USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=11 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= -0.787! C(o=-0.79!,f=-1.5!) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.312 X(o=-0.31,f=-0.16) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -139:sc= -1.56 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot -22:sc= -0.761 USER MOD Single : A 92 SER OG : rot 75:sc= 0.0951 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= -8.27! C(o=-8.3!,f=-14!) USER MOD Single : B 66 HIS : no HD1:sc= -1.71 X(o=-1.7,f=-1.5) USER MOD Single : B 67 HIS : no HE2:sc= 0.148 K(o=0.15,f=-0.75) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 74 THR OG1 : rot 77:sc= 0.514 USER MOD Single : B 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 THR OG1 : rot 79:sc= -0.24 USER MOD Single : B 92 SER OG : rot 180:sc= 0.0206 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 -18.951 -20.132 16.121 1.00 18.74 N ATOM 2 CA VAL A 62 -18.913 -21.362 15.281 1.00 18.11 C ATOM 3 C VAL A 62 -18.563 -20.982 13.840 1.00 17.30 C ATOM 4 O VAL A 62 -17.957 -21.747 13.117 1.00 17.26 O ATOM 5 CB VAL A 62 -20.282 -22.043 15.317 1.00 18.42 C ATOM 6 CG1 VAL A 62 -20.351 -23.113 14.226 1.00 18.58 C ATOM 7 CG2 VAL A 62 -20.487 -22.697 16.685 1.00 18.59 C ATOM 0 HA VAL A 62 -18.158 -22.047 15.667 1.00 18.11 H new ATOM 0 HB VAL A 62 -21.062 -21.301 15.146 1.00 18.42 H new ATOM 0 HG11 VAL A 62 -21.327 -23.598 14.253 1.00 18.58 H new ATOM 0 HG12 VAL A 62 -20.203 -22.649 13.251 1.00 18.58 H new ATOM 0 HG13 VAL A 62 -19.572 -23.856 14.396 1.00 18.58 H new ATOM 0 HG21 VAL A 62 -21.462 -23.183 16.713 1.00 18.59 H new ATOM 0 HG22 VAL A 62 -19.707 -23.439 16.854 1.00 18.59 H new ATOM 0 HG23 VAL A 62 -20.438 -21.935 17.463 1.00 18.59 H new ATOM 19 N GLN A 63 -18.936 -19.804 13.420 1.00 16.78 N ATOM 20 CA GLN A 63 -18.621 -19.375 12.029 1.00 16.11 C ATOM 21 C GLN A 63 -19.487 -20.167 11.045 1.00 15.69 C ATOM 22 O GLN A 63 -20.192 -21.080 11.427 1.00 15.68 O ATOM 23 CB GLN A 63 -17.136 -19.643 11.744 1.00 16.10 C ATOM 24 CG GLN A 63 -16.663 -18.827 10.534 1.00 15.49 C ATOM 25 CD GLN A 63 -17.151 -17.382 10.656 1.00 15.09 C ATOM 26 OE1 GLN A 63 -17.931 -16.921 9.846 1.00 15.39 O ATOM 27 NE2 GLN A 63 -16.724 -16.643 11.643 1.00 14.56 N ATOM 0 H GLN A 63 -19.445 -19.121 13.980 1.00 16.78 H new ATOM 0 HA GLN A 63 -18.827 -18.311 11.914 1.00 16.11 H new ATOM 0 HB2 GLN A 63 -16.540 -19.385 12.619 1.00 16.10 H new ATOM 0 HB3 GLN A 63 -16.982 -20.706 11.556 1.00 16.10 H new ATOM 0 HG2 GLN A 63 -15.575 -18.848 10.473 1.00 15.49 H new ATOM 0 HG3 GLN A 63 -17.043 -19.272 9.614 1.00 15.49 H new ATOM 0 HE21 GLN A 63 -16.069 -17.029 12.323 1.00 14.56 H new ATOM 0 HE22 GLN A 63 -17.045 -15.679 11.734 1.00 14.56 H new ATOM 36 N LEU A 64 -19.445 -19.817 9.785 1.00 15.49 N ATOM 37 CA LEU A 64 -20.264 -20.542 8.770 1.00 15.26 C ATOM 38 C LEU A 64 -21.699 -20.010 8.794 1.00 14.77 C ATOM 39 O LEU A 64 -22.525 -20.392 7.988 1.00 14.94 O ATOM 40 CB LEU A 64 -20.270 -22.040 9.080 1.00 15.58 C ATOM 41 CG LEU A 64 -20.058 -22.830 7.788 1.00 15.97 C ATOM 42 CD1 LEU A 64 -18.577 -23.185 7.642 1.00 16.71 C ATOM 43 CD2 LEU A 64 -20.888 -24.113 7.836 1.00 16.05 C ATOM 0 H LEU A 64 -18.875 -19.056 9.415 1.00 15.49 H new ATOM 0 HA LEU A 64 -19.832 -20.382 7.782 1.00 15.26 H new ATOM 0 HB2 LEU A 64 -19.484 -22.277 9.797 1.00 15.58 H new ATOM 0 HB3 LEU A 64 -21.217 -22.323 9.540 1.00 15.58 H new ATOM 0 HG LEU A 64 -20.370 -22.225 6.937 1.00 15.97 H new ATOM 0 HD11 LEU A 64 -18.427 -23.748 6.721 1.00 16.71 H new ATOM 0 HD12 LEU A 64 -17.985 -22.270 7.609 1.00 16.71 H new ATOM 0 HD13 LEU A 64 -18.262 -23.790 8.492 1.00 16.71 H new ATOM 0 HD21 LEU A 64 -20.738 -24.678 6.916 1.00 16.05 H new ATOM 0 HD22 LEU A 64 -20.575 -24.717 8.688 1.00 16.05 H new ATOM 0 HD23 LEU A 64 -21.943 -23.860 7.939 1.00 16.05 H new ATOM 55 N ALA A 65 -22.003 -19.130 9.708 1.00 14.32 N ATOM 56 CA ALA A 65 -23.383 -18.575 9.774 1.00 14.03 C ATOM 57 C ALA A 65 -23.441 -17.270 8.976 1.00 13.34 C ATOM 58 O ALA A 65 -24.478 -16.885 8.473 1.00 13.29 O ATOM 59 CB ALA A 65 -23.756 -18.305 11.234 1.00 14.31 C ATOM 0 H ALA A 65 -21.356 -18.772 10.411 1.00 14.32 H new ATOM 0 HA ALA A 65 -24.087 -19.291 9.351 1.00 14.03 H new ATOM 0 HB1 ALA A 65 -24.766 -17.899 11.282 1.00 14.31 H new ATOM 0 HB2 ALA A 65 -23.712 -19.236 11.799 1.00 14.31 H new ATOM 0 HB3 ALA A 65 -23.056 -17.588 11.662 1.00 14.31 H new ATOM 65 N HIS A 66 -22.333 -16.591 8.852 1.00 12.98 N ATOM 66 CA HIS A 66 -22.321 -15.314 8.083 1.00 12.48 C ATOM 67 C HIS A 66 -23.383 -14.364 8.642 1.00 11.62 C ATOM 68 O HIS A 66 -24.200 -14.740 9.460 1.00 11.76 O ATOM 69 CB HIS A 66 -22.618 -15.605 6.611 1.00 12.81 C ATOM 70 CG HIS A 66 -21.339 -15.555 5.824 1.00 13.36 C ATOM 71 ND1 HIS A 66 -20.866 -14.381 5.256 1.00 13.57 N ATOM 72 CD2 HIS A 66 -20.421 -16.524 5.503 1.00 13.93 C ATOM 73 CE1 HIS A 66 -19.711 -14.672 4.629 1.00 14.23 C ATOM 74 NE2 HIS A 66 -19.394 -15.964 4.748 1.00 14.47 N ATOM 0 H HIS A 66 -21.435 -16.866 9.250 1.00 12.98 H new ATOM 0 HA HIS A 66 -21.340 -14.847 8.172 1.00 12.48 H new ATOM 0 HB2 HIS A 66 -23.082 -16.586 6.509 1.00 12.81 H new ATOM 0 HB3 HIS A 66 -23.327 -14.875 6.220 1.00 12.81 H new ATOM 0 HD2 HIS A 66 -20.486 -17.563 5.792 1.00 13.93 H new ATOM 0 HE1 HIS A 66 -19.113 -13.949 4.095 1.00 14.23 H new ATOM 0 HE2 HIS A 66 -18.575 -16.439 4.367 1.00 14.47 H new ATOM 82 N HIS A 67 -23.375 -13.133 8.207 1.00 10.90 N ATOM 83 CA HIS A 67 -24.381 -12.154 8.710 1.00 10.21 C ATOM 84 C HIS A 67 -24.685 -11.134 7.611 1.00 9.43 C ATOM 85 O HIS A 67 -25.122 -10.032 7.877 1.00 9.32 O ATOM 86 CB HIS A 67 -23.817 -11.429 9.934 1.00 10.37 C ATOM 87 CG HIS A 67 -24.833 -11.449 11.045 1.00 10.53 C ATOM 88 ND1 HIS A 67 -24.466 -11.416 12.382 1.00 10.58 N ATOM 89 CD2 HIS A 67 -26.205 -11.498 11.034 1.00 10.88 C ATOM 90 CE1 HIS A 67 -25.595 -11.445 13.112 1.00 10.97 C ATOM 91 NE2 HIS A 67 -26.684 -11.496 12.340 1.00 11.15 N ATOM 0 H HIS A 67 -22.714 -12.763 7.524 1.00 10.90 H new ATOM 0 HA HIS A 67 -25.296 -12.678 8.987 1.00 10.21 H new ATOM 0 HB2 HIS A 67 -22.895 -11.910 10.262 1.00 10.37 H new ATOM 0 HB3 HIS A 67 -23.565 -10.400 9.676 1.00 10.37 H new ATOM 0 HD2 HIS A 67 -26.819 -11.533 10.146 1.00 10.88 H new ATOM 0 HE1 HIS A 67 -25.618 -11.429 14.192 1.00 10.97 H new ATOM 0 HE2 HIS A 67 -27.657 -11.527 12.643 1.00 11.15 H new ATOM 99 N PHE A 68 -24.455 -11.492 6.377 1.00 9.11 N ATOM 100 CA PHE A 68 -24.725 -10.542 5.262 1.00 8.55 C ATOM 101 C PHE A 68 -24.048 -9.203 5.560 1.00 7.46 C ATOM 102 O PHE A 68 -23.347 -9.057 6.542 1.00 7.39 O ATOM 103 CB PHE A 68 -26.234 -10.332 5.121 1.00 8.98 C ATOM 104 CG PHE A 68 -26.717 -11.010 3.862 1.00 9.76 C ATOM 105 CD1 PHE A 68 -26.279 -12.302 3.552 1.00 10.19 C ATOM 106 CD2 PHE A 68 -27.603 -10.345 3.005 1.00 10.29 C ATOM 107 CE1 PHE A 68 -26.727 -12.931 2.384 1.00 11.10 C ATOM 108 CE2 PHE A 68 -28.051 -10.974 1.837 1.00 11.19 C ATOM 109 CZ PHE A 68 -27.613 -12.268 1.526 1.00 11.57 C ATOM 0 H PHE A 68 -24.092 -12.402 6.093 1.00 9.11 H new ATOM 0 HA PHE A 68 -24.329 -10.951 4.332 1.00 8.55 H new ATOM 0 HB2 PHE A 68 -26.752 -10.740 5.989 1.00 8.98 H new ATOM 0 HB3 PHE A 68 -26.463 -9.267 5.085 1.00 8.98 H new ATOM 0 HD1 PHE A 68 -25.596 -12.814 4.213 1.00 10.19 H new ATOM 0 HD2 PHE A 68 -27.940 -9.348 3.245 1.00 10.29 H new ATOM 0 HE1 PHE A 68 -26.389 -13.928 2.145 1.00 11.10 H new ATOM 0 HE2 PHE A 68 -28.734 -10.462 1.176 1.00 11.19 H new ATOM 0 HZ PHE A 68 -27.958 -12.754 0.625 1.00 11.57 H new ATOM 119 N SER A 69 -24.249 -8.225 4.720 1.00 6.86 N ATOM 120 CA SER A 69 -23.611 -6.900 4.959 1.00 6.01 C ATOM 121 C SER A 69 -22.093 -7.075 5.022 1.00 5.07 C ATOM 122 O SER A 69 -21.521 -7.239 6.081 1.00 5.28 O ATOM 123 CB SER A 69 -24.114 -6.325 6.284 1.00 6.54 C ATOM 124 OG SER A 69 -25.397 -5.743 6.087 1.00 7.08 O ATOM 0 H SER A 69 -24.826 -8.286 3.881 1.00 6.86 H new ATOM 