USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 694 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 Single : A 63 GLN : amide:sc= -0.388 K(o=-0.39,f=-2.6!) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -1.13 F(o=-3!,f=-1.1) USER MOD Single : A 69 SER OG : rot 180:sc=-0.00606 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot -50:sc= -0.458 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 GLN : amide:sc= -0.961! C(o=-0.96!,f=-14!) USER MOD Single : B 66 HIS : no HD1:sc= -0.0318 X(o=-0.032,f=0) USER MOD Single : B 67 HIS :FLIP no HD1:sc= -1.89 F(o=-3.9!,f=-1.9) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 74 THR OG1 : rot 180:sc= 0.0332 USER MOD Single : B 81 MET CE :methyl -112:sc=-0.00519 (180deg=-0.201) USER MOD Single : B 87 THR OG1 : rot 73:sc= -0.0483 USER MOD Single : B 92 SER OG : rot 82:sc= -1.61! USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 62 -13.957 2.796 8.642 1.00 18.74 N ATOM 2 CA VAL A 62 -15.390 2.451 8.425 1.00 18.11 C ATOM 3 C VAL A 62 -16.177 3.724 8.110 1.00 17.30 C ATOM 4 O VAL A 62 -17.025 4.145 8.872 1.00 17.26 O ATOM 5 CB VAL A 62 -15.954 1.799 9.688 1.00 18.42 C ATOM 6 CG1 VAL A 62 -15.717 2.718 10.887 1.00 18.58 C ATOM 7 CG2 VAL A 62 -17.457 1.571 9.513 1.00 18.59 C ATOM 0 HA VAL A 62 -15.476 1.756 7.590 1.00 18.11 H new ATOM 0 HB VAL A 62 -15.456 0.844 9.858 1.00 18.42 H new ATOM 0 HG11 VAL A 62 -16.119 2.253 11.787 1.00 18.58 H new ATOM 0 HG12 VAL A 62 -14.647 2.885 11.012 1.00 18.58 H new ATOM 0 HG13 VAL A 62 -16.216 3.672 10.718 1.00 18.58 H new ATOM 0 HG21 VAL A 62 -17.862 1.106 10.412 1.00 18.59 H new ATOM 0 HG22 VAL A 62 -17.953 2.527 9.344 1.00 18.59 H new ATOM 0 HG23 VAL A 62 -17.629 0.917 8.658 1.00 18.59 H new ATOM 19 N GLN A 63 -15.902 4.340 6.993 1.00 16.78 N ATOM 20 CA GLN A 63 -16.633 5.586 6.627 1.00 16.11 C ATOM 21 C GLN A 63 -18.011 5.224 6.071 1.00 15.69 C ATOM 22 O GLN A 63 -18.243 4.113 5.638 1.00 15.68 O ATOM 23 CB GLN A 63 -15.839 6.350 5.565 1.00 16.10 C ATOM 24 CG GLN A 63 -15.629 5.456 4.341 1.00 15.49 C ATOM 25 CD GLN A 63 -16.395 6.034 3.150 1.00 15.09 C ATOM 26 OE1 GLN A 63 -16.695 7.211 3.118 1.00 15.39 O ATOM 27 NE2 GLN A 63 -16.728 5.249 2.161 1.00 14.56 N ATOM 0 H GLN A 63 -15.202 4.034 6.317 1.00 16.78 H new ATOM 0 HA GLN A 63 -16.751 6.211 7.512 1.00 16.11 H new ATOM 0 HB2 GLN A 63 -16.373 7.256 5.279 1.00 16.10 H new ATOM 0 HB3 GLN A 63 -14.876 6.662 5.970 1.00 16.10 H new ATOM 0 HG2 GLN A 63 -14.567 5.387 4.105 1.00 15.49 H new ATOM 0 HG3 GLN A 63 -15.974 4.444 4.553 1.00 15.49 H new ATOM 0 HE21 GLN A 63 -16.476 4.261 2.187 1.00 14.56 H new ATOM 0 HE22 GLN A 63 -17.240 5.624 1.362 1.00 14.56 H new ATOM 36 N LEU A 64 -18.928 6.153 6.076 1.00 15.49 N ATOM 37 CA LEU A 64 -20.288 5.856 5.545 1.00 15.26 C ATOM 38 C LEU A 64 -20.588 6.787 4.368 1.00 14.77 C ATOM 39 O LEU A 64 -20.145 7.917 4.331 1.00 14.94 O ATOM 40 CB LEU A 64 -21.327 6.074 6.647 1.00 15.58 C ATOM 41 CG LEU A 64 -21.592 4.751 7.366 1.00 15.97 C ATOM 42 CD1 LEU A 64 -21.446 4.950 8.876 1.00 16.71 C ATOM 43 CD2 LEU A 64 -23.011 4.276 7.051 1.00 16.05 C ATOM 0 H LEU A 64 -18.794 7.102 6.424 1.00 15.49 H new ATOM 0 HA LEU A 64 -20.329 4.820 5.210 1.00 15.26 H new ATOM 0 HB2 LEU A 64 -20.969 6.820 7.356 1.00 15.58 H new ATOM 0 HB3 LEU A 64 -22.252 6.459 6.218 1.00 15.58 H new ATOM 0 HG LEU A 64 -20.873 4.005 7.027 1.00 15.97 H new ATOM 0 HD11 LEU A 64 -21.635 4.006 9.387 1.00 16.71 H new ATOM 0 HD12 LEU A 64 -20.435 5.289 9.102 1.00 16.71 H new ATOM 0 HD13 LEU A 64 -22.164 5.697 9.216 1.00 16.71 H new ATOM 0 HD21 LEU A 64 -23.201 3.333 7.563 1.00 16.05 H new ATOM 0 HD22 LEU A 64 -23.728 5.024 7.389 1.00 16.05 H new ATOM 0 HD23 LEU A 64 -23.116 4.133 5.976 1.00 16.05 H new ATOM 55 N ALA A 65 -21.342 6.322 3.406 1.00 14.32 N ATOM 56 CA ALA A 65 -21.672 7.181 2.232 1.00 14.03 C ATOM 57 C ALA A 65 -22.169 6.302 1.080 1.00 13.34 C ATOM 58 O ALA A 65 -22.867 6.758 0.198 1.00 13.29 O ATOM 59 CB ALA A 65 -20.423 7.946 1.786 1.00 14.31 C ATOM 0 H ALA A 65 -21.743 5.384 3.383 1.00 14.32 H new ATOM 0 HA ALA A 65 -22.450 7.891 2.512 1.00 14.03 H new ATOM 0 HB1 ALA A 65 -20.667 8.573 0.928 1.00 14.31 H new ATOM 0 HB2 ALA A 65 -20.069 8.573 2.604 1.00 14.31 H new ATOM 0 HB3 ALA A 65 -19.643 7.238 1.508 1.00 14.31 H new ATOM 65 N HIS A 66 -21.813 5.045 1.081 1.00 12.98 N ATOM 66 CA HIS A 66 -22.266 4.142 -0.016 1.00 12.48 C ATOM 67 C HIS A 66 -23.134 3.025 0.568 1.00 11.62 C ATOM 68 O HIS A 66 -22.819 2.451 1.591 1.00 11.76 O ATOM 69 CB HIS A 66 -21.048 3.529 -0.707 1.00 12.81 C ATOM 70 CG HIS A 66 -20.555 4.459 -1.781 1.00 13.36 C ATOM 71 ND1 HIS A 66 -19.687 5.506 -1.511 1.00 13.57 N ATOM 72 CD2 HIS A 66 -20.796 4.511 -3.132 1.00 13.93 C ATOM 73 CE1 HIS A 66 -19.439 6.138 -2.672 1.00 14.23 C ATOM 74 NE2 HIS A 66 -20.090 5.571 -3.693 1.00 14.47 N ATOM 0 H HIS A 66 -21.229 4.605 1.793 1.00 12.98 H new ATOM 0 HA HIS A 66 -22.847 4.714 -0.740 1.00 12.48 H new ATOM 0 HB2 HIS A 66 -20.258 3.347 0.021 1.00 12.81 H new ATOM 0 HB3 HIS A 66 -21.311 2.564 -1.140 1.00 12.81 H new ATOM 0 HD2 HIS A 66 -21.436 3.832 -3.676 1.00 13.93 H new ATOM 0 HE1 HIS A 66 -18.793 6.998 -2.768 1.00 14.23 H new ATOM 0 HE2 HIS A 66 -20.073 5.854 -4.673 1.00 14.47 H new ATOM 82 N HIS A 67 -24.223 2.710 -0.078 1.00 10.90 N ATOM 83 CA HIS A 67 -25.109 1.629 0.436 1.00 10.21 C ATOM 84 C HIS A 67 -25.351 0.603 -0.673 1.00 9.43 C ATOM 85 O HIS A 67 -26.423 0.045 -0.793 1.00 9.32 O ATOM 86 CB HIS A 67 -26.447 2.231 0.872 1.00 10.37 C ATOM 87 CG HIS A 67 -26.209 3.562 1.530 1.00 10.53 C ATOM 88 ND1 HIS A 67 -25.645 4.727 1.069 1.00 10.58 N flip ATOM 89 CD2 HIS A 67 -26.575 3.815 2.842 1.00 10.88 C flip ATOM 90 CE1 HIS A 67 -25.661 5.686 2.077 1.00 10.97 C flip ATOM 91 NE2 HIS A 67 -26.232 5.085 3.123 1.00 11.15 N flip ATOM 0 H HIS A 67 -24.537 3.155 -0.940 1.00 10.90 H new ATOM 0 HA HIS A 67 -24.634 1.142 1.288 1.00 10.21 H new ATOM 0 HB2 HIS A 67 -27.102 2.352 0.009 1.00 10.37 H new ATOM 0 HB3 HIS A 67 -26.953 1.557 1.563 1.00 10.37 H new ATOM 0 HD2 HIS A 67 -27.050 3.119 3.517 1.00 10.88 H new ATOM 0 HE1 HIS A 67 -25.291 6.699 2.024 1.00 10.97 H new ATOM 0 HE2 HIS A 67 -26.389 5.534 4.025 1.00 11.15 H new ATOM 99 N PHE A 68 -24.362 0.354 -1.488 1.00 9.11 N ATOM 100 CA PHE A 68 -24.536 -0.633 -2.592 1.00 8.55 C ATOM 101 C PHE A 68 -23.893 -1.967 -2.195 1.00 7.46 C ATOM 102 O PHE A 68 -22.705 -2.163 -2.355 1.00 7.39 O ATOM 103 CB PHE A 68 -23.859 -0.102 -3.858 1.00 8.98 C ATOM 104 CG PHE A 68 -24.746 0.934 -4.508 1.00 9.76 C ATOM 105 CD1 PHE A 68 -25.935 0.543 -5.134 1.00 10.19 C ATOM 106 CD2 PHE A 68 -24.376 2.284 -4.485 1.00 10.29 C ATOM 107 CE1 PHE A 68 -26.755 1.503 -5.738 1.00 11.10 C ATOM 108 CE2 PHE A 68 -25.197 3.244 -5.089 1.00 11.19 C ATOM 109 CZ PHE A 68 -26.387 2.853 -5.716 1.00 11.57 C ATOM 0 H PHE A 68 -23.442 0.791 -1.437 1.00 9.11 H new ATOM 0 HA PHE A 68 -25.599 -0.784 -2.779 1.00 8.55 H new ATOM 0 HB2 PHE A 68 -22.892 0.336 -3.610 1.00 8.98 H new ATOM 0 HB3 PHE A 68 -23.669 -0.921 -4.552 1.00 8.98 H new ATOM 0 HD1 PHE A 68 -26.220 -0.499 -5.151 1.00 10.19 H new ATOM 0 HD2 PHE A 68 -23.458 2.585 -4.002 1.00 10.29 H new ATOM 0 HE1 PHE A 68 -27.673 1.202 -6.221 1.00 11.10 H new ATOM 0 HE2 PHE A 68 -24.913 4.286 -5.071 1.00 11.19 H new ATOM 0 HZ PHE A 68 -27.020 3.593 -6.182 1.00 11.57 H new ATOM 119 N SER A 69 -24.668 -2.886 -1.681 1.00 6.86 N ATOM 120 CA SER A 69 -24.096 -4.202 -1.280 1.00 6.01 C ATOM 121 C SER A 69 -23.207 -4.022 -0.047 1.00 5.07 C ATOM 122 O SER A 69 -23.248 -3.006 0.616 1.00 5.28 O ATOM 123 CB SER A 69 -23.264 -4.771 -2.429 1.00 6.54 C ATOM 124 OG SER A 69 -23.989 -4.638 -3.645 1.00 7.08 O ATOM 0 H SER A 69 -25.670 -2.781 -1.522 1.00 6.86 H new ATOM 0 HA SER A 69 -24.908 -4.890 -1.044 1.00 6.01 H new ATOM 0 HB2 SER A 69 -22.313 -4.244 -2.500 1.00 6.54 H new ATOM 0 HB3 SER A 69 -23.034 -5.820 -2.242 1.00 6.54 H new ATOM 0 HG SER A 69 -23.457 -5.000 -4.384 1.00 7.08 H new ATOM 130 N GLU A 70 -22.403 -5.003 0.263 1.00 4.41 N ATOM 131 CA GLU A 70 -21.511 -4.891 1.452 1.00 3.84 C ATOM 132 C GLU A 70 -20.179 -4.262 1.029 1.00 2.84 C ATOM 133 O GLU A 70 -19.765 -4.398 -0.106 1.00 3.00 O ATOM 134 CB GLU A 70 -21.256 -6.283 2.034 1.00 4.55 C ATOM 135 CG GLU A 70 -20.381 -7.087 1.070 1.00 5.41 C ATOM 136 CD GLU A 70 -20.864 -8.538 1.029 1.00 6.00 C ATOM 137 OE1 GLU A 70 -21.905 -8.777 0.438 1.00 6.28 O ATOM 138 OE2 GLU A 70 -20.186 -9.384 1.587 1.00 6.49 O ATOM 0 H GLU A 70 -22.326 -5.878 -0.256 1.00 4.41 H new ATOM 0 HA GLU A 70 -21.987 -4.265 2.207 1.00 3.84 H new ATOM 0 HB2 GLU A 70 -20.765 -6.199 3.004 1.00 4.55 H new ATOM 0 HB3 GLU A 70 -22.202 -6.799 2.199 1.00 4.55 H new ATOM 0 HG2 GLU A 70 -20.425 -6.650 0.072 1.00 5.41 H new ATOM 0 HG3 GLU A 70 -19.340 -7.048 1.390 1.00 5.41 H new ATOM 145 N PRO A 71 -19.548 -3.588 1.958 1.00 2.18 N ATOM 146 CA PRO A 71 -18.257 -2.922 1.707 1.00 1.51 C ATOM 147 C PRO A 71 -17.172 -3.952 1.374 1.00 1.23 C ATOM 148 O PRO A 71 -16.144 -4.012 2.019 1.00 1.13 O ATOM 149 CB PRO A 71 -17.925 -2.203 3.023 1.00 1.87 C ATOM 150 CG PRO A 71 -19.044 -2.541 4.041 1.00 2.49 C ATOM 151 CD PRO A 71 -20.070 -3.435 3.327 1.00 2.65 C ATOM 0 HA PRO A 71 -18.308 -2.237 0.861 1.00 1.51 H new ATOM 0 HB2 PRO A 71 -16.955 -2.525 3.401 1.00 1.87 H new ATOM 0 HB3 PRO A 71 -17.864 -1.126 2.865 1.00 1.87 H new ATOM 0 HG2 PRO A 71 -18.629 -3.053 4.909 1.00 2.49 H new ATOM 0 HG3 PRO A 71 -19.518 -1.630 4.405 1.00 2.49 H new ATOM 0 HD2 PRO A 71 -20.167 -4.400 3.824 1.00 2.65 H new ATOM 0 HD3 PRO A 71 -21.059 -2.977 3.324 1.00 2.65 H new ATOM 159 N GLU A 72 -17.385 -4.756 0.367 1.00 1.29 N ATOM 160 CA GLU A 72 -16.357 -5.769 -0.002 1.00 1.13 C ATOM 161 C GLU A 72 -15.178 -5.058 -0.663 1.00 1.00 C ATOM 162 O GLU A 72 -14.121 -4.916 -0.079 1.00 0.97 O ATOM 163 CB GLU A 72 -16.959 -6.785 -0.975 1.00 1.32 C ATOM 164 CG GLU A 72 -16.081 -8.038 -1.011 1.00 1.94 C ATOM 165 CD GLU A 72 -16.339 -8.807 -2.307 1.00 2.47 C ATOM 166 OE1 GLU A 72 -16.173 -8.221 -3.364 1.00 2.89 O ATOM 167 OE2 GLU A 72 -16.697 -9.970 -2.221 1.00 3.01 O ATOM 0 H GLU A 72 -18.224 -4.755 -0.214 1.00 1.29 H new ATOM 0 HA GLU A 72 -16.018 -6.293 0.892 1.00 1.13 H new ATOM 0 HB2 GLU A 72 -17.971 -7.046 -0.665 1.00 1.32 H new ATOM 0 HB3 GLU A 72 -17.033 -6.351 -1.972 1.00 1.32 H new ATOM 0 HG2 GLU A 72 -15.029 -7.760 -0.945 1.00 1.94 H new ATOM 0 HG3 GLU A 72 -16.298 -8.671 -0.151 1.00 1.94 H new ATOM 174 N ILE A 73 -15.348 -4.600 -1.873 1.00 0.99 N ATOM 175 CA ILE A 73 -14.238 -3.893 -2.553 1.00 0.91 C ATOM 176 C ILE A 73 -13.791 -2.723 -1.675 1.00 0.80 C ATOM 177 O ILE A 73 -12.656 -2.293 -1.724 1.00 0.74 O ATOM 178 CB ILE A 73 -14.721 -3.386 -3.916 1.00 1.03 C ATOM 179 CG1 ILE A 73 -13.509 -3.122 -4.802 1.00 1.05 C ATOM 180 CG2 ILE A 73 -15.524 -2.092 -3.745 1.00 1.28 C ATOM 181 CD1 ILE A 73 -13.152 -4.396 -5.571 1.00 1.48 C ATOM 0 H ILE A 73 -16.207 -4.687 -2.415 1.00 0.99 H new ATOM 0 HA ILE A 73 -13.396 -4.567 -2.710 1.00 0.91 H new ATOM 0 HB ILE A 73 -15.363 -4.138 -4.376 1.00 1.03 H new ATOM 0 HG12 ILE A 73 -13.724 -2.312 -5.499 1.00 1.05 H new ATOM 0 HG13 ILE A 73 -12.663 -2.803 -4.193 1.00 1.05 H new ATOM 0 HG21 ILE A 73 -15.862 -1.742 -4.720 1.00 1.28 H new ATOM 0 HG22 ILE A 73 -16.388 -2.282 -3.108 1.00 1.28 H new ATOM 0 HG23 ILE A 73 -14.894 -1.331 -3.284 1.00 1.28 H new ATOM 0 HD11 ILE A 73 -12.285 -4.208 -6.205 1.00 1.48 H new ATOM 0 HD12 ILE A 73 -12.919 -5.194 -4.866 1.00 1.48 H new ATOM 0 HD13 ILE A 73 -13.997 -4.695 -6.191 1.00 1.48 H new ATOM 193 N THR A 74 -14.677 -2.213 -0.861 1.00 0.81 N ATOM 194 CA THR A 74 -14.303 -1.083 0.031 1.00 0.76 C ATOM 195 C THR A 74 -13.273 -1.579 1.046 1.00 0.68 C ATOM 196 O THR A 74 -12.257 -0.953 1.269 1.00 0.62 O ATOM 197 CB THR A 74 -15.546 -0.570 0.764 1.00 0.86 C ATOM 198 OG1 THR A 74 -16.440 0.010 -0.176 1.00 1.35 O ATOM 199 CG2 THR A 74 -15.134 0.480 1.795 1.00 1.19 C ATOM 0 H THR A 74 -15.642 -2.532 -0.777 1.00 0.81 H new ATOM 0 HA THR A 74 -13.880 -0.269 -0.558 1.00 0.76 H new ATOM 0 HB THR A 74 -16.039 -1.399 1.272 1.00 0.86 H new ATOM 0 HG1 THR A 74 -17.237 0.338 0.290 1.00 1.35 H new ATOM 0 HG21 THR A 74 -16.019 0.845 2.316 1.00 1.19 H new ATOM 0 HG22 THR A 74 -14.447 0.034 2.514 1.00 1.19 H new ATOM 0 HG23 THR A 74 -14.642 1.311 1.291 1.00 1.19 H new ATOM 207 N LEU A 75 -13.522 -2.708 1.655 1.00 0.72 N ATOM 208 CA LEU A 75 -12.542 -3.242 2.646 1.00 0.69 C ATOM 209 C LEU A 75 -11.252 -3.603 1.917 1.00 0.58 C ATOM 210 O LEU A 75 -10.171 -3.255 2.349 1.00 0.50 O ATOM 211 CB LEU A 75 -13.095 -4.499 3.334 1.00 0.82 C ATOM 212 CG LEU A 75 -13.649 -4.156 4.722 1.00 0.88 C ATOM 213 CD1 LEU A 75 -13.843 -5.449 5.514 1.00 0.87 C ATOM 214 CD2 LEU A 75 -12.668 -3.253 5.474 1.00 1.02 C ATOM 0 H LEU A 75 -14.354 -3.280 1.511 1.00 0.72 H new ATOM 0 HA LEU A 75 -12.356 -2.481 3.404 1.00 0.69 H new ATOM 0 HB2 LEU A 75 -13.882 -4.939 2.721 1.00 0.82 H new ATOM 0 HB3 LEU A 75 -12.307 -5.246 3.426 1.00 0.82 H new ATOM 0 HG LEU A 75 -14.600 -3.635 4.609 1.00 0.88 H new ATOM 0 HD11 LEU A 75 -14.237 -5.214 6.503 1.00 0.87 H new ATOM 0 HD12 LEU A 75 -14.545 -6.096 4.988 1.00 0.87 H new ATOM 0 HD13 LEU A 75 -12.886 -5.960 5.617 1.00 0.87 H new ATOM 0 HD21 LEU A 75 -13.072 -3.016 6.458 1.00 1.02 H new ATOM 0 HD22 LEU A 75 -11.714 -3.768 5.588 1.00 1.02 H new ATOM 0 HD23 LEU A 75 -12.518 -2.331 4.912 1.00 1.02 H new ATOM 226 N ILE A 76 -11.345 -4.294 0.814 1.00 0.62 N ATOM 227 CA ILE A 76 -10.101 -4.654 0.085 1.00 0.57 C ATOM 228 C ILE A 76 -9.347 -3.365 -0.235 1.00 0.45 C ATOM 229 O ILE A 76 -8.162 -3.249 0.012 1.00 0.38 O ATOM 230 CB ILE A 76 -10.459 -5.378 -1.217 1.00 0.69 C ATOM 231 CG1 ILE A 76 -10.898 -6.809 -0.905 1.00 0.91 C ATOM 232 CG2 ILE A 76 -9.237 -5.415 -2.138 1.00 0.76 C ATOM 233 CD1 ILE A 76 -11.294 -7.510 -2.207 1.00 1.10 C ATOM 0 H ILE A 76 -12.215 -4.620 0.393 1.00 0.62 H new ATOM 0 HA ILE A 76 -9.482 -5.312 0.695 1.00 0.57 H new ATOM 0 HB ILE A 76 -11.272 -4.846 -1.711 1.00 0.69 H new ATOM 0 HG12 ILE A 76 -10.089 -7.352 -0.417 1.00 0.91 H new ATOM 0 HG13 ILE A 76 -11.739 -6.801 -0.212 1.00 0.91 H new ATOM 0 HG21 ILE A 76 -9.494 -5.930 -3.063 1.00 0.76 H new ATOM 0 HG22 ILE A 76 -8.922 -4.397 -2.365 1.00 0.76 H new ATOM 0 HG23 ILE A 76 -8.423 -5.944 -1.642 1.00 0.76 H new ATOM 0 HD11 ILE A 76 -11.608 -8.531 -1.990 1.00 1.10 H new ATOM 0 HD12 ILE A 76 -12.116 -6.970 -2.676 1.00 1.10 H new ATOM 0 HD13 ILE A 76 -10.440 -7.529 -2.884 1.00 1.10 H new ATOM 245 N ILE A 77 -10.030 -2.382 -0.757 1.00 0.44 N ATOM 246 CA ILE A 77 -9.352 -1.091 -1.059 1.00 0.36 C ATOM 247 C ILE A 77 -8.735 -0.541 0.233 1.00 0.28 C ATOM 248 O ILE A 77 -7.594 -0.126 0.260 1.00 0.25 O ATOM 249 CB ILE A 77 -10.381 -0.096 -1.625 1.00 0.39 C ATOM 250 CG1 ILE A 77 -10.495 -0.295 -3.138 1.00 1.21 C ATOM 251 CG2 ILE A 77 -9.944 1.347 -1.342 1.00 1.18 C ATOM 252 CD1 ILE A 77 -9.236 0.244 -3.821 1.00 1.58 C ATOM 0 H ILE A 77 -11.023 -2.417 -0.986 1.00 0.44 H new ATOM 0 HA ILE A 77 -8.565 -1.242 -1.798 1.00 0.36 H new ATOM 0 HB ILE A 77 -11.344 -0.276 -1.147 1.00 0.39 H new ATOM 0 HG12 ILE A 77 -10.621 -1.353 -3.368 1.00 1.21 H new ATOM 0 HG13 ILE A 77 -11.377 0.221 -3.518 1.00 1.21 H new ATOM 0 HG21 ILE A 77 -10.683 2.037 -1.749 1.00 1.18 H new ATOM 0 HG22 ILE A 77 -9.861 1.498 -0.266 1.00 1.18 H new ATOM 0 HG23 ILE A 77 -8.977 1.533 -1.810 1.00 1.18 H new ATOM 0 HD11 ILE A 77 -9.318 0.102 -4.899 1.00 1.58 H new ATOM 0 HD12 ILE A 77 -9.130 1.306 -3.602 1.00 1.58 H new ATOM 0 HD13 ILE A 77 -8.363 -0.292 -3.450 1.00 1.58 H new ATOM 264 N PHE A 78 -9.491 -0.525 1.302 1.00 0.31 N ATOM 265 CA PHE A 78 -8.950 0.011 2.586 1.00 0.32 C ATOM 266 C PHE A 78 -7.692 -0.762 2.986 1.00 0.30 C ATOM 267 O PHE A 78 -6.680 -0.182 3.326 1.00 0.30 O ATOM 268 CB PHE A 78 -9.999 -0.135 3.695 1.00 0.41 C ATOM 269 CG PHE A 78 -10.643 1.205 3.961 1.00 0.80 C ATOM 270 CD1 PHE A 78 -11.709 1.640 3.165 1.00 1.66 C ATOM 271 CD2 PHE A 78 -10.176 2.010 5.007 1.00 1.52 C ATOM 272 CE1 PHE A 78 -12.307 2.881 3.413 1.00 2.09 C ATOM 273 CE2 PHE A 78 -10.773 3.251 5.256 1.00 1.97 C ATOM 274 CZ PHE A 78 -11.838 3.687 4.459 1.00 1.95 C ATOM 0 H PHE A 78 -10.454 -0.858 1.340 1.00 0.31 H new ATOM 0 HA PHE A 78 -8.704 1.064 2.449 1.00 0.32 H new ATOM 0 HB2 PHE A 78 -10.756 -0.862 3.400 1.00 0.41 H new ATOM 0 HB3 PHE A 78 -9.532 -0.512 4.605 1.00 0.41 H new ATOM 0 HD1 PHE A 78 -12.070 1.018 2.359 1.00 1.66 H new ATOM 0 HD2 PHE A 78 -9.355 1.673 5.622 1.00 1.52 H new ATOM 0 HE1 PHE A 78 -13.129 3.217 2.799 1.00 2.09 H new ATOM 0 HE2 PHE A 78 -10.412 3.872 6.063 1.00 1.97 H new ATOM 0 HZ PHE A 78 -12.298 4.645 4.650 1.00 1.95 H new ATOM 284 N GLY A 79 -7.744 -2.065 2.945 1.00 0.31 N ATOM 285 CA GLY A 79 -6.545 -2.862 3.319 1.00 0.32 C ATOM 286 C GLY A 79 -5.371 -2.459 2.430 1.00 0.26 C ATOM 287 O GLY A 79 -4.275 -2.217 2.896 1.00 0.26 O ATOM 0 H GLY A 79 -8.562 -2.609 2.670 1.00 0.31 H new ATOM 0 HA2 GLY A 79 -6.296 -2.695 4.367 1.00 0.32 H new ATOM 0 HA3 GLY A 79 -6.752 -3.926 3.206 1.00 0.32 H new ATOM 291 N VAL A 80 -5.595 -2.384 1.147 1.00 0.23 N ATOM 292 CA VAL A 80 -4.494 -1.997 0.226 1.00 0.22 C ATOM 293 C VAL A 80 -3.947 -0.632 0.645 1.00 0.21 C ATOM 294 O VAL A 80 -2.752 -0.441 0.763 1.00 0.22 O ATOM 295 CB VAL A 80 -5.033 -1.931 -1.206 1.00 0.24 C ATOM 296 CG1 VAL A 80 -3.885 -1.642 -2.173 1.00 0.28 C ATOM 297 CG2 VAL A 80 -5.678 -3.273 -1.566 1.00 0.28 C ATOM 0 H VAL A 80 -6.491 -2.574 0.699 1.00 0.23 H new ATOM 0 HA VAL A 80 -3.692 -2.734 0.271 1.00 0.22 H new ATOM 0 HB VAL A 80 -5.775 -1.136 -1.279 1.00 0.24 H new ATOM 0 HG11 VAL A 80 -4.270 -1.595 -3.192 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -3.424 -0.689 -1.916 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -3.141 -2.436 -2.102 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -6.063 -3.230 -2.585 1.00 0.28 H new ATOM 0 HG22 VAL A 80 -4.934 -4.066 -1.493 1.00 0.28 H new ATOM 0 HG23 VAL A 80 -6.497 -3.479 -0.877 1.00 0.28 H new ATOM 307 N MET A 81 -4.812 0.316 0.887 1.00 0.22 N ATOM 308 CA MET A 81 -4.338 1.660 1.317 1.00 0.25 C ATOM 309 C MET A 81 -3.503 1.509 2.588 1.00 0.27 C ATOM 310 O MET A 81 -2.420 2.048 2.704 1.00 0.28 O ATOM 311 CB MET A 81 -5.541 2.563 1.603 1.00 0.29 C ATOM 312 CG MET A 81 -6.287 2.852 0.299 1.00 0.36 C ATOM 313 SD MET A 81 -7.986 3.350 0.675 1.00 1.07 S ATOM 314 CE MET A 81 -7.762 5.129 0.425 1.00 1.70 C ATOM 0 H MET A 81 -5.824 0.217 0.805 1.00 0.22 H new ATOM 0 HA MET A 81 -3.734 2.106 0.527 1.00 0.25 H new ATOM 0 HB2 MET A 81 -6.209 2.081 2.317 1.00 0.29 H new ATOM 0 HB3 MET A 81 -5.208 3.496 2.058 1.00 0.29 H new ATOM 0 HG2 MET A 81 -5.780 3.641 -0.256 1.00 