 H new ATOM 670 N ASP A 46 -1.936 6.801 4.381 1.00 0.16 N ATOM 671 CA ASP A 46 -2.749 6.630 5.576 1.00 0.22 C ATOM 672 C ASP A 46 -2.425 5.314 6.273 1.00 0.22 C ATOM 673 O ASP A 46 -2.189 5.282 7.482 1.00 0.28 O ATOM 674 CB ASP A 46 -4.230 6.648 5.183 1.00 0.28 C ATOM 675 CG ASP A 46 -5.164 6.609 6.373 1.00 0.46 C ATOM 676 OD1 ASP A 46 -5.494 7.680 6.914 1.00 0.70 O ATOM 677 OD2 ASP A 46 -5.553 5.499 6.793 1.00 0.61 O ATOM 0 H ASP A 46 -2.454 6.657 3.514 1.00 0.16 H new ATOM 0 HA ASP A 46 -2.532 7.446 6.265 1.00 0.22 H new ATOM 0 HB2 ASP A 46 -4.433 7.546 4.599 1.00 0.28 H new ATOM 0 HB3 ASP A 46 -4.438 5.794 4.538 1.00 0.28 H new ATOM 682 N LYS A 47 -2.426 4.230 5.501 1.00 0.21 N ATOM 683 CA LYS A 47 -2.126 2.897 6.024 1.00 0.27 C ATOM 684 C LYS A 47 -1.324 2.122 5.001 1.00 0.18 C ATOM 685 O LYS A 47 -1.409 2.389 3.813 1.00 0.20 O ATOM 686 CB LYS A 47 -3.406 2.092 6.316 1.00 0.41 C ATOM 687 CG LYS A 47 -4.359 2.753 7.299 1.00 1.07 C ATOM 688 CD LYS A 47 -3.750 2.856 8.687 1.00 1.01 C ATOM 689 CE LYS A 47 -4.689 3.545 9.661 1.00 1.60 C ATOM 690 NZ LYS A 47 -4.951 4.956 9.278 1.00 1.95 N ATOM 0 H LYS A 47 -2.633 4.248 4.502 1.00 0.21 H new ATOM 0 HA LYS A 47 -1.570 3.033 6.951 1.00 0.27 H new ATOM 0 HB2 LYS A 47 -3.934 1.921 5.378 1.00 0.41 H new ATOM 0 HB3 LYS A 47 -3.123 1.114 6.706 1.00 0.41 H new ATOM 0 HG2 LYS A 47 -4.619 3.749 6.941 1.00 1.07 H new ATOM 0 HG3 LYS A 47 -5.285 2.181 7.349 1.00 1.07 H new ATOM 0 HD2 LYS A 47 -3.512 1.858 9.055 1.00 1.01 H new ATOM 0 HD3 LYS A 47 -2.812 3.408 8.633 1.00 1.01 H new ATOM 0 HE2 LYS A 47 -5.632 3.000 9.703 1.00 1.60 H new ATOM 0 HE3 LYS A 47 -4.259 3.515 10.662 1.00 1.60 H new ATOM 0 HZ1 LYS A 47 -5.469 5.433 10.043 1.00 1.95 H new ATOM 0 HZ2 LYS A 47 -4.048 5.445 9.114 1.00 1.95 H new ATOM 0 HZ3 LYS A 47 -5.520 4.980 8.408 1.00 1.95 H new ATOM 704 N LEU A 48 -0.550 1.165 5.450 1.00 0.14 N ATOM 705 CA LEU A 48 0.025 0.207 4.540 1.00 0.10 C ATOM 706 C LEU A 48 -0.578 -1.153 4.797 1.00 0.11 C ATOM 707 O LEU A 48 -0.879 -1.513 5.929 1.00 0.14 O ATOM 708 CB LEU A 48 1.541 0.131 4.656 1.00 0.10 C ATOM 709 CG LEU A 48 2.138 -1.180 4.157 1.00 0.11 C ATOM 710 CD1 LEU A 48 2.085 -1.264 2.655 1.00 0.12 C ATOM 711 CD2 LEU A 48 3.556 -1.323 4.610 1.00 0.13 C ATOM 0 H LEU A 48 -0.305 1.029 6.431 1.00 0.14 H new ATOM 0 HA LEU A 48 -0.203 0.537 3.526 1.00 0.10 H new ATOM 0 HB2 LEU A 48 1.980 0.955 4.093 1.00 0.10 H new ATOM 0 HB3 LEU A 48 1.822 0.272 5.700 1.00 0.10 H new ATOM 0 HG LEU A 48 1.542 -1.990 4.577 1.00 0.11 H new ATOM 0 HD11 LEU A 48 2.518 -2.210 2.328 1.00 0.12 H new ATOM 0 HD12 LEU A 48 1.048 -1.205 2.324 1.00 0.12 H new ATOM 0 HD13 LEU A 48 2.651 -0.438 2.224 1.00 0.12 H new ATOM 0 HD21 LEU A 48 3.962 -2.265 4.243 1.00 0.13 H new ATOM 0 HD22 LEU A 48 4.148 -0.496 4.219 1.00 0.13 H new ATOM 0 HD23 LEU A 48 3.593 -1.312 5.699 1.00 0.13 H new ATOM 723 N GLN A 49 -0.739 -1.888 3.731 1.00 0.10 N ATOM 724 CA GLN A 49 -1.344 -3.193 3.769 1.00 0.11 C ATOM 725 C GLN A 49 -0.430 -4.203 3.111 1.00 0.10 C ATOM 726 O GLN A 49 0.407 -3.855 2.280 1.00 0.12 O ATOM 727 CB GLN A 49 -2.680 -3.174 3.048 1.00 0.15 C ATOM 728 CG GLN A 49 -3.619 -2.088 3.544 1.00 0.27 C ATOM 729 CD GLN A 49 -5.042 -2.275 3.060 1.00 0.86 C ATOM 730 OE1 GLN A 49 -5.201 -2.881 1.895 1.00 1.49 O flip ATOM 731 NE2 GLN A 49 -5.993 -1.875 3.730 1.00 1.03 N flip ATOM 0 H GLN A 49 -0.450 -1.594 2.798 1.00 0.10 H new ATOM 0 HA GLN A 49 -1.505 -3.473 4.810 1.00 0.11 H new ATOM 0 HB2 GLN A 49 -2.506 -3.034 1.981 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -3.163 -4.144 3.168 1.00 0.15 H new ATOM 0 HG2 GLN A 49 -3.610 -2.076 4.634 1.00 0.27 H new ATOM 0 HG3 GLN A 49 -3.252 -1.117 3.211 1.00 0.27 H new ATOM 0 HE21 GLN A 49 -5.828 -1.412 4.624 1.00 1.03 H new ATOM 0 HE22 GLN A 49 -6.946 -2.006 3.392 1.00 1.03 H new ATOM 740 N ALA A 50 -0.610 -5.444 3.482 1.00 0.11 N ATOM 741 CA ALA A 50 0.195 -6.536 2.981 1.00 0.13 C ATOM 742 C ALA A 50 -0.547 -7.842 3.244 1.00 0.18 C ATOM 743 O ALA A 50 -1.343 -7.916 4.184 1.00 0.25 O ATOM 744 CB ALA A 50 1.554 -6.522 3.668 1.00 0.16 C ATOM 0 H ALA A 50 -1.327 -5.732 4.148 1.00 0.11 H new ATOM 0 HA ALA A 50 0.362 -6.434 1.909 1.00 0.13 H new ATOM 0 HB1 ALA A 50 2.161 -7.345 3.291 1.00 0.16 H new ATOM 0 HB2 ALA A 50 2.056 -5.577 3.462 1.00 0.16 H new ATOM 0 HB3 ALA A 50 1.419 -6.634 4.744 1.00 0.16 H new ATOM 750 N THR A 51 -0.322 -8.843 2.402 1.00 0.17 N ATOM 751 CA THR A 51 -0.973 -10.145 2.545 1.00 0.22 C ATOM 752 C THR A 51 -0.834 -10.685 3.965 1.00 0.33 C ATOM 753 O THR A 51 0.271 -10.856 4.486 1.00 0.37 O ATOM 754 CB THR A 51 -0.378 -11.166 1.565 1.00 0.21 C ATOM 755 OG1 THR A 51 1.044 -11.149 1.643 1.00 0.25 O ATOM 756 CG2 THR A 51 -0.811 -10.884 0.139 1.00 0.20 C ATOM 0 H THR A 51 0.312 -8.779 1.605 1.00 0.17 H new ATOM 0 HA THR A 51 -2.030 -9.998 2.322 1.00 0.22 H new ATOM 0 HB THR A 51 -0.749 -12.151 1.847 1.00 0.21 H new ATOM 0 HG1 THR A 51 1.374 -10.256 1.412 1.00 0.25 H new ATOM 0 HG21 THR A 51 -0.372 -11.626 -0.528 1.00 0.20 H new ATOM 0 HG22 THR A 51 -1.898 -10.934 0.072 1.00 0.20 H new ATOM 0 HG23 THR A 51 -0.475 -9.889 -0.153 1.00 0.20 H new ATOM 764 N PRO A 52 -1.979 -10.929 4.598 1.00 0.41 N ATOM 765 CA PRO A 52 -2.070 -11.481 5.950 1.00 0.54 C ATOM 766 C PRO A 52 -1.684 -12.950 5.980 1.00 0.61 C ATOM 767 O PRO A 52 -1.536 -13.572 4.927 1.00 0.58 O ATOM 768 CB PRO A 52 -3.551 -11.316 6.292 1.00 0.64 C ATOM 769 CG PRO A 52 -4.230 -11.361 4.977 1.00 0.60 C ATOM 770 CD PRO A 52 -3.307 -10.680 4.018 1.00 0.45 C ATOM 0 HA PRO A 52 -1.398 -10.985 6.651 1.00 0.54 H new ATOM 0 HB2 PRO A 52 -3.900 -12.113 6.949 1.00 0.64 H new ATOM 0 HB3 PRO A 52 -3.739 -10.374 6.806 1.00 0.64 H new ATOM 0 HG2 PRO A 52 -4.422 -12.389 4.671 1.00 0.60 H new ATOM 0 HG3 PRO A 52 -5.195 -10.855 5.018 1.00 0.60 H new ATOM 0 HD2 PRO A 52 -3.392 -11.095 3.014 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -3.520 -9.614 3.942 1.00 0.45 H new