0 HA SER A 69 -23.867 -6.218 4.148 1.00 6.01 H new ATOM 0 HB2 SER A 69 -24.170 -7.111 7.037 1.00 6.54 H new ATOM 0 HB3 SER A 69 -23.416 -5.576 6.657 1.00 6.54 H new ATOM 0 HG SER A 69 -25.723 -5.375 6.935 1.00 7.08 H new ATOM 130 N GLU A 70 -21.435 -7.048 3.895 1.00 4.41 N ATOM 131 CA GLU A 70 -19.956 -7.219 3.892 1.00 3.84 C ATOM 132 C GLU A 70 -19.340 -6.347 2.791 1.00 2.84 C ATOM 133 O GLU A 70 -19.220 -6.776 1.661 1.00 3.00 O ATOM 134 CB GLU A 70 -19.615 -8.687 3.629 1.00 4.55 C ATOM 135 CG GLU A 70 -18.640 -9.187 4.698 1.00 5.41 C ATOM 136 CD GLU A 70 -18.140 -10.581 4.319 1.00 6.00 C ATOM 137 OE1 GLU A 70 -18.919 -11.515 4.415 1.00 6.28 O ATOM 138 OE2 GLU A 70 -16.985 -10.691 3.940 1.00 6.49 O ATOM 0 H GLU A 70 -21.859 -6.915 2.977 1.00 4.41 H new ATOM 0 HA GLU A 70 -19.554 -6.918 4.859 1.00 3.84 H new ATOM 0 HB2 GLU A 70 -20.523 -9.290 3.640 1.00 4.55 H new ATOM 0 HB3 GLU A 70 -19.172 -8.796 2.639 1.00 4.55 H new ATOM 0 HG2 GLU A 70 -17.799 -8.499 4.789 1.00 5.41 H new ATOM 0 HG3 GLU A 70 -19.133 -9.217 5.670 1.00 5.41 H new ATOM 145 N PRO A 71 -18.964 -5.148 3.159 1.00 2.18 N ATOM 146 CA PRO A 71 -18.352 -4.195 2.217 1.00 1.51 C ATOM 147 C PRO A 71 -17.073 -4.794 1.624 1.00 1.23 C ATOM 148 O PRO A 71 -16.002 -4.674 2.186 1.00 1.13 O ATOM 149 CB PRO A 71 -18.031 -2.956 3.062 1.00 1.87 C ATOM 150 CG PRO A 71 -18.520 -3.232 4.508 1.00 2.49 C ATOM 151 CD PRO A 71 -19.117 -4.647 4.537 1.00 2.65 C ATOM 0 HA PRO A 71 -19.007 -3.955 1.380 1.00 1.51 H new ATOM 0 HB2 PRO A 71 -16.960 -2.754 3.053 1.00 1.87 H new ATOM 0 HB3 PRO A 71 -18.526 -2.075 2.653 1.00 1.87 H new ATOM 0 HG2 PRO A 71 -17.693 -3.151 5.213 1.00 2.49 H new ATOM 0 HG3 PRO A 71 -19.266 -2.496 4.806 1.00 2.49 H new ATOM 0 HD2 PRO A 71 -18.592 -5.283 5.250 1.00 2.65 H new ATOM 0 HD3 PRO A 71 -20.165 -4.628 4.837 1.00 2.65 H new ATOM 159 N GLU A 72 -17.179 -5.442 0.497 1.00 1.29 N ATOM 160 CA GLU A 72 -15.975 -6.056 -0.129 1.00 1.13 C ATOM 161 C GLU A 72 -15.028 -4.959 -0.622 1.00 1.00 C ATOM 162 O GLU A 72 -14.058 -4.623 0.030 1.00 0.97 O ATOM 163 CB GLU A 72 -16.407 -6.928 -1.311 1.00 1.32 C ATOM 164 CG GLU A 72 -15.173 -7.539 -1.974 1.00 1.94 C ATOM 165 CD GLU A 72 -15.609 -8.489 -3.090 1.00 2.47 C ATOM 166 OE1 GLU A 72 -16.756 -8.904 -3.074 1.00 3.01 O ATOM 167 OE2 GLU A 72 -14.789 -8.785 -3.944 1.00 2.89 O ATOM 0 H GLU A 72 -18.049 -5.573 -0.018 1.00 1.29 H new ATOM 0 HA GLU A 72 -15.458 -6.669 0.609 1.00 1.13 H new ATOM 0 HB2 GLU A 72 -17.077 -7.717 -0.969 1.00 1.32 H new ATOM 0 HB3 GLU A 72 -16.962 -6.330 -2.034 1.00 1.32 H new ATOM 0 HG2 GLU A 72 -14.538 -6.751 -2.380 1.00 1.94 H new ATOM 0 HG3 GLU A 72 -14.580 -8.078 -1.235 1.00 1.94 H new ATOM 174 N ILE A 73 -15.293 -4.403 -1.772 1.00 0.99 N ATOM 175 CA ILE A 73 -14.407 -3.338 -2.312 1.00 0.91 C ATOM 176 C ILE A 73 -14.070 -2.326 -1.213 1.00 0.80 C ATOM 177 O ILE A 73 -13.004 -1.742 -1.203 1.00 0.74 O ATOM 178 CB ILE A 73 -15.118 -2.632 -3.471 1.00 1.03 C ATOM 179 CG1 ILE A 73 -14.082 -1.902 -4.317 1.00 1.05 C ATOM 180 CG2 ILE A 73 -16.140 -1.626 -2.930 1.00 1.28 C ATOM 181 CD1 ILE A 73 -13.970 -2.584 -5.681 1.00 1.48 C ATOM 0 H ILE A 73 -16.089 -4.643 -2.362 1.00 0.99 H new ATOM 0 HA ILE A 73 -13.480 -3.785 -2.670 1.00 0.91 H new ATOM 0 HB ILE A 73 -15.641 -3.371 -4.078 1.00 1.03 H new ATOM 0 HG12 ILE A 73 -14.369 -0.858 -4.442 1.00 1.05 H new ATOM 0 HG13 ILE A 73 -13.115 -1.909 -3.814 1.00 1.05 H new ATOM 0 HG21 ILE A 73 -16.639 -1.131 -3.763 1.00 1.28 H new ATOM 0 HG22 ILE A 73 -16.879 -2.149 -2.323 1.00 1.28 H new ATOM 0 HG23 ILE A 73 -15.630 -0.882 -2.318 1.00 1.28 H new ATOM 0 HD11 ILE A 73 -13.229 -2.064 -6.288 1.00 1.48 H new ATOM 0 HD12 ILE A 73 -13.664 -3.621 -5.545 1.00 1.48 H new ATOM 0 HD13 ILE A 73 -14.937 -2.554 -6.183 1.00 1.48 H new ATOM 193 N THR A 74 -14.967 -2.107 -0.291 1.00 0.81 N ATOM 194 CA THR A 74 -14.688 -1.126 0.795 1.00 0.76 C ATOM 195 C THR A 74 -13.580 -1.659 1.704 1.00 0.68 C ATOM 196 O THR A 74 -12.644 -0.956 2.032 1.00 0.62 O ATOM 197 CB THR A 74 -15.957 -0.898 1.618 1.00 0.86 C ATOM 198 OG1 THR A 74 -17.062 -1.497 0.955 1.00 1.35 O ATOM 199 CG2 THR A 74 -16.202 0.603 1.773 1.00 1.19 C ATOM 0 H THR A 74 -15.878 -2.563 -0.243 1.00 0.81 H new ATOM 0 HA THR A 74 -14.367 -0.183 0.352 1.00 0.76 H new ATOM 0 HB THR A 74 -15.839 -1.347 2.604 1.00 0.86 H new ATOM 0 HG1 THR A 74 -17.841 -0.905 1.017 1.00 1.35 H new ATOM 0 HG21 THR A 74 -17.106 0.765 2.359 1.00 1.19 H new ATOM 0 HG22 THR A 74 -15.353 1.060 2.281 1.00 1.19 H new ATOM 0 HG23 THR A 74 -16.322 1.056 0.789 1.00 1.19 H new ATOM 207 N LEU A 75 -13.670 -2.895 2.114 1.00 0.72 N ATOM 208 CA LEU A 75 -12.609 -3.452 3.001 1.00 0.69 C ATOM 209 C LEU A 75 -11.354 -3.719 2.178 1.00 0.58 C ATOM 210 O LEU A 75 -10.262 -3.357 2.567 1.00 0.50 O ATOM 211 CB LEU A 75 -13.075 -4.771 3.632 1.00 0.82 C ATOM 212 CG LEU A 75 -13.741 -4.522 4.990 1.00 0.88 C ATOM 213 CD1 LEU A 75 -13.851 -5.851 5.739 1.00 0.87 C ATOM 214 CD2 LEU A 75 -12.900 -3.550 5.821 1.00 1.02 C ATOM 0 H LEU A 75 -14.425 -3.538 1.876 1.00 0.72 H new ATOM 0 HA LEU A 75 -12.399 -2.731 3.791 1.00 0.69 H new ATOM 0 HB2 LEU A 75 -13.777 -5.270 2.964 1.00 0.82 H new ATOM 0 HB3 LEU A 75 -12.223 -5.440 3.757 1.00 0.82 H new ATOM 0 HG LEU A 75 -14.730 -4.092 4.831 1.00 0.88 H new ATOM 0 HD11 LEU A 75 -14.324 -5.685 6.707 1.00 0.87 H new ATOM 0 HD12 LEU A 75 -14.453 -6.548 5.156 1.00 0.87 H new ATOM 0 HD13 LEU A 75 -12.855 -6.268 5.888 1.00 0.87 H new ATOM 0 HD21 LEU A 75 -13.384 -3.381 6.783 1.00 1.02 H new ATOM 0 HD22 LEU A 75 -11.908 -3.973 5.982 1.00 1.02 H new ATOM 0 HD23 LEU A 75 -12.808 -2.603 5.290 1.00 1.02 H new ATOM 226 N ILE A 76 -11.489 -4.348 1.043 1.00 0.62 N ATOM 227 CA ILE A 76 -10.280 -4.618 0.225 1.00 0.57 C ATOM 228 C ILE A 76 -9.587 -3.289 -0.073 1.00 0.45 C ATOM 229 O ILE A 76 -8.395 -3.148 0.107 1.00 0.38 O ATOM 230 CB ILE A 76 -10.690 -5.292 -1.089 1.00 0.69 C ATOM 231 CG1 ILE A 76 -11.045 -6.757 -0.823 1.00 0.91 C ATOM 232 CG2 ILE A 76 -9.529 -5.225 -2.084 1.00 0.76 C ATOM 233 CD1 ILE A 76 -11.440 -7.432 -2.138 1.00 1.10 C ATOM 0 H ILE A 76 -12.371 -4.681 0.653 1.00 0.62 H new ATOM 0 HA ILE A 76 -9.602 -5.278 0.766 1.00 0.57 H new ATOM 0 HB ILE A 76 -11.556 -4.776 -1.504 1.00 0.69 H new ATOM 0 HG12 ILE A 76 -10.195 -7.273 -0.378 1.00 0.91 H new ATOM 0 HG13 ILE A 76 -11.866 -6.820 -0.109 1.00 0.91 H new ATOM 0 HG21 ILE A 76 -9.822 -5.705 -3.018 1.00 0.76 H new ATOM 0 HG22 ILE A 76 -9.274 -4.183 -2.276 1.00 0.76 H new ATOM 0 HG23 ILE A 76 -8.663 -5.740 -1.668 1.00 0.76 H new ATOM 0 HD11 ILE A 76 -11.693 -8.475 -1.950 1.00 1.10 H new ATOM 0 HD12 ILE A 76 -12.303 -6.921 -2.565 1.00 1.10 H new ATOM 0 HD13 ILE A 76 -10.606 -7.382 -2.838 1.00 1.10 H new ATOM 245 N ILE A 77 -10.329 -2.307 -0.507 1.00 0.44 N ATOM 246 CA ILE A 77 -9.705 -0.988 -0.788 1.00 0.36 C ATOM 247 C ILE A 77 -9.029 -0.467 0.481 1.00 0.28 C ATOM 248 O ILE A 77 -7.895 -0.032 0.462 1.00 0.25 O ATOM 249 CB ILE A 77 -10.784 -0.001 -1.237 1.00 0.39 C ATOM 250 CG1 ILE A 77 -11.251 -0.367 -2.648 1.00 1.21 C ATOM 251 CG2 ILE A 77 -10.210 1.417 -1.242 1.00 1.18 C ATOM 252 CD1 ILE A 77 -10.145 -0.043 -3.652 1.00 1.58 C ATOM 0 H ILE A 77 -11.333 -2.362 -0.677 1.00 0.44 H new ATOM 0 HA ILE A 77 -8.961 -1.095 -1.578 1.00 0.36 H new ATOM 0 HB ILE A 77 -11.628 -0.047 -0.549 1.00 0.39 H new ATOM 0 HG12 ILE A 77 -11.501 -1.427 -2.696 1.00 1.21 H new ATOM 0 HG13 ILE A 77 -12.157 0.186 -2.898 1.00 1.21 H new ATOM 0 HG21 ILE A 77 -10.979 2.120 -1.562 1.00 1.18 H new ATOM 0 HG22 ILE A 77 -9.875 1.678 -0.238 1.00 1.18 H new ATOM 0 HG23 ILE A 77 -9.366 1.465 -1.930 1.00 1.18 H new ATOM 0 HD11 ILE A 77 -10.478 -0.304 -4.657 1.00 1.58 H new ATOM 0 HD12 ILE A 77 -9.916 1.022 -3.610 1.00 1.58 H new ATOM 0 HD13 ILE A 77 -9.251 -0.616 -3.406 1.00 1.58 H new ATOM 264 N PHE A 78 -9.724 -0.508 1.590 1.00 0.31 N ATOM 265 CA PHE A 78 -9.127 -0.015 2.866 1.00 0.32 C ATOM 266 C PHE A 