0.36 H new ATOM 0 HG3 MET A 81 -6.288 1.966 -0.336 1.00 0.36 H new ATOM 0 HE1 MET A 81 -8.705 5.644 0.608 1.00 1.70 H new ATOM 0 HE2 MET A 81 -7.006 5.501 1.116 1.00 1.70 H new ATOM 0 HE3 MET A 81 -7.440 5.315 -0.600 1.00 1.70 H new ATOM 324 N ALA A 82 -4.001 0.766 3.538 1.00 0.28 N ATOM 325 CA ALA A 82 -3.245 0.563 4.804 1.00 0.32 C ATOM 326 C ALA A 82 -1.869 -0.032 4.483 1.00 0.30 C ATOM 327 O ALA A 82 -0.862 0.414 4.996 1.00 0.30 O ATOM 328 CB ALA A 82 -4.030 -0.363 5.747 1.00 0.37 C ATOM 0 H ALA A 82 -4.902 0.290 3.491 1.00 0.28 H new ATOM 0 HA ALA A 82 -3.109 1.521 5.305 1.00 0.32 H new ATOM 0 HB1 ALA A 82 -3.467 -0.504 6.670 1.00 0.37 H new ATOM 0 HB2 ALA A 82 -4.996 0.086 5.976 1.00 0.37 H new ATOM 0 HB3 ALA A 82 -4.184 -1.328 5.264 1.00 0.37 H new ATOM 334 N GLY A 83 -1.809 -1.037 3.643 1.00 0.28 N ATOM 335 CA GLY A 83 -0.489 -1.639 3.312 1.00 0.27 C ATOM 336 C GLY A 83 0.436 -0.556 2.757 1.00 0.23 C ATOM 337 O GLY A 83 1.575 -0.436 3.163 1.00 0.23 O ATOM 0 H GLY A 83 -2.612 -1.460 3.178 1.00 0.28 H new ATOM 0 HA2 GLY A 83 -0.048 -2.089 4.202 1.00 0.27 H new ATOM 0 HA3 GLY A 83 -0.614 -2.437 2.580 1.00 0.27 H new ATOM 341 N VAL A 84 -0.040 0.239 1.838 1.00 0.21 N ATOM 342 CA VAL A 84 0.826 1.312 1.274 1.00 0.19 C ATOM 343 C VAL A 84 1.319 2.210 2.412 1.00 0.20 C ATOM 344 O VAL A 84 2.491 2.512 2.514 1.00 0.19 O ATOM 345 CB VAL A 84 0.022 2.146 0.276 1.00 0.22 C ATOM 346 CG1 VAL A 84 0.860 3.340 -0.185 1.00 0.28 C ATOM 347 CG2 VAL A 84 -0.340 1.282 -0.934 1.00 0.27 C ATOM 0 H VAL A 84 -0.984 0.193 1.456 1.00 0.21 H new ATOM 0 HA VAL A 84 1.679 0.865 0.764 1.00 0.19 H new ATOM 0 HB VAL A 84 -0.889 2.505 0.754 1.00 0.22 H new ATOM 0 HG11 VAL A 84 0.286 3.934 -0.896 1.00 0.28 H new ATOM 0 HG12 VAL A 84 1.120 3.956 0.676 1.00 0.28 H new ATOM 0 HG13 VAL A 84 1.772 2.982 -0.663 1.00 0.28 H new ATOM 0 HG21 VAL A 84 -0.913 1.875 -1.646 1.00 0.27 H new ATOM 0 HG22 VAL A 84 0.572 0.924 -1.411 1.00 0.27 H new ATOM 0 HG23 VAL A 84 -0.937 0.431 -0.608 1.00 0.27 H new ATOM 357 N ILE A 85 0.432 2.630 3.277 1.00 0.23 N ATOM 358 CA ILE A 85 0.854 3.497 4.413 1.00 0.27 C ATOM 359 C ILE A 85 1.931 2.775 5.231 1.00 0.27 C ATOM 360 O ILE A 85 2.948 3.345 5.573 1.00 0.28 O ATOM 361 CB ILE A 85 -0.362 3.802 5.297 1.00 0.33 C ATOM 362 CG1 ILE A 85 -1.205 4.893 4.633 1.00 0.67 C ATOM 363 CG2 ILE A 85 0.099 4.289 6.674 1.00 0.75 C ATOM 364 CD1 ILE A 85 -2.634 4.385 4.429 1.00 1.20 C ATOM 0 H ILE A 85 -0.563 2.410 3.245 1.00 0.23 H new ATOM 0 HA ILE A 85 1.263 4.433 4.032 1.00 0.27 H new ATOM 0 HB ILE A 85 -0.954 2.895 5.418 1.00 0.33 H new ATOM 0 HG12 ILE A 85 -1.212 5.789 5.253 1.00 0.67 H new ATOM 0 HG13 ILE A 85 -0.767 5.172 3.675 1.00 0.67 H new ATOM 0 HG21 ILE A 85 -0.771 4.503 7.294 1.00 0.75 H new ATOM 0 HG22 ILE A 85 0.703 3.516 7.150 1.00 0.75 H new ATOM 0 HG23 ILE A 85 0.694 5.195 6.559 1.00 0.75 H new ATOM 0 HD11 ILE A 85 -3.233 5.163 3.956 1.00 1.20 H new ATOM 0 HD12 ILE A 85 -2.618 3.501 3.791 1.00 1.20 H new ATOM 0 HD13 ILE A 85 -3.070 4.128 5.394 1.00 1.20 H new ATOM 376 N GLY A 86 1.713 1.527 5.554 1.00 0.29 N ATOM 377 CA GLY A 86 2.720 0.777 6.353 1.00 0.33 C ATOM 378 C GLY A 86 4.068 0.792 5.631 1.00 0.30 C ATOM 379 O GLY A 86 5.094 1.064 6.223 1.00 0.33 O ATOM 0 H GLY A 86 0.880 0.997 5.298 1.00 0.29 H new ATOM 0 HA2 GLY A 86 2.821 1.226 7.341 1.00 0.33 H new ATOM 0 HA3 GLY A 86 2.388 -0.250 6.502 1.00 0.33 H new ATOM 383 N THR A 87 4.079 0.506 4.358 1.00 0.25 N ATOM 384 CA THR A 87 5.369 0.512 3.615 1.00 0.25 C ATOM 385 C THR A 87 6.020 1.888 3.757 1.00 0.26 C ATOM 386 O THR A 87 7.191 2.003 4.066 1.00 0.32 O ATOM 387 CB THR A 87 5.107 0.218 2.134 1.00 0.24 C ATOM 388 OG1 THR A 87 4.589 -1.100 1.999 1.00 0.34 O ATOM 389 CG2 THR A 87 6.412 0.339 1.346 1.00 0.31 C ATOM 0 H THR A 87 3.256 0.270 3.804 1.00 0.25 H new ATOM 0 HA THR A 87 6.032 -0.252 4.021 1.00 0.25 H new ATOM 0 HB THR A 87 4.385 0.935 1.744 1.00 0.24 H new ATOM 0 HG1 THR A 87 5.160 -1.728 2.489 1.00 0.34 H new ATOM 0 HG21 THR A 87 6.222 0.129 0.293 1.00 0.31 H new ATOM 0 HG22 THR A 87 6.807 1.350 1.449 1.00 0.31 H new ATOM 0 HG23 THR A 87 7.138 -0.376 1.733 1.00 0.31 H new ATOM 397 N ILE A 88 5.268 2.934 3.548 1.00 0.24 N ATOM 398 CA ILE A 88 5.842 4.301 3.687 1.00 0.33 C ATOM 399 C ILE A 88 6.413 4.469 5.094 1.00 0.39 C ATOM 400 O ILE A 88 7.518 4.939 5.278 1.00 0.47 O ATOM 401 CB ILE A 88 4.745 5.341 3.459 1.00 0.37 C ATOM 402 CG1 ILE A 88 4.321 5.323 1.988 1.00 0.39 C ATOM 403 CG2 ILE A 88 5.274 6.730 3.819 1.00 0.47 C ATOM 404 CD1 ILE A 88 3.017 6.103 1.823 1.00 0.49 C ATOM 0 H ILE A 88 4.282 2.901 3.287 1.00 0.24 H new ATOM 0 HA ILE A 88 6.634 4.440 2.951 1.00 0.33 H new ATOM 0 HB ILE A 88 3.887 5.105 4.088 1.00 0.37 H new ATOM 0 HG12 ILE A 88 5.102 5.764 1.368 1.00 0.39 H new ATOM 0 HG13 ILE A 88 4.188 4.295 1.650 1.00 0.39 H new ATOM 0 HG21 ILE A 88 4.491 7.471 3.656 1.00 0.47 H new ATOM 0 HG22 ILE A 88 5.575 6.744 4.866 1.00 0.47 H new ATOM 0 HG23 ILE A 88 6.133 6.966 3.191 1.00 0.47 H new ATOM 0 HD11 ILE A 88 2.715 6.090 0.776 1.00 0.49 H new ATOM 0 HD12 ILE A 88 2.238 5.642 2.431 1.00 0.49 H new ATOM 0 HD13 ILE A 88 3.166 7.134 2.145 1.00 0.49 H new ATOM 416 N LEU A 89 5.660 4.089 6.090 1.00 0.39 N ATOM 417 CA LEU A 89 6.141 4.221 7.490 1.00 0.49 C ATOM 418 C LEU A 89 7.462 3.454 7.649 1.00 0.53 C ATOM 419 O LEU A 89 8.418 3.959 8.205 1.00 0.62 O ATOM 420 CB LEU A 89 5.049 3.685 8.441 1.00 0.53 C ATOM 421 CG LEU A 89 5.621 2.679 9.445 1.00 0.59 C ATOM 422 CD1 LEU A 89 6.594 3.391 10.385 1.00 0.68 C ATOM 423 CD2 LEU A 89 4.479 2.069 10.261 1.00 0.65 C ATOM 0 H LEU A 89 4.726 3.690 5.991 1.00 0.39 H new ATOM 0 HA LEU A 89 6.332 5.265 7.738 1.00 0.49 H new ATOM 0 HB2 LEU A 89 4.593 4.517 8.978 1.00 0.53 H new ATOM 0 HB3 LEU A 89 4.259 3.210 7.859 1.00 0.53 H new ATOM 0 HG LEU A 89 6.148 1.890 8.908 1.00 0.59 H new ATOM 0 HD11 LEU A 89 7.000 2.674 11.099 1.00 0.68 H new ATOM 0 HD12 LEU A 89 7.408 3.826 9.805 1.00 0.68 H new ATOM 0 HD13 LEU A 89 6.069 4.180 10.922 1.00 0.68 H new ATOM 0 HD21 LEU A 89 4.885 1.353 10.976 1.00 0.65 H new ATOM 0 HD22 LEU A 89 3.953 2.859 10.797 1.00 0.65 H new ATOM 0 HD23 LEU A 89 3.785 1.560 9.592 1.00 0.65 H new ATOM 435 N LEU A 90 7.522 2.243 7.167 1.00 0.49 N ATOM 436 CA LEU A 90 8.783 1.456 7.299 1.00 0.57 C ATOM 437 C LEU A 90 9.932 2.235 6.656 1.00 0.60 C ATOM 438 O LEU A 90 10.995 2.375 7.227 1.00 0.71 O ATOM 439 CB LEU A 90 8.630 0.105 6.590 1.00 0.56 C ATOM 440 CG LEU A 90 7.970 -0.900 7.538 1.00 1.24 C ATOM 441 CD1 LEU A 90 6.448 -0.768 7.448 1.00 1.76 C ATOM 442 CD2 LEU A 90 8.381 -2.321 7.143 1.00 1.92 C ATOM 0 H LEU A 90 6.757 1.765 6.690 1.00 0.49 H new ATOM 0 HA LEU A 90 8.994 1.287 8.355 1.00 0.57 H new ATOM 0 HB2 LEU A 90 8.027 0.222 5.690 1.00 0.56 H new ATOM 0 HB3 LEU A 90 9.606 -0.264 6.274 1.00 0.56 H new ATOM 0 HG LEU A 90 8.292 -0.698 8.559 1.00 1.24 H new ATOM 0 HD11 LEU A 90 5.980 -1.484 8.123 1.00 1.76 H new ATOM 0 HD12 LEU A 90 6.153 0.243 7.730 1.00 1.76 H new ATOM 0 HD13 LEU A 90 6.125 -0.968 6.426 1.00 1.76 H new ATOM 0 HD21 LEU A 90 7.911 -3.037 7.818 1.00 1.92 H new ATOM 0 HD22 LEU A 90 8.060 -2.522 6.121 1.00 1.92 H new ATOM 0 HD23 LEU A 90 9.465 -2.418 7.209 1.00 1.92 H new ATOM 454 N ILE A 91 9.726 2.743 5.473 1.00 0.55 N ATOM 455 CA ILE A 91 10.806 3.513 4.794 1.00 0.65 C ATOM 456 C ILE A 91 11.240 4.678 5.680 1.00 0.75 C ATOM 457 O ILE A 91 12.416 4.904 5.883 1.00 0.87 O ATOM 458 CB ILE A 91 10.286 4.055 3.462 1.00 0.63 C ATOM 459 CG1 ILE A 91 10.005 2.887 2.513 1.00 0.58 C ATOM 460 CG2 ILE A 91 11.337 4.976 2.839 1.00 0.75 C ATOM 461 CD1 ILE A 91 9.396 3.418 1.214 1.00 0.66 C ATOM 0 H ILE A 91 8.856 2.658 4.947 1.00 0.55 H new ATOM 0 HA ILE A 91 11.658 2.857 4.614 1.00 0.65 H new ATOM 0 HB ILE A 91 9.367 4.616 3.632 1.00 0.63 H new ATOM 0 HG12 ILE A 91 10.928 2.348 2.300 1.00 0.58 H new ATOM 0 HG13 ILE A 91 9.323 2.179 2.983 1.00 0.58 H new ATOM 0 HG21 ILE A 91 10.966 5.362 1.890 1.00 0.75 H new ATOM 0 HG22 ILE A 91 11.539 5.807 3.515 1.00 0.75 H new ATOM 0 HG23 ILE A 91 12.256 4.416 2.668 1.00 0.75 H new ATOM 0 HD11 ILE A 91 9.196 2.586 0.539 1.00 0.66 H new ATOM 0 HD12 ILE A 91 8.464 3.938 1.435 1.00 0.66 H new ATOM 0 HD13 ILE A 91 10.093 4.109 0.741 1.00 0.66 H new ATOM 473 N SER A 92 10.309 5.421 6.212 1.00 0.73 N ATOM 474 CA SER A 92 10.701 6.563 7.080 1.00 0.87 C ATOM 475 C SER A 92 11.562 6.037 8.228 1.00 0.94 C ATOM 476 O SER A 92 12.611 6.570 8.527 1.00 1.07 O ATOM 477 CB SER A 92 9.449 7.234 7.645 1.00 0.86 C ATOM 478 OG SER A 92 9.075 8.315 6.800 1.00 1.29 O ATOM 0 H SER A 92 9.306 5.288 6.085 1.00 0.73 H new ATOM 0 HA SER A 92 11.264 7.293 6.498 1.00 0.87 H new ATOM 0 HB2 SER A 92 8.635 6.512 7.714 1.00 0.86 H new ATOM 0 HB3 SER A 92 9.640 7.596 8.655 1.00 0.86 H new ATOM 0 HG SER A 92 8.271 8.747 7.158 1.00 1.29 H new ATOM 484 N TYR A 93 11.139 4.989 8.875 1.00 0.89 N ATOM 485 CA TYR A 93 11.962 4.443 9.985 1.00 1.00 C ATOM 486 C TYR A 93 13.356 4.080 9.458 1.00 1.05 C ATOM 487 O TYR A 93 14.361 4.426 10.045 1.00 1.18 O ATOM 488 CB TYR A 93 11.289 3.192 10.554 1.00 0.96 C ATOM 489 CG TYR A 93 12.034 2.736 11.785 1.00 1.27 C ATOM 490 CD1 TYR A 93 11.807 3.367 13.015 1.00 2.13 C ATOM 491 CD2 TYR A 93 12.951 1.682 11.699 1.00 1.62 C ATOM 492 CE1 TYR A 93 12.497 2.945 14.156 1.00 2.53 C ATOM 