ATOM 778 N ALA A 53 -1.486 -13.499 7.169 1.00 0.73 N ATOM 779 CA ALA A 53 -1.223 -14.929 7.314 1.00 0.86 C ATOM 780 C ALA A 53 -2.323 -15.749 6.633 1.00 0.91 C ATOM 781 O ALA A 53 -2.090 -16.859 6.158 1.00 1.00 O ATOM 782 CB ALA A 53 -1.115 -15.302 8.786 1.00 1.02 C ATOM 0 H ALA A 53 -1.502 -12.981 8.047 1.00 0.73 H new ATOM 0 HA ALA A 53 -0.274 -15.157 6.829 1.00 0.86 H new ATOM 0 HB1 ALA A 53 -0.919 -16.370 8.877 1.00 1.02 H new ATOM 0 HB2 ALA A 53 -0.299 -14.743 9.244 1.00 1.02 H new ATOM 0 HB3 ALA A 53 -2.050 -15.060 9.292 1.00 1.02 H new ATOM 788 N SER A 54 -3.518 -15.172 6.566 1.00 0.89 N ATOM 789 CA SER A 54 -4.659 -15.827 5.948 1.00 0.98 C ATOM 790 C SER A 54 -4.520 -15.842 4.423 1.00 0.88 C ATOM 791 O SER A 54 -5.120 -16.672 3.748 1.00 0.97 O ATOM 792 CB SER A 54 -5.945 -15.107 6.352 1.00 1.07 C ATOM 793 OG SER A 54 -7.077 -15.951 6.222 1.00 1.58 O ATOM 0 H SER A 54 -3.720 -14.243 6.937 1.00 0.89 H new ATOM 0 HA SER A 54 -4.698 -16.860 6.295 1.00 0.98 H new ATOM 0 HB2 SER A 54 -5.862 -14.764 7.383 1.00 1.07 H new ATOM 0 HB3 SER A 54 -6.077 -14.221 5.731 1.00 1.07 H new ATOM 0 HG SER A 54 -7.883 -15.461 6.489 1.00 1.58 H new ATOM 799 N SER A 55 -3.729 -14.923 3.887 1.00 0.71 N ATOM 800 CA SER A 55 -3.495 -14.864 2.451 1.00 0.61 C ATOM 801 C SER A 55 -2.341 -15.790 2.074 1.00 0.63 C ATOM 802 O SER A 55 -1.314 -15.819 2.754 1.00 0.71 O ATOM 803 CB SER A 55 -3.165 -13.431 2.015 1.00 0.55 C ATOM 804 OG SER A 55 -3.071 -13.332 0.603 1.00 0.54 O ATOM 0 H SER A 55 -3.239 -14.208 4.425 1.00 0.71 H new ATOM 0 HA SER A 55 -4.403 -15.186 1.941 1.00 0.61 H new ATOM 0 HB2 SER A 55 -3.935 -12.751 2.379 1.00 0.55 H new ATOM 0 HB3 SER A 55 -2.224 -13.118 2.467 1.00 0.55 H new ATOM 0 HG SER A 55 -3.486 -12.495 0.305 1.00 0.54 H new ATOM 810 N GLU A 56 -2.513 -16.539 0.993 1.00 0.61 N ATOM 811 CA GLU A 56 -1.487 -17.461 0.518 1.00 0.69 C ATOM 812 C GLU A 56 -0.533 -16.770 -0.443 1.00 0.60 C ATOM 813 O GLU A 56 0.474 -17.340 -0.867 1.00 0.70 O ATOM 814 CB GLU A 56 -2.134 -18.645 -0.168 1.00 0.80 C ATOM 815 CG GLU A 56 -2.931 -19.507 0.780 1.00 1.19 C ATOM 816 CD GLU A 56 -2.073 -20.085 1.887 1.00 2.20 C ATOM 817 OE1 GLU A 56 -1.376 -21.089 1.635 1.00 2.89 O ATOM 818 OE2 GLU A 56 -2.082 -19.533 3.009 1.00 2.66 O ATOM 0 H GLU A 56 -3.360 -16.526 0.424 1.00 0.61 H new ATOM 0 HA GLU A 56 -0.916 -17.806 1.380 1.00 0.69 H new ATOM 0 HB2 GLU A 56 -2.788 -18.286 -0.962 1.00 0.80 H new ATOM 0 HB3 GLU A 56 -1.362 -19.251 -0.641 1.00 0.80 H new ATOM 0 HG2 GLU A 56 -3.735 -18.915 1.217 1.00 1.19 H new ATOM 0 HG3 GLU A 56 -3.399 -20.319 0.224 1.00 1.19 H new ATOM 825 N LYS A 57 -0.866 -15.540 -0.784 1.00 0.46 N ATOM 826 CA LYS A 57 -0.098 -14.772 -1.750 1.00 0.39 C ATOM 827 C LYS A 57 0.823 -13.810 -1.031 1.00 0.32 C ATOM 828 O LYS A 57 0.892 -13.804 0.200 1.00 0.39 O ATOM 829 CB LYS A 57 -1.035 -13.991 -2.669 1.00 0.41 C ATOM 830 CG LYS A 57 -2.374 -14.671 -2.947 1.00 0.56 C ATOM 831 CD LYS A 57 -2.221 -16.014 -3.629 1.00 0.89 C ATOM 832 CE LYS A 57 -1.484 -15.902 -4.947 1.00 1.84 C ATOM 833 NZ LYS A 57 -1.403 -17.210 -5.642 1.00 2.59 N ATOM 0 H LYS A 57 -1.672 -15.045 -0.402 1.00 0.46 H new ATOM 0 HA LYS A 57 0.496 -15.461 -2.349 1.00 0.39 H new ATOM 0 HB2 LYS A 57 -1.225 -13.014 -2.225 1.00 0.41 H new ATOM 0 HB3 LYS A 57 -0.528 -13.817 -3.618 1.00 0.41 H new ATOM 0 HG2 LYS A 57 -2.910 -14.805 -2.007 1.00 0.56 H new ATOM 0 HG3 LYS A 57 -2.984 -14.019 -3.572 1.00 0.56 H new ATOM 0 HD2 LYS A 57 -1.683 -16.696 -2.970 1.00 0.89 H new ATOM 0 HD3 LYS A 57 -3.206 -16.447 -3.801 1.00 0.89 H new ATOM 0 HE2 LYS A 57 -1.991 -15.180 -5.587 1.00 1.84 H new ATOM 0 HE3 LYS A 57 -0.478 -15.521 -4.771 1.00 1.84 H new ATOM 0 HZ1 LYS A 57 -0.892 -17.095 -6.540 1.00 2.59 H new ATOM 0 HZ2 LYS A 57 -0.897 -17.892 -5.041 1.00 2.59 H new ATOM 0 HZ3 LYS A 57 -2.363 -17.562 -5.833 1.00 2.59 H new ATOM 847 N MET A 58 1.537 -13.007 -1.803 1.00 0.27 N ATOM 848 CA MET A 58 2.462 -12.036 -1.249 1.00 0.25 C ATOM 849 C MET A 58 2.300 -10.722 -1.987 1.00 0.23 C ATOM 850 O MET A 58 2.743 -10.590 -3.125 1.00 0.29 O ATOM 851 CB MET A 58 3.900 -12.528 -1.441 1.00 0.29 C ATOM 852 CG MET A 58 3.991 -13.934 -2.031 1.00 0.42 C ATOM 853 SD MET A 58 3.686 -15.236 -0.820 1.00 1.78 S ATOM 854 CE MET A 58 3.835 -16.687 -1.857 1.00 1.53 C ATOM 0 H MET A 58 1.492 -13.010 -2.822 1.00 0.27 H new ATOM 0 HA MET A 58 2.254 -11.904 -0.187 1.00 0.25 H new ATOM 0 HB2 MET A 58 4.429 -11.834 -2.094 1.00 0.29 H new ATOM 0 HB3 MET A 58 4.412 -12.513 -0.479 1.00 0.29 H new ATOM 0 HG2 MET A 58 3.271 -14.027 -2.844 1.00 0.42 H new ATOM 0 HG3 MET A 58 4.981 -14.075 -2.465 1.00 0.42 H new ATOM 0 HE1 MET A 58 3.673 -17.582 -1.256 1.00 1.53 H new ATOM 0 HE2 MET A 58 3.091 -16.644 -2.652 1.00 1.53 H new ATOM 0 HE3 MET A 58 4.832 -16.720 -2.295 1.00 1.53 H new ATOM 864 N MET A 59 1.703 -9.746 -1.336 1.00 0.20 N ATOM 865 CA MET A 59 1.404 -8.478 -1.983 1.00 0.21 C ATOM 866 C MET A 59 1.258 -7.360 -0.961 1.00 0.18 C ATOM 867 O MET A 59 0.793 -7.580 0.155 1.00 0.26 O ATOM 868 CB MET A 59 0.131 -8.567 -2.839 1.00 0.27 C ATOM 869 CG MET A 59 0.318 -9.258 -4.189 1.00 0.64 C ATOM 870 SD MET A 59 -0.093 -11.015 -4.176 1.00 1.30 S ATOM 871 CE MET A 59 -1.872 -10.945 -4.065 1.00 0.62 C ATOM 0 H MET A 59 1.414 -9.803 -0.360 1.00 0.20 H new ATOM 0 HA MET A 59 2.245 -8.250 -2.638 1.00 0.21 H new ATOM 0 HB2 MET A 59 -0.633 -9.102 -2.275 1.00 0.27 H new ATOM 0 HB3 MET A 59 -0.246 -7.559 -3.011 1.00 0.27 H new ATOM 0 HG2 MET A 59 -0.302 -8.756 -4.932 1.00 0.64 H new ATOM 0 HG3 MET A 59 1.354 -9.140 -4.506 1.00 0.64 H new ATOM 0 HE1 MET A 59 -2.301 -11.834 -4.528 1.00 0.62 H new ATOM 0 HE2 MET A 59 -2.170 -10.902 -3.017 1.00 0.62 H new ATOM 0 HE3 MET A 59 -2.234 -10.056 -4.582 1.00 0.62 H new ATOM 881 N LEU A 60 1.663 -6.166 -1.360 1.00 0.12 N ATOM 882 CA LEU A 60 1.494 -4.965 -0.536 1.00 0.10 C ATOM 883 C LEU A 60 0.459 -4.006 -1.137 1.00 0.10 C ATOM 884 O LEU A 60 0.117 -4.095 -2.316 1.00 0.13 O ATOM 885 CB LEU A 60 2.812 -4.209 -0.401 1.00 0.13 C ATOM 886 CG LEU A 60 3.544 -4.364 0.926 1.00 0.11 C ATOM 887 CD1 LEU A 60 4.310 -5.666 1.001 1.00 0.12 C ATOM 888 CD2 LEU A 60 4.490 -3.212 1.122 1.00 0.14 C ATOM 0 H LEU A 60 2.116 -5.995 -2.257 1.00 0.12 H new ATOM 0 HA LEU A 60 1.150 -5.306 0.441 1.00 0.10 H new ATOM 0 HB2 LEU A 60 3.478 -4.536 -1.200 1.00 0.13 H new ATOM 0 HB3 LEU A 60 2.617 -3.149 -0.563 1.00 0.13 H new ATOM 0 HG LEU A 60 2.794 -4.372 1.717 1.00 0.11 H new ATOM 0 HD11 LEU A 60 4.817 -5.735 1.964 1.00 0.12 H new ATOM 0 HD12 LEU A 60 3.618 -6.502 0.894 1.00 0.12 H new ATOM 0 HD13 LEU A 60 5.048 -5.701 0.199 1.00 0.12 H new ATOM 0 HD21 LEU A 60 5.011 -3.327 2.072 1.00 0.14 H new ATOM 0 HD22 LEU A 60 5.216 -3.195 0.309 1.00 0.14 H new ATOM 0 HD23 LEU A 60 3.929 -2.277 1.127 1.00 0.14 H new ATOM 900 N ARG A 61 -0.015 -3.079 -0.309 1.00 0.10 N ATOM 901 CA ARG A 61 -0.903 -1.999 -0.735 1.00 0.11 C ATOM 902 C ARG A 61 -0.779 -0.808 0.211 1.00 0.11 C ATOM 903 O ARG A 61 -1.162 -0.889 1.366 1.00 0.11 O ATOM 904 CB ARG A 61 -2.368 -2.441 -0.800 1.00 0.16 C ATOM 905 CG ARG A 61 -3.275 -1.407 -1.455 1.00 0.32 C ATOM 906 CD ARG A 61 -4.728 -1.843 -1.424 1.00 0.56 C ATOM 907 NE ARG A 61 -5.473 -1.385 -2.596 1.00 1.35 N ATOM 908 CZ ARG A 61 -6.732 -1.742 -2.858 1.00 1.67 C ATOM 909 NH1 ARG A 61 -7.414 -2.476 -1.992 1.00 1.46 N ATOM 910 NH2 ARG A 61 -7.312 -1.356 -3.985 1.00 2.72 N ATOM 0 H ARG A 61 0.208 -3.055 0.686 1.00 0.10 H new ATOM 0 HA ARG A 61 -0.593 -1.713 -1.740 1.00 0.11 H new ATOM 0 HB2 ARG A 61 -2.435 -3.377 -1.354 1.00 0.16 H new ATOM 0 HB3 ARG A 61 -2.726 -2.642 0.210 1.00 0.16 H new ATOM 0 HG2 ARG A 61 -3.170 -0.451 -0.941 1.00 0.32 H new ATOM 0 HG3 ARG A 61 -2.963 -1.250 -2.488 1.00 0.32 H new ATOM 0 HD2 ARG A 61 -4.777 -2.930 -1.368 1.00 0.56 H new ATOM 0 HD3 ARG A 61 -5.201 -1.456 -0.522 1.00 0.56 H new ATOM 0 HE ARG A 61 -5.004 -0.758 -3.250 1.00 1.35 H new ATOM 0 HH11 ARG A 61 -6.977 -2.772 -1.119 1.00 1.46 H new ATOM 0 HH12 ARG A 61 -8.376 -2.746 -2.198 1.00 1.46 H new ATOM 0 HH21 ARG A 61 -6.796 -0.785 -4.654 1.00 2.72 H new ATOM 0 HH22 ARG A 61 -8.274 -1.630 -4.183 1.00 2.72 H new ATOM 924 N LEU A 62 -0.260 0.295 -0.285 1.00 0.11 N ATOM 925 CA LEU A 62 -0.124 1.504 0.517 1.00 0.11 C ATOM 926 C LEU A 62 -1.324 2.427 0.299 1.00 0.15 C ATOM 927 O LEU A 62 -1.513 2.975 -0.778 1.00 0.19 O ATOM 928 CB LEU A 62 1.201 2.226 0.202 1.00 0.12 C ATOM 929 CG LEU A 62 2.444 1.551 0.784 1.00 0.20 C ATOM 930 CD1 LEU A 62 2.805 0.341 -0.041 1.00 0.90 C ATOM 931 CD2 LEU A 62 3.622 2.500 0.847 1.00 0.86 C ATOM 0 H LEU A 62 0.078 0.385 -1.243 1.00 0.11 H new ATOM 0 HA LEU A 62 -0.103 1.220 1.569 1.00 0.11 H new ATOM 0 HB2 LEU A 62 1.314 2.296 -0.880 1.00 0.12 H new ATOM 0 HB3 LEU A 62 1.144 3.246 0.583 1.00 0.12 H new ATOM 0 HG LEU A 62 2.208 1.245 1.803 1.00 0.20 H new ATOM 0 HD11 LEU A 62 3.691 -0.135 0.379 1.00 0.90 H new ATOM 0 HD12 LEU A 62 1.975 -0.366 -0.033 1.00 0.90 H new ATOM 0 HD13 LEU A 62 3.010 0.648 -1.067 1.00 0.90 H new ATOM 0 HD21 LEU A 62 4.485 1.982 1.266 1.00 0.86 H new ATOM 0 HD22 LEU A 62 3.862 2.850 -0.157 1.00 0.86 H new ATOM 0 HD23 LEU A 62 3.369 3.352 1.477 1.00 0.86 H new ATOM 943 N ILE A 63 -2.114 2.594 1.345 1.00 0.17 N ATOM 944 CA ILE A 63 -3.329 3.406 1.318 1.00 0.23 C ATOM 945 C ILE A 63 -2.963 4.854 1.567 1.00 0.21 C ATOM 946 O ILE A 63 -2.344 5.141 2.566 1.00 0.25 O ATOM 947 CB ILE A 63 -4.282 3.006 2.477 1.00 0.30 C ATOM 948 CG1 ILE A 63 -4.236 1.500 2.749 1.00 0.30 C ATOM 949 CG2 ILE A 63 -5.710 3.460 2.207 1.00 0.40 C ATOM 950 CD1 ILE A 63 -4.665 0.651 1.586 1.00 0.33 C ATOM 0 H ILE A 63 -1.931 2.165 2.252 1.00 0.17 H new ATOM 0 HA ILE A 63 -3.807 3.257 0.350 1.00 0.23 H new ATOM 0 HB ILE A 63 -3.929 3.519 3.372 1.00 0.30 H new ATOM 0 HG12 ILE A 63 -3.220 1.224 3.031 1.00 0.30 H new ATOM 0 HG13 ILE A 63 -4.875 1.277 3.603 1.00 0.30 H new ATOM 0 HG21 ILE A 63 -6.349 3.163 3.038 1.00 0.40 H new ATOM 0 HG22 ILE A 63 -5.733 4.545 2.101 1.00 0.40 H new ATOM 0 HG23 ILE A 63 -6.071 2.998 1.288 1.00 0.40 H new ATOM 0 HD11 ILE A 63 -4.603 -0.402 1.862 1.00 0.33 H new ATOM 0 HD12 ILE A 63 -5.692 0.896 1.316 1.00 0.33 H new ATOM 0 HD13 ILE A 63 -4.011 0.842 0.735 1.00 0.33 H new ATOM 962 N GLY A 64 -3.326 5.760 0.676 1.00 0.27 N ATOM 963 CA GLY A 64 -3.042 7.164 0.916 1.00 0.30 C ATOM 964 C GLY A 64 -4.233 7.895 1.486 1.00 0.35 C ATOM 965 O GLY A 64 -5.370 7.564 1.165 1.00 0.48 O ATOM 0 H GLY A 64 -3.807 5.557 -0.200 1.00 0.27 H new ATOM 0 HA2 GLY A 64 -2.201 7.251 1.604 1.00 0.30 H new ATOM 0 HA3 GLY A 64 -2.740 7.637 -0.018 1.00 0.30 H new ATOM 969 N LYS A 65 -3.972 8.881 2.340 1.00 0.30 N ATOM 970 CA LYS A 65 -5.033 9.596 3.035 1.00 0.33 C ATOM 971 C LYS A 65 -6.002 10.241 2.057 1.00 0.38 C ATOM 972 O LYS A 65 -5.596 10.932 1.118 1.00 0.41 O ATOM 973 CB LYS A 65 -4.476 10.684 3.955 1.00 0.34 C ATOM 974 CG LYS A 65 -3.776 10.175 5.207 1.00 0.36 C ATOM 975 CD LYS A 65 -2.269 10.323 5.110 1.00 0.40 C ATOM 976 CE LYS A 65 -1.588 10.073 6.447 1.00 0.43 C ATOM 977 NZ LYS A 65 -2.114 10.959 7.515 1.00 1.15 N ATOM 0 H LYS A 65 -3.031 9.202 2.566 1.00 0.30 H new ATOM 0 HA LYS A 65 -5.559 8.852 3.634 1.00 0.33 H new ATOM 0 HB2 LYS A 65 -3.773 11.294 3.387 1.00 0.34 H new ATOM 0 HB3 LYS A 65 -5.295 11.338 4.256 1.00 0.34 H new ATOM 0 HG2 LYS A 65 -4.140 10.724 6.075 1.00 0.36 H new ATOM 0 HG3 LYS A 65 -4.029 9.126 5.364 1.00 0.36 H new ATOM 0 HD2 LYS A 65 -1.882 9.623 4.369 1.00 0.40 H new ATOM 0 HD3 LYS A 65 -2.024 11.326 4.760 1.00 0.40 H new ATOM 0 HE2 LYS A 65 -1.731 9.032 6.737 1.00 0.43 H new ATOM 0 HE3 LYS A 65 -0.515 10.230 6.342 1.00 0.43 H new ATOM 0 HZ1 LYS A 65 -1.427 11.009 8.294 1.00 1.15 H new ATOM 0 HZ2 LYS A 65 -2.271 11.912 7.130 1.00 1.15 H new ATOM 0 HZ3 LYS A 65 -3.014 10.577 7.871 1.00 1.15 H new ATOM 991 N VAL A 66 -7.281 10.025 2.302 1.00 0.42 N ATOM 992 CA VAL A 66 -8.328 10.621 1.490 1.00 0.51 