78 -7.841 -0.782 3.173 1.00 0.30 C ATOM 267 O PHE A 78 -6.824 -0.204 3.497 1.00 0.30 O ATOM 268 CB PHE A 78 -10.121 -0.215 4.014 1.00 0.41 C ATOM 269 CG PHE A 78 -11.084 0.948 4.061 1.00 0.80 C ATOM 270 CD1 PHE A 78 -11.364 1.675 2.898 1.00 1.52 C ATOM 271 CD2 PHE A 78 -11.694 1.300 5.271 1.00 1.66 C ATOM 272 CE1 PHE A 78 -12.256 2.754 2.945 1.00 1.97 C ATOM 273 CE2 PHE A 78 -12.587 2.378 5.318 1.00 2.09 C ATOM 274 CZ PHE A 78 -12.867 3.105 4.155 1.00 1.95 C ATOM 0 H PHE A 78 -10.678 -0.861 1.666 1.00 0.31 H new ATOM 0 HA PHE A 78 -8.898 1.046 2.761 1.00 0.32 H new ATOM 0 HB2 PHE A 78 -10.668 -1.148 3.876 1.00 0.41 H new ATOM 0 HB3 PHE A 78 -9.587 -0.296 4.961 1.00 0.41 H new ATOM 0 HD1 PHE A 78 -10.892 1.404 1.965 1.00 1.52 H new ATOM 0 HD2 PHE A 78 -11.476 0.740 6.168 1.00 1.66 H new ATOM 0 HE1 PHE A 78 -12.472 3.315 2.048 1.00 1.97 H new ATOM 0 HE2 PHE A 78 -13.059 2.648 6.251 1.00 2.09 H new ATOM 0 HZ PHE A 78 -13.555 3.937 4.191 1.00 1.95 H new ATOM 284 N GLY A 79 -7.882 -2.085 3.080 1.00 0.31 N ATOM 285 CA GLY A 79 -6.667 -2.888 3.374 1.00 0.32 C ATOM 286 C GLY A 79 -5.521 -2.449 2.465 1.00 0.26 C ATOM 287 O GLY A 79 -4.413 -2.228 2.910 1.00 0.26 O ATOM 0 H GLY A 79 -8.706 -2.624 2.813 1.00 0.31 H new ATOM 0 HA2 GLY A 79 -6.382 -2.763 4.419 1.00 0.32 H new ATOM 0 HA3 GLY A 79 -6.876 -3.947 3.225 1.00 0.32 H new ATOM 291 N VAL A 80 -5.778 -2.320 1.193 1.00 0.23 N ATOM 292 CA VAL A 80 -4.697 -1.896 0.263 1.00 0.22 C ATOM 293 C VAL A 80 -4.137 -0.554 0.729 1.00 0.21 C ATOM 294 O VAL A 80 -2.940 -0.371 0.832 1.00 0.22 O ATOM 295 CB VAL A 80 -5.262 -1.766 -1.153 1.00 0.24 C ATOM 296 CG1 VAL A 80 -4.138 -1.394 -2.122 1.00 0.28 C ATOM 297 CG2 VAL A 80 -5.878 -3.104 -1.576 1.00 0.28 C ATOM 0 H VAL A 80 -6.686 -2.489 0.760 1.00 0.23 H new ATOM 0 HA VAL A 80 -3.899 -2.639 0.258 1.00 0.22 H new ATOM 0 HB VAL A 80 -6.026 -0.988 -1.170 1.00 0.24 H new ATOM 0 HG11 VAL A 80 -4.542 -1.302 -3.130 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -3.697 -0.444 -1.820 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -3.373 -2.170 -2.107 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -6.282 -3.016 -2.585 1.00 0.28 H new ATOM 0 HG22 VAL A 80 -5.112 -3.879 -1.558 1.00 0.28 H new ATOM 0 HG23 VAL A 80 -6.679 -3.370 -0.886 1.00 0.28 H new ATOM 307 N MET A 81 -4.993 0.383 1.034 1.00 0.22 N ATOM 308 CA MET A 81 -4.504 1.703 1.516 1.00 0.25 C ATOM 309 C MET A 81 -3.643 1.483 2.758 1.00 0.27 C ATOM 310 O MET A 81 -2.556 2.013 2.881 1.00 0.28 O ATOM 311 CB MET A 81 -5.696 2.594 1.870 1.00 0.29 C ATOM 312 CG MET A 81 -6.557 2.815 0.626 1.00 0.36 C ATOM 313 SD MET A 81 -6.486 4.560 0.147 1.00 1.07 S ATOM 314 CE MET A 81 -7.808 5.146 1.235 1.00 1.70 C ATOM 0 H MET A 81 -6.007 0.291 0.970 1.00 0.22 H new ATOM 0 HA MET A 81 -3.916 2.188 0.737 1.00 0.25 H new ATOM 0 HB2 MET A 81 -6.289 2.129 2.658 1.00 0.29 H new ATOM 0 HB3 MET A 81 -5.346 3.551 2.257 1.00 0.29 H new ATOM 0 HG2 MET A 81 -6.202 2.187 -0.191 1.00 0.36 H new ATOM 0 HG3 MET A 81 -7.588 2.523 0.827 1.00 0.36 H new ATOM 0 HE1 MET A 81 -7.939 6.220 1.102 1.00 1.70 H new ATOM 0 HE2 MET A 81 -8.737 4.634 0.987 1.00 1.70 H new ATOM 0 HE3 MET A 81 -7.545 4.938 2.272 1.00 1.70 H new ATOM 324 N ALA A 82 -4.126 0.696 3.683 1.00 0.28 N ATOM 325 CA ALA A 82 -3.348 0.428 4.922 1.00 0.32 C ATOM 326 C ALA A 82 -1.977 -0.158 4.557 1.00 0.30 C ATOM 327 O ALA A 82 -0.963 0.263 5.075 1.00 0.30 O ATOM 328 CB ALA A 82 -4.121 -0.537 5.831 1.00 0.37 C ATOM 0 H ALA A 82 -5.030 0.227 3.631 1.00 0.28 H new ATOM 0 HA ALA A 82 -3.197 1.363 5.461 1.00 0.32 H new ATOM 0 HB1 ALA A 82 -3.543 -0.727 6.735 1.00 0.37 H new ATOM 0 HB2 ALA A 82 -5.080 -0.094 6.100 1.00 0.37 H new ATOM 0 HB3 ALA A 82 -4.290 -1.476 5.304 1.00 0.37 H new ATOM 334 N GLY A 83 -1.926 -1.128 3.675 1.00 0.28 N ATOM 335 CA GLY A 83 -0.606 -1.713 3.310 1.00 0.27 C ATOM 336 C GLY A 83 0.311 -0.609 2.791 1.00 0.23 C ATOM 337 O GLY A 83 1.453 -0.496 3.192 1.00 0.23 O ATOM 0 H GLY A 83 -2.733 -1.533 3.200 1.00 0.28 H new ATOM 0 HA2 GLY A 83 -0.157 -2.196 4.178 1.00 0.27 H new ATOM 0 HA3 GLY A 83 -0.735 -2.482 2.548 1.00 0.27 H new ATOM 341 N VAL A 84 -0.179 0.214 1.904 1.00 0.21 N ATOM 342 CA VAL A 84 0.668 1.314 1.366 1.00 0.19 C ATOM 343 C VAL A 84 1.168 2.190 2.519 1.00 0.20 C ATOM 344 O VAL A 84 2.334 2.517 2.599 1.00 0.19 O ATOM 345 CB VAL A 84 -0.153 2.162 0.395 1.00 0.22 C ATOM 346 CG1 VAL A 84 0.725 3.278 -0.174 1.00 0.28 C ATOM 347 CG2 VAL A 84 -0.658 1.280 -0.748 1.00 0.27 C ATOM 0 H VAL A 84 -1.127 0.172 1.530 1.00 0.21 H new ATOM 0 HA VAL A 84 1.523 0.889 0.841 1.00 0.19 H new ATOM 0 HB VAL A 84 -1.002 2.599 0.921 1.00 0.22 H new ATOM 0 HG11 VAL A 84 0.140 3.883 -0.867 1.00 0.28 H new ATOM 0 HG12 VAL A 84 1.088 3.906 0.640 1.00 0.28 H new ATOM 0 HG13 VAL A 84 1.573 2.841 -0.701 1.00 0.28 H new ATOM 0 HG21 VAL A 84 -1.244 1.883 -1.442 1.00 0.27 H new ATOM 0 HG22 VAL A 84 0.191 0.844 -1.274 1.00 0.27 H new ATOM 0 HG23 VAL A 84 -1.282 0.483 -0.344 1.00 0.27 H new ATOM 357 N ILE A 85 0.295 2.576 3.415 1.00 0.23 N ATOM 358 CA ILE A 85 0.730 3.432 4.554 1.00 0.27 C ATOM 359 C ILE A 85 1.852 2.726 5.330 1.00 0.27 C ATOM 360 O ILE A 85 2.865 3.317 5.645 1.00 0.28 O ATOM 361 CB ILE A 85 -0.481 3.724 5.467 1.00 0.33 C ATOM 362 CG1 ILE A 85 -0.441 5.192 5.898 1.00 0.67 C ATOM 363 CG2 ILE A 85 -0.466 2.833 6.717 1.00 0.75 C ATOM 364 CD1 ILE A 85 -1.852 5.780 5.838 1.00 1.20 C ATOM 0 H ILE A 85 -0.696 2.335 3.405 1.00 0.23 H new ATOM 0 HA ILE A 85 1.118 4.380 4.182 1.00 0.27 H new ATOM 0 HB ILE A 85 -1.392 3.513 4.906 1.00 0.33 H new ATOM 0 HG12 ILE A 85 -0.044 5.274 6.910 1.00 0.67 H new ATOM 0 HG13 ILE A 85 0.227 5.755 5.247 1.00 0.67 H new ATOM 0 HG21 ILE A 85 -1.331 3.063 7.338 1.00 0.75 H new ATOM 0 HG22 ILE A 85 -0.503 1.786 6.418 1.00 0.75 H new ATOM 0 HG23 ILE A 85 0.447 3.017 7.284 1.00 0.75 H new ATOM 0 HD11 ILE A 85 -1.824 6.826 6.145 1.00 1.20 H new ATOM 0 HD12 ILE A 85 -2.232 5.711 4.819 1.00 1.20 H new ATOM 0 HD13 ILE A 85 -2.507 5.223 6.508 1.00 1.20 H new ATOM 376 N GLY A 86 1.678 1.467 5.639 1.00 0.29 N ATOM 377 CA GLY A 86 2.738 0.736 6.389 1.00 0.33 C ATOM 378 C GLY A 86 4.050 0.811 5.610 1.00 0.30 C ATOM 379 O GLY A 86 5.093 1.110 6.158 1.00 0.33 O ATOM 0 H GLY A 86 0.851 0.917 5.405 1.00 0.29 H new ATOM 0 HA2 GLY A 86 2.865 1.172 7.380 1.00 0.33 H new ATOM 0 HA3 GLY A 86 2.446 -0.304 6.533 1.00 0.33 H new ATOM 383 N THR A 87 4.006 0.548 4.333 1.00 0.25 N ATOM 384 CA THR A 87 5.252 0.612 3.519 1.00 0.25 C ATOM 385 C THR A 87 5.865 2.006 3.649 1.00 0.26 C ATOM 386 O THR A 87 7.049 2.157 3.875 1.00 0.32 O ATOM 387 CB THR A 87 4.920 0.336 2.051 1.00 0.24 C ATOM 388 OG1 THR A 87 4.275 -0.925 1.941 1.00 0.34 O ATOM 389 CG2 THR A 87 6.211 0.327 1.229 1.00 0.31 C ATOM 0 H THR A 87 3.163 0.292 3.819 1.00 0.25 H new ATOM 0 HA THR A 87 5.960 -0.136 3.875 1.00 0.25 H new ATOM 0 HB THR A 87 4.257 1.115 1.674 1.00 0.24 H new ATOM 0 HG1 THR A 87 4.495 -1.474 2.722 1.00 0.34 H new ATOM 0 HG21 THR A 87 5.975 0.130 0.183 1.00 0.31 H new ATOM 0 HG22 THR A 87 6.703 1.296 1.314 1.00 0.31 H new ATOM 0 HG23 THR A 87 6.875 -0.452 1.604 1.00 0.31 H new ATOM 397 N ILE A 88 5.064 3.027 3.512 1.00 0.24 N ATOM 398 CA ILE A 88 5.596 4.412 3.631 1.00 0.33 C ATOM 399 C ILE A 88 6.270 4.574 4.994 1.00 0.39 C ATOM 400 O ILE A 88 7.368 5.083 5.098 1.00 0.47 O ATOM 401 CB ILE A 88 4.446 5.412 3.503 1.00 0.37 C ATOM 402 CG1 ILE A 88 3.955 5.438 2.053 1.00 0.39 C ATOM 403 CG2 ILE A 88 4.933 6.806 3.899 1.00 0.47 C ATOM 404 CD1 ILE A 88 2.755 6.380 1.935 1.00 0.49 C ATOM 0 H ILE A 88 4.064 2.961 3.323 1.00 0.24 H new ATOM 0 HA ILE A 88 6.323 4.598 2.840 1.00 0.33 H new ATOM 0 HB ILE A 88 3.630 5.113 4.161 1.00 0.37 H new ATOM 0 HG12 ILE A 88 4.757 5.769 1.393 1.00 0.39 H new ATOM 0 HG13 ILE A 88 3.675 4.434 1.735 1.00 0.39 H new ATOM 0 HG21 ILE A 88 4.113 7.518 3.807 1.00 0.47 H new ATOM 0 HG22 ILE A 88 5.285 6.789 4.930 