493 CE2 TYR A 93 13.641 1.259 12.841 1.00 1.95 C ATOM 494 CZ TYR A 93 13.415 1.891 14.070 1.00 2.15 C ATOM 495 OH TYR A 93 14.096 1.476 15.195 1.00 2.64 O ATOM 0 H TYR A 93 10.269 4.492 8.686 1.00 0.89 H new ATOM 0 HA TYR A 93 12.055 5.193 10.770 1.00 1.00 H new ATOM 0 HB2 TYR A 93 10.250 3.407 10.803 1.00 0.96 H new ATOM 0 HB3 TYR A 93 11.280 2.399 9.806 1.00 0.96 H new ATOM 0 HD1 TYR A 93 11.099 4.180 13.082 1.00 2.13 H new ATOM 0 HD2 TYR A 93 13.126 1.195 10.751 1.00 1.62 H new ATOM 0 HE1 TYR A 93 12.322 3.432 15.104 1.00 2.53 H new ATOM 0 HE2 TYR A 93 14.348 0.445 12.774 1.00 1.95 H new ATOM 0 HH TYR A 93 14.693 0.734 14.961 1.00 2.64 H new ATOM 505 N GLY A 94 13.424 3.375 8.352 1.00 0.97 N ATOM 506 CA GLY A 94 14.752 2.986 7.794 1.00 1.05 C ATOM 507 C GLY A 94 15.603 4.224 7.514 1.00 1.16 C ATOM 508 O GLY A 94 16.758 4.290 7.888 1.00 1.29 O ATOM 0 H GLY A 94 12.618 3.055 7.816 1.00 0.97 H new ATOM 0 HA2 GLY A 94 15.270 2.333 8.497 1.00 1.05 H new ATOM 0 HA3 GLY A 94 14.613 2.418 6.874 1.00 1.05 H new ATOM 512 N ILE A 95 15.048 5.209 6.858 1.00 1.14 N ATOM 513 CA ILE A 95 15.846 6.436 6.564 1.00 1.29 C ATOM 514 C ILE A 95 16.357 7.035 7.875 1.00 1.41 C ATOM 515 O ILE A 95 17.516 7.381 7.999 1.00 1.55 O ATOM 516 CB ILE A 95 15.001 7.462 5.795 1.00 1.28 C ATOM 517 CG1 ILE A 95 15.767 8.784 5.703 1.00 1.74 C ATOM 518 CG2 ILE A 95 13.669 7.696 6.503 1.00 1.77 C ATOM 519 CD1 ILE A 95 16.118 9.071 4.243 1.00 2.19 C ATOM 0 H ILE A 95 14.087 5.218 6.516 1.00 1.14 H new ATOM 0 HA ILE A 95 16.696 6.167 5.937 1.00 1.29 H new ATOM 0 HB ILE A 95 14.804 7.076 4.795 1.00 1.28 H new ATOM 0 HG12 ILE A 95 15.163 9.595 6.109 1.00 1.74 H new ATOM 0 HG13 ILE A 95 16.676 8.732 6.303 1.00 1.74 H new ATOM 0 HG21 ILE A 95 13.083 8.426 5.944 1.00 1.77 H new ATOM 0 HG22 ILE A 95 13.118 6.757 6.562 1.00 1.77 H new ATOM 0 HG23 ILE A 95 13.853 8.072 7.509 1.00 1.77 H new ATOM 0 HD11 ILE A 95 16.663 10.013 4.178 1.00 2.19 H new ATOM 0 HD12 ILE A 95 16.739 8.264 3.853 1.00 2.19 H new ATOM 0 HD13 ILE A 95 15.202 9.141 3.656 1.00 2.19 H new ATOM 531 N ARG A 96 15.504 7.161 8.855 1.00 1.37 N ATOM 532 CA ARG A 96 15.945 7.739 10.154 1.00 1.51 C ATOM 533 C ARG A 96 17.109 6.918 10.712 1.00 1.58 C ATOM 534 O ARG A 96 18.111 7.454 11.142 1.00 1.73 O ATOM 535 CB ARG A 96 14.780 7.711 11.146 1.00 1.46 C ATOM 536 CG ARG A 96 13.526 8.279 10.475 1.00 1.73 C ATOM 537 CD ARG A 96 13.020 9.481 11.274 1.00 2.03 C ATOM 538 NE ARG A 96 11.740 9.124 11.951 1.00 2.00 N ATOM 539 CZ ARG A 96 11.280 9.874 12.915 1.00 2.45 C ATOM 540 NH1 ARG A 96 11.299 11.174 12.796 1.00 3.14 N ATOM 541 NH2 ARG A 96 10.801 9.325 13.998 1.00 2.76 N ATOM 0 H ARG A 96 14.522 6.889 8.811 1.00 1.37 H new ATOM 0 HA ARG A 96 16.269 8.768 10.001 1.00 1.51 H new ATOM 0 HB2 ARG A 96 14.596 6.690 11.479 1.00 1.46 H new ATOM 0 HB3 ARG A 96 15.028 8.296 12.032 1.00 1.46 H new ATOM 0 HG2 ARG A 96 13.752 8.578 9.452 1.00 1.73 H new ATOM 0 HG3 ARG A 96 12.752 7.514 10.420 1.00 1.73 H new ATOM 0 HD2 ARG A 96 13.764 9.779 12.013 1.00 2.03 H new ATOM 0 HD3 ARG A 96 12.868 10.334 10.612 1.00 2.03 H new ATOM 0 HE ARG A 96 11.224 8.293 11.661 1.00 2.00 H new ATOM 0 HH11 ARG A 96 11.673 11.603 11.950 1.00 3.14 H new ATOM 0 HH12 ARG A 96 10.940 11.760 13.549 1.00 3.14 H new ATOM 0 HH21 ARG A 96 10.786 8.309 14.091 1.00 2.76 H new ATOM 0 HH22 ARG A 96 10.442 9.912 14.751 1.00 2.76 H new ATOM 555 N ARG A 97 16.982 5.620 10.717 1.00 1.50 N ATOM 556 CA ARG A 97 18.079 4.767 11.252 1.00 1.59 C ATOM 557 C ARG A 97 19.381 5.044 10.496 1.00 1.69 C ATOM 558 O ARG A 97 20.427 5.222 11.089 1.00 1.84 O ATOM 559 CB ARG A 97 17.702 3.293 11.100 1.00 1.50 C ATOM 560 CG ARG A 97 18.633 2.438 11.964 1.00 1.77 C ATOM 561 CD ARG A 97 19.370 1.429 11.082 1.00 2.23 C ATOM 562 NE ARG A 97 19.305 0.081 11.712 1.00 2.70 N ATOM 563 CZ ARG A 97 19.599 -0.979 11.012 1.00 3.07 C ATOM 564 NH1 ARG A 97 20.732 -1.040 10.367 1.00 3.56 N ATOM 565 NH2 ARG A 97 18.760 -1.976 10.954 1.00 3.58 N ATOM 0 H ARG A 97 16.166 5.113 10.374 1.00 1.50 H new ATOM 0 HA ARG A 97 18.226 5.000 12.307 1.00 1.59 H new ATOM 0 HB2 ARG A 97 16.666 3.139 11.400 1.00 1.50 H new ATOM 0 HB3 ARG A 97 17.779 2.992 10.055 1.00 1.50 H new ATOM 0 HG2 ARG A 97 19.350 3.074 12.483 1.00 1.77 H new ATOM 0 HG3 ARG A 97 18.058 1.916 12.729 1.00 1.77 H new ATOM 0 HD2 ARG A 97 18.921 1.401 10.089 1.00 2.23 H new ATOM 0 HD3 ARG A 97 20.409 1.733 10.953 1.00 2.23 H new ATOM 0 HE ARG A 97 19.031 -0.013 12.690 1.00 2.70 H new ATOM 0 HH11 ARG A 97 21.386 -0.259 10.411 1.00 3.56 H new ATOM 0 HH12 ARG A 97 20.963 -1.869 9.819 1.00 3.56 H new ATOM 0 HH21 ARG A 97 17.874 -1.927 11.456 1.00 3.58 H new ATOM 0 HH22 ARG A 97 18.990 -2.805 10.406 1.00 3.58 H new ATOM 579 N LEU A 98 19.329 5.081 9.191 1.00 1.64 N ATOM 580 CA LEU A 98 20.564 5.344 8.405 1.00 1.75 C ATOM 581 C LEU A 98 21.160 6.683 8.854 1.00 1.91 C ATOM 582 O LEU A 98 22.344 6.798 9.103 1.00 2.05 O ATOM 583 CB LEU A 98 20.203 5.358 6.903 1.00 1.69 C ATOM 584 CG LEU A 98 20.788 6.589 6.201 1.00 2.11 C ATOM 585 CD1 LEU A 98 22.316 6.527 6.247 1.00 2.66 C ATOM 586 CD2 LEU A 98 20.323 6.614 4.742 1.00 2.38 C ATOM 0 H LEU A 98 18.484 4.940 8.638 1.00 1.64 H new ATOM 0 HA LEU A 98 21.309 4.566 8.571 1.00 1.75 H new ATOM 0 HB2 LEU A 98 20.580 4.452 6.428 1.00 1.69 H new ATOM 0 HB3 LEU A 98 19.119 5.351 6.787 1.00 1.69 H new ATOM 0 HG LEU A 98 20.446 7.491 6.708 1.00 2.11 H new ATOM 0 HD11 LEU A 98 22.731 7.403 5.748 1.00 2.66 H new ATOM 0 HD12 LEU A 98 22.648 6.510 7.285 1.00 2.66 H new ATOM 0 HD13 LEU A 98 22.659 5.624 5.741 1.00 2.66 H new ATOM 0 HD21 LEU A 98 20.739 7.489 4.243 1.00 2.38 H new ATOM 0 HD22 LEU A 98 20.664 5.711 4.236 1.00 2.38 H new ATOM 0 HD23 LEU A 98 19.234 6.660 4.708 1.00 2.38 H new ATOM 598 N ILE A 99 20.342 7.692 8.960 1.00 1.90 N ATOM 599 CA ILE A 99 20.847 9.023 9.392 1.00 2.06 C ATOM 600 C ILE A 99 21.184 8.978 10.884 1.00 2.14 C ATOM 601 O ILE A 99 22.137 9.584 11.334 1.00 2.20 O ATOM 602 CB ILE A 99 19.766 10.073 9.144 1.00 2.05 C ATOM 603 CG1 ILE A 99 18.493 9.668 9.888 1.00 1.98 C ATOM 604 CG2 ILE A 99 19.471 10.157 7.645 1.00 2.03 C ATOM 605 CD1 ILE A 99 17.430 10.752 9.709 1.00 2.00 C ATOM 0 H ILE A 99 19.342 7.651 8.765 1.00 1.90 H new ATOM 0 HA ILE A 99 21.743 9.279 8.826 1.00 2.06 H new ATOM 0 HB ILE A 99 20.109 11.044 9.502 1.00 2.05 H new ATOM 0 HG12 ILE A 99 18.124 8.716 9.507 1.00 1.98 H new ATOM 0 HG13 ILE A 99 18.708 9.526 10.947 1.00 1.98 H new ATOM 0 HG21 ILE A 99 18.700 10.906 7.467 1.00 2.03 H new ATOM 0 HG22 ILE A 99 20.379 10.437 7.111 1.00 2.03 H new ATOM 0 HG23 ILE A 99 19.124 9.187 7.288 1.00 2.03 H new ATOM 0 HD11 ILE A 99 16.523 10.463 10.239 1.00 2.00 H new ATOM 0 HD12 ILE A 99 17.801 11.695 10.111 1.00 2.00 H new ATOM 0 HD13 ILE A 99 17.208 10.872 8.649 1.00 2.00 H new ATOM 617 N LYS A 100 20.411 8.262 11.656 1.00 2.35 N ATOM 618 CA LYS A 100 20.688 8.177 13.118 1.00 2.45 C ATOM 619 C LYS A 100 21.474 6.898 13.413 1.00 2.85 C ATOM 620 O LYS A 100 21.009 6.018 14.110 1.00 3.21 O ATOM 621 CB LYS A 100 19.366 8.153 13.892 1.00 2.30 C ATOM 622 CG LYS A 100 19.545 8.865 15.234 1.00 2.60 C ATOM 623 CD LYS A 100 19.524 7.836 16.367 1.00 2.94 C ATOM 624 CE LYS A 100 18.111 7.267 16.512 1.00 3.56 C ATOM 625 NZ LYS A 100 17.834 6.990 17.951 1.00 3.91 N ATOM 0 H LYS A 100 19.600 7.732 11.337 1.00 2.35 H new ATOM 0 HA LYS A 100 21.272 9.044 13.427 1.00 2.45 H new ATOM 0 HB2 LYS A 100 18.584 8.642 13.311 1.00 2.30 H new ATOM 0 HB3 LYS A 100 19.047 7.124 14.055 1.00 2.30 H new ATOM 0 HG2 LYS A 100 20.487 9.413 15.244 1.00 2.60 H new ATOM 0 HG3 LYS A 100 18.750 9.596 15.378 1.00 2.60 H new ATOM 0 HD2 LYS A 100 20.231 7.033 16.157 1.00 2.94 H new ATOM 0 HD3 LYS A 100 19.838 8.301 17.301 1.00 2.94 H new ATOM 0 HE2 LYS A 100 17.380 7.974 16.119 1.00 3.56 H new ATOM 0 HE3 LYS A 100 18.014 6.351 15.929 1.00 3.56 H new ATOM 0 HZ1 LYS A 100 16.874 6.603 18.051 1.00 3.91 H new ATOM 0 HZ2 LYS A 100 18.524 6.301 18.311 1.00 3.91 H new ATOM 0 HZ3 LYS A 100 17.910 7.873 18.495 1.00 3.91 H new ATOM 639 N LYS A 101 22.664 6.788 12.888 1.00 3.09 N ATOM 640 CA LYS A 101 23.481 5.566 13.137 1.00 3.63 C ATOM 641 C LYS A 101 22.638 4.322 12.854 1.00 4.10 C ATOM 642 O LYS A 101 21.962 3.869 13.763 1.00 4.56 O ATOM 643 CB LYS A 101 23.941 5.548 14.595 1.00 3.99 C ATOM 644 CG LYS A 101 25.431 5.888 14.665 1.00 4.58 C ATOM 645 CD LYS A 101 25.692 6.798 15.868 1.00 5.25 C ATOM 646 CE LYS A 101 26.366 5.993 16.980 1.00 6.09 C ATOM 647 NZ LYS A 101 27.796 6.397 17.089 1.00 6.53 N ATOM 648 OXT LYS A 101 22.681 3.844 11.732 1.00 4.44 O ATOM 0 H LYS A 101 23.106 7.492 12.297 1.00 3.09 H new ATOM 0 HA LYS A 101 24.352 5.572 12.481 1.00 3.63 H new ATOM 0 HB2 LYS A 101 23.365 6.267 15.178 1.00 3.99 H new ATOM 0 HB3 LYS A 101 23.760 4.566 15.032 1.00 3.99 H new ATOM 0 HG2 LYS A 101 26.019 4.975 14.752 1.00 4.58 H new ATOM 0 HG3 LYS A 101 25.745 6.383 13.746 1.00 4.58 H new ATOM 0 HD2 LYS A 101 26.327 7.634 15.574 1.00 5.25 H new ATOM 0 HD3 LYS A 101 24.754 7.221 16.228 1.00 5.25 H new ATOM 0 HE2 LYS A 101 25.856 6.164 17.928 1.00 6.09 H new ATOM 0 HE3 LYS A 101 26.294 4.927 16.767 1.00 6.09 H new ATOM 0 HZ1 LYS A 101 28.255 5.850 17.845 1.00 6.53 H new ATOM 0 HZ2 LYS A 101 28.279 6.212 16.186 1.00 6.53 H new ATOM 0 HZ3 LYS A 101 27.854 7.411 