C ATOM 993 C VAL A 66 -8.688 11.984 2.061 1.00 0.57 C ATOM 994 O VAL A 66 -8.323 12.307 3.194 1.00 0.61 O ATOM 995 CB VAL A 66 -9.580 9.715 1.436 1.00 0.57 C ATOM 996 CG1 VAL A 66 -10.287 9.673 2.781 1.00 0.58 C ATOM 997 CG2 VAL A 66 -10.538 10.145 0.329 1.00 0.69 C ATOM 0 H VAL A 66 -7.622 9.437 3.062 1.00 0.42 H new ATOM 0 HA VAL A 66 -7.959 10.734 0.471 1.00 0.51 H new ATOM 0 HB VAL A 66 -9.240 8.706 1.203 1.00 0.57 H new ATOM 0 HG11 VAL A 66 -11.163 9.028 2.712 1.00 0.58 H new ATOM 0 HG12 VAL A 66 -9.607 9.281 3.537 1.00 0.58 H new ATOM 0 HG13 VAL A 66 -10.599 10.680 3.060 1.00 0.58 H new ATOM 0 HG21 VAL A 66 -11.406 9.485 0.322 1.00 0.69 H new ATOM 0 HG22 VAL A 66 -10.863 11.170 0.507 1.00 0.69 H new ATOM 0 HG23 VAL A 66 -10.031 10.087 -0.634 1.00 0.69 H new ATOM 1294 N GLN A 85 -7.024 6.864 -2.042 1.00 0.51 N ATOM 1295 CA GLN A 85 -6.201 6.384 -3.144 1.00 0.52 C ATOM 1296 C GLN A 85 -5.068 5.508 -2.636 1.00 0.43 C ATOM 1297 O GLN A 85 -4.201 5.947 -1.887 1.00 0.54 O ATOM 1298 CB GLN A 85 -5.689 7.552 -4.005 1.00 0.62 C ATOM 1299 CG GLN A 85 -5.129 8.734 -3.219 1.00 0.85 C ATOM 1300 CD GLN A 85 -3.644 8.625 -2.910 1.00 0.87 C ATOM 1301 OE1 GLN A 85 -2.889 7.998 -3.796 1.00 1.78 O flip ATOM 1302 NE2 GLN A 85 -3.175 9.127 -1.888 1.00 0.97 N flip ATOM 0 HA GLN A 85 -6.824 5.763 -3.788 1.00 0.52 H new ATOM 0 HB2 GLN A 85 -4.913 7.179 -4.673 1.00 0.62 H new ATOM 0 HB3 GLN A 85 -6.506 7.907 -4.633 1.00 0.62 H new ATOM 0 HG2 GLN A 85 -5.306 9.649 -3.784 1.00 0.85 H new ATOM 0 HG3 GLN A 85 -5.678 8.827 -2.282 1.00 0.85 H new ATOM 0 HE21 GLN A 85 -3.788 9.603 -1.226 1.00 0.97 H new ATOM 0 HE22 GLN A 85 -2.174 9.066 -1.703 1.00 0.97 H new ATOM 1311 N ARG A 86 -5.108 4.248 -3.022 1.00 0.31 N ATOM 1312 CA ARG A 86 -4.157 3.276 -2.531 1.00 0.27 C ATOM 1313 C ARG A 86 -3.200 2.844 -3.632 1.00 0.26 C ATOM 1314 O ARG A 86 -3.499 2.962 -4.819 1.00 0.40 O ATOM 1315 CB ARG A 86 -4.914 2.069 -1.981 1.00 0.36 C ATOM 1316 CG ARG A 86 -6.093 2.473 -1.117 1.00 0.72 C ATOM 1317 CD ARG A 86 -7.118 1.364 -0.960 1.00 0.54 C ATOM 1318 NE ARG A 86 -8.046 1.324 -2.092 1.00 1.21 N ATOM 1319 CZ ARG A 86 -9.220 0.692 -2.075 1.00 1.48 C ATOM 1320 NH1 ARG A 86 -9.594 0.003 -1.005 1.00 1.48 N ATOM 1321 NH2 ARG A 86 -10.021 0.753 -3.132 1.00 2.29 N ATOM 0 H ARG A 86 -5.794 3.874 -3.678 1.00 0.31 H new ATOM 0 HA ARG A 86 -3.565 3.730 -1.737 1.00 0.27 H new ATOM 0 HB2 ARG A 86 -5.267 1.456 -2.810 1.00 0.36 H new ATOM 0 HB3 ARG A 86 -4.233 1.451 -1.396 1.00 0.36 H new ATOM 0 HG2 ARG A 86 -5.731 2.768 -0.132 1.00 0.72 H new ATOM 0 HG3 ARG A 86 -6.575 3.347 -1.555 1.00 0.72 H new ATOM 0 HD2 ARG A 86 -6.607 0.405 -0.873 1.00 0.54 H new ATOM 0 HD3 ARG A 86 -7.677 1.512 -0.036 1.00 0.54 H new ATOM 0 HE ARG A 86 -7.777 1.810 -2.947 1.00 1.21 H new ATOM 0 HH11 ARG A 86 -8.983 -0.045 -0.190 1.00 1.48 H new ATOM 0 HH12 ARG A 86 -10.493 -0.479 -0.997 1.00 1.48 H new ATOM 0 HH21 ARG A 86 -9.738 1.283 -3.956 1.00 2.29 H new ATOM 0 HH22 ARG A 86 -10.919 0.270 -3.120 1.00 2.29 H new ATOM 1335 N HIS A 87 -2.048 2.358 -3.218 1.00 0.19 N ATOM 1336 CA HIS A 87 -1.020 1.897 -4.129 1.00 0.18 C ATOM 1337 C HIS A 87 -0.722 0.430 -3.863 1.00 0.15 C ATOM 1338 O HIS A 87 -0.139 0.089 -2.843 1.00 0.14 O ATOM 1339 CB HIS A 87 0.247 2.725 -3.916 1.00 0.21 C ATOM 1340 CG HIS A 87 0.078 4.186 -4.213 1.00 0.28 C ATOM 1341 ND1 HIS A 87 0.198 5.269 -3.410 1.00 0.41 N flip ATOM 1342 CD2 HIS A 87 -0.246 4.672 -5.458 1.00 0.36 C flip ATOM 1343 CE1 HIS A 87 -0.046 6.380 -4.177 1.00 0.50 C flip ATOM 1344 NE2 HIS A 87 -0.313 5.988 -5.409 1.00 0.47 N flip ATOM 0 H HIS A 87 -1.797 2.271 -2.233 1.00 0.19 H new ATOM 0 HA HIS A 87 -1.364 2.011 -5.157 1.00 0.18 H new ATOM 0 HB2 HIS A 87 0.574 2.610 -2.883 1.00 0.21 H new ATOM 0 HB3 HIS A 87 1.040 2.326 -4.548 1.00 0.21 H new ATOM 0 HD2 HIS A 87 -0.419 4.070 -6.338 1.00 0.36 H new ATOM 0 HE1 HIS A 87 -0.023 7.403 -3.831 1.00 0.50 H new ATOM 0 HE2 HIS A 87 -0.534 6.602 -6.193 1.00 0.47 H new ATOM 1353 N MET A 88 -1.086 -0.428 -4.790 1.00 0.16 N ATOM 1354 CA MET A 88 -0.952 -1.867 -4.589 1.00 0.15 C ATOM 1355 C MET A 88 0.073 -2.445 -5.540 1.00 0.20 C ATOM 1356 O MET A 88 -0.027 -2.255 -6.755 1.00 0.30 O ATOM 1357 CB MET A 88 -2.289 -2.585 -4.805 1.00 0.20 C ATOM 1358 CG MET A 88 -2.191 -4.093 -4.613 1.00 0.23 C ATOM 1359 SD MET A 88 -3.693 -4.978 -5.079 1.00 0.32 S ATOM 1360 CE MET A 88 -4.819 -4.493 -3.770 1.00 0.42 C ATOM 0 H MET A 88 -1.478 -0.161 -5.693 1.00 0.16 H new ATOM 0 HA MET A 88 -0.627 -2.021 -3.560 1.00 0.15 H new ATOM 0 HB2 MET A 88 -3.028 -2.183 -4.111 1.00 0.20 H new ATOM 0 HB3 MET A 88 -2.650 -2.375 -5.812 1.00 0.20 H new ATOM 0 HG2 MET A 88 -1.357 -4.473 -5.203 1.00 0.23 H new ATOM 0 HG3 MET A 88 -1.964 -4.304 -3.568 1.00 0.23 H new ATOM 0 HE1 MET A 88 -5.420 -5.351 -3.471 1.00 0.42 H new ATOM 0 HE2 MET A 88 -4.248 -4.133 -2.914 1.00 0.42 H new ATOM 0 HE3 MET A 88 -5.474 -3.699 -4.129 1.00 0.42 H new ATOM 1370 N PHE A 89 1.065 -3.140 -5.001 1.00 0.18 N ATOM 1371 CA PHE A 89 2.012 -3.831 -5.845 1.00 0.28 C ATOM 1372 C PHE A 89 1.947 -5.320 -5.559 1.00 0.31 C ATOM 1373 O PHE A 89 1.647 -5.730 -4.436 1.00 0.43 O ATOM 1374 CB PHE A 89 3.423 -3.304 -5.602 1.00 0.34 C ATOM 1375 CG PHE A 89 3.457 -2.002 -4.855 1.00 0.57 C ATOM 1376 CD1 PHE A 89 3.319 -0.810 -5.533 1.00 0.81 C ATOM 1377 CD2 PHE A 89 3.616 -1.970 -3.483 1.00 0.93 C ATOM 1378 CE1 PHE A 89 3.338 0.386 -4.863 1.00 1.17 C ATOM 1379 CE2 PHE A 89 3.636 -0.770 -2.802 1.00 1.26 C ATOM 1380 CZ PHE A 89 3.541 0.392 -3.462 1.00 1.33 C ATOM 0 H PHE A 89 1.229 -3.236 -3.999 1.00 0.18 H new ATOM 0 HA PHE A 89 1.758 -3.655 -6.890 1.00 0.28 H new ATOM 0 HB2 PHE A 89 3.989 -4.049 -5.043 1.00 0.34 H new ATOM 0 HB3 PHE A 89 3.925 -3.176 -6.561 1.00 0.34 H new ATOM 0 HD1 PHE A 89 3.194 -0.818 -6.606 1.00 0.81 H new ATOM 0 HD2 PHE A 89 3.726 -2.895 -2.937 1.00 0.93 H new ATOM 0 HE1 PHE A 89 3.200 1.314 -5.398 1.00 1.17 H new ATOM 0 HE2 PHE A 