1.00 0.47 H new ATOM 0 HG23 ILE A 88 5.749 7.107 3.242 1.00 0.47 H new ATOM 0 HD11 ILE A 88 2.406 6.398 0.902 1.00 0.49 H new ATOM 0 HD12 ILE A 88 1.952 6.029 2.583 1.00 0.49 H new ATOM 0 HD13 ILE A 88 3.051 7.385 2.235 1.00 0.49 H new ATOM 416 N LEU A 89 5.619 4.142 6.040 1.00 0.39 N ATOM 417 CA LEU A 89 6.223 4.268 7.394 1.00 0.49 C ATOM 418 C LEU A 89 7.584 3.557 7.402 1.00 0.53 C ATOM 419 O LEU A 89 8.569 4.091 7.871 1.00 0.62 O ATOM 420 CB LEU A 89 5.252 3.665 8.438 1.00 0.53 C ATOM 421 CG LEU A 89 5.864 2.455 9.160 1.00 0.59 C ATOM 422 CD1 LEU A 89 7.001 2.920 10.072 1.00 0.68 C ATOM 423 CD2 LEU A 89 4.784 1.772 10.004 1.00 0.65 C ATOM 0 H LEU A 89 4.696 3.708 6.014 1.00 0.39 H new ATOM 0 HA LEU A 89 6.387 5.314 7.651 1.00 0.49 H new ATOM 0 HB2 LEU A 89 4.987 4.428 9.170 1.00 0.53 H new ATOM 0 HB3 LEU A 89 4.329 3.363 7.943 1.00 0.53 H new ATOM 0 HG LEU A 89 6.256 1.753 8.424 1.00 0.59 H new ATOM 0 HD11 LEU A 89 7.433 2.059 10.583 1.00 0.68 H new ATOM 0 HD12 LEU A 89 7.769 3.411 9.474 1.00 0.68 H new ATOM 0 HD13 LEU A 89 6.612 3.622 10.810 1.00 0.68 H new ATOM 0 HD21 LEU A 89 5.214 0.912 10.518 1.00 0.65 H new ATOM 0 HD22 LEU A 89 4.396 2.478 10.738 1.00 0.65 H new ATOM 0 HD23 LEU A 89 3.973 1.439 9.357 1.00 0.65 H new ATOM 435 N LEU A 90 7.646 2.360 6.883 1.00 0.49 N ATOM 436 CA LEU A 90 8.949 1.631 6.862 1.00 0.57 C ATOM 437 C LEU A 90 9.988 2.475 6.123 1.00 0.60 C ATOM 438 O LEU A 90 11.096 2.657 6.585 1.00 0.71 O ATOM 439 CB LEU A 90 8.778 0.289 6.145 1.00 0.56 C ATOM 440 CG LEU A 90 10.122 -0.442 6.104 1.00 1.24 C ATOM 441 CD1 LEU A 90 10.166 -1.498 7.209 1.00 1.76 C ATOM 442 CD2 LEU A 90 10.293 -1.122 4.743 1.00 1.92 C ATOM 0 H LEU A 90 6.857 1.858 6.475 1.00 0.49 H new ATOM 0 HA LEU A 90 9.281 1.452 7.885 1.00 0.57 H new ATOM 0 HB2 LEU A 90 8.036 -0.320 6.662 1.00 0.56 H new ATOM 0 HB3 LEU A 90 8.408 0.450 5.132 1.00 0.56 H new ATOM 0 HG LEU A 90 10.928 0.276 6.256 1.00 1.24 H new ATOM 0 HD11 LEU A 90 11.124 -2.017 7.178 1.00 1.76 H new ATOM 0 HD12 LEU A 90 10.046 -1.015 8.179 1.00 1.76 H new ATOM 0 HD13 LEU A 90 9.359 -2.215 7.059 1.00 1.76 H new ATOM 0 HD21 LEU A 90 11.250 -1.643 4.714 1.00 1.92 H new ATOM 0 HD22 LEU A 90 9.486 -1.838 4.590 1.00 1.92 H new ATOM 0 HD23 LEU A 90 10.265 -0.370 3.954 1.00 1.92 H new ATOM 454 N ILE A 91 9.637 2.995 4.977 1.00 0.55 N ATOM 455 CA ILE A 91 10.605 3.830 4.211 1.00 0.65 C ATOM 456 C ILE A 91 11.066 4.996 5.080 1.00 0.75 C ATOM 457 O ILE A 91 12.244 5.275 5.183 1.00 0.87 O ATOM 458 CB ILE A 91 9.927 4.367 2.949 1.00 0.63 C ATOM 459 CG1 ILE A 91 9.565 3.197 2.030 1.00 0.58 C ATOM 460 CG2 ILE A 91 10.880 5.313 2.217 1.00 0.75 C ATOM 461 CD1 ILE A 91 8.604 3.682 0.942 1.00 0.66 C ATOM 0 H ILE A 91 8.723 2.877 4.539 1.00 0.55 H new ATOM 0 HA ILE A 91 11.467 3.225 3.929 1.00 0.65 H new ATOM 0 HB ILE A 91 9.022 4.908 3.226 1.00 0.63 H new ATOM 0 HG12 ILE A 91 10.466 2.784 1.577 1.00 0.58 H new ATOM 0 HG13 ILE A 91 9.103 2.396 2.608 1.00 0.58 H new ATOM 0 HG21 ILE A 91 10.395 5.694 1.318 1.00 0.75 H new ATOM 0 HG22 ILE A 91 11.139 6.146 2.871 1.00 0.75 H new ATOM 0 HG23 ILE A 91 11.786 4.774 1.940 1.00 0.75 H new ATOM 0 HD11 ILE A 91 8.346 2.850 0.287 1.00 0.66 H new ATOM 0 HD12 ILE A 91 7.698 4.074 1.405 1.00 0.66 H new ATOM 0 HD13 ILE A 91 9.083 4.468 0.358 1.00 0.66 H new ATOM 473 N SER A 92 10.154 5.679 5.716 1.00 0.73 N ATOM 474 CA SER A 92 10.568 6.815 6.579 1.00 0.87 C ATOM 475 C SER A 92 11.549 6.297 7.629 1.00 0.94 C ATOM 476 O SER A 92 12.598 6.869 7.848 1.00 1.07 O ATOM 477 CB SER A 92 9.339 7.406 7.273 1.00 0.86 C ATOM 478 OG SER A 92 8.416 7.856 6.290 1.00 1.29 O ATOM 0 H SER A 92 9.151 5.500 5.675 1.00 0.73 H new ATOM 0 HA SER A 92 11.042 7.589 5.975 1.00 0.87 H new ATOM 0 HB2 SER A 92 8.872 6.656 7.911 1.00 0.86 H new ATOM 0 HB3 SER A 92 9.634 8.234 7.918 1.00 0.86 H new ATOM 0 HG SER A 92 7.969 7.084 5.883 1.00 1.29 H new ATOM 484 N TYR A 93 11.221 5.209 8.272 1.00 0.89 N ATOM 485 CA TYR A 93 12.146 4.650 9.296 1.00 1.00 C ATOM 486 C TYR A 93 13.505 4.366 8.652 1.00 1.05 C ATOM 487 O TYR A 93 14.539 4.730 9.176 1.00 1.18 O ATOM 488 CB TYR A 93 11.567 3.354 9.862 1.00 0.96 C ATOM 489 CG TYR A 93 12.186 3.080 11.211 1.00 1.27 C ATOM 490 CD1 TYR A 93 13.568 2.885 11.319 1.00 2.13 C ATOM 491 CD2 TYR A 93 11.380 3.025 12.354 1.00 1.62 C ATOM 492 CE1 TYR A 93 14.144 2.634 12.569 1.00 2.53 C ATOM 493 CE2 TYR A 93 11.956 2.774 13.605 1.00 1.95 C ATOM 494 CZ TYR A 93 13.339 2.578 13.713 1.00 2.15 C ATOM 495 OH TYR A 93 13.906 2.332 14.945 1.00 2.64 O ATOM 0 H TYR A 93 10.356 4.686 8.133 1.00 0.89 H new ATOM 0 HA TYR A 93 12.269 5.371 10.104 1.00 1.00 H new ATOM 0 HB2 TYR A 93 10.484 3.436 9.956 1.00 0.96 H new ATOM 0 HB3 TYR A 93 11.766 2.526 9.182 1.00 0.96 H new ATOM 0 HD1 TYR A 93 14.190 2.928 10.437 1.00 2.13 H new ATOM 0 HD2 TYR A 93 10.314 3.176 12.271 1.00 1.62 H new ATOM 0 HE1 TYR A 93 15.210 2.483 12.651 1.00 2.53 H new ATOM 0 HE2 TYR A 93 11.334 2.731 14.487 1.00 1.95 H new ATOM 0 HH TYR A 93 13.207 2.328 15.632 1.00 2.64 H new ATOM 505 N GLY A 94 13.514 3.720 7.513 1.00 0.97 N ATOM 506 CA GLY A 94 14.809 3.423 6.841 1.00 1.05 C ATOM 507 C GLY A 94 15.554 4.732 6.595 1.00 1.16 C ATOM 508 O GLY A 94 16.726 4.857 6.888 1.00 1.29 O ATOM 0 H GLY A 94 12.683 3.388 7.024 1.00 0.97 H new ATOM 0 HA2 GLY A 94 15.411 2.758 7.461 1.00 1.05 H new ATOM 0 HA3 GLY A 94 14.633 2.907 5.897 1.00 1.05 H new ATOM 512 N ILE A 95 14.877 5.715 6.066 1.00 1.14 N ATOM 513 CA ILE A 95 15.549 7.022 5.813 1.00 1.29 C ATOM 514 C ILE A 95 16.120 7.550 7.136 1.00 1.41 C ATOM 515 O ILE A 95 17.259 7.969 7.211 1.00 1.55 O ATOM 516 CB ILE A 95 14.532 8.022 5.238 1.00 1.28 C ATOM 517 CG1 ILE A 95 14.382 7.784 3.733 1.00 1.74 C ATOM 518 CG2 ILE A 95 15.015 9.457 5.470 1.00 1.77 C ATOM 519 CD1 ILE A 95 12.913 7.520 3.398 1.00 2.19 C ATOM 0 H ILE A 95 13.893 5.671 5.799 1.00 1.14 H new ATOM 0 HA ILE A 95 16.358 6.893 5.094 1.00 1.29 H new ATOM 0 HB ILE A 95 13.574 7.879 5.737 1.00 1.28 H new ATOM 0 HG12 ILE A 95 14.741 8.652 3.180 1.00 1.74 H new ATOM 0 HG13 ILE A 95 14.993 6.935 3.426 1.00 1.74 H new ATOM 0 HG21 ILE A 95 14.287 10.157 5.059 1.00 1.77 H new ATOM 0 HG22 ILE A 95 15.126 9.635 6.540 1.00 1.77 H new ATOM 0 HG23 ILE A 95 15.976 9.602 4.977 1.00 1.77 H new ATOM 0 HD11 ILE A 95 12.809 7.351 2.326 1.00 2.19 H new ATOM 0 HD12 ILE A 95 12.569 6.639 3.939 1.00 2.19 H new ATOM 0 HD13 ILE A 95 12.313 8.382 3.689 1.00 2.19 H new ATOM 531 N ARG A 96 15.335 7.528 8.179 1.00 1.37 N ATOM 532 CA ARG A 96 15.826 8.020 9.499 1.00 1.51 C ATOM 533 C ARG A 96 17.078 7.239 9.903 1.00 1.58 C ATOM 534 O ARG A 96 18.066 7.801 10.326 1.00 1.73 O ATOM 535 CB ARG A 96 14.739 7.822 10.559 1.00 1.46 C ATOM 536 CG ARG A 96 13.687 8.924 10.422 1.00 1.73 C ATOM 537 CD ARG A 96 13.219 9.360 11.811 1.00 2.03 C ATOM 538 NE ARG A 96 11.816 8.906 12.028 1.00 2.00 N ATOM 539 CZ ARG A 96 11.312 8.894 13.231 1.00 2.45 C ATOM 540 NH1 ARG A 96 11.786 8.072 14.128 1.00 2.76 N ATOM 541 NH2 ARG A 96 10.336 9.703 13.538 1.00 3.14 N ATOM 0 H ARG A 96 14.373 7.190 8.174 1.00 1.37 H new ATOM 0 HA ARG A 96 16.067 9.080 9.421 1.00 1.51 H new ATOM 0 HB2 ARG A 96 14.274 6.843 10.440 1.00 1.46 H new ATOM 0 HB3 ARG A 96 15.179 7.847 11.556 1.00 1.46 H new ATOM 0 HG2 ARG A 96 14.105 9.775 9.884 1.00 1.73 H new ATOM 0 HG3 ARG A 96 12.840 8.562 9.839 1.00 1.73 H new ATOM 0 HD2 ARG A 96 13.871 8.938 12.575 1.00 2.03 H new ATOM 0 HD3 ARG A 96 13.280 10.444 11.903 1.00 2.03 H new ATOM 0 HE ARG A 96 11.250 8.604 11.235 1.00 2.00 H new ATOM 0 HH11 ARG A 96 12.550 7.440 13.888 1.00 2.76 H new ATOM 0 HH12 ARG A 96 11.393 8.062 15.069 1.00 2.76 H new ATOM 0 HH21 ARG A 96 9.967 10.345 12.837 1.00 3.14 H new ATOM 0 HH22 ARG A 96 9.942 9.693 14.479 1.00 3.14 H new ATOM 555 N ARG A 97 17.041 5.945 9.790 1.00 1.50 N ATOM 556 CA ARG A 97 18.230 5.143 10.174 1.00 1.59 C ATOM 557 C ARG A 97 19.445 5.599 9.363 1.00 