17.312 1.00 6.53 H new TER 662 LYS A 101 ATOM 663 N VAL B 62 -3.121 -12.924 14.554 1.00 19.64 N ATOM 664 CA VAL B 62 -3.136 -11.434 14.536 1.00 19.45 C ATOM 665 C VAL B 62 -4.386 -10.928 15.259 1.00 18.79 C ATOM 666 O VAL B 62 -5.080 -10.054 14.780 1.00 19.02 O ATOM 667 CB VAL B 62 -3.149 -10.942 13.088 1.00 19.77 C ATOM 668 CG1 VAL B 62 -1.925 -11.486 12.351 1.00 20.22 C ATOM 669 CG2 VAL B 62 -4.421 -11.433 12.394 1.00 19.99 C ATOM 0 HA VAL B 62 -2.247 -11.055 15.040 1.00 19.45 H new ATOM 0 HB VAL B 62 -3.125 -9.852 13.076 1.00 19.77 H new ATOM 0 HG11 VAL B 62 -1.936 -11.135 11.319 1.00 20.22 H new ATOM 0 HG12 VAL B 62 -1.018 -11.136 12.844 1.00 20.22 H new ATOM 0 HG13 VAL B 62 -1.947 -12.576 12.363 1.00 20.22 H new ATOM 0 HG21 VAL B 62 -4.431 -11.083 11.362 1.00 19.99 H new ATOM 0 HG22 VAL B 62 -4.445 -12.523 12.408 1.00 19.99 H new ATOM 0 HG23 VAL B 62 -5.294 -11.044 12.917 1.00 19.99 H new ATOM 681 N GLN B 63 -4.677 -11.471 16.410 1.00 18.10 N ATOM 682 CA GLN B 63 -5.881 -11.020 17.163 1.00 17.56 C ATOM 683 C GLN B 63 -5.881 -11.657 18.554 1.00 16.86 C ATOM 684 O GLN B 63 -5.489 -12.793 18.728 1.00 16.59 O ATOM 685 CB GLN B 63 -7.144 -11.442 16.409 1.00 17.30 C ATOM 686 CG GLN B 63 -8.377 -11.105 17.249 1.00 17.01 C ATOM 687 CD GLN B 63 -8.379 -9.611 17.577 1.00 16.75 C ATOM 688 OE1 GLN B 63 -7.673 -9.172 18.463 1.00 17.03 O ATOM 689 NE2 GLN B 63 -9.148 -8.807 16.896 1.00 16.36 N ATOM 0 H GLN B 63 -4.133 -12.207 16.861 1.00 18.10 H new ATOM 0 HA GLN B 63 -5.862 -9.934 17.260 1.00 17.56 H new ATOM 0 HB2 GLN B 63 -7.195 -10.930 15.448 1.00 17.30 H new ATOM 0 HB3 GLN B 63 -7.115 -12.511 16.199 1.00 17.30 H new ATOM 0 HG2 GLN B 63 -9.284 -11.370 16.705 1.00 17.01 H new ATOM 0 HG3 GLN B 63 -8.374 -11.690 18.169 1.00 17.01 H new ATOM 0 HE21 GLN B 63 -9.740 -9.176 16.152 1.00 16.36 H new ATOM 0 HE22 GLN B 63 -9.157 -7.809 17.107 1.00 16.36 H new ATOM 698 N LEU B 64 -6.320 -10.932 19.547 1.00 16.69 N ATOM 699 CA LEU B 64 -6.348 -11.494 20.926 1.00 16.15 C ATOM 700 C LEU B 64 -7.798 -11.653 21.383 1.00 15.61 C ATOM 701 O LEU B 64 -8.096 -12.407 22.288 1.00 15.57 O ATOM 702 CB LEU B 64 -5.614 -10.549 21.879 1.00 16.73 C ATOM 703 CG LEU B 64 -4.351 -11.231 22.404 1.00 16.88 C ATOM 704 CD1 LEU B 64 -3.194 -10.974 21.437 1.00 17.47 C ATOM 705 CD2 LEU B 64 -4.001 -10.664 23.780 1.00 17.27 C ATOM 0 H LEU B 64 -6.660 -9.974 19.462 1.00 16.69 H new ATOM 0 HA LEU B 64 -5.857 -12.467 20.930 1.00 16.15 H new ATOM 0 HB2 LEU B 64 -5.353 -9.625 21.362 1.00 16.73 H new ATOM 0 HB3 LEU B 64 -6.265 -10.276 22.710 1.00 16.73 H new ATOM 0 HG LEU B 64 -4.524 -12.304 22.486 1.00 16.88 H new ATOM 0 HD11 LEU B 64 -2.293 -11.460 21.811 1.00 17.47 H new ATOM 0 HD12 LEU B 64 -3.444 -11.377 20.456 1.00 17.47 H new ATOM 0 HD13 LEU B 64 -3.020 -9.901 21.355 1.00 17.47 H new ATOM 0 HD21 LEU B 64 -3.100 -11.150 24.155 1.00 17.27 H new ATOM 0 HD22 LEU B 64 -3.827 -9.591 23.698 1.00 17.27 H new ATOM 0 HD23 LEU B 64 -4.826 -10.846 24.469 1.00 17.27 H new ATOM 717 N ALA B 65 -8.704 -10.948 20.762 1.00 15.34 N ATOM 718 CA ALA B 65 -10.135 -11.059 21.160 1.00 14.99 C ATOM 719 C ALA B 65 -10.880 -11.921 20.140 1.00 14.10 C ATOM 720 O ALA B 65 -12.087 -11.854 20.018 1.00 13.96 O ATOM 721 CB ALA B 65 -10.762 -9.664 21.204 1.00 15.58 C ATOM 0 H ALA B 65 -8.515 -10.301 19.997 1.00 15.34 H new ATOM 0 HA ALA B 65 -10.204 -11.519 22.146 1.00 14.99 H new ATOM 0 HB1 ALA B 65 -11.809 -9.745 21.495 1.00 15.58 H new ATOM 0 HB2 ALA B 65 -10.230 -9.049 21.930 1.00 15.58 H new ATOM 0 HB3 ALA B 65 -10.694 -9.203 20.218 1.00 15.58 H new ATOM 727 N HIS B 66 -10.168 -12.732 19.406 1.00 13.65 N ATOM 728 CA HIS B 66 -10.833 -13.599 18.394 1.00 12.91 C ATOM 729 C HIS B 66 -11.641 -12.729 17.428 1.00 12.30 C ATOM 730 O HIS B 66 -11.747 -11.531 17.598 1.00 12.38 O ATOM 731 CB HIS B 66 -11.769 -14.581 19.100 1.00 12.96 C ATOM 732 CG HIS B 66 -10.966 -15.728 19.650 1.00 13.34 C ATOM 733 ND1 HIS B 66 -11.447 -17.027 19.664 1.00 13.54 N ATOM 734 CD2 HIS B 66 -9.713 -15.785 20.208 1.00 13.74 C ATOM 735 CE1 HIS B 66 -10.497 -17.805 20.215 1.00 14.03 C ATOM 736 NE2 HIS B 66 -9.419 -17.097 20.565 1.00 14.18 N ATOM 0 H HIS B 66 -9.154 -12.831 19.464 1.00 13.65 H new ATOM 0 HA HIS B 66 -10.077 -14.153 17.838 1.00 12.91 H new ATOM 0 HB2 HIS B 66 -12.303 -14.077 19.906 1.00 12.96 H new ATOM 0 HB3 HIS B 66 -12.520 -14.950 18.402 1.00 12.96 H new ATOM 0 HD2 HIS B 66 -9.055 -14.940 20.348 1.00 13.74 H new ATOM 0 HE1 HIS B 66 -10.594 -18.871 20.357 1.00 14.03 H new ATOM 0 HE2 HIS B 66 -8.564 -17.444 21.000 1.00 14.18 H new ATOM 744 N HIS B 67 -12.210 -13.323 16.416 1.00 11.87 N ATOM 745 CA HIS B 67 -13.009 -12.530 15.441 1.00 11.46 C ATOM 746 C HIS B 67 -14.204 -13.360 14.966 1.00 10.55 C ATOM 747 O HIS B 67 -15.328 -12.900 14.971 1.00 10.53 O ATOM 748 CB HIS B 67 -12.132 -12.167 14.242 1.00 11.84 C ATOM 749 CG HIS B 67 -11.463 -13.408 13.718 1.00 12.35 C ATOM 750 ND1 HIS B 67 -10.715 -14.378 14.339 1.00 12.68 N flip ATOM 751 CD2 HIS B 67 -11.524 -13.774 12.383 1.00 12.80 C flip ATOM 752 CE1 HIS B 67 -10.317 -15.331 13.406 1.00 13.29 C flip ATOM 753 NE2 HIS B 67 -10.832 -14.919 12.244 1.00 13.39 N flip ATOM 0 H HIS B 67 -12.156 -14.323 16.222 1.00 11.87 H new ATOM 0 HA HIS B 67 -13.367 -11.619 15.920 1.00 11.46 H new ATOM 0 HB2 HIS B 67 -12.738 -11.709 13.460 1.00 11.84 H new ATOM 0 HB3 HIS B 67 -11.382 -11.432 14.535 1.00 11.84 H new ATOM 0 HD2 HIS B 67 -12.034 -13.237 11.597 1.00 12.80 H new ATOM 0 HE1 HIS B 67 -9.720 -16.214 13.583 1.00 13.29 H new ATOM 0 HE2 HIS B 67 -10.715 -15.413 11.359 1.00 13.39 H new ATOM 761 N PHE B 68 -13.967 -14.581 14.562 1.00 10.00 N ATOM 762 CA PHE B 68 -15.084 -15.454 14.086 1.00 9.29 C ATOM 763 C PHE B 68 -16.071 -14.628 13.259 1.00 8.27 C ATOM 764 O PHE B 68 -17.260 -14.631 13.508 1.00 8.29 O ATOM 765 CB PHE B 68 -15.812 -16.064 15.288 1.00 9.52 C ATOM 766 CG PHE B 68 -15.906 -15.048 16.400 1.00 10.43 C ATOM 767 CD1 PHE B 68 -14.876 -14.948 17.344 1.00 10.86 C ATOM 768 CD2 PHE B 68 -17.020 -14.205 16.489 1.00 11.07 C ATOM 769 CE1 PHE B 68 -14.961 -14.005 18.376 1.00 11.86 C ATOM 770 CE2 PHE B 68 -17.105 -13.262 17.520 1.00 12.06 C ATOM 771 CZ PHE B 68 -16.075 -13.162 18.463 1.00 12.43 C ATOM 0 H PHE B 68 -13.044 -15.014 14.541 1.00 10.00 H new ATOM 0 HA PHE B 68 -14.673 -16.252 13.467 1.00 9.29 H new ATOM 0 HB2 PHE B 68 -16.810 -16.388 14.994 1.00 9.52 H new ATOM 0 HB3 PHE B 68 -15.280 -16.949 15.636 1.00 9.52 H new ATOM 0 HD1 PHE B 68 -14.016 -15.598 17.276 1.00 10.86 H new ATOM 0 HD2 PHE B 68 -17.815 -14.282 15.762 1.00 11.07 H new ATOM 0 HE1 PHE B 68 -14.167 -13.928 19.104 1.00 11.86 H new ATOM 0 HE2 PHE B 68 -17.965 -12.612 17.588 1.00 12.06 H new ATOM 0 HZ PHE B 68 -16.140 -12.434 19.258 1.00 12.43 H new ATOM 781 N SER B 69 -15.588 -13.917 12.276 1.00 7.61 N ATOM 782 CA SER B 69 -16.500 -13.092 11.437 1.00 6.80 C ATOM 783 C SER B 69 -16.441 -13.572 9.987 1.00 5.60 C ATOM 784 O SER B 69 -16.081 -14.700 9.709 1.00 5.39 O ATOM 785 CB SER B 69 -16.067 -11.627 11.506 1.00 7.36 C ATOM 786 OG SER B 69 -14.812 -11.479 10.856 1.00 8.12 O ATOM 0 H SER B 69 -14.602 -13.873 12.019 1.00 7.61 H new ATOM 0 HA SER B 69 -17.520 -13.190 11.808 1.00 6.80 H new ATOM 0 HB2 SER B 69 -16.814 -10.992 11.030 1.00 7.36 H new ATOM 0 HB3 SER B 69 -15.992 -11.306 12.545 1.00 7.36 H new ATOM 0 HG SER B 69 -14.531 -10.541 10.896 1.00 8.12 H new ATOM 792 N GLU B 70 -16.791 -12.724 9.062 1.00 5.12 N ATOM 793 CA GLU B 70 -16.756 -13.123 7.627 1.00 4.22 C ATOM 794 C GLU B 70 -15.323 -13.000 7.098 1.00 3.04 C ATOM 795 O GLU B 70 -14.449 -12.524 7.793 1.00 3.18 O ATOM 796 CB GLU B 70 -17.679 -12.202 6.825 1.00 4.88 C ATOM 797 CG GLU B 70 -18.909 -12.985 6.362 1.00 5.77 C ATOM 798 CD GLU B 70 -20.147 -12.091 6.456 1.00 6.71 C ATOM 799 OE1 GLU B 70 -19.976 -10.883 6.517 1.00 7.29 O ATOM 800 OE2 GLU B 70 -21.242 -12.626 6.465 1.00 7.09 O ATOM 0 H GLU B 70 -17.101 -11.768 9.238 1.00 5.12 H new ATOM 0 HA GLU B 70 -17.091 -14.155 7.525 1.00 4.22 H new ATOM 0 HB2 GLU B 70 -17.985 -11.354 7.438 1.00 4.88 H new ATOM 0 HB3 GLU B 70 -17.147 -11.798 5.964 1.00 4.88 H new ATOM 0 HG2 GLU B 70 -18.771 -13.327 5.336 1.00 5.77 H new ATOM 0 HG3 GLU B 70 -19.041 -13.874 6.979 1.00 5.77 H new ATOM 807 N PRO B 71 -15.127 -13.431 5.873 1.00 2.28 N ATOM 808 CA PRO B 71 -13.807 -13.376 5.217 1.00 1.48 C ATOM 809 C PRO B 71 -13.341 -11.923 5.043 1.00 1.33 C ATOM 810 O PRO B 71 -12.238 -11.673 4.598 1.00 1.29 O ATOM 811 CB PRO B 71 -14.020 -14.038 3.848 1.00 2.00 C ATOM 812 CG PRO B 71 -15.517 -14.425 3.740 1.00 2.71 C ATOM 813 CD PRO B 71 -16.204 -14.014 5.050 1.00 2.87 C ATOM 0 HA PRO B 71 -13.039 -13.878 5.806 1.00 1.48 H new ATOM 0 HB2 PRO B 71 -13.743 -13.355 3.045 1.00 2.00 H new ATOM 0 HB3 PRO B 71 -13.388 -14.921 3.748 1.00 2.00 H new ATOM 0 HG2 PRO B 71 -15.981 -13.923 2.891 1.00 2.71 H new ATOM 0 HG3 PRO B 71 -15.623 -15.497 3.573 1.00 2.71 H new ATOM 0 HD2 PRO B 71 -17.000 -13.291 4.870 1.00 2.87 H new ATOM 0 HD3 PRO B 71 -16.659 -14.872 5.544 1.00 2.87 H new ATOM 821 N GLU B 72 -14.175 -10.970 5.381 1.00 1.30 N ATOM 822 CA GLU B 72 -13.790 -9.534 5.236 1.00 1.19 C ATOM 823 C GLU B 72 -12.307 -9.353 5.576 1.00 1.06 C ATOM 824 O GLU B 72 -11.536 -8.859 4.778 1.00 1.01 O ATOM 825 CB GLU B 72 -14.636 -8.687 6.187 1.00 1.29 C