89 3.729 -0.768 -1.726 1.00 1.26 H new ATOM 0 HZ PHE A 89 3.619 1.328 -2.928 1.00 1.33 H new ATOM 1390 N SER A 90 2.200 -6.127 -6.567 1.00 0.26 N ATOM 1391 CA SER A 90 2.208 -7.558 -6.392 1.00 0.26 C ATOM 1392 C SER A 90 3.638 -8.043 -6.207 1.00 0.23 C ATOM 1393 O SER A 90 4.511 -7.745 -7.014 1.00 0.24 O ATOM 1394 CB SER A 90 1.543 -8.252 -7.578 1.00 0.28 C ATOM 1395 OG SER A 90 0.224 -7.771 -7.777 1.00 0.94 O ATOM 0 H SER A 90 2.403 -5.813 -7.516 1.00 0.26 H new ATOM 0 HA SER A 90 1.635 -7.810 -5.500 1.00 0.26 H new ATOM 0 HB2 SER A 90 2.134 -8.086 -8.479 1.00 0.28 H new ATOM 0 HB3 SER A 90 1.519 -9.328 -7.407 1.00 0.28 H new ATOM 0 HG SER A 90 -0.179 -8.230 -8.543 1.00 0.94 H new ATOM 1401 N PHE A 91 3.877 -8.777 -5.138 1.00 0.21 N ATOM 1402 CA PHE A 91 5.231 -9.195 -4.794 1.00 0.21 C ATOM 1403 C PHE A 91 5.443 -10.676 -5.078 1.00 0.23 C ATOM 1404 O PHE A 91 4.497 -11.458 -5.102 1.00 0.28 O ATOM 1405 CB PHE A 91 5.495 -8.877 -3.320 1.00 0.30 C ATOM 1406 CG PHE A 91 5.480 -7.398 -3.043 1.00 0.63 C ATOM 1407 CD1 PHE A 91 4.330 -6.644 -3.188 1.00 0.99 C ATOM 1408 CD2 PHE A 91 6.625 -6.764 -2.607 1.00 0.91 C ATOM 1409 CE1 PHE A 91 4.338 -5.290 -2.905 1.00 1.29 C ATOM 1410 CE2 PHE A 91 6.633 -5.422 -2.328 1.00 1.20 C ATOM 1411 CZ PHE A 91 5.416 -4.664 -2.588 1.00 1.33 C ATOM 0 H PHE A 91 3.157 -9.098 -4.491 1.00 0.21 H new ATOM 0 HA PHE A 91 5.939 -8.646 -5.415 1.00 0.21 H new ATOM 0 HB2 PHE A 91 4.741 -9.367 -2.704 1.00 0.30 H new ATOM 0 HB3 PHE A 91 6.461 -9.289 -3.029 1.00 0.30 H new ATOM 0 HD1 PHE A 91 3.419 -7.116 -3.525 1.00 0.99 H new ATOM 0 HD2 PHE A 91 7.533 -7.336 -2.483 1.00 0.91 H new ATOM 0 HE1 PHE A 91 3.409 -4.741 -2.952 1.00 1.29 H new ATOM 0 HE2 PHE A 91 7.514 -4.942 -1.928 1.00 1.20 H new ATOM 0 HZ PHE A 91 5.419 -3.586 -2.515 1.00 1.33 H new ATOM 1421 N ASN A 92 6.696 -11.051 -5.306 1.00 0.31 N ATOM 1422 CA ASN A 92 7.016 -12.391 -5.775 1.00 0.39 C ATOM 1423 C ASN A 92 7.493 -13.267 -4.631 1.00 0.35 C ATOM 1424 O ASN A 92 7.702 -14.467 -4.802 1.00 0.42 O ATOM 1425 CB ASN A 92 8.102 -12.337 -6.856 1.00 0.51 C ATOM 1426 CG ASN A 92 7.684 -11.554 -8.089 1.00 0.80 C ATOM 1427 OD1 ASN A 92 7.070 -12.098 -9.005 1.00 1.53 O ATOM 1428 ND2 ASN A 92 8.027 -10.275 -8.132 1.00 1.27 N ATOM 0 H ASN A 92 7.506 -10.445 -5.173 1.00 0.31 H new ATOM 0 HA ASN A 92 6.106 -12.820 -6.195 1.00 0.39 H new ATOM 0 HB2 ASN A 92 9.001 -11.887 -6.436 1.00 0.51 H new ATOM 0 HB3 ASN A 92 8.362 -13.354 -7.151 1.00 0.51 H new ATOM 0 HD21 ASN A 92 7.782 -9.708 -8.944 1.00 1.27 H new ATOM 0 HD22 ASN A 92 8.536 -9.857 -7.353 1.00 1.27 H new ATOM 1435 N ASN A 93 7.672 -12.669 -3.466 1.00 0.30 N ATOM 1436 CA ASN A 93 8.220 -13.387 -2.331 1.00 0.32 C ATOM 1437 C ASN A 93 7.547 -12.942 -1.041 1.00 0.28 C ATOM 1438 O ASN A 93 7.462 -11.747 -0.750 1.00 0.23 O ATOM 1439 CB ASN A 93 9.726 -13.137 -2.257 1.00 0.37 C ATOM 1440 CG ASN A 93 10.448 -14.056 -1.282 1.00 0.44 C ATOM 1441 OD1 ASN A 93 9.887 -14.492 -0.281 1.00 0.71 O ATOM 1442 ND2 ASN A 93 11.707 -14.343 -1.564 1.00 0.83 N ATOM 0 H ASN A 93 7.446 -11.691 -3.282 1.00 0.30 H new ATOM 0 HA ASN A 93 8.035 -14.454 -2.459 1.00 0.32 H new ATOM 0 HB2 ASN A 93 10.156 -13.264 -3.250 1.00 0.37 H new ATOM 0 HB3 ASN A 93 9.900 -12.102 -1.965 1.00 0.37 H new ATOM 0 HD21 ASN A 93 12.245 -14.945 -0.940 1.00 0.83 H new ATOM 0 HD22 ASN A 93 12.141 -13.963 -2.405 1.00 0.83 H new ATOM 1449 N ARG A 94 7.068 -13.927 -0.285 1.00 0.34 N ATOM 1450 CA ARG A 94 6.402 -13.701 0.992 1.00 0.37 C ATOM 1451 C ARG A 94 7.326 -12.992 1.965 1.00 0.30 C ATOM 1452 O ARG A 94 6.891 -12.168 2.761 1.00 0.27 O ATOM 1453 CB ARG A 94 5.965 -15.040 1.584 1.00 0.57 C ATOM 1454 CG ARG A 94 5.239 -14.924 2.904 1.00 0.90 C ATOM 1455 CD ARG A 94 3.871 -14.318 2.714 1.00 0.71 C ATOM 1456 NE ARG A 94 3.146 -14.213 3.976 1.00 0.99 N ATOM 1457 CZ ARG A 94 1.820 -14.157 4.075 1.00 1.35 C ATOM 1458 NH1 ARG A 94 1.062 -14.144 2.984 1.00 2.16 N ATOM 1459 NH2 ARG A 94 1.250 -14.109 5.269 1.00 1.70 N ATOM 0 H ARG A 94 7.132 -14.911 -0.545 1.00 0.34 H new ATOM 0 HA ARG A 94 5.530 -13.070 0.821 1.00 0.37 H new ATOM 0 HB2 ARG A 94 5.317 -15.547 0.869 1.00 0.57 H new ATOM 0 HB3 ARG A 94 6.845 -15.669 1.720 1.00 0.57 H new ATOM 0 HG2 ARG A 94 5.144 -15.910 3.360 1.00 0.90 H new ATOM 0 HG3 ARG A 94 5.821 -14.310 3.591 1.00 0.90 H new ATOM 0 HD2 ARG A 94 3.970 -13.328 2.268 1.00 0.71 H new ATOM 0 HD3 ARG A 94 3.298 -14.926 2.015 1.00 0.71 H new ATOM 0 HE ARG A 94 3.691 -14.180 4.838 1.00 0.99 H new ATOM 0 HH11 ARG A 94 1.496 -14.177 2.061 1.00 2.16 H new ATOM 0 HH12 ARG A 94 0.046 -14.101 3.069 1.00 2.16 H new ATOM 0 HH21 ARG A 94 1.827 -14.115 6.110 1.00 1.70 H new ATOM 0 HH22 ARG A 94 0.234 -14.066 5.348 1.00 1.70 H new ATOM 1473 N THR A 95 8.602 -13.311 1.877 1.00 0.30 N ATOM 1474 CA THR A 95 9.591 -12.751 2.772 1.00 0.27 C ATOM 1475 C THR A 95 9.877 -11.298 2.414 1.00 0.21 C ATOM 1476 O THR A 95 9.700 -10.406 3.235 1.00 0.18 O ATOM 1477 CB THR A 95 10.894 -13.555 2.718 1.00 0.32 C ATOM 1478 OG1 THR A 95 10.631 -14.939 2.989 1.00 0.40 O ATOM 1479 CG2 THR A 95 11.881 -13.007 3.725 1.00 0.32 C ATOM 0 H THR A 95 8.979 -13.961 1.188 1.00 0.30 H new ATOM 0 HA THR A 95 9.188 -12.799 3.783 1.00 0.27 H new ATOM 0 HB THR A 95 11.322 -13.468 1.719 1.00 0.32 H new ATOM 0 HG1 THR A 95 11.469 -15.445 2.951 1.00 0.40 H new ATOM 0 HG21 THR A 95 12.805 -13.584 3.680 1.00 0.32 H new ATOM 0 HG22 THR A 95 12.094 -11.963 3.495 1.00 0.32 H new ATOM 0 HG23 THR A 95 11.457 -13.079 4.726 1.00 0.32 H new ATOM 1487 N VAL A 96 10.322 -11.083 1.179 1.00 0.23 N ATOM 1488 CA VAL A 96 10.559 -9.742 0.648 1.00 0.21 C ATOM 1489 C VAL A 96 9.417 -8.807 0.977 1.00 0.19 C ATOM 1490 O VAL A 96 9.628 -7.743 1.551 1.00 0.19 O ATOM 1491 CB VAL A 96 10.711 -9.767 -0.885 1.00 0.25 C ATOM 1492 CG1 VAL A 96 10.912 -8.358 -1.426 1.00 0.28 C ATOM 1493 CG2 VAL A 96 11.867 -10.663 -1.296 1.00 0.29 C ATOM 0 H VAL A 96 10.529 -11.832 0.518 1.00 0.23 