1.69 C ATOM 558 O ARG A 97 20.515 5.816 9.898 1.00 1.84 O ATOM 559 CB ARG A 97 17.955 3.661 9.910 1.00 1.50 C ATOM 560 CG ARG A 97 19.234 2.852 10.131 1.00 1.77 C ATOM 561 CD ARG A 97 18.873 1.458 10.650 1.00 2.23 C ATOM 562 NE ARG A 97 19.918 0.996 11.607 1.00 2.70 N ATOM 563 CZ ARG A 97 19.677 -0.013 12.399 1.00 3.07 C ATOM 564 NH1 ARG A 97 19.137 -1.102 11.924 1.00 3.56 N ATOM 565 NH2 ARG A 97 19.975 0.069 13.667 1.00 3.58 N ATOM 0 H ARG A 97 16.243 5.409 9.450 1.00 1.50 H new ATOM 0 HA ARG A 97 18.436 5.287 11.235 1.00 1.59 H new ATOM 0 HB2 ARG A 97 17.168 3.303 10.574 1.00 1.50 H new ATOM 0 HB3 ARG A 97 17.598 3.524 8.889 1.00 1.50 H new ATOM 0 HG2 ARG A 97 19.792 2.771 9.198 1.00 1.77 H new ATOM 0 HG3 ARG A 97 19.880 3.362 10.846 1.00 1.77 H new ATOM 0 HD2 ARG A 97 17.900 1.482 11.141 1.00 2.23 H new ATOM 0 HD3 ARG A 97 18.792 0.758 9.818 1.00 2.23 H new ATOM 0 HE ARG A 97 20.821 1.468 11.643 1.00 2.70 H new ATOM 0 HH11 ARG A 97 18.903 -1.165 10.933 1.00 3.56 H new ATOM 0 HH12 ARG A 97 18.949 -1.890 12.544 1.00 3.56 H new ATOM 0 HH21 ARG A 97 20.396 0.921 14.038 1.00 3.58 H new ATOM 0 HH22 ARG A 97 19.787 -0.719 14.287 1.00 3.58 H new ATOM 579 N LEU A 98 19.290 5.744 8.074 1.00 1.64 N ATOM 580 CA LEU A 98 20.437 6.182 7.232 1.00 1.75 C ATOM 581 C LEU A 98 20.966 7.528 7.747 1.00 1.91 C ATOM 582 O LEU A 98 22.155 7.721 7.897 1.00 2.05 O ATOM 583 CB LEU A 98 19.990 6.266 5.753 1.00 1.69 C ATOM 584 CG LEU A 98 19.795 7.718 5.291 1.00 2.11 C ATOM 585 CD1 LEU A 98 21.160 8.385 5.100 1.00 2.66 C ATOM 586 CD2 LEU A 98 19.041 7.726 3.960 1.00 2.38 C ATOM 0 H LEU A 98 18.419 5.578 7.570 1.00 1.64 H new ATOM 0 HA LEU A 98 21.249 5.458 7.294 1.00 1.75 H new ATOM 0 HB2 LEU A 98 20.735 5.782 5.121 1.00 1.69 H new ATOM 0 HB3 LEU A 98 19.057 5.717 5.625 1.00 1.69 H new ATOM 0 HG LEU A 98 19.226 8.264 6.043 1.00 2.11 H new ATOM 0 HD11 LEU A 98 21.019 9.415 4.772 1.00 2.66 H new ATOM 0 HD12 LEU A 98 21.705 8.376 6.044 1.00 2.66 H new ATOM 0 HD13 LEU A 98 21.729 7.840 4.347 1.00 2.66 H new ATOM 0 HD21 LEU A 98 18.900 8.755 3.628 1.00 2.38 H new ATOM 0 HD22 LEU A 98 19.616 7.179 3.213 1.00 2.38 H new ATOM 0 HD23 LEU A 98 18.069 7.250 4.090 1.00 2.38 H new ATOM 598 N ILE A 99 20.092 8.462 8.007 1.00 1.90 N ATOM 599 CA ILE A 99 20.551 9.796 8.499 1.00 2.06 C ATOM 600 C ILE A 99 20.899 9.721 9.990 1.00 2.14 C ATOM 601 O ILE A 99 22.051 9.606 10.359 1.00 2.20 O ATOM 602 CB ILE A 99 19.460 10.855 8.277 1.00 2.05 C ATOM 603 CG1 ILE A 99 18.069 10.232 8.442 1.00 1.98 C ATOM 604 CG2 ILE A 99 19.587 11.429 6.865 1.00 2.03 C ATOM 605 CD1 ILE A 99 17.161 11.208 9.193 1.00 2.00 C ATOM 0 H ILE A 99 19.083 8.361 7.901 1.00 1.90 H new ATOM 0 HA ILE A 99 21.441 10.080 7.937 1.00 2.06 H new ATOM 0 HB ILE A 99 19.586 11.647 9.015 1.00 2.05 H new ATOM 0 HG12 ILE A 99 17.644 10.001 7.465 1.00 1.98 H new ATOM 0 HG13 ILE A 99 18.142 9.292 8.989 1.00 1.98 H new ATOM 0 HG21 ILE A 99 18.813 12.180 6.707 1.00 2.03 H new ATOM 0 HG22 ILE A 99 20.568 11.888 6.746 1.00 2.03 H new ATOM 0 HG23 ILE A 99 19.470 10.628 6.135 1.00 2.03 H new ATOM 0 HD11 ILE A 99 16.171 10.767 9.311 1.00 2.00 H new ATOM 0 HD12 ILE A 99 17.585 11.417 10.175 1.00 2.00 H new ATOM 0 HD13 ILE A 99 17.079 12.137 8.628 1.00 2.00 H new ATOM 617 N LYS A 100 19.920 9.798 10.851 1.00 2.35 N ATOM 618 CA LYS A 100 20.208 9.745 12.314 1.00 2.45 C ATOM 619 C LYS A 100 20.066 8.309 12.824 1.00 2.85 C ATOM 620 O LYS A 100 19.043 7.677 12.654 1.00 3.21 O ATOM 621 CB LYS A 100 19.221 10.650 13.059 1.00 2.30 C ATOM 622 CG LYS A 100 19.637 12.112 12.881 1.00 2.60 C ATOM 623 CD LYS A 100 19.755 12.781 14.253 1.00 2.94 C ATOM 624 CE LYS A 100 18.715 13.896 14.368 1.00 3.56 C ATOM 625 NZ LYS A 100 19.080 14.801 15.494 1.00 3.91 N ATOM 0 H LYS A 100 18.935 9.895 10.605 1.00 2.35 H new ATOM 0 HA LYS A 100 21.228 10.087 12.491 1.00 2.45 H new ATOM 0 HB2 LYS A 100 18.212 10.499 12.676 1.00 2.30 H new ATOM 0 HB3 LYS A 100 19.202 10.392 14.118 1.00 2.30 H new ATOM 0 HG2 LYS A 100 20.590 12.168 12.354 1.00 2.60 H new ATOM 0 HG3 LYS A 100 18.903 12.638 12.270 1.00 2.60 H new ATOM 0 HD2 LYS A 100 19.603 12.045 15.043 1.00 2.94 H new ATOM 0 HD3 LYS A 100 20.757 13.189 14.386 1.00 2.94 H new ATOM 0 HE2 LYS A 100 18.665 14.459 13.436 1.00 3.56 H new ATOM 0 HE3 LYS A 100 17.726 13.470 14.536 1.00 3.56 H new ATOM 0 HZ1 LYS A 100 18.373 15.560 15.573 1.00 3.91 H new ATOM 0 HZ2 LYS A 100 19.106 14.259 16.381 1.00 3.91 H new ATOM 0 HZ3 LYS A 100 20.016 15.217 15.315 1.00 3.91 H new ATOM 639 N LYS A 101 21.087 7.793 13.452 1.00 3.09 N ATOM 640 CA LYS A 101 21.018 6.400 13.981 1.00 3.63 C ATOM 641 C LYS A 101 22.355 6.034 14.629 1.00 4.10 C ATOM 642 O LYS A 101 22.592 6.473 15.741 1.00 4.56 O ATOM 643 CB LYS A 101 20.723 5.428 12.837 1.00 3.99 C ATOM 644 CG LYS A 101 20.324 4.069 13.415 1.00 4.58 C ATOM 645 CD LYS A 101 18.878 4.131 13.911 1.00 5.25 C ATOM 646 CE LYS A 101 18.866 4.264 15.436 1.00 6.09 C ATOM 647 NZ LYS A 101 17.660 5.030 15.857 1.00 6.53 N ATOM 648 OXT LYS A 101 23.118 5.320 13.999 1.00 4.44 O ATOM 0 H LYS A 101 21.969 8.277 13.622 1.00 3.09 H new ATOM 0 HA LYS A 101 20.223 6.335 14.724 1.00 3.63 H new ATOM 0 HB2 LYS A 101 19.921 5.819 12.211 1.00 3.99 H new ATOM 0 HB3 LYS A 101 21.601 5.321 12.200 1.00 3.99 H new ATOM 0 HG2 LYS A 101 20.426 3.294 12.655 1.00 4.58 H new ATOM 0 HG3 LYS A 101 20.990 3.801 14.235 1.00 4.58 H new ATOM 0 HD2 LYS A 101 18.363 4.978 13.458 1.00 5.25 H new ATOM 0 HD3 LYS A 101 18.340 3.232 13.610 1.00 5.25 H new ATOM 0 HE2 LYS A 101 18.863 3.277 15.898 1.00 6.09 H new ATOM 0 HE3 LYS A 101 19.769 4.772 15.775 1.00 6.09 H new ATOM 0 HZ1 LYS A 101 17.651 5.121 16.893 1.00 6.53 H new ATOM 0 HZ2 LYS A 101 17.682 5.976 15.426 1.00 6.53 H new ATOM 0 HZ3 LYS A 101 16.804 4.528 15.546 1.00 6.53 H new TER 662 LYS A 101 ATOM 663 N VAL B 62 7.079 -21.466 3.836 1.00 19.64 N ATOM 664 CA VAL B 62 5.823 -21.981 4.450 1.00 19.45 C ATOM 665 C VAL B 62 4.896 -22.505 3.352 1.00 18.79 C ATOM 666 O VAL B 62 5.153 -22.336 2.176 1.00 19.02 O ATOM 667 CB VAL B 62 5.125 -20.849 5.207 1.00 19.77 C ATOM 668 CG1 VAL B 62 6.000 -20.404 6.380 1.00 20.22 C ATOM 669 CG2 VAL B 62 4.903 -19.667 4.261 1.00 19.99 C ATOM 0 HA VAL B 62 6.061 -22.789 5.141 1.00 19.45 H new ATOM 0 HB VAL B 62 4.165 -21.201 5.583 1.00 19.77 H new ATOM 0 HG11 VAL B 62 5.503 -19.598 6.919 1.00 20.22 H new ATOM 0 HG12 VAL B 62 6.161 -21.246 7.054 1.00 20.22 H new ATOM 0 HG13 VAL B 62 6.960 -20.051 6.004 1.00 20.22 H new ATOM 0 HG21 VAL B 62 4.406 -18.859 4.798 1.00 19.99 H new ATOM 0 HG22 VAL B 62 5.864 -19.316 3.886 1.00 19.99 H new ATOM 0 HG23 VAL B 62 4.281 -19.983 3.424 1.00 19.99 H new ATOM 681 N GLN B 63 3.820 -23.143 3.725 1.00 18.10 N ATOM 682 CA GLN B 63 2.876 -23.680 2.703 1.00 17.56 C ATOM 683 C GLN B 63 1.474 -23.125 2.959 1.00 16.86 C ATOM 684 O GLN B 63 1.125 -22.782 4.072 1.00 16.59 O ATOM 685 CB GLN B 63 2.845 -25.207 2.791 1.00 17.30 C ATOM 686 CG GLN B 63 2.922 -25.636 4.257 1.00 17.01 C ATOM 687 CD GLN B 63 1.622 -25.257 4.970 1.00 16.75 C ATOM 688 OE1 GLN B 63 0.570 -25.777 4.657 1.00 17.03 O ATOM 689 NE2 GLN B 63 1.650 -24.365 5.922 1.00 16.36 N ATOM 0 H GLN B 63 3.553 -23.316 4.694 1.00 18.10 H new ATOM 0 HA GLN B 63 3.208 -23.380 1.709 1.00 17.56 H new ATOM 0 HB2 GLN B 63 1.931 -25.589 2.337 1.00 17.30 H new ATOM 0 HB3 GLN B 63 3.680 -25.631 2.233 1.00 17.30 H new ATOM 0 HG2 GLN B 63 3.085 -26.712 4.324 1.00 17.01 H new ATOM 0 HG3 GLN B 63 3.770 -25.154 4.744 1.00 17.01 H new ATOM 0 HE21 GLN B 63 2.533 -23.928 6.185 1.00 16.36 H new ATOM 0 HE22 GLN B 63 0.789 -24.105 6.403 1.00 16.36 H new ATOM 698 N LEU B 64 0.667 -23.035 1.938 1.00 16.69 N ATOM 699 CA LEU B 64 -0.713 -22.502 2.123 1.00 16.15 C ATOM 700 C LEU B 64 -1.658 -23.646 2.497 1.00 15.61 C ATOM 701 O LEU B 64 -2.186 -24.327 1.641 1.00 15.57 O ATOM 702 CB LEU B 64 -1.192 -21.867 0.818 1.00 16.73 C ATOM 703 CG LEU B 64 -1.420 -20.370 1.031 1.00 16.88 C ATOM 704 CD1 LEU B 64 -0.076 -19.641 1.016 1.00 17.47 C ATOM 705 CD2 LEU B 64 -2.307 -19.825 -0.091 1.00 17.27 C ATOM 0 H LEU B 64 0.903 -23.307 0.984 1.00 16.69 H new ATOM 0 HA LEU B 64 -0.707 -21.755 2.917 1.00 16.15 H new ATOM 0 HB2 LEU B 64 -0.453 -22.025 0.032 1.00 16.73 H new ATOM 0 HB3 LEU B 64 -2.115 -22.343 0.488 1.00 16.73 H new ATOM 0 HG LEU B 64 -1.909 -20.211 1.992 1.00 16.88 H new ATOM 0 HD11 LEU B 64 -0.239 -18.574 1.168 1.00 17.47 H new ATOM 0 HD12 LEU B 64 0.557 -20.029 1.814 1.00 17.47 H new ATOM 0 HD13 LEU B 64 0.413 -19.800 0.055 1.00 17.47 H new ATOM 0 HD21 LEU B 64 -2.470 -18.758 0.060 1.00 17.27 H new ATOM 0 HD22 LEU B 64 -1.818 -19.985 -1.052 1.00 17.27 H new ATOM 0 HD23 LEU B 64 -3.266 -20.344 -0.081 1.00 17.27 H new ATOM 717 N ALA B 65 -1.881 -23.861 3.763 1.00 15.34 N ATOM 718 CA ALA B 65 -2.796 -24.960 4.173 1.00 14.99 C ATOM 719 C ALA B 65 -3.919 -24.390 5.041 1.00 14.10 C ATOM 720 O ALA B 65 -4.598 -25.109 5.748 1.00 13.96 O ATOM 721 CB ALA B 65 -2.016 -26.006 4.972 1.00 15.58 C ATOM 0 H ALA B 65 -1.471 -23.325 4.528 1.00 15.34 H new ATOM 0 HA ALA B 65 -3.222 -25.427 3.285 1.00 14.99 H new ATOM 0 HB1 ALA B 65 -2.688 -26.810 5.272 1.00 15.58 H new ATOM 0 HB2 ALA B 65 -1.215 -26.413 4.354 1.00 15.58 H new ATOM 0 HB3 ALA B 65 -1.588 -25.541 5.860 1.00 15.58 H new ATOM 727 N HIS B 66 -4.122 -23.102 4.993 1.00 13.65 N ATOM 728 CA HIS B 66 -5.199 -22.486 5.815 1.00 12.91 C ATOM 729 C HIS B 66 -5.068 -20.963 5.765 1.00 12.30 C ATOM 730 O HIS B 66 -3.980 -20.426 5.759 1.00 12.38 O ATOM 731 CB HIS B 66 -5.070 -22.961 7.262 1.00 12.96 C ATOM 732 CG HIS B 66 -6.209 -23.887 7.592 1.00 13.34 C ATOM 733 ND1 HIS B 66 -6.130 -24.822 8.612 1.00 13.54 N ATOM 734 CD2 HIS B 66 -7.459 -24.033 7.045 1.00 13.74 C ATOM 735 CE1 HIS B 66 -7.301 -25.482 8.647 1.00 14.03 C ATOM 736 NE2 HIS B 66 -8.148 -25.041 7.712 1.00 14.18 N ATOM 0 H HIS B 66 -3.587 -22.450 4.419 1.00 13.65 H new ATOM 0 HA HIS B 66 -6.172 -22.781 5.421 1.00 12.91 H new ATOM 0 HB2 HIS B 66 -4.118 -23.473 7.404 1.00 12.96 H new ATOM 0 HB3 HIS B 66 -5.075 -22.106 7.938 1.00 12.96 H new ATOM 0 HD2 HIS B 66 -7.849 -23.453 6.221 1.00 13.74 H new ATOM 0 HE1 HIS B 66 -7.529 -26.273 9.346 1.00 14.03 H new ATOM 0 HE2 HIS B 66 -9.095 -25.372 7.527 1.00 14.18 H new ATOM 744 N HIS B 67 -6.169 -20.264 5.731 1.00 11.87 N ATOM 745 CA HIS B 67 -6.101 -18.776 5.683 1.00 11.46 C ATOM 746 C HIS B 67 -7.146 -18.186 6.631 1.00 10.55 C ATOM 747 O HIS B 67 -8.218 -17.788 6.220 1.00 10.53 O ATOM 748 CB HIS B 67 -6.374 -18.299 4.256 1.00 11.84 C ATOM 749 CG HIS B 67 -5.139 -17.643 3.702 1.00 12.35 C ATOM 750 ND1 HIS B 67 -3.919 -18.299 3.637 1.00 12.68 N ATOM 751 CD2 HIS B 67 -4.918 -16.391 3.185 1.00 12.80 C ATOM 752 CE1 HIS B 67 -3.028 -17.446 3.099 1.00 13.29 C ATOM 753 NE2 HIS B 67 -3.585 -16.268 2.805 1.00 13.39 N ATOM 0 H HIS B 67 -7.110 -20.657 5.734 1.00 11.87 H new ATOM 0 HA HIS B 67 -5.108 -18.447 5.990 1.00 11.46 H new ATOM 0 HB2 HIS B 67 -6.664 -19.142 3.629 1.00 11.84 H new ATOM 0 HB3 HIS B 67 -7.207 -17.596 4.249 1.00 11.84 H new ATOM 0 HD1 HIS B 67 -3.731 -19.254 3.942 1.00 12.68 H new ATOM 0 HD2 HIS B 67 -5.666 -15.618 3.088 1.00 12.80 H new ATOM 0 HE1 HIS B 67 -1.989 -17.685 2.926 1.00 13.29 H new ATOM 761 N PHE B 68 -6.842 -18.123 7.898 1.00 10.00 N ATOM 762 CA PHE B 68 -7.816 -17.556 8.874 1.00 9.29 C ATOM 763 C PHE B 68 -9.191 -18.189 8.650 1.00 8.27 C ATOM 764 O PHE B 68 -9.336 -19.132 7.898 1.00 8.29 O ATOM 765 CB PHE B 68 -7.916 -16.043 8.675 1.00 9.52 C ATOM 766 CG PHE B 68 -6.580 -15.405 8.970 1.00 10.43 C ATOM 767 CD1 PHE B 68 -5.836 -15.821 10.082 1.00 11.07 C ATOM 768 CD2 PHE B 68 -6.084 -14.399 8.134 1.00 10.86 C ATOM 769 CE1 PHE B 68 -4.597 -15.231 10.356 1.00 12.06 C ATOM 770 CE2 PHE B 68 -4.844 -13.808 8.408 1.00 11.86 C ATOM 771 CZ PHE B 68 -4.101 -14.224 9.520 1.00 12.43 C ATOM 0 H PHE B 68 -5.960 -18.440 8.301 1.00 10.00 H new ATOM 0 HA PHE B 68 -7.478 -17.769 9.888 1.00 9.29 H new ATOM 0 HB2 PHE B 68 -8.219 -15.820 7.652 1.00 9.52 H new ATOM 0 HB3 PHE B 68 -8.681 -15.629 9.332 1.00 9.52 H new ATOM 0 HD1 PHE B 68 -6.219 -16.597 10.728 1.00 11.07 H new ATOM 0 HD2 PHE B 68 -6.657 -14.078 7.277 1.00 10.86 H new ATOM 0 HE1 PHE B 68 -4.023 -15.553 11.213 1.00 12.06 H new ATOM 0 HE2 PHE B 68 -4.461 -13.032 7.762 1.00 11.86 H new ATOM 0 HZ PHE B 68 -3.145 -13.768 9.732 1.00 12.43 H new ATOM 781 N SER B 69 -10.200 -17.677 9.299 1.00 7.61 N ATOM 782 CA SER B 69 -11.566 -18.246 9.124 1.00 6.80 C ATOM 783 C SER B 69 -12.553 -17.120 8.806 1.00 5.60 C ATOM 784 O SER B 69 -13.739 -17.343 8.663 1.00 5.39 O ATOM 785 CB SER B 69 -11.994 -18.947 10.414 1.00 7.36 C ATOM 786 OG SER B 69 -10.846 -19.211 11.208 1.00 8.12 O ATOM 0 H SER B 69 -10.138 -16.889 9.943 1.00 7.61 H new ATOM 0 HA SER B 69 -11.557 -18.964 8.304 1.00 6.80 H new ATOM 0 HB2 SER B 69 -12.696 -18.322 10.966 1.00 7.36 H new ATOM 0 HB3 SER B 69 -12.511 -19.878 10.181 1.00 7.36 H new ATOM 0 HG SER B 69 -11.117 -19.659 12.036 1.00 8.12 H new ATOM 792 N GLU B 70 -12.073 -15.910 8.692 1.00 5.12 N ATOM 793 CA GLU B 70 -12.983 -14.770 8.384 1.00 4.22 C ATOM 794 C GLU B 70 -12.618 -14.187 7.011 1.00 3.04 C ATOM 795 O GLU B 70 -11.537 -13.663 6.837 1.00 3.18 O ATOM 796 CB GLU B 70 -12.818 -13.689 9.455 1.00 4.88 C ATOM 797 CG GLU B 70 -14.150 -13.476 10.176 1.00 5.77 C ATOM 798 CD GLU B 70 -13.968 -13.729 11.674 1.00 6.71 C ATOM 799 OE1 GLU B 70 -12.831 -13.780 12.114 1.00 7.09 O ATOM 800 OE2 GLU B 70 -14.970 -13.868 12.357 1.00 7.29 O ATOM 0 H GLU B 70 -11.089 -15.662 8.799 1.00 5.12 H new ATOM 0 HA GLU B 70 -14.016 -15.117 8.371 1.00 4.22 H new ATOM 0 HB2 GLU B 70 -12.049 -13.984 10.169 1.00 4.88 H new ATOM 0 HB3 GLU B 70 -12.487 -12.757 8.998 1.00 4.88 H new ATOM 0 HG2 GLU B 70 -14.507 -12.460 10.009 1.00 5.77 H new ATOM 0 HG3 GLU B 70 -14.906 -14.150 9.772 1.00 5.77 H new ATOM 807 N PRO B 71 -13.525 -14.295 6.069 1.00 2.28 N ATOM 808 CA PRO B 71 -13.299 -13.779 4.707 1.00 1.48 C ATOM 809 C PRO B 71 -13.064 -12.265 4.740 1.00 1.33 C ATOM 810 O PRO B 71 -12.394 -11.715 3.887 1.00 1.29 O ATOM 811 CB PRO B 71 -14.588 -14.108 3.942 1.00 2.00 C ATOM 812 CG PRO B 71 -15.545 -14.835 4.921 1.00 2.71 C ATOM 813 CD PRO B 71 -14.835 -14.935 6.280 1.00 2.87 C ATOM 0 HA PRO B 71 -12.420 -14.222 4.239 1.00 1.48 H new ATOM 0 HB2 PRO B 71 -15.050 -13.197 3.562 1.00 2.00 H new ATOM 0 HB3 PRO B 71 -14.371 -14.739 3.080 1.00 2.00 H new ATOM 0 HG2 PRO B 71 -16.482 -14.286 5.018 1.00 2.71 H new ATOM 0 HG3 PRO B 71 -15.794 -15.828 4.546 1.00 2.71 H new ATOM 0 HD2 PRO B 71 -15.402 -14.428 7.061 1.00 2.87 H new ATOM 0 HD3 PRO B 71 -14.722 -15.973 6.592 1.00 2.87 H new ATOM 821 N GLU B 72 -13.610 -11.587 5.711 1.00 1.30 N ATOM 822 CA GLU B 72 -13.416 -10.110 5.784 1.00 1.19 C ATOM 823 C GLU B 72 -11.934 -9.792 5.999 1.00 1.06 C ATOM 824 O GLU B 72 -11.343 -9.035 5.255 1.00 1.01 O ATOM 825 CB GLU B 72 -14.242 -9.532 6.939 1.00 1.29 C ATOM 826 CG GLU B 72 -13.941 -10.297 8.230 1.00 1.90 C ATOM 827 CD GLU B 72 -15.208 -10.371 9.085 1.00 2.25 C ATOM 828 OE1 GLU B 72 -16.254 -10.668 8.533 1.00 2.52 O ATOM 829 OE2 GLU B 72 -15.108 -10.130 10.277 1.00 2.89 O ATOM 0 H GLU B 72 -14.180 -11.989 6.455 1.00 1.30 H new ATOM 0 HA GLU B 72 -13.748 -9.661 4.848 1.00 1.19 H new ATOM 0 HB2 GLU B 72 -14.010 -8.475 7.070 1.00 1.29 H new ATOM 0 HB3 GLU B 72 -15.305 -9.598 6.706 1.00 1.29 H new ATOM 0 HG2 GLU B 72 -13.588 -11.301 7.996 1.00 1.90 H new ATOM 0 HG3 GLU B 72 -13.144 -9.799 8.783 1.00 1.90 H new ATOM 836 N ILE B 73 -11.324 -10.362 7.003 1.00 1.07 N ATOM 837 CA ILE B 73 -9.888 -10.086 7.245 1.00 0.98 C ATOM 838 C ILE B 73 -9.064 -10.667 6.095 1.00 0.89 C ATOM 839 O ILE B 73 -8.033 -10.139 5.727 1.00 0.82 O ATOM 840 CB ILE B 73 -9.466 -10.735 8.563 1.00 1.09 C ATOM 841 CG1 ILE B 73 -8.106 -10.187 8.971 1.00 1.29 C ATOM 842 CG2 ILE B 73 -9.375 -12.251 8.389 1.00 1.27 C ATOM 