ATOM 826 CG GLU B 72 -16.109 -8.790 5.789 1.00 1.90 C ATOM 827 CD GLU B 72 -16.345 -8.000 4.501 1.00 2.25 C ATOM 828 OE1 GLU B 72 -15.372 -7.674 3.841 1.00 2.89 O ATOM 829 OE2 GLU B 72 -17.496 -7.734 4.195 1.00 2.52 O ATOM 0 H GLU B 72 -15.111 -11.128 5.753 1.00 1.30 H new ATOM 0 HA GLU B 72 -13.961 -9.218 4.207 1.00 1.19 H new ATOM 0 HB2 GLU B 72 -14.501 -9.029 7.213 1.00 1.29 H new ATOM 0 HB3 GLU B 72 -14.311 -7.647 6.152 1.00 1.29 H new ATOM 0 HG2 GLU B 72 -16.385 -9.834 5.644 1.00 1.90 H new ATOM 0 HG3 GLU B 72 -16.741 -8.401 6.588 1.00 1.90 H new ATOM 836 N ILE B 73 -11.899 -9.754 6.750 1.00 1.07 N ATOM 837 CA ILE B 73 -10.472 -9.608 7.129 1.00 0.98 C ATOM 838 C ILE B 73 -9.598 -10.284 6.070 1.00 0.89 C ATOM 839 O ILE B 73 -8.617 -9.730 5.619 1.00 0.82 O ATOM 840 CB ILE B 73 -10.243 -10.265 8.492 1.00 1.09 C ATOM 841 CG1 ILE B 73 -8.903 -9.802 9.052 1.00 1.29 C ATOM 842 CG2 ILE B 73 -10.232 -11.787 8.342 1.00 1.27 C ATOM 843 CD1 ILE B 73 -9.051 -8.395 9.632 1.00 2.11 C ATOM 0 H ILE B 73 -12.496 -10.176 7.461 1.00 1.07 H new ATOM 0 HA ILE B 73 -10.209 -8.552 7.191 1.00 0.98 H new ATOM 0 HB ILE B 73 -11.047 -9.979 9.170 1.00 1.09 H new ATOM 0 HG12 ILE B 73 -8.562 -10.491 9.825 1.00 1.29 H new ATOM 0 HG13 ILE B 73 -8.148 -9.805 8.266 1.00 1.29 H new ATOM 0 HG21 ILE B 73 -10.068 -12.247 9.316 1.00 1.27 H new ATOM 0 HG22 ILE B 73 -11.189 -12.120 7.939 1.00 1.27 H new ATOM 0 HG23 ILE B 73 -9.431 -12.080 7.663 1.00 1.27 H new ATOM 0 HD11 ILE B 73 -8.093 -8.064 10.032 1.00 2.11 H new ATOM 0 HD12 ILE B 73 -9.373 -7.710 8.847 1.00 2.11 H new ATOM 0 HD13 ILE B 73 -9.793 -8.407 10.430 1.00 2.11 H new ATOM 855 N THR B 74 -9.954 -11.473 5.664 1.00 0.92 N ATOM 856 CA THR B 74 -9.152 -12.184 4.628 1.00 0.87 C ATOM 857 C THR B 74 -8.932 -11.254 3.431 1.00 0.77 C ATOM 858 O THR B 74 -7.836 -11.121 2.923 1.00 0.69 O ATOM 859 CB THR B 74 -9.901 -13.437 4.171 1.00 0.99 C ATOM 860 OG1 THR B 74 -10.481 -14.077 5.299 1.00 1.57 O ATOM 861 CG2 THR B 74 -8.925 -14.393 3.484 1.00 1.43 C ATOM 0 H THR B 74 -10.768 -11.984 6.006 1.00 0.92 H new ATOM 0 HA THR B 74 -8.188 -12.473 5.048 1.00 0.87 H new ATOM 0 HB THR B 74 -10.686 -13.157 3.469 1.00 0.99 H new ATOM 0 HG1 THR B 74 -10.963 -14.879 5.008 1.00 1.57 H new ATOM 0 HG21 THR B 74 -9.459 -15.286 3.158 1.00 1.43 H new ATOM 0 HG22 THR B 74 -8.481 -13.900 2.619 1.00 1.43 H new ATOM 0 HG23 THR B 74 -8.139 -14.675 4.184 1.00 1.43 H new ATOM 869 N LEU B 75 -9.970 -10.609 2.978 1.00 0.81 N ATOM 870 CA LEU B 75 -9.823 -9.687 1.816 1.00 0.74 C ATOM 871 C LEU B 75 -8.999 -8.471 2.231 1.00 0.62 C ATOM 872 O LEU B 75 -8.100 -8.055 1.528 1.00 0.52 O ATOM 873 CB LEU B 75 -11.199 -9.216 1.330 1.00 0.87 C ATOM 874 CG LEU B 75 -11.711 -10.133 0.217 1.00 1.11 C ATOM 875 CD1 LEU B 75 -12.961 -9.514 -0.407 1.00 1.02 C ATOM 876 CD2 LEU B 75 -10.635 -10.293 -0.860 1.00 1.63 C ATOM 0 H LEU B 75 -10.913 -10.680 3.361 1.00 0.81 H new ATOM 0 HA LEU B 75 -9.322 -10.220 1.009 1.00 0.74 H new ATOM 0 HB2 LEU B 75 -11.904 -9.213 2.161 1.00 0.87 H new ATOM 0 HB3 LEU B 75 -11.132 -8.191 0.964 1.00 0.87 H new ATOM 0 HG LEU B 75 -11.950 -11.111 0.635 1.00 1.11 H new ATOM 0 HD11 LEU B 75 -13.331 -10.163 -1.201 1.00 1.02 H new ATOM 0 HD12 LEU B 75 -13.731 -9.400 0.356 1.00 1.02 H new ATOM 0 HD13 LEU B 75 -12.715 -8.537 -0.822 1.00 1.02 H new ATOM 0 HD21 LEU B 75 -11.005 -10.947 -1.650 1.00 1.63 H new ATOM 0 HD22 LEU B 75 -10.393 -9.317 -1.281 1.00 1.63 H new ATOM 0 HD23 LEU B 75 -9.739 -10.729 -0.418 1.00 1.63 H new ATOM 888 N ILE B 76 -9.302 -7.882 3.355 1.00 0.66 N ATOM 889 CA ILE B 76 -8.528 -6.682 3.772 1.00 0.59 C ATOM 890 C ILE B 76 -7.041 -7.039 3.841 1.00 0.48 C ATOM 891 O ILE B 76 -6.205 -6.337 3.307 1.00 0.39 O ATOM 892 CB ILE B 76 -8.993 -6.236 5.161 1.00 0.70 C ATOM 893 CG1 ILE B 76 -10.407 -5.662 5.085 1.00 0.89 C ATOM 894 CG2 ILE B 76 -8.044 -5.165 5.700 1.00 0.73 C ATOM 895 CD1 ILE B 76 -10.974 -5.558 6.504 1.00 1.02 C ATOM 0 H ILE B 76 -10.041 -8.175 3.994 1.00 0.66 H new ATOM 0 HA ILE B 76 -8.686 -5.879 3.052 1.00 0.59 H new ATOM 0 HB ILE B 76 -8.992 -7.100 5.826 1.00 0.70 H new ATOM 0 HG12 ILE B 76 -10.391 -4.680 4.612 1.00 0.89 H new ATOM 0 HG13 ILE B 76 -11.041 -6.301 4.471 1.00 0.89 H new ATOM 0 HG21 ILE B 76 -8.376 -4.849 6.689 1.00 0.73 H new ATOM 0 HG22 ILE B 76 -7.036 -5.574 5.770 1.00 0.73 H new ATOM 0 HG23 ILE B 76 -8.042 -4.308 5.026 1.00 0.73 H new ATOM 0 HD11 ILE B 76 -11.984 -5.149 6.463 1.00 1.02 H new ATOM 0 HD12 ILE B 76 -11.001 -6.548 6.958 1.00 1.02 H new ATOM 0 HD13 ILE B 76 -10.341 -4.902 7.102 1.00 1.02 H new ATOM 907 N ILE B 77 -6.698 -8.129 4.478 1.00 0.51 N ATOM 908 CA ILE B 77 -5.259 -8.512 4.541 1.00 0.45 C ATOM 909 C ILE B 77 -4.710 -8.672 3.120 1.00 0.35 C ATOM 910 O ILE B 77 -3.660 -8.159 2.788 1.00 0.30 O ATOM 911 CB ILE B 77 -5.083 -9.817 5.329 1.00 0.52 C ATOM 912 CG1 ILE B 77 -5.926 -10.930 4.704 1.00 1.19 C ATOM 913 CG2 ILE B 77 -5.529 -9.603 6.776 1.00 1.41 C ATOM 914 CD1 ILE B 77 -5.713 -12.227 5.487 1.00 1.86 C ATOM 0 H ILE B 77 -7.343 -8.762 4.951 1.00 0.51 H new ATOM 0 HA ILE B 77 -4.705 -7.727 5.055 1.00 0.45 H new ATOM 0 HB ILE B 77 -4.032 -10.105 5.302 1.00 0.52 H new ATOM 0 HG12 ILE B 77 -6.980 -10.654 4.716 1.00 1.19 H new ATOM 0 HG13 ILE B 77 -5.646 -11.072 3.660 1.00 1.19 H new ATOM 0 HG21 ILE B 77 -5.404 -10.530 7.336 1.00 1.41 H new ATOM 0 HG22 ILE B 77 -4.923 -8.819 7.231 1.00 1.41 H new ATOM 0 HG23 ILE B 77 -6.578 -9.307 6.793 1.00 1.41 H new ATOM 0 HD11 ILE B 77 -6.313 -13.022 5.044 1.00 1.86 H new ATOM 0 HD12 ILE B 77 -4.659 -12.504 5.452 1.00 1.86 H new ATOM 0 HD13 ILE B 77 -6.015 -12.080 6.524 1.00 1.86 H new ATOM 926 N PHE B 78 -5.419 -9.381 2.274 1.00 0.37 N ATOM 927 CA PHE B 78 -4.932 -9.566 0.872 1.00 0.34 C ATOM 928 C PHE B 78 -4.744 -8.202 0.214 1.00 0.29 C ATOM 929 O PHE B 78 -3.730 -7.929 -0.397 1.00 0.27 O ATOM 930 CB PHE B 78 -5.943 -10.390 0.064 1.00 0.44 C ATOM 931 CG PHE B 78 -5.472 -11.823 -0.011 1.00 1.05 C ATOM 932 CD1 PHE B 78 -5.284 -12.559 1.164 1.00 1.97 C ATOM 933 CD2 PHE B 78 -5.223 -12.415 -1.255 1.00 1.80 C ATOM 934 CE1 PHE B 78 -4.846 -13.887 1.097 1.00 2.71 C ATOM 935 CE2 PHE B 78 -4.785 -13.743 -1.324 1.00 2.57 C ATOM 936 CZ PHE B 78 -4.597 -14.479 -0.148 1.00 2.81 C ATOM 0 H PHE B 78 -6.306 -9.835 2.492 1.00 0.37 H new ATOM 0 HA PHE B 78 -3.980 -10.097 0.895 1.00 0.34 H new ATOM 0 HB2 PHE B 78 -6.926 -10.342 0.533 1.00 0.44 H new ATOM 0 HB3 PHE B 78 -6.048 -9.976 -0.939 1.00 0.44 H new ATOM 0 HD1 PHE B 78 -5.477 -12.102 2.123 1.00 1.97 H new ATOM 0 HD2 PHE B 78 -5.369 -11.847 -2.162 1.00 1.80 H new ATOM 0 HE1 PHE B 78 -4.700 -14.455 2.004 1.00 2.71 H new ATOM 0 HE2 PHE B 78 -4.592 -14.199 -2.284 1.00 2.57 H new ATOM 0 HZ PHE B 78 -4.260 -15.504 -0.201 1.00 2.81 H new ATOM 946 N GLY B 79 -5.713 -7.338 0.341 1.00 0.30 N ATOM 947 CA GLY B 79 -5.595 -5.987 -0.269 1.00 0.28 C ATOM 948 C GLY B 79 -4.343 -5.297 0.270 1.00 0.22 C ATOM 949 O GLY B 79 -3.568 -4.727 -0.471 1.00 0.23 O ATOM 0 H GLY B 79 -6.584 -7.512 0.843 1.00 0.30 H new ATOM 0 HA2 GLY B 79 -5.540 -6.069 -1.355 1.00 0.28 H new ATOM 0 HA3 GLY B 79 -6.479 -5.393 -0.039 1.00 0.28 H new ATOM 953 N VAL B 80 -4.146 -5.338 1.558 1.00 0.22 N ATOM 954 CA VAL B 80 -2.948 -4.679 2.149 1.00 0.23 C ATOM 955 C VAL B 80 -1.680 -5.248 1.506 1.00 0.22 C ATOM 956 O VAL B 80 -0.802 -4.516 1.099 1.00 0.23 O ATOM 957 CB VAL B 80 -2.920 -4.929 3.659 1.00 0.27 C ATOM 958 CG1 VAL B 80 -1.775 -4.132 4.287 1.00 0.33 C ATOM 959 CG2 VAL B 80 -4.251 -4.482 4.276 1.00 0.30 C ATOM 0 H VAL B 80 -4.763 -5.799 2.227 1.00 0.22 H new ATOM 0 HA VAL B 80 -2.994 -3.606 1.963 1.00 0.23 H new ATOM 0 HB VAL B 80 -2.770 -5.992 3.848 1.00 0.27 H new ATOM 0 HG11 VAL B 80 -1.755 -4.310 5.362 1.00 0.33 H new ATOM 0 HG12 VAL B 80 -0.828 -4.448 3.849 1.00 0.33 H new ATOM 0 HG13 VAL B 80 -1.925 -3.069 4.098 1.00 0.33 H new ATOM 0 HG21 VAL B 80 -4.232 -4.660 5.351 1.00 0.30 H new ATOM 0 HG22 VAL B 80 -4.401 -3.419 4.087 1.00 0.30 H new ATOM 0 HG23 VAL B 80 -5.068 -5.049 3.829 1.00 0.30 H new ATOM 969 N MET B 81 -1.577 -6.547 1.401 1.00 0.22 N ATOM 970 CA MET B 81 -0.363 -7.140 0.770 1.00 0.23 C ATOM 971 C MET B 81 -0.216 -6.571 -0.642 1.00 0.24 C ATOM 972 O MET B 81 0.846 -6.135 -1.044 1.00 0.25 O ATOM 973 CB MET B 81 -0.510 -8.663 0.696 1.00 0.26 C ATOM 974 CG MET B 81 -0.633 -9.234 2.110 1.00 0.32 C ATOM 975 SD MET B 81 1.019 -9.444 2.822 1.00 1.15 S ATOM 976 CE MET B 81 1.421 -11.009 2.006 1.00 1.83 C ATOM 0 H MET B 81 -2.275 -7.218 1.722 1.00 0.22 H new ATOM 0 HA MET B 81 0.518 -6.897 1.364 1.00 0.23 H new ATOM 0 HB2 MET B 81 -1.390 -8.926 0.109 1.00 0.26 H new ATOM 0 HB3 MET B 81 0.352 -9.098 0.191 1.00 0.26 H new ATOM 0 HG2 MET B 81 -1.227 -8.566 2.733 1.00 0.32 H new ATOM 0 HG3 MET B 81 -1.154 -10.191 2.083 1.00 0.32 H new ATOM 0 HE1 MET B 81 1.468 -11.805 2.749 1.00 1.83 H new ATOM 0 HE2 MET B 81 0.652 -11.244 1.271 1.00 1.83 H new ATOM 0 HE3 MET B 81 2.386 -10.921 1.506 1.00 1.83 H new ATOM 986 N ALA B 82 -1.284 -6.560 -1.392 1.00 0.25 N ATOM 987 CA ALA B 82 -1.225 -6.006 -2.772 1.00 0.27 C ATOM 988 C ALA B 82 -0.732 -4.555 -2.709 1.00 0.26 C ATOM 989 O ALA B 82 0.126 -4.152 -3.467 1.00 0.27 O ATOM 990 CB ALA B 82 -2.609 -6.080 -3.435 1.00 0.31 C ATOM 0 H ALA B 82 -2.198 -6.912 -1.106 1.00 0.25 H new ATOM 0 HA ALA B 82 -0.532 -6.595 -3.373 1.00 0.27 H new ATOM 0 HB1 ALA B 82 -2.551 -5.671 -4.444 1.00 0.31 H new ATOM 0 HB2 ALA B 82 -2.935 -7.119 -3.482 1.00 0.31 H new ATOM 0 HB3 ALA B 82 -3.324 -5.502 -2.850 1.00 0.31 H new ATOM 996 N GLY B 83 -1.268 -3.763 -1.813 1.00 0.25 N ATOM 997 CA GLY B 83 -0.826 -2.344 -1.715 1.00 0.26 C ATOM 998 C GLY B 83 0.685 -2.296 -1.483 1.00 0.24 C ATOM 999 O GLY B 83 1.395 -1.549 -2.127 1.00 0.24 O ATOM 0 H GLY B 83 -1.990 -4.040 -1.148 1.00 0.25 H new ATOM 0 HA2 GLY B 83 -1.082 -1.808 -2.629 1.00 0.26 H new ATOM 0 HA3 GLY B 83 -1.346 -1.845 -0.897 1.00 0.26 H new ATOM 1003 N VAL B 84 1.188 -3.085 -0.572 1.00 0.22 N ATOM 1004 CA VAL B 84 2.656 -3.067 -0.314 1.00 0.21 C ATOM 1005 C VAL B 84 3.403 -3.371 -1.615 1.00 0.21 C ATOM 1006 O VAL B 84 4.339 -2.686 -1.976 1.00 0.21 O ATOM 1007 CB VAL B 84 3.005 -4.131 0.729 1.00 0.23 C ATOM 1008 CG1 VAL B 84 4.525 -4.286 0.810 1.00 0.28 C ATOM 1009 CG2 VAL B 84 2.461 -3.703 2.094 1.00 0.31 C ATOM 0 H VAL B 84 0.651 -3.736 0.000 1.00 0.22 H new ATOM 0 HA VAL B 84 2.948 -2.084 0.056 1.00 0.21 H new ATOM 0 HB VAL B 84 2.558 -5.083 0.442 1.00 0.23 H new ATOM 0 HG11 VAL B 84 4.774 -5.044 1.553 1.00 0.28 H new ATOM 0 HG12 VAL B 84 4.912 -4.590 -0.163 1.00 0.28 H new ATOM 0 HG13 VAL B 84 4.973 -3.335 1.098 1.00 0.28 H new ATOM 0 HG21 VAL B 84 2.709 -4.460 2.838 1.00 0.31 H new ATOM 0 HG22 VAL B 84 2.908 -2.751 2.382 1.00 0.31 H new ATOM 0 HG23 VAL B 84 1.378 -3.592 2.036 1.00 0.31 H new ATOM 1019 N ILE B 85 2.994 -4.386 -2.330 1.00 0.23 N ATOM 1020 CA ILE B 85 3.683 -4.715 -3.609 1.00 0.25 C ATOM 1021 C ILE B 85 3.644 -3.496 -4.537 1.00 0.26 C ATOM 1022 O ILE B 85 4.642 -3.115 -5.117 1.00 0.26 O ATOM 1023 CB ILE B 85 2.974 -5.890 -4.282 1.00 0.30 C ATOM 1024 CG1 ILE B 85 3.125 -7.140 -3.411 1.00 0.32 C ATOM 1025 CG2 ILE B 85 3.601 -6.147 -5.654 1.00 0.40 C ATOM 1026 CD1 ILE B 85 2.121 -8.201 -3.864 1.00 1.06 C ATOM 0 H ILE B 85 2.216 -4.998 -2.084 1.00 0.23 H new ATOM 0 HA ILE B 85 4.719 -4.985 -3.405 1.00 0.25 H new ATOM 0 HB ILE B 85 1.917 -5.655 -4.404 1.00 0.30 H new ATOM 0 HG12 ILE B 85 4.140 -7.529 -3.487 1.00 0.32 H new ATOM 0 HG13 ILE B 85 2.957 -6.889 -2.364 1.00 0.32 H new ATOM 0 HG21 ILE B 85 3.095 -6.985 -6.134 1.00 0.40 H new ATOM 0 HG22 ILE B 85 3.497 -5.257 -6.274 1.00 0.40 H new ATOM 0 HG23 ILE B 85 4.658 -6.383 -5.532 1.00 0.40 H new ATOM 0 HD11 ILE B 85 2.228 -9.091 -3.244 1.00 1.06 H new ATOM 0 HD12 ILE B 85 1.109 -7.810 -3.765 1.00 1.06 H new ATOM 0 HD13 ILE B 85 2.310 -8.459 -4.906 1.00 1.06 H new ATOM 1038 N GLY B 86 2.500 -2.880 -4.677 1.00 0.27 N ATOM 1039 CA GLY B 86 2.394 -1.687 -5.563 1.00 0.30 C ATOM 1040 C GLY B 86 3.391 -0.622 -5.105 1.00 0.27 C ATOM 1041 O GLY B 86 4.110 -0.050 -5.901 1.00 0.29 O ATOM 0 H GLY B 86 1.633 -3.153 -4.214 1.00 0.27 H new ATOM 0 HA2 GLY B 86 2.596 -1.969 -6.596 1.00 0.30 H new ATOM 0 HA3 GLY B 86 1.380 -1.288 -5.534 1.00 0.30 H new ATOM 1045 N THR B 87 3.442 -0.350 -3.831 1.00 0.24 N ATOM 1046 CA THR B 87 4.394 0.679 -3.330 1.00 0.24 C ATOM 1047 C THR B 87 5.812 0.294 -3.754 1.00 0.24 C ATOM 1048 O THR B 87 6.560 1.104 -4.263 1.00 0.28 O ATOM 1049 CB THR B 87 4.315 0.749 -1.803 1.00 0.25 C ATOM 1050 OG1 THR B 87 2.952 0.819 -1.405 1.00 0.32 O ATOM 1051 CG2 THR B 87 5.057 1.992 -1.308 1.00 0.28 C ATOM 0 H THR B 87 2.866 -0.795 -3.116 1.00 0.24 H new ATOM 0 HA THR B 87 4.138 1.653 -3.747 1.00 0.24 H new ATOM 0 HB THR B 87 4.775 -0.141 -1.373 1.00 0.25 H new ATOM 0 HG1 THR B 87 2.529 -0.056 -1.531 1.00 0.32 H new ATOM 0 HG21 THR B 87 5.000 2.041 -0.221 1.00 0.28 H new ATOM 0 HG22 THR B 87 6.102 1.938 -1.615 1.00 0.28 H new ATOM 0 HG23 THR B 87 4.599 2.884 -1.736 1.00 0.28 H new ATOM 1059 N ILE B 88 6.185 -0.941 -3.556 1.00 0.23 N ATOM 1060 CA ILE B 88 7.552 -1.377 -3.959 1.00 0.29 C ATOM 1061 C ILE B 88 7.744 -1.100 -5.452 1.00 0.33 C ATOM 1062 O ILE B 88 8.747 -0.556 -5.870 1.00 0.40 O ATOM 1063 CB ILE B 88 7.709 -2.875 -3.694 1.00 0.33 C ATOM 1064 CG1 ILE B 88 7.464 -3.158 -2.209 1.00 0.34 C ATOM 1065 CG2 ILE B 88 9.126 -3.312 -4.069 1.00 0.40 C ATOM 1066 CD1 ILE B 88 7.686 -4.645 -1.931 1.00 0.41 C ATOM 0 H ILE B 88 5.604 -1.665 -3.134 1.00 0.23 H new ATOM 0 HA ILE B 88 8.298 -0.829 -3.383 1.00 0.29 H new ATOM 0 HB ILE B 88 6.987 -3.429 -4.294 1.00 0.33 H new ATOM 0 HG12 ILE B 88 8.138 -2.558 -1.597 1.00 0.34 H new ATOM 0 HG13 ILE B 88 6.448 -2.874 -1.936 1.00 0.34 H new ATOM 0 HG21 ILE B 88 9.239 -4.380 -3.881 1.00 0.40 H new ATOM 0 HG22 ILE B 88 9.302 -3.109 -5.125 1.00 0.40 H new ATOM 0 HG23 ILE B 88 9.848 -2.759 -3.468 1.00 0.40 H new ATOM 0 HD11 ILE B 88 7.512 -4.848 -0.874 1.00 0.41 H new ATOM 0 HD12 ILE B 88 6.994 -5.235 -2.532 1.00 0.41 H new ATOM 0 HD13 ILE B 88 8.710 -4.914 -2.188 1.00 0.41 H new ATOM 1078 N LEU B 89 6.785 -1.470 -6.257 1.00 0.33 N ATOM 1079 CA LEU B 89 6.903 -1.229 -7.722 1.00 0.41 C ATOM 1080 C LEU B 89 7.118 0.270 -7.970 1.00 0.44 C ATOM 1081 O LEU B 89 7.978 0.663 -8.734 1.00 0.51 O ATOM 1082 CB LEU B 89 5.639 -1.758 -8.438 1.00 0.44 C ATOM 1083 CG LEU B 89 4.681 -0.623 -8.829 1.00 0.76 C ATOM 1084 CD1 LEU B 89 5.245 0.138 -10.032 1.00 1.14 C ATOM 1085 CD2 LEU B 89 3.323 -1.219 -9.205 1.00 1.06 C ATOM 0 H LEU B 89 5.924 -1.930 -5.962 1.00 0.33 H new ATOM 0 HA LEU B 89 7.761 -1.765 -8.129 1.00 0.41 H new ATOM 0 HB2 LEU B 89 5.932 -2.309 -9.332 1.00 0.44 H new ATOM 0 HB3 LEU B 89 5.121 -2.461 -7.786 1.00 0.44 H new ATOM 0 HG LEU B 89 4.568 0.061 -7.988 1.00 0.76 H new ATOM 0 HD11 LEU B 89 4.562 0.942 -10.306 1.00 1.14 H new ATOM 0 HD12 LEU B 89 6.217 0.559 -9.773 1.00 1.14 H new ATOM 0 HD13 LEU B 89 5.358 -0.545 -10.874 1.00 1.14 H new ATOM 0 HD21 LEU B 89 2.639 -0.418 -9.484 1.00 1.06 H new ATOM 0 HD22 LEU B 89 3.445 -1.901 -10.047 1.00 1.06 H new ATOM 0 HD23 LEU B 89 2.916 -1.764 -8.353 1.00 1.06 H new ATOM 1097 N LEU B 90 6.346 1.108 -7.332 1.00 0.40 N ATOM 1098 CA LEU B 90 6.516 2.576 -7.538 1.00 0.47 C ATOM 1099 C LEU B 90 7.957 2.961 -7.203 1.00 0.51 C ATOM 1100 O LEU B 90 8.610 3.664 -7.950 1.00 0.60 O ATOM 1101 CB LEU B 90 5.558 3.341 -6.622 1.00 0.47 C ATOM 1102 CG LEU B 90 5.820 4.843 -6.750 1.00 1.14 C ATOM 1103 CD1 LEU B 90 5.812 5.242 -8.227 1.00 2.02 C ATOM 1104 CD2 LEU B 90 4.726 5.618 -6.011 1.00 1.67 C ATOM 0 H LEU B 90 5.608 0.842 -6.680 1.00 0.40 H new ATOM 0 HA LEU B 90 6.296 2.828 -8.575 1.00 0.47 H new ATOM 0 HB2 LEU B 90 4.525 3.117 -6.890 1.00 0.47 H new ATOM 0 HB3 LEU B 90 5.695 3.024 -5.588 1.00 0.47 H new ATOM 0 HG LEU B 90 6.792 5.077 -6.315 1.00 1.14 H new ATOM 0 HD11 LEU B 90 5.999 6.312 -8.316 1.00 2.02 H new ATOM 0 HD12 LEU B 90 6.590 4.693 -8.757 1.00 2.02 H new ATOM 0 HD13 LEU B 90 4.841 5.006 -8.662 1.00 2.02 H new ATOM 0 HD21 LEU B 90 4.913 6.688 -6.102 1.00 1.67 H new ATOM 0 HD22 LEU B 90 3.755 5.381 -6.446 1.00 1.67 H new ATOM 0 HD23 LEU B 90 4.730 5.338 -4.958 1.00 1.67 H new ATOM 1116 N ILE B 91 8.465 2.499 -6.094 1.00 0.47 N ATOM 1117 CA ILE B 91 9.870 2.834 -5.729 1.00 0.57 C ATOM 1118 C ILE B 91 10.790 2.380 -6.857 1.00 0.65 C ATOM 1119 O ILE B 91 11.645 3.117 -7.307 1.00 0.77 O ATOM 1120 CB ILE B 91 10.249 2.112 -4.434 1.00 0.55 C ATOM 1121 CG1 ILE B 91 9.445 2.700 -3.272 1.00 0.51 C ATOM 1122 CG2 ILE B 91 11.743 2.295 -4.163 1.00 0.66 C ATOM 1123 CD1 ILE B 91 9.617 1.818 -2.035 1.00 0.54 C ATOM 0 H ILE B 91 7.970 1.906 -5.427 1.00 0.47 H new ATOM 0 HA ILE B 91 9.970 3.909 -5.579 1.00 0.57 H new ATOM 0 HB ILE B 91 10.027 1.049 -4.532 1.00 0.55 H new ATOM 0 HG12 ILE B 91 9.783 3.714 -3.058 1.00 0.51 H new ATOM 0 HG13 ILE B 91 8.391 2.765 -3.541 1.00 0.51 H new ATOM 0 HG21 ILE B 91 12.011 1.780 -3.240 1.00 0.66 H new ATOM 0 HG22 ILE B 91 12.317 1.878 -4.991 1.00 0.66 H new ATOM 0 HG23 ILE B 91 11.967 3.357 -4.064 1.00 0.66 H new ATOM 0 HD11 ILE B 91 9.045 2.237 -1.207 1.00 0.54 H new ATOM 0 HD12 ILE B 91 9.258 0.812 -2.253 1.00 0.54 H new ATOM 0 HD13 ILE B 91 10.671 1.776 -1.762 1.00 0.54 H new ATOM 1135 N SER B 92 10.616 1.179 -7.335 1.00 0.63 N ATOM 1136 CA SER B 92 11.478 0.707 -8.447 1.00 0.76 C ATOM 1137 C SER B 92 11.334 1.685 -9.612 1.00 0.83 C ATOM 1138 O SER B 92 12.304 2.131 -10.187 1.00 0.95 O ATOM 1139 CB SER B 92 11.033 -0.689 -8.883 1.00 0.74 C ATOM 1140 OG SER B 92 9.801 -1.009 -8.249 1.00 1.53 O ATOM 0 H SER B 92 9.919 0.511 -7.005 1.00 0.63 H new ATOM 0 HA SER B 92 12.518 0.659 -8.126 1.00 0.76 H new ATOM 0 HB2 SER B 92 10.918 -0.725 -9.966 1.00 0.74 H new ATOM 0 HB3 SER B 92 11.793 -1.424 -8.619 1.00 0.74 H new ATOM 0 HG SER B 92 9.061 -0.605 -8.749 1.00 1.53 H new ATOM 1146 N TYR B 93 10.125 2.037 -9.956 1.00 0.77 N ATOM 1147 CA TYR B 93 9.931 3.002 -11.073 1.00 0.87 C ATOM 1148 C TYR B 93 10.679 4.301 -10.753 1.00 0.94 C ATOM 1149 O TYR B 93 11.399 4.832 -11.576 1.00 1.07 O ATOM 1150 CB TYR B 93 8.440 3.298 -11.237 1.00 0.83 C ATOM 1151 CG TYR B 93 8.120 3.463 -12.702 1.00 1.09 C ATOM 1152 CD1 TYR B 93 8.610 2.539 -13.631 1.00 1.74 C ATOM 1153 CD2 TYR B 93 7.334 4.539 -13.131 1.00 1.68 C ATOM 1154 CE1 TYR B 93 8.316 2.690 -14.991 1.00 1.99 C ATOM 1155 CE2 TYR B 93 7.039 4.691 -14.491 1.00 2.03 C ATOM 1156 CZ TYR B 93 7.531 3.766 -15.422 1.00 1.84 C ATOM 1157 OH TYR B 93 7.240 3.915 -16.763 1.00 2.25 O ATOM 0 H TYR B 93 9.269 1.700 -9.515 1.00 0.77 H new ATOM 0 HA TYR B 93 10.319 2.575 -11.998 1.00 0.87 H new ATOM 0 HB2 TYR B 93 7.848 2.487 -10.813 1.00 