H new ATOM 0 HA VAL A 96 11.479 -9.388 1.113 1.00 0.21 H new ATOM 0 HB VAL A 96 9.794 -10.173 -1.311 1.00 0.25 H new ATOM 0 HG11 VAL A 96 11.017 -8.396 -2.510 1.00 0.28 H new ATOM 0 HG12 VAL A 96 10.051 -7.742 -1.167 1.00 0.28 H new ATOM 0 HG13 VAL A 96 11.812 -7.925 -0.989 1.00 0.28 H new ATOM 0 HG21 VAL A 96 11.956 -10.666 -2.382 1.00 0.29 H new ATOM 0 HG22 VAL A 96 12.792 -10.288 -0.857 1.00 0.29 H new ATOM 0 HG23 VAL A 96 11.683 -11.678 -0.944 1.00 0.29 H new ATOM 1503 N MET A 97 8.202 -9.203 0.628 1.00 0.19 N ATOM 1504 CA MET A 97 7.060 -8.347 0.849 1.00 0.19 C ATOM 1505 C MET A 97 6.813 -8.160 2.337 1.00 0.17 C ATOM 1506 O MET A 97 6.357 -7.105 2.752 1.00 0.19 O ATOM 1507 CB MET A 97 5.833 -8.901 0.130 1.00 0.21 C ATOM 1508 CG MET A 97 5.173 -10.104 0.787 1.00 0.22 C ATOM 1509 SD MET A 97 3.519 -9.737 1.393 1.00 0.29 S ATOM 1510 CE MET A 97 3.846 -9.375 3.105 1.00 0.17 C ATOM 0 H MET A 97 7.989 -10.102 0.196 1.00 0.19 H new ATOM 0 HA MET A 97 7.268 -7.363 0.429 1.00 0.19 H new ATOM 0 HB2 MET A 97 5.093 -8.105 0.045 1.00 0.21 H new ATOM 0 HB3 MET A 97 6.122 -9.177 -0.884 1.00 0.21 H new ATOM 0 HG2 MET A 97 5.120 -10.922 0.069 1.00 0.22 H new ATOM 0 HG3 MET A 97 5.792 -10.447 1.616 1.00 0.22 H new ATOM 0 HE1 MET A 97 2.935 -9.513 3.687 1.00 0.17 H new ATOM 0 HE2 MET A 97 4.619 -10.047 3.478 1.00 0.17 H new ATOM 0 HE3 MET A 97 4.185 -8.343 3.201 1.00 0.17 H new ATOM 1520 N ASP A 98 7.168 -9.163 3.142 1.00 0.16 N ATOM 1521 CA ASP A 98 7.006 -9.072 4.596 1.00 0.16 C ATOM 1522 C ASP A 98 8.033 -8.109 5.164 1.00 0.15 C ATOM 1523 O ASP A 98 7.840 -7.510 6.220 1.00 0.22 O ATOM 1524 CB ASP A 98 7.157 -10.447 5.245 1.00 0.21 C ATOM 1525 CG ASP A 98 6.959 -10.408 6.745 1.00 0.30 C ATOM 1526 OD1 ASP A 98 5.813 -10.187 7.197 1.00 0.38 O ATOM 1527 OD2 ASP A 98 7.945 -10.613 7.484 1.00 0.39 O ATOM 0 H ASP A 98 7.567 -10.043 2.815 1.00 0.16 H new ATOM 0 HA ASP A 98 6.004 -8.702 4.814 1.00 0.16 H new ATOM 0 HB2 ASP A 98 6.434 -11.134 4.805 1.00 0.21 H new ATOM 0 HB3 ASP A 98 8.148 -10.842 5.023 1.00 0.21 H new ATOM 1532 N ASN A 99 9.113 -7.955 4.428 1.00 0.12 N ATOM 1533 CA ASN A 99 10.171 -7.033 4.789 1.00 0.13 C ATOM 1534 C ASN A 99 9.819 -5.634 4.309 1.00 0.15 C ATOM 1535 O ASN A 99 10.002 -4.651 5.022 1.00 0.24 O ATOM 1536 CB ASN A 99 11.486 -7.489 4.157 1.00 0.22 C ATOM 1537 CG ASN A 99 11.926 -8.851 4.645 1.00 0.71 C ATOM 1538 OD1 ASN A 99 12.482 -9.648 3.746 1.00 1.55 O flip ATOM 1539 ND2 ASN A 99 11.733 -9.203 5.810 1.00 0.50 N flip ATOM 0 H ASN A 99 9.283 -8.466 3.562 1.00 0.12 H new ATOM 0 HA ASN A 99 10.283 -7.017 5.873 1.00 0.13 H new ATOM 0 HB2 ASN A 99 11.374 -7.515 3.073 1.00 0.22 H new ATOM 0 HB3 ASN A 99 12.264 -6.759 4.380 1.00 0.22 H new ATOM 0 HD21 ASN A 99 11.302 -8.559 6.473 1.00 0.50 H new ATOM 0 HD22 ASN A 99 12.005 -10.139 6.112 1.00 0.50 H new ATOM 1546 N ILE A 100 9.308 -5.562 3.091 1.00 0.12 N ATOM 1547 CA ILE A 100 8.850 -4.307 2.510 1.00 0.12 C ATOM 1548 C ILE A 100 7.757 -3.674 3.374 1.00 0.11 C ATOM 1549 O ILE A 100 7.863 -2.505 3.755 1.00 0.13 O ATOM 1550 CB ILE A 100 8.305 -4.528 1.079 1.00 0.11 C ATOM 1551 CG1 ILE A 100 9.418 -4.991 0.144 1.00 0.13 C ATOM 1552 CG2 ILE A 100 7.686 -3.252 0.534 1.00 0.12 C ATOM 1553 CD1 ILE A 100 10.475 -3.940 -0.072 1.00 0.11 C ATOM 0 H ILE A 100 9.198 -6.369 2.477 1.00 0.12 H new ATOM 0 HA ILE A 100 9.707 -3.634 2.466 1.00 0.12 H new ATOM 0 HB ILE A 100 7.538 -5.301 1.132 1.00 0.11 H new ATOM 0 HG12 ILE A 100 9.882 -5.887 0.555 1.00 0.13 H new ATOM 0 HG13 ILE A 100 8.986 -5.268 -0.818 1.00 0.13 H new ATOM 0 HG21 ILE A 100 7.310 -3.431 -0.473 1.00 0.12 H new ATOM 0 HG22 ILE A 100 6.864 -2.942 1.179 1.00 0.12 H new ATOM 0 HG23 ILE A 100 8.440 -2.465 0.505 1.00 0.12 H new ATOM 0 HD11 ILE A 100 11.240 -4.326 -0.745 1.00 0.11 H new ATOM 0 HD12 ILE A 100 10.021 -3.052 -0.511 1.00 0.11 H new ATOM 0 HD13 ILE A 100 10.930 -3.680 0.884 1.00 0.11 H new ATOM 1565 N LYS A 101 6.716 -4.448 3.704 1.00 0.11 N ATOM 1566 CA LYS A 101 5.620 -3.946 4.490 1.00 0.12 C ATOM 1567 C LYS A 101 6.098 -3.465 5.859 1.00 0.11 C ATOM 1568 O LYS A 101 5.636 -2.446 6.365 1.00 0.14 O ATOM 1569 CB LYS A 101 4.573 -5.029 4.683 1.00 0.18 C ATOM 1570 CG LYS A 101 5.167 -6.307 5.177 1.00 0.89 C ATOM 1571 CD LYS A 101 4.161 -7.220 5.854 1.00 0.75 C ATOM 1572 CE LYS A 101 4.329 -7.177 7.359 1.00 0.42 C ATOM 1573 NZ LYS A 101 3.897 -8.444 8.005 1.00 1.11 N ATOM 0 H LYS A 101 6.624 -5.426 3.430 1.00 0.11 H new ATOM 0 HA LYS A 101 5.186 -3.103 3.952 1.00 0.12 H new ATOM 0 HB2 LYS A 101 3.821 -4.682 5.391 1.00 0.18 H new ATOM 0 HB3 LYS A 101 4.061 -5.210 3.738 1.00 0.18 H new ATOM 0 HG2 LYS A 101 5.619 -6.836 4.338 1.00 0.89 H new ATOM 0 HG3 LYS A 101 5.969 -6.078 5.879 1.00 0.89 H new ATOM 0 HD2 LYS A 101 3.149 -6.916 5.587 1.00 0.75 H new ATOM 0 HD3 LYS A 101 4.292 -8.242 5.497 1.00 0.75 H new ATOM 0 HE2 LYS A 101 5.374 -6.985 7.602 1.00 0.42 H new ATOM 0 HE3 LYS A 101 3.750 -6.348 7.765 1.00 0.42 H new ATOM 0 HZ1 LYS A 101 4.153 -8.425 9.013 1.00 1.11 H new ATOM 0 HZ2 LYS A 101 2.866 -8.548 7.911 1.00 1.11 H new ATOM 0 HZ3 LYS A 101 4.369 -9.248 7.543 1.00 1.11 H new ATOM 1587 N MET A 102 7.033 -4.195 6.456 1.00 0.09 N ATOM 1588 CA MET A 102 7.477 -3.884 7.805 1.00 0.09 C ATOM 1589 C MET A 102 8.405 -2.680 7.776 1.00 0.09 C ATOM 1590 O MET A 102 8.558 -1.975 8.767 1.00 0.12 O ATOM 1591 CB MET A 102 8.152 -5.106 8.454 1.00 0.10 C ATOM 1592 CG MET A 102 9.548 -5.423 7.939 1.00 0.16 C ATOM 1593 SD MET A 102 10.855 -4.501 8.770 1.00 0.88 S ATOM 1594 CE MET A 102 10.727 -5.167 10.428 1.00 1.17 C ATOM 0 H MET A 102 7.494 -4.999 6.030 1.00 0.09 H new ATOM 0 HA MET A 102 6.611 -3.633 8.417 1.00 0.09 H new ATOM 0 HB2 MET A 102 8.207 -4.942 9.530 1.00 0.10 H new ATOM 0 HB3 MET A 102 7.517 -5.978 8.297 1.00 0.10 H new ATOM 0 HG2 MET A 102 9.736 -6.490 8.059 1.00 0.16 H new ATOM 0 HG3 MET A 102 9.588 -5.210 6.871 1.00 0.16 H new ATOM 0 HE1 MET A 102 11.690 -5.080 