0.83 H new ATOM 0 HB3 TYR B 93 8.176 4.204 -10.691 1.00 0.83 H new ATOM 0 HD1 TYR B 93 9.215 1.709 -13.299 1.00 1.74 H new ATOM 0 HD2 TYR B 93 6.955 5.252 -12.413 1.00 1.68 H new ATOM 0 HE1 TYR B 93 8.695 1.976 -15.708 1.00 1.99 H new ATOM 0 HE2 TYR B 93 6.432 5.521 -14.823 1.00 2.03 H new ATOM 0 HH TYR B 93 6.684 4.712 -16.891 1.00 2.25 H new ATOM 1167 N GLY B 94 10.519 4.815 -9.560 1.00 0.88 N ATOM 1168 CA GLY B 94 11.223 6.073 -9.187 1.00 0.98 C ATOM 1169 C GLY B 94 12.730 5.885 -9.358 1.00 1.10 C ATOM 1170 O GLY B 94 13.408 6.711 -9.937 1.00 1.24 O ATOM 0 H GLY B 94 9.930 4.415 -8.829 1.00 0.88 H new ATOM 0 HA2 GLY B 94 10.875 6.896 -9.812 1.00 0.98 H new ATOM 0 HA3 GLY B 94 10.994 6.338 -8.155 1.00 0.98 H new ATOM 1174 N ILE B 95 13.262 4.802 -8.859 1.00 1.07 N ATOM 1175 CA ILE B 95 14.730 4.566 -8.999 1.00 1.22 C ATOM 1176 C ILE B 95 15.103 4.589 -10.488 1.00 1.34 C ATOM 1177 O ILE B 95 16.056 5.226 -10.889 1.00 1.50 O ATOM 1178 CB ILE B 95 15.123 3.222 -8.342 1.00 1.20 C ATOM 1179 CG1 ILE B 95 16.463 3.393 -7.622 1.00 1.37 C ATOM 1180 CG2 ILE B 95 15.261 2.107 -9.388 1.00 1.50 C ATOM 1181 CD1 ILE B 95 16.317 2.961 -6.162 1.00 1.81 C ATOM 0 H ILE B 95 12.748 4.074 -8.363 1.00 1.07 H new ATOM 0 HA ILE B 95 15.281 5.355 -8.487 1.00 1.22 H new ATOM 0 HB ILE B 95 14.338 2.941 -7.640 1.00 1.20 H new ATOM 0 HG12 ILE B 95 17.231 2.796 -8.114 1.00 1.37 H new ATOM 0 HG13 ILE B 95 16.786 4.433 -7.674 1.00 1.37 H new ATOM 0 HG21 ILE B 95 15.538 1.176 -8.893 1.00 1.50 H new ATOM 0 HG22 ILE B 95 14.311 1.974 -9.906 1.00 1.50 H new ATOM 0 HG23 ILE B 95 16.032 2.378 -10.109 1.00 1.50 H new ATOM 0 HD11 ILE B 95 17.271 3.083 -5.649 1.00 1.81 H new ATOM 0 HD12 ILE B 95 15.562 3.577 -5.674 1.00 1.81 H new ATOM 0 HD13 ILE B 95 16.014 1.915 -6.121 1.00 1.81 H new ATOM 1193 N ARG B 96 14.353 3.902 -11.309 1.00 1.29 N ATOM 1194 CA ARG B 96 14.662 3.890 -12.766 1.00 1.42 C ATOM 1195 C ARG B 96 14.671 5.328 -13.286 1.00 1.52 C ATOM 1196 O ARG B 96 15.569 5.740 -13.993 1.00 1.68 O ATOM 1197 CB ARG B 96 13.589 3.090 -13.508 1.00 1.36 C ATOM 1198 CG ARG B 96 13.435 1.714 -12.859 1.00 1.61 C ATOM 1199 CD ARG B 96 13.594 0.625 -13.922 1.00 1.77 C ATOM 1200 NE ARG B 96 12.387 0.604 -14.796 1.00 1.70 N ATOM 1201 CZ ARG B 96 12.423 -0.026 -15.939 1.00 2.10 C ATOM 1202 NH1 ARG B 96 13.049 0.502 -16.955 1.00 2.54 N ATOM 1203 NH2 ARG B 96 11.832 -1.183 -16.066 1.00 2.69 N ATOM 0 H ARG B 96 13.541 3.350 -11.032 1.00 1.29 H new ATOM 0 HA ARG B 96 15.636 3.430 -12.931 1.00 1.42 H new ATOM 0 HB2 ARG B 96 12.639 3.624 -13.481 1.00 1.36 H new ATOM 0 HB3 ARG B 96 13.863 2.980 -14.557 1.00 1.36 H new ATOM 0 HG2 ARG B 96 14.182 1.584 -12.076 1.00 1.61 H new ATOM 0 HG3 ARG B 96 12.458 1.632 -12.383 1.00 1.61 H new ATOM 0 HD2 ARG B 96 14.486 0.813 -14.520 1.00 1.77 H new ATOM 0 HD3 ARG B 96 13.728 -0.346 -13.446 1.00 1.77 H new ATOM 0 HE ARG B 96 11.535 1.081 -14.502 1.00 1.70 H new ATOM 0 HH11 ARG B 96 13.510 1.407 -16.856 1.00 2.54 H new ATOM 0 HH12 ARG B 96 13.077 0.010 -17.848 1.00 2.54 H new ATOM 0 HH21 ARG B 96 11.342 -1.595 -15.272 1.00 2.69 H new ATOM 0 HH22 ARG B 96 11.860 -1.675 -16.959 1.00 2.69 H new ATOM 1217 N ARG B 97 13.675 6.093 -12.940 1.00 1.43 N ATOM 1218 CA ARG B 97 13.619 7.505 -13.408 1.00 1.55 C ATOM 1219 C ARG B 97 14.884 8.246 -12.969 1.00 1.67 C ATOM 1220 O ARG B 97 15.505 8.945 -13.746 1.00 1.83 O ATOM 1221 CB ARG B 97 12.388 8.192 -12.812 1.00 1.45 C ATOM 1222 CG ARG B 97 12.114 9.499 -13.561 1.00 1.62 C ATOM 1223 CD ARG B 97 11.139 10.356 -12.748 1.00 1.72 C ATOM 1224 NE ARG B 97 9.748 10.121 -13.229 1.00 2.17 N ATOM 1225 CZ ARG B 97 8.734 10.493 -12.497 1.00 2.50 C ATOM 1226 NH1 ARG B 97 8.476 11.762 -12.333 1.00 3.17 N ATOM 1227 NH2 ARG B 97 7.977 9.595 -11.930 1.00 2.89 N ATOM 0 H ARG B 97 12.895 5.801 -12.352 1.00 1.43 H new ATOM 0 HA ARG B 97 13.553 7.522 -14.496 1.00 1.55 H new ATOM 0 HB2 ARG B 97 11.522 7.533 -12.882 1.00 1.45 H new ATOM 0 HB3 ARG B 97 12.550 8.395 -11.753 1.00 1.45 H new ATOM 0 HG2 ARG B 97 13.046 10.041 -13.721 1.00 1.62 H new ATOM 0 HG3 ARG B 97 11.696 9.286 -14.545 1.00 1.62 H new ATOM 0 HD2 ARG B 97 11.216 10.107 -11.689 1.00 1.72 H new ATOM 0 HD3 ARG B 97 11.396 11.411 -12.847 1.00 1.72 H new ATOM 0 HE ARG B 97 9.589 9.670 -14.130 1.00 2.17 H new ATOM 0 HH11 ARG B 97 9.067 12.464 -12.777 1.00 3.17 H new ATOM 0 HH12 ARG B 97 7.683 12.051 -11.761 1.00 3.17 H new ATOM 0 HH21 ARG B 97 8.178 8.603 -12.059 1.00 2.89 H new ATOM 0 HH22 ARG B 97 7.184 9.884 -11.357 1.00 2.89 H new ATOM 1241 N LEU B 98 15.272 8.106 -11.731 1.00 1.62 N ATOM 1242 CA LEU B 98 16.496 8.811 -11.253 1.00 1.76 C ATOM 1243 C LEU B 98 17.683 8.410 -12.128 1.00 1.92 C ATOM 1244 O LEU B 98 18.441 9.244 -12.581 1.00 2.09 O ATOM 1245 CB LEU B 98 16.778 8.419 -9.802 1.00 1.69 C ATOM 1246 CG LEU B 98 16.919 9.682 -8.952 1.00 1.72 C ATOM 1247 CD1 LEU B 98 17.070 9.294 -7.480 1.00 1.72 C ATOM 1248 CD2 LEU B 98 18.157 10.463 -9.404 1.00 2.01 C ATOM 0 H LEU B 98 14.796 7.536 -11.031 1.00 1.62 H new ATOM 0 HA LEU B 98 16.343 9.889 -11.314 1.00 1.76 H new ATOM 0 HB2 LEU B 98 15.969 7.798 -9.418 1.00 1.69 H new ATOM 0 HB3 LEU B 98 17.690 7.825 -9.745 1.00 1.69 H new ATOM 0 HG LEU B 98 16.031 10.303 -9.073 1.00 1.72 H new ATOM 0 HD11 LEU B 98 17.170 10.195 -6.875 1.00 1.72 H new ATOM 0 HD12 LEU B 98 16.190 8.737 -7.158 1.00 1.72 H new ATOM 0 HD13 LEU B 98 17.957 8.673 -7.357 1.00 1.72 H new ATOM 0 HD21 LEU B 98 18.260 11.364 -8.799 1.00 2.01 H new ATOM 0 HD22 LEU B 98 19.044 9.841 -9.282 1.00 2.01 H new ATOM 0 HD23 LEU B 98 18.050 10.740 -10.453 1.00 2.01 H new ATOM 1260 N ILE B 99 17.846 7.141 -12.375 1.00 1.89 N ATOM 1261 CA ILE B 99 18.981 6.692 -13.228 1.00 2.07 C ATOM 1262 C ILE B 99 18.708 7.092 -14.679 1.00 2.17 C ATOM 1263 O ILE B 99 19.609 7.186 -15.488 1.00 2.50 O ATOM 1264 CB ILE B 99 19.112 5.173 -13.136 1.00 2.14 C ATOM 1265 CG1 ILE B 99 17.798 4.526 -13.581 1.00 2.13 C ATOM 1266 CG2 ILE B 99 19.413 4.774 -11.691 1.00 2.25 C ATOM 1267 CD1 ILE B 99 18.014 3.026 -13.791 1.00 2.38 C ATOM 0 H ILE B 99 17.244 6.396 -12.024 1.00 1.89 H new ATOM 0 HA ILE B 99 19.905 7.158 -12.887 1.00 2.07 H new ATOM 0 HB ILE B 99 19.923 4.836 -13.781 1.00 2.14 H new ATOM 0 HG12 ILE B 99 17.026 4.691 -12.830 1.00 2.13 H new ATOM 0 HG13 ILE B 99 17.448 4.987 -14.505 1.00 2.13 H new ATOM 0 HG21 ILE B 99 19.507 3.690 -11.625 1.00 2.25 H new ATOM 0 HG22 ILE B 99 20.346 5.239 -11.372 1.00 2.25 H new ATOM 0 HG23 ILE B 99 18.601 5.108 -11.045 1.00 2.25 H new ATOM 0 HD11 ILE B 99 17.079 2.565 -14.108 1.00 2.38 H new ATOM 0 HD12 ILE B 99 18.773 2.872 -14.558 1.00 2.38 H new ATOM 0 HD13 ILE B 99 18.344 2.572 -12.857 1.00 2.38 H new ATOM 1279 N LYS B 100 17.468 7.330 -15.010 1.00 2.25 N ATOM 1280 CA LYS B 100 17.131 7.725 -16.406 1.00 2.60 C ATOM 1281 C LYS B 100 16.564 9.146 -16.406 1.00 2.97 C ATOM 1282 O LYS B 100 15.367 9.347 -16.471 1.00 3.27 O ATOM 1283 CB LYS B 100 16.089 6.757 -16.969 1.00 2.80 C ATOM 1284 CG LYS B 100 16.473 6.368 -18.399 1.00 3.38 C ATOM 1285 CD LYS B 100 15.722 7.258 -19.392 1.00 3.94 C ATOM 1286 CE LYS B 100 14.869 6.387 -20.316 1.00 4.56 C ATOM 1287 NZ LYS B 100 13.523 6.187 -19.709 1.00 5.22 N ATOM 0 H LYS B 100 16.674 7.268 -14.373 1.00 2.25 H new ATOM 0 HA LYS B 100 18.028 7.692 -17.024 1.00 2.60 H new ATOM 0 HB2 LYS B 100 16.028 5.867 -16.343 1.00 2.80 H new ATOM 0 HB3 LYS B 100 15.103 7.222 -16.960 1.00 2.80 H new ATOM 0 HG2 LYS B 100 17.548 6.476 -18.540 1.00 3.38 H new ATOM 0 HG3 LYS B 100 16.231 5.320 -18.579 1.00 3.38 H new ATOM 0 HD2 LYS B 100 15.089 7.966 -18.856 1.00 3.94 H new ATOM 0 HD3 LYS B 100 16.430 7.844 -19.978 1.00 3.94 H new ATOM 0 HE2 LYS B 100 14.772 6.861 -21.293 1.00 4.56 H new ATOM 0 HE3 LYS B 100 15.354 5.424 -20.476 1.00 4.56 H new ATOM 0 HZ1 LYS B 100 12.943 5.595 -20.337 1.00 5.22 H new ATOM 0 HZ2 LYS B 100 13.624 5.717 -18.787 1.00 5.22 H new ATOM 0 HZ3 LYS B 100 13.060 7.109 -19.579 1.00 5.22 H new ATOM 1301 N LYS B 101 17.414 10.134 -16.335 1.00 3.27 N ATOM 1302 CA LYS B 101 16.923 11.540 -16.331 1.00 3.83 C ATOM 1303 C LYS B 101 18.116 12.498 -16.338 1.00 4.00 C ATOM 1304 O LYS B 101 18.763 12.612 -15.310 1.00 4.36 O ATOM 1305 CB LYS B 101 16.081 11.786 -15.075 1.00 4.43 C ATOM 1306 CG LYS B 101 15.518 13.208 -15.112 1.00 5.03 C ATOM 1307 CD LYS B 101 14.989 13.585 -13.727 1.00 5.77 C ATOM 1308 CE LYS B 101 13.996 14.742 -13.858 1.00 6.68 C ATOM 1309 NZ LYS B 101 14.498 15.920 -13.096 1.00 7.38 N ATOM 1310 OXT LYS B 101 18.361 13.101 -17.370 1.00 4.28 O ATOM 0 H LYS B 101 18.427 10.028 -16.280 1.00 3.27 H new ATOM 0 HA LYS B 101 16.312 11.712 -17.217 1.00 3.83 H new ATOM 0 HB2 LYS B 101 15.268 11.062 -15.021 1.00 4.43 H new ATOM 0 HB3 LYS B 101 16.691 11.647 -14.182 1.00 4.43 H new ATOM 0 HG2 LYS B 101 16.294 13.909 -15.420 1.00 5.03 H new ATOM 0 HG3 LYS B 101 14.718 13.274 -15.849 1.00 5.03 H new ATOM 0 HD2 LYS B 101 14.503 12.725 -13.265 1.00 5.77 H new ATOM 0 HD3 LYS B 101 15.815 13.872 -13.076 1.00 5.77 H new ATOM 0 HE2 LYS B 101 13.864 15.004 -14.908 1.00 6.68 H new ATOM 0 HE3 LYS B 101 13.019 14.441 -13.480 1.00 6.68 H new ATOM 0 HZ1 LYS B 101 13.822 16.705 -13.186 1.00 7.38 H new ATOM 0 HZ2 LYS B 101 14.602 15.666 -12.093 1.00 7.38 H new ATOM 0 HZ3 LYS B 101 15.421 16.212 -13.477 1.00 7.38 H new TER 1324 LYS B 101