10.931 1.00 1.17 H new ATOM 0 HE2 MET A 102 9.975 -4.610 10.987 1.00 1.17 H new ATOM 0 HE3 MET A 102 10.438 -6.217 10.377 1.00 1.17 H new ATOM 1604 N THR A 103 9.004 -2.446 6.619 1.00 0.08 N ATOM 1605 CA THR A 103 9.816 -1.270 6.401 1.00 0.08 C ATOM 1606 C THR A 103 8.935 -0.035 6.394 1.00 0.08 C ATOM 1607 O THR A 103 9.158 0.917 7.142 1.00 0.09 O ATOM 1608 CB THR A 103 10.559 -1.372 5.057 1.00 0.10 C ATOM 1609 OG1 THR A 103 11.508 -2.445 5.101 1.00 0.15 O ATOM 1610 CG2 THR A 103 11.261 -0.081 4.713 1.00 0.11 C ATOM 0 H THR A 103 8.939 -3.065 5.811 1.00 0.08 H new ATOM 0 HA THR A 103 10.547 -1.197 7.206 1.00 0.08 H new ATOM 0 HB THR A 103 9.819 -1.570 4.281 1.00 0.10 H new ATOM 0 HG1 THR A 103 11.090 -3.265 4.764 1.00 0.15 H new ATOM 0 HG21 THR A 103 11.775 -0.190 3.758 1.00 0.11 H new ATOM 0 HG22 THR A 103 10.529 0.723 4.642 1.00 0.11 H new ATOM 0 HG23 THR A 103 11.987 0.157 5.491 1.00 0.11 H new ATOM 1618 N LEU A 104 7.910 -0.080 5.558 1.00 0.08 N ATOM 1619 CA LEU A 104 7.016 1.045 5.393 1.00 0.09 C ATOM 1620 C LEU A 104 6.238 1.310 6.667 1.00 0.11 C ATOM 1621 O LEU A 104 6.271 2.412 7.192 1.00 0.13 O ATOM 1622 CB LEU A 104 6.028 0.781 4.261 1.00 0.09 C ATOM 1623 CG LEU A 104 6.629 0.503 2.887 1.00 0.09 C ATOM 1624 CD1 LEU A 104 5.675 -0.294 2.033 1.00 0.11 C ATOM 1625 CD2 LEU A 104 6.967 1.785 2.187 1.00 0.11 C ATOM 0 H LEU A 104 7.679 -0.890 4.982 1.00 0.08 H new ATOM 0 HA LEU A 104 7.626 1.917 5.155 1.00 0.09 H new ATOM 0 HB2 LEU A 104 5.407 -0.070 4.541 1.00 0.09 H new ATOM 0 HB3 LEU A 104 5.367 1.643 4.177 1.00 0.09 H new ATOM 0 HG LEU A 104 7.540 -0.076 3.037 1.00 0.09 H new ATOM 0 HD11 LEU A 104 6.127 -0.479 1.058 1.00 0.11 H new ATOM 0 HD12 LEU A 104 5.459 -1.245 2.519 1.00 0.11 H new ATOM 0 HD13 LEU A 104 4.749 0.266 1.903 1.00 0.11 H new ATOM 0 HD21 LEU A 104 7.394 1.564 1.209 1.00 0.11 H new ATOM 0 HD22 LEU A 104 6.063 2.380 2.062 1.00 0.11 H new ATOM 0 HD23 LEU A 104 7.690 2.344 2.781 1.00 0.11 H new ATOM 1637 N GLN A 105 5.524 0.297 7.144 1.00 0.12 N ATOM 1638 CA GLN A 105 4.709 0.424 8.358 1.00 0.18 C ATOM 1639 C GLN A 105 5.493 0.978 9.540 1.00 0.18 C ATOM 1640 O GLN A 105 4.911 1.596 10.427 1.00 0.22 O ATOM 1641 CB GLN A 105 4.091 -0.914 8.751 1.00 0.28 C ATOM 1642 CG GLN A 105 2.961 -1.338 7.842 1.00 0.39 C ATOM 1643 CD GLN A 105 2.361 -2.666 8.221 1.00 0.64 C ATOM 1644 OE1 GLN A 105 1.464 -2.736 9.052 1.00 1.45 O ATOM 1645 NE2 GLN A 105 2.833 -3.725 7.587 1.00 0.99 N ATOM 0 H GLN A 105 5.490 -0.626 6.711 1.00 0.12 H new ATOM 0 HA GLN A 105 3.920 1.135 8.113 1.00 0.18 H new ATOM 0 HB2 GLN A 105 4.865 -1.681 8.740 1.00 0.28 H new ATOM 0 HB3 GLN A 105 3.721 -0.849 9.774 1.00 0.28 H new ATOM 0 HG2 GLN A 105 2.182 -0.576 7.862 1.00 0.39 H new ATOM 0 HG3 GLN A 105 3.328 -1.392 6.817 1.00 0.39 H new ATOM 0 HE21 GLN A 105 3.581 -3.618 6.902 1.00 0.99 H new ATOM 0 HE22 GLN A 105 2.449 -4.649 7.782 1.00 0.99 H new ATOM 1654 N GLN A 106 6.804 0.777 9.553 1.00 0.17 N ATOM 1655 CA GLN A 106 7.627 1.338 10.600 1.00 0.20 C ATOM 1656 C GLN A 106 7.579 2.850 10.506 1.00 0.20 C ATOM 1657 O GLN A 106 7.411 3.549 11.497 1.00 0.36 O ATOM 1658 CB GLN A 106 9.053 0.836 10.472 1.00 0.25 C ATOM 1659 CG GLN A 106 9.343 -0.411 11.288 1.00 0.30 C ATOM 1660 CD GLN A 106 10.782 -0.862 11.160 1.00 0.38 C ATOM 1661 OE1 GLN A 106 11.650 -0.448 11.929 1.00 0.65 O ATOM 1662 NE2 GLN A 106 11.044 -1.718 10.190 1.00 0.47 N ATOM 0 H GLN A 106 7.311 0.234 8.854 1.00 0.17 H new ATOM 0 HA GLN A 106 7.248 1.027 11.574 1.00 0.20 H new ATOM 0 HB2 GLN A 106 9.261 0.628 9.423 1.00 0.25 H new ATOM 0 HB3 GLN A 106 9.735 1.628 10.782 1.00 0.25 H new ATOM 0 HG2 GLN A 106 9.118 -0.216 12.337 1.00 0.30 H new ATOM 0 HG3 GLN A 106 8.683 -1.216 10.964 1.00 0.30 H new ATOM 0 HE21 GLN A 106 10.295 -2.036 9.575 1.00 0.47 H new ATOM 0 HE22 GLN A 106 11.995 -2.061 10.056 1.00 0.47 H new ATOM 1671 N ILE A 107 7.687 3.321 9.279 1.00 0.13 N ATOM 1672 CA ILE A 107 7.585 4.731 8.941 1.00 0.13 C ATOM 1673 C ILE A 107 6.179 5.247 9.191 1.00 0.14 C ATOM 1674 O ILE A 107 5.985 6.331 9.728 1.00 0.17 O ATOM 1675 CB ILE A 107 7.891 4.911 7.446 1.00 0.13 C ATOM 1676 CG1 ILE A 107 9.250 4.296 7.095 1.00 0.13 C ATOM 1677 CG2 ILE A 107 7.822 6.374 7.067 1.00 0.16 C ATOM 1678 CD1 ILE A 107 9.425 3.990 5.625 1.00 0.14 C ATOM 0 H ILE A 107 7.852 2.722 8.470 1.00 0.13 H new ATOM 0 HA ILE A 107 8.292 5.283 9.561 1.00 0.13 H new ATOM 0 HB ILE A 107 7.135 4.383 6.865 1.00 0.13 H new ATOM 0 HG12 ILE A 107 10.039 4.979 7.410 1.00 0.13 H new ATOM 0 HG13 ILE A 107 9.379 3.376 7.665 1.00 0.13 H new ATOM 0 HG21 ILE A 107 8.041 6.485 6.005 1.00 0.16 H new ATOM 0 HG22 ILE A 107 6.822 6.757 7.273 1.00 0.16 H new ATOM 0 HG23 ILE A 107 8.553 6.936 7.649 1.00 0.16 H new ATOM 0 HD11 ILE A 107 10.412 3.558 5.458 1.00 0.14 H new ATOM 0 HD12 ILE A 107 8.660 3.282 5.307 1.00 0.14 H new ATOM 0 HD13 ILE A 107 9.330 4.910 5.048 1.00 0.14 H new ATOM 1690 N ILE A 108 5.196 4.469 8.784 1.00 0.13 N ATOM 1691 CA ILE A 108 3.814 4.894 8.891 1.00 0.17 C ATOM 1692 C ILE A 108 3.399 4.993 10.355 1.00 0.23 C ATOM 1693 O ILE A 108 2.841 6.000 10.773 1.00 0.29 O ATOM 1694 CB ILE A 108 2.885 3.946 8.118 1.00 0.19 C ATOM 1695 CG1 ILE A 108 3.581 3.546 6.813 1.00 0.18 C ATOM 1696 CG2 ILE A 108 1.541 4.613 7.853 1.00 0.26 C ATOM 1697 CD1 ILE A 108 2.660 3.186 5.675 1.00 0.15 C ATOM 0 H ILE A 108 5.327 3.543 8.378 1.00 0.13 H new ATOM 0 HA ILE A 108 3.725 5.884 8.443 1.00 0.17 H new ATOM 0 HB ILE A 108 2.685 3.051 8.707 1.00 0.19 H new ATOM 0 HG12 ILE A 108 4.220 4.369 6.495 1.00 0.18 H new ATOM 0 HG13 ILE A 108 4.233 2.696 7.014 1.00 0.18 H new ATOM 0 HG21 ILE A 108 0.896 3.927 7.304 1.00 0.26 H new ATOM 0 HG22 ILE A 108 1.071 4.873 8.801 1.00 0.26 H new ATOM 0 HG23 ILE A 108 1.693 5.517 7.263 1.00 0.26 H new ATOM 0 HD11 ILE A 108 3.251 2.918 4.799 1.00 0.15 H new ATOM 0 HD12 ILE A 108 2.037 2.340 5.965 1.00 0.15 H new ATOM 0 HD13 ILE A 108 2.025 4.039 5.437 1.00 0.15 H new ATOM 1709 N SER A 109 3.705 3.964 11.134 1.00 0.28 N ATOM 1710 CA SER A 109 3.506 3.999 12.581 1.00 0.37 C ATOM 1711 C SER A 109 4.302 5.155 13.198 1.00 0.37 C ATOM 1712 O SER A 109 3.925 5.715 14.228 1.00 0.43 O ATOM 1713 CB SER A 109 3.935 2.664 13.199 1.00 0.45 C ATOM 1714 OG SER A 109 3.590 2.590 14.571 1.00 1.22 O ATOM 0 H SER A 109 4.095 3.088 10.787 1.00 0.28 H new ATOM 0 HA SER A 109 2.448 4.159 12.790 1.00 0.37 H new ATOM 0 HB2 SER A 109 3.462 1.844 12.659 1.00 0.45 H new ATOM 0 HB3 SER A 109 5.012 2.540 13.087 1.00 0.45 H new ATOM 0 HG SER A 109 3.876 1.726 14.934 1.00 1.22 H new ATOM 1720 N ARG A 110 5.390 5.523 12.532 1.00 0.33 N ATOM 1721 CA ARG A 110 6.223 6.641 12.948 1.00 0.35 C ATOM 1722 C ARG A 110 5.495 7.954 12.716 1.00 0.38 C ATOM 1723 O ARG A 110 5.665 8.916 13.462 1.00 0.48 O ATOM 1724 CB ARG A 110 7.542 6.618 12.170 1.00 0.34 C ATOM 1725 CG ARG A 110 8.640 5.830 12.822 1.00 1.27 C ATOM 1726 CD ARG A 110 9.862 5.820 11.929 1.00 1.25 C ATOM 1727 NE ARG A 110 10.954 5.014 12.467 1.00 2.39 N ATOM 1728 CZ ARG A 110 12.044 4.692 11.770 1.00 2.70 C ATOM 1729 NH1 ARG A 110 12.194 5.138 10.527 1.00 1.97 N ATOM 1730 NH2 ARG A 110 12.978 3.922 12.312 1.00 3.79 N ATOM 0 H ARG A 110 5.718 5.053 11.688 1.00 0.33 H new ATOM 0 HA ARG A 110 6.437 6.550 14.013 1.00 0.35 H new ATOM 0 HB2 ARG A 110 7.356 6.205 11.178 1.00 0.34 H new ATOM 0 HB3 ARG A 110 7.883 7.644 12.029 1.00 0.34 H new ATOM 0 HG2 ARG A 110 8.889 6.266 13.789 1.00 1.27 H new ATOM 0 HG3 ARG A 110 8.306 4.809 13.009 1.00 1.27 H new ATOM 0 HD2 ARG A 110 9.585 5.437 10.947 1.00 1.25 H new ATOM 0 HD3 ARG A 110 10.209 6.843 11.786 1.00 1.25 H new ATOM 0 HE ARG A 110 10.879 4.679 13.428 1.00 2.39 H new ATOM 0 HH11 ARG A 110 11.475 5.727 10.106 1.00 1.97 H new ATOM 0 HH12 ARG A 110 13.028 4.892 9.994 1.00 1.97 H new ATOM 0 HH21 ARG A 110 12.863 3.575 13.264 1.00 3.79 H new ATOM 0 HH22 ARG A 110 13.811 3.677 11.777 1.00 3.79 H new ATOM 1744 N TYR A 111 4.664 7.981 11.684 1.00 0.34 N ATOM 1745 CA TYR A 111 3.928 9.178 11.340 1.00 0.41 C ATOM 1746 C TYR A 111 2.541 9.194 11.970 1.00 0.49 C ATOM 1747 O TYR A 111 1.958 10.258 12.161 1.00 0.60 O ATOM 1748 CB TYR A 111 3.843 9.347 9.830 1.00 0.37 C ATOM 1749 CG TYR A 111 5.096 9.958 9.256 1.00 0.38 C ATOM 1750 CD1 TYR A 111 5.361 11.317 9.380 1.00 0.48 C ATOM 1751 CD2 TYR A 111 6.023 9.169 8.613 1.00 0.34 C ATOM 1752 CE1 TYR A 111 6.522 11.864 8.867 1.00 0.53 C ATOM 1753 CE2 TYR A 111 7.187 9.701 8.099 1.00 0.40 C ATOM 1754 CZ TYR A 111 7.434 11.050 8.227 1.00 0.48 C ATOM 1755 OH TYR A 111 8.592 11.586 7.711 1.00 0.55 O ATOM 0 H TYR A 111 4.486 7.184 11.073 1.00 0.34 H new ATOM 0 HA TYR A 111 4.477 10.026 11.749 1.00 0.41 H new ATOM 0 HB2 TYR A 111 3.668 8.376 9.366 1.00 0.37 H new ATOM 0 HB3 TYR A 111 2.988 9.976 9.584 1.00 0.37 H new ATOM 0 HD1 TYR A 111 4.650 11.954 9.884 1.00 0.48 H new ATOM 0 HD2 TYR A 111 5.835 8.111 8.509 1.00 0.34 H new ATOM 0 HE1 TYR A 111 6.714 12.922 8.966 1.00 0.53 H new ATOM 0 HE2 TYR A 111 7.901 9.063 7.599 1.00 0.40 H new ATOM 0 HH TYR A 111 9.124 10.876 7.294 1.00 0.55 H new ATOM 2059 N PHE B 261 -5.313 -7.465 1.909 1.00 0.48 N ATOM 2060 CA PHE B 261 -4.067 -7.087 2.549 1.00 0.48 C ATOM 2061 C PHE B 261 -4.353 -6.228 3.775 1.00 0.66 C ATOM 2062 O PHE B 261 -5.220 -5.355 3.740 1.00 0.95 O ATOM 2063 CB PHE B 261 -3.175 -6.333 1.561 1.00 0.50 C ATOM 2064 CG PHE B 261 -3.110 -6.969 0.201 1.00 0.46 C ATOM 2065 CD1 PHE B 261 -3.198 -8.343 0.049 1.00 0.44 C ATOM 2066 CD2 PHE B 261 -2.985 -6.185 -0.928 1.00 0.67 C ATOM 2067 CE1 PHE B 261 -3.160 -8.918 -1.203 1.00 0.51 C ATOM 2068 CE2 PHE B 261 -2.950 -6.756 -2.184 1.00 0.75 C ATOM 2069 CZ PHE B 261 -3.039 -8.123 -2.321 1.00 0.62 C ATOM 0 HA PHE B 261 -3.543 -7.988 2.869 1.00 0.48 H new ATOM 0 HB2 PHE B 261 -3.543 -5.312 1.458 1.00 0.50 H new ATOM 0 HB3 PHE B 261 -2.167 -6.268 1.971 1.00 0.50 H new ATOM 0 HD1 PHE B 261 -3.298 -8.971 0.922 1.00 0.44 H new ATOM 0 HD2 PHE B 261 -2.914 -5.112 -0.827 1.00 0.67 H new ATOM 0 HE1 PHE B 261 -3.225 -9.991 -1.307 1.00 0.51 H new ATOM 0 HE2 PHE B 261 -2.853 -6.131 -3.059 1.00 0.75 H new ATOM 0 HZ PHE B 261 -3.014 -8.571 -3.303 1.00 0.62 H new ATOM 2079 N VAL B 262 -3.632 -6.485 4.853 1.00 0.55 N ATOM 2080 CA VAL B 262 -3.858 -5.789 6.113 1.00 0.67 C ATOM 2081 C VAL B 262 -2.554 -5.223 6.657 1.00 0.54 C ATOM 2082 O VAL B 262 -1.470 -5.581 6.189 1.00 0.50 O ATOM 2083 CB VAL B 262 -4.461 -6.732 7.176 1.00 0.84 C ATOM 2084 CG1 VAL B 262 -5.806 -7.276 6.723 1.00 1.37 C ATOM 2085 CG2 VAL B 262 -3.497 -7.868 7.490 1.00 1.14 C ATOM 0 H VAL B 262 -2.881 -7.174 4.883 1.00 0.55 H new ATOM 0 HA VAL B 262 -4.559 -4.980 5.908 1.00 0.67 H new ATOM 0 HB VAL B 262 -4.623 -6.156 8.087 1.00 0.84 H new ATOM 0 HG11 VAL B 262 -6.208 -7.937 7.490 1.00 1.37 H new ATOM 0 HG12 VAL B 262 -6.496 -6.449 6.559 1.00 1.37 H new ATOM 0 HG13 VAL B 262 -5.679 -7.833 5.794 1.00 1.37 H new ATOM 0 HG21 VAL B 262 -3.939 -8.523 8.241 1.00 1.14 H new ATOM 0 HG22 VAL B 262 -3.299 -8.439 6.583 1.00 1.14 H new ATOM 0 HG23 VAL B 262 -2.562 -7.457 7.871 1.00 1.14 H new ATOM 2095 N GLU B 263 -2.662 -4.340 7.636 1.00 0.57 N ATOM 2096 CA GLU B 263 -1.491 -3.831 8.326 1.00 0.55 C ATOM 2097 C GLU B 263 -1.214 -4.664 9.571 1.00 0.56 C ATOM 2098 O GLU B 263 -2.140 -5.112 10.251 1.00 0.62 O ATOM 2099 CB GLU B 263 -1.658 -2.351 8.695 1.00 0.73 C ATOM 2100 CG GLU B 263 -2.913 -2.031 9.487 1.00 1.21 C ATOM 2101 CD GLU B 263 -2.874 -0.644 10.092 1.00 1.73 C ATOM 2102 OE1 GLU B 263 -1.791 -0.222 10.559 1.00 2.24 O ATOM 2103 OE2 GLU B 263 -3.923 0.031 10.111 1.00 2.20 O ATOM 0 H GLU B 263 -3.548 -3.962 7.970 1.00 0.57 H new ATOM 0 HA GLU B 263 -0.639 -3.909 7.650 1.00 0.55 H new ATOM 0 HB2 GLU B 263 -0.790 -2.035 9.273 1.00 0.73 H new ATOM 0 HB3 GLU B 263 -1.663 -1.761 7.779 1.00 0.73 H new ATOM 0 HG2 GLU B 263 -3.783 -2.116 8.835 1.00 1.21 H new ATOM 0 HG3 GLU B 263 -3.036 -2.768 10.281 1.00 1.21 H new