843 CD1 ILE B 73 -8.260 -8.734 9.417 1.00 2.11 C ATOM 0 H ILE B 73 -11.761 -11.005 7.663 1.00 1.07 H new ATOM 0 HA ILE B 73 -9.721 -9.010 7.302 1.00 0.98 H new ATOM 0 HB ILE B 73 -10.203 -10.510 9.334 1.00 1.09 H new ATOM 0 HG12 ILE B 73 -7.688 -10.785 9.780 1.00 1.29 H new ATOM 0 HG13 ILE B 73 -7.410 -10.251 8.135 1.00 1.29 H new ATOM 0 HG21 ILE B 73 -9.074 -12.708 9.332 1.00 1.27 H new ATOM 0 HG22 ILE B 73 -10.348 -12.642 8.091 1.00 1.27 H new ATOM 0 HG23 ILE B 73 -8.638 -12.485 7.620 1.00 1.27 H new ATOM 0 HD11 ILE B 73 -7.288 -8.338 9.710 1.00 2.11 H new ATOM 0 HD12 ILE B 73 -8.660 -8.141 8.594 1.00 2.11 H new ATOM 0 HD13 ILE B 73 -8.943 -8.684 10.265 1.00 2.11 H new ATOM 855 N THR B 74 -9.514 -11.749 5.521 1.00 0.92 N ATOM 856 CA THR B 74 -8.763 -12.363 4.394 1.00 0.87 C ATOM 857 C THR B 74 -8.699 -11.373 3.230 1.00 0.77 C ATOM 858 O THR B 74 -7.655 -11.149 2.649 1.00 0.69 O ATOM 859 CB THR B 74 -9.475 -13.640 3.940 1.00 0.99 C ATOM 860 OG1 THR B 74 -9.416 -14.607 4.979 1.00 1.57 O ATOM 861 CG2 THR B 74 -8.791 -14.191 2.688 1.00 1.43 C ATOM 0 H THR B 74 -10.371 -12.234 5.786 1.00 0.92 H new ATOM 0 HA THR B 74 -7.753 -12.609 4.720 1.00 0.87 H new ATOM 0 HB THR B 74 -10.517 -13.414 3.711 1.00 0.99 H new ATOM 0 HG1 THR B 74 -10.073 -14.384 5.671 1.00 1.57 H new ATOM 0 HG21 THR B 74 -9.299 -15.100 2.366 1.00 1.43 H new ATOM 0 HG22 THR B 74 -8.837 -13.448 1.892 1.00 1.43 H new ATOM 0 HG23 THR B 74 -7.749 -14.418 2.913 1.00 1.43 H new ATOM 869 N LEU B 75 -9.807 -10.774 2.885 1.00 0.81 N ATOM 870 CA LEU B 75 -9.799 -9.796 1.757 1.00 0.74 C ATOM 871 C LEU B 75 -9.016 -8.554 2.173 1.00 0.62 C ATOM 872 O LEU B 75 -8.178 -8.067 1.441 1.00 0.52 O ATOM 873 CB LEU B 75 -11.233 -9.385 1.395 1.00 0.87 C ATOM 874 CG LEU B 75 -11.718 -10.168 0.171 1.00 1.11 C ATOM 875 CD1 LEU B 75 -13.024 -9.551 -0.333 1.00 1.02 C ATOM 876 CD2 LEU B 75 -10.670 -10.100 -0.943 1.00 1.63 C ATOM 0 H LEU B 75 -10.713 -10.918 3.332 1.00 0.81 H new ATOM 0 HA LEU B 75 -9.332 -10.263 0.890 1.00 0.74 H new ATOM 0 HB2 LEU B 75 -11.896 -9.571 2.240 1.00 0.87 H new ATOM 0 HB3 LEU B 75 -11.271 -8.315 1.189 1.00 0.87 H new ATOM 0 HG LEU B 75 -11.878 -11.209 0.451 1.00 1.11 H new ATOM 0 HD11 LEU B 75 -13.375 -10.104 -1.204 1.00 1.02 H new ATOM 0 HD12 LEU B 75 -13.776 -9.599 0.454 1.00 1.02 H new ATOM 0 HD13 LEU B 75 -12.852 -8.510 -0.608 1.00 1.02 H new ATOM 0 HD21 LEU B 75 -11.023 -10.659 -1.809 1.00 1.63 H new ATOM 0 HD22 LEU B 75 -10.506 -9.060 -1.225 1.00 1.63 H new ATOM 0 HD23 LEU B 75 -9.734 -10.532 -0.589 1.00 1.63 H new ATOM 888 N ILE B 76 -9.275 -8.031 3.341 1.00 0.66 N ATOM 889 CA ILE B 76 -8.528 -6.821 3.768 1.00 0.59 C ATOM 890 C ILE B 76 -7.031 -7.130 3.732 1.00 0.48 C ATOM 891 O ILE B 76 -6.246 -6.378 3.192 1.00 0.39 O ATOM 892 CB ILE B 76 -8.932 -6.444 5.196 1.00 0.70 C ATOM 893 CG1 ILE B 76 -10.360 -5.900 5.203 1.00 0.89 C ATOM 894 CG2 ILE B 76 -7.981 -5.373 5.731 1.00 0.73 C ATOM 895 CD1 ILE B 76 -10.879 -5.877 6.642 1.00 1.02 C ATOM 0 H ILE B 76 -9.962 -8.385 4.007 1.00 0.66 H new ATOM 0 HA ILE B 76 -8.756 -5.991 3.099 1.00 0.59 H new ATOM 0 HB ILE B 76 -8.879 -7.330 5.828 1.00 0.70 H new ATOM 0 HG12 ILE B 76 -10.382 -4.896 4.779 1.00 0.89 H new ATOM 0 HG13 ILE B 76 -11.003 -6.523 4.581 1.00 0.89 H new ATOM 0 HG21 ILE B 76 -8.269 -5.105 6.747 1.00 0.73 H new ATOM 0 HG22 ILE B 76 -6.962 -5.759 5.733 1.00 0.73 H new ATOM 0 HG23 ILE B 76 -8.033 -4.490 5.095 1.00 0.73 H new ATOM 0 HD11 ILE B 76 -11.898 -5.490 6.655 1.00 1.02 H new ATOM 0 HD12 ILE B 76 -10.870 -6.888 7.048 1.00 1.02 H new ATOM 0 HD13 ILE B 76 -10.240 -5.236 7.249 1.00 1.02 H new ATOM 907 N ILE B 77 -6.630 -8.241 4.290 1.00 0.51 N ATOM 908 CA ILE B 77 -5.185 -8.597 4.266 1.00 0.45 C ATOM 909 C ILE B 77 -4.697 -8.664 2.815 1.00 0.35 C ATOM 910 O ILE B 77 -3.669 -8.115 2.469 1.00 0.30 O ATOM 911 CB ILE B 77 -4.983 -9.957 4.939 1.00 0.52 C ATOM 912 CG1 ILE B 77 -5.142 -9.803 6.454 1.00 1.19 C ATOM 913 CG2 ILE B 77 -3.580 -10.483 4.628 1.00 1.41 C ATOM 914 CD1 ILE B 77 -3.944 -9.039 7.019 1.00 1.86 C ATOM 0 H ILE B 77 -7.238 -8.913 4.758 1.00 0.51 H new ATOM 0 HA ILE B 77 -4.616 -7.839 4.803 1.00 0.45 H new ATOM 0 HB ILE B 77 -5.725 -10.660 4.561 1.00 0.52 H new ATOM 0 HG12 ILE B 77 -6.066 -9.271 6.681 1.00 1.19 H new ATOM 0 HG13 ILE B 77 -5.216 -10.784 6.924 1.00 1.19 H new ATOM 0 HG21 ILE B 77 -3.440 -11.451 5.109 1.00 1.41 H new ATOM 0 HG22 ILE B 77 -3.463 -10.593 3.550 1.00 1.41 H new ATOM 0 HG23 ILE B 77 -2.836 -9.780 5.004 1.00 1.41 H new ATOM 0 HD11 ILE B 77 -4.058 -8.930 8.098 1.00 1.86 H new ATOM 0 HD12 ILE B 77 -3.028 -9.589 6.805 1.00 1.86 H new ATOM 0 HD13 ILE B 77 -3.891 -8.053 6.558 1.00 1.86 H new ATOM 926 N PHE B 78 -5.426 -9.339 1.962 1.00 0.37 N ATOM 927 CA PHE B 78 -4.996 -9.442 0.535 1.00 0.34 C ATOM 928 C PHE B 78 -4.855 -8.042 -0.062 1.00 0.29 C ATOM 929 O PHE B 78 -3.868 -7.719 -0.693 1.00 0.27 O ATOM 930 CB PHE B 78 -6.032 -10.233 -0.273 1.00 0.44 C ATOM 931 CG PHE B 78 -5.517 -11.632 -0.519 1.00 1.05 C ATOM 932 CD1 PHE B 78 -5.189 -12.459 0.562 1.00 1.97 C ATOM 933 CD2 PHE B 78 -5.366 -12.100 -1.829 1.00 1.80 C ATOM 934 CE1 PHE B 78 -4.711 -13.755 0.332 1.00 2.71 C ATOM 935 CE2 PHE B 78 -4.888 -13.396 -2.059 1.00 2.57 C ATOM 936 CZ PHE B 78 -4.560 -14.223 -0.979 1.00 2.81 C ATOM 0 H PHE B 78 -6.296 -9.821 2.191 1.00 0.37 H new ATOM 0 HA PHE B 78 -4.037 -9.958 0.493 1.00 0.34 H new ATOM 0 HB2 PHE B 78 -6.978 -10.272 0.267 1.00 0.44 H new ATOM 0 HB3 PHE B 78 -6.227 -9.734 -1.222 1.00 0.44 H new ATOM 0 HD1 PHE B 78 -5.305 -12.098 1.573 1.00 1.97 H new ATOM 0 HD2 PHE B 78 -5.618 -11.462 -2.663 1.00 1.80 H new ATOM 0 HE1 PHE B 78 -4.459 -14.393 1.166 1.00 2.71 H new ATOM 0 HE2 PHE B 78 -4.772 -13.757 -3.070 1.00 2.57 H new ATOM 0 HZ PHE B 78 -4.190 -15.222 -1.157 1.00 2.81 H new ATOM 946 N GLY B 79 -5.835 -7.203 0.140 1.00 0.30 N ATOM 947 CA GLY B 79 -5.755 -5.823 -0.407 1.00 0.28 C ATOM 948 C GLY B 79 -4.499 -5.139 0.130 1.00 0.22 C ATOM 949 O GLY B 79 -3.745 -4.529 -0.603 1.00 0.23 O ATOM 0 H GLY B 79 -6.686 -7.416 0.660 1.00 0.30 H new ATOM 0 HA2 GLY B 79 -5.730 -5.852 -1.496 1.00 0.28 H new ATOM 0 HA3 GLY B 79 -6.641 -5.255 -0.124 1.00 0.28 H new ATOM 953 N VAL B 80 -4.274 -5.236 1.410 1.00 0.22 N ATOM 954 CA VAL B 80 -3.074 -4.595 2.015 1.00 0.23 C ATOM 955 C VAL B 80 -1.810 -5.121 1.334 1.00 0.22 C ATOM 956 O VAL B 80 -0.936 -4.365 0.957 1.00 0.23 O ATOM 957 CB VAL B 80 -3.025 -4.924 3.510 1.00 0.27 C ATOM 958 CG1 VAL B 80 -1.892 -4.139 4.171 1.00 0.33 C ATOM 959 CG2 VAL B 80 -4.357 -4.545 4.166 1.00 0.30 C ATOM 0 H VAL B 80 -4.874 -5.735 2.067 1.00 0.22 H new ATOM 0 HA VAL B 80 -3.132 -3.515 1.879 1.00 0.23 H new ATOM 0 HB VAL B 80 -2.850 -5.992 3.637 1.00 0.27 H new ATOM 0 HG11 VAL B 80 -1.859 -4.374 5.235 1.00 0.33 H new ATOM 0 HG12 VAL B 80 -0.943 -4.411 3.709 1.00 0.33 H new ATOM 0 HG13 VAL B 80 -2.065 -3.071 4.041 1.00 0.33 H new ATOM 0 HG21 VAL B 80 -4.319 -4.780 5.230 1.00 0.30 H new ATOM 0 HG22 VAL B 80 -4.535 -3.478 4.037 1.00 0.30 H new ATOM 0 HG23 VAL B 80 -5.166 -5.107 3.699 1.00 0.30 H new ATOM 969 N MET B 81 -1.705 -6.411 1.172 1.00 0.22 N ATOM 970 CA MET B 81 -0.495 -6.979 0.516 1.00 0.23 C ATOM 971 C MET B 81 -0.331 -6.366 -0.875 1.00 0.24 C ATOM 972 O MET B 81 0.740 -5.936 -1.254 1.00 0.25 O ATOM 973 CB MET B 81 -0.650 -8.496 0.391 1.00 0.26 C ATOM 974 CG MET B 81 -0.722 -9.119 1.786 1.00 0.32 C ATOM 975 SD MET B 81 0.278 -10.627 1.828 1.00 1.15 S ATOM 976 CE MET B 81 -1.056 -11.793 1.462 1.00 1.83 C ATOM 0 H MET B 81 -2.403 -7.095 1.465 1.00 0.22 H new ATOM 0 HA MET B 81 0.385 -6.751 1.117 1.00 0.23 H new ATOM 0 HB2 MET B 81 -1.552 -8.735 -0.172 1.00 0.26 H new ATOM 0 HB3 MET B 81 0.191 -8.914 -0.162 1.00 0.26 H new ATOM 0 HG2 MET B 81 -0.361 -8.410 2.531 1.00 0.32 H new ATOM 0 HG3 MET B 81 -1.757 -9.349 2.040 1.00 0.32 H new ATOM 0 HE1 MET B 81 -0.657 -12.807 1.439 1.00 1.83 H new ATOM 0 HE2 MET B 81 -1.823 -11.723 2.234 1.00 1.83 H new ATOM 0 HE3 MET B 81 -1.493 -11.553 0.493 1.00 1.83 H new ATOM 986 N ALA B 82 -1.388 -6.320 -1.641 1.00 0.25 N ATOM 987 CA ALA B 82 -1.292 -5.733 -3.006 1.00 0.27 C ATOM 988 C ALA B 82 -0.779 -4.289 -2.914 1.00 0.26 C ATOM 989 O ALA B 82 0.108 -3.896 -3.645 1.00 0.27 O ATOM 990 CB ALA B 82 -2.664 -5.774 -3.694 1.00 0.31 C ATOM 0 H ALA B 82 -2.312 -6.663 -1.380 1.00 0.25 H new ATOM 0 HA ALA B 82 -0.590 -6.318 -3.601 1.00 0.27 H new ATOM 0 HB1 ALA B 82 -2.584 -5.343 -4.692 1.00 0.31 H new ATOM 0 HB2 ALA B 82 -3.001 -6.808 -3.772 1.00 0.31 H new ATOM 0 HB3 ALA B 82 -3.382 -5.201 -3.108 1.00 0.31 H new ATOM 996 N GLY B 83 -1.325 -3.490 -2.027 1.00 0.25 N ATOM 997 CA GLY B 83 -0.851 -2.083 -1.914 1.00 0.26 C ATOM 998 C GLY B 83 0.650 -2.068 -1.624 1.00 0.24 C ATOM 999 O GLY B 83 1.406 -1.344 -2.244 1.00 0.24 O ATOM 0 H GLY B 83 -2.072 -3.753 -1.384 1.00 0.25 H new ATOM 0 HA2 GLY B 83 -1.058 -1.544 -2.838 1.00 0.26 H new ATOM 0 HA3 GLY B 83 -1.390 -1.570 -1.118 1.00 0.26 H new ATOM 1003 N VAL B 84 1.090 -2.860 -0.684 1.00 0.22 N ATOM 1004 CA VAL B 84 2.542 -2.886 -0.353 1.00 0.21 C ATOM 1005 C VAL B 84 3.350 -3.234 -1.606 1.00 0.21 C ATOM 1006 O VAL B 84 4.331 -2.590 -1.921 1.00 0.21 O ATOM 1007 CB VAL B 84 2.797 -3.940 0.725 1.00 0.23 C ATOM 1008 CG1 VAL B 84 4.302 -4.145 0.894 1.00 0.28 C ATOM 1009 CG2 VAL B 84 2.197 -3.466 2.051 1.00 0.31 C ATOM 0 H VAL B 84 0.507 -3.489 -0.132 1.00 0.22 H new ATOM 0 HA VAL B 84 2.848 -1.906 0.013 1.00 0.21 H new ATOM 0 HB VAL B 84 2.333 -4.881 0.429 1.00 0.23 H new ATOM 0 HG11 VAL B 84 4.483 -4.896 1.663 1.00 0.28 H new ATOM 0 HG12 VAL B 84 4.732 -4.481 -0.050 1.00 0.28 H new ATOM 0 HG13 VAL B 84 4.766 -3.204 1.190 1.00 0.28 H new ATOM 0 HG21 VAL B 84 2.378 -4.216 2.821 1.00 0.31 H new ATOM 0 HG22 VAL B 84 2.662 -2.525 2.345 1.00 0.31 H new ATOM 0 HG23 VAL B 84 1.123 -3.319 1.933 1.00 0.31 H new ATOM 1019 N ILE B 85 2.949 -4.250 -2.323 1.00 0.23 N ATOM 1020 CA ILE B 85 3.698 -4.636 -3.549 1.00 0.25 C ATOM 1021 C ILE B 85 3.766 -3.451 -4.517 1.00 0.26 C ATOM 1022 O ILE B 85 4.812 -3.134 -5.046 1.00 0.26 O ATOM 1023 CB ILE B 85 2.990 -5.809 -4.230 1.00 0.30 C ATOM 1024 CG1 ILE B 85 3.095 -7.048 -3.339 1.00 0.32 C ATOM 1025 CG2 ILE B 85 3.653 -6.092 -5.578 1.00 0.40 C ATOM 1026 CD1 ILE B 85 2.099 -8.107 -3.816 1.00 1.06 C ATOM 0 H ILE B 85 2.135 -4.828 -2.111 1.00 0.23 H new ATOM 0 HA ILE B 85 4.711 -4.929 -3.271 1.00 0.25 H new ATOM 0 HB ILE B 85 1.941 -5.561 -4.388 1.00 0.30 H new ATOM 0 HG12 ILE B 85 4.109 -7.447 -3.371 1.00 0.32 H new ATOM 0 HG13 ILE B 85 2.890 -6.782 -2.302 1.00 0.32 H new ATOM 0 HG21 ILE B 85 3.149 -6.928 -6.063 1.00 0.40 H new ATOM 0 HG22 ILE B 85 3.582 -5.208 -6.211 1.00 0.40 H new ATOM 0 HG23 ILE B 85 4.702 -6.343 -5.422 1.00 0.40 H new ATOM 0 HD11 ILE B 85 2.174 -8.990 -3.181 1.00 1.06 H new ATOM 0 HD12 ILE B 85 1.087 -7.706 -3.761 1.00 1.06 H new ATOM 0 HD13 ILE B 85 2.325 -8.381 -4.846 1.00 1.06 H new ATOM 1038 N GLY B 86 2.661 -2.795 -4.757 1.00 0.27 N ATOM 1039 CA GLY B 86 2.681 -1.639 -5.695 1.00 0.30 C ATOM 1040 C GLY B 86 3.693 -0.601 -5.210 1.00 0.27 C ATOM 1041 O GLY B 86 4.504 -0.109 -5.969 1.00 0.29 O ATOM 0 H GLY B 86 1.752 -3.009 -4.346 1.00 0.27 H new ATOM 0 HA2 GLY B 86 2.943 -1.976 -6.698 1.00 0.30 H new ATOM 0 HA3 GLY B 86 1.689 -1.192 -5.758 1.00 0.30 H new ATOM 1045 N THR B 87 3.659 -0.266 -3.949 1.00 0.24 N ATOM 1046 CA THR B 87 4.627 0.737 -3.425 1.00 0.24 C ATOM 1047 C THR B 87 6.053 0.254 -3.696 1.00 0.24 C ATOM 1048 O THR B 87 6.891 0.990 -4.181 1.00 0.28 O ATOM 1049 CB THR B 87 4.420 0.905 -1.917 1.00 0.25 C ATOM 1050 OG1 THR B 87 3.072 1.280 -1.665 1.00 0.32 O ATOM 1051 CG2 THR B 87 5.360 1.990 -1.387 1.00 0.28 C ATOM 0 H THR B 87 3.005 -0.642 -3.262 1.00 0.24 H new ATOM 0 HA THR B 87 4.467 1.694 -3.921 1.00 0.24 H new ATOM 0 HB THR B 87 4.637 -0.037 -1.414 1.00 0.25 H new ATOM 0 HG1 THR B 87 2.497 0.488 -1.716 1.00 0.32 H new ATOM 0 HG21 THR B 87 5.211 2.108 -0.314 1.00 0.28 H new ATOM 0 HG22 THR B 87 6.393 1.702 -1.580 1.00 0.28 H new ATOM 0 HG23 THR B 87 5.146 2.934 -1.889 1.00 0.28 H new ATOM 1059 N ILE B 88 6.332 -0.985 -3.391 1.00 0.23 N ATOM 1060 CA ILE B 88 7.699 -1.527 -3.632 1.00 0.29 C ATOM 1061 C ILE B 88 8.059 -1.376 -5.112 1.00 0.33 C ATOM 1062 O ILE B 88 9.134 -0.930 -5.458 1.00 0.40 O ATOM 1063 CB ILE B 88 7.732 -3.007 -3.249 1.00 0.33 C ATOM 1064 CG1 ILE B 88 7.575 -3.141 -1.732 1.00 0.34 C ATOM 1065 CG2 ILE B 88 9.067 -3.618 -3.680 1.00 0.40 C ATOM 1066 CD1 ILE B 88 7.710 -4.610 -1.330 1.00 0.41 C ATOM 0 H ILE B 88 5.670 -1.646 -2.984 1.00 0.23 H new ATOM 0 HA ILE B 88 8.419 -0.976 -3.027 1.00 0.29 H new ATOM 0 HB ILE B 88 6.917 -3.531 -3.749 1.00 0.33 H new ATOM 0 HG12 ILE B 88 8.332 -2.543 -1.224 1.00 0.34 H new ATOM 0 HG13 ILE B 88 6.604 -2.756 -1.421 1.00 0.34 H new ATOM 0 HG21 ILE B 88 9.090 -4.673 -3.407 1.00 0.40 H new ATOM 0 HG22 ILE B 88 9.180 -3.521 -4.760 1.00 0.40 H new ATOM 0 HG23 ILE B 88 9.884 -3.096 -3.181 1.00 0.40 H new ATOM 0 HD11 ILE B 88 7.598 -4.703 -0.250 1.00 0.41 H new ATOM 0 HD12 ILE B 88 6.937 -5.196 -1.827 1.00 0.41 H new ATOM 0 HD13 ILE B 88 8.692 -4.980 -1.626 1.00 0.41 H new ATOM 1078 N LEU B 89 7.164 -1.749 -5.986 1.00 0.33 N ATOM 1079 CA LEU B 89 7.448 -1.635 -7.442 1.00 0.41 C ATOM 1080 C LEU B 89 7.790 -0.178 -7.777 1.00 0.44 C ATOM 1081 O LEU B 89 8.753 0.100 -8.465 1.00 0.51 O ATOM 1082 CB LEU B 89 6.212 -2.127 -8.231 1.00 0.44 C ATOM 1083 CG LEU B 89 5.709 -1.061 -9.214 1.00 0.76 C ATOM 1084 CD1 LEU B 89 6.739 -0.862 -10.327 1.00 1.14 C ATOM 1085 CD2 LEU B 89 4.382 -1.518 -9.825 1.00 1.06 C ATOM 0 H LEU B 89 6.247 -2.129 -5.752 1.00 0.33 H new ATOM 0 HA LEU B 89 8.302 -2.253 -7.720 1.00 0.41 H new ATOM 0 HB2 LEU B 89 6.466 -3.036 -8.777 1.00 0.44 H new ATOM 0 HB3 LEU B 89 5.414 -2.386 -7.535 1.00 0.44 H new ATOM 0 HG LEU B 89 5.563 -0.120 -8.684 1.00 0.76 H new ATOM 0 HD11 LEU B 89 6.380 -0.105 -11.024 1.00 1.14 H new ATOM 0 HD12 LEU B 89 7.685 -0.537 -9.894 1.00 1.14 H new ATOM 0 HD13 LEU B 89 6.887 -1.802 -10.858 1.00 1.14 H new ATOM 0 HD21 LEU B 89 4.023 -0.762 -10.523 1.00 1.06 H new ATOM 0 HD22 LEU B 89 4.530 -2.459 -10.354 1.00 1.06 H new ATOM 0 HD23 LEU B 89 3.646 -1.659 -9.033 1.00 1.06 H new ATOM 1097 N LEU B 90 7.012 0.752 -7.297 1.00 0.40 N ATOM 1098 CA LEU B 90 7.302 2.186 -7.598 1.00 0.47 C ATOM 1099 C LEU B 90 8.719 2.523 -7.127 1.00 0.51 C ATOM 1100 O LEU B 90 9.496 3.121 -7.846 1.00 0.60 O ATOM 1101 CB LEU B 90 6.299 3.089 -6.871 1.00 0.47 C ATOM 1102 CG LEU B 90 5.749 4.130 -7.845 1.00 1.14 C ATOM 1103 CD1 LEU B 90 6.909 4.892 -8.489 1.00 2.02 C ATOM 1104 CD2 LEU B 90 4.935 3.428 -8.935 1.00 1.67 C ATOM 0 H LEU B 90 6.193 0.585 -6.713 1.00 0.40 H new ATOM 0 HA LEU B 90 7.218 2.351 -8.672 1.00 0.47 H new ATOM 0 HB2 LEU B 90 5.484 2.491 -6.464 1.00 0.47 H new ATOM 0 HB3 LEU B 90 6.783 3.584 -6.029 1.00 0.47 H new ATOM 0 HG LEU B 90 5.110 4.829 -7.305 1.00 1.14 H new ATOM 0 HD11 LEU B 90 6.516 5.634 -9.184 1.00 2.02 H new ATOM 0 HD12 LEU B 90 7.490 5.392 -7.714 1.00 2.02 H new ATOM 0 HD13 LEU B 90 7.548 4.193 -9.028 1.00 2.02 H new ATOM 0 HD21 LEU B 90 4.542 4.170 -9.630 1.00 1.67 H new ATOM 0 HD22 LEU B 90 5.575 2.729 -9.473 1.00 1.67 H new ATOM 0 HD23 LEU B 90 4.108 2.885 -8.478 1.00 1.67 H new ATOM 1116 N ILE B 91 9.065 2.139 -5.929 1.00 0.47 N ATOM 1117 CA ILE B 91 10.434 2.433 -5.419 1.00 0.57 C ATOM 1118 C ILE B 91 11.474 1.834 -6.363 1.00 0.65 C ATOM 1119 O ILE B 91 12.430 2.485 -6.737 1.00 0.77 O ATOM 1120 CB ILE B 91 10.603 1.834 -4.021 1.00 0.55 C ATOM 1121 CG1 ILE B 91 9.518 2.390 -3.096 1.00 0.51 C ATOM 1122 CG2 ILE B 91 11.981 2.205 -3.470 1.00 0.66 C ATOM 1123 CD1 ILE B 91 9.512 1.603 -1.784 1.00 0.54 C ATOM 0 H ILE B 91 8.459 1.635 -5.282 1.00 0.47 H new ATOM 0 HA ILE B 91 10.574 3.513 -5.367 1.00 0.57 H new ATOM 0 HB ILE B 91 10.514 0.749 -4.077 1.00 0.55 H new ATOM 0 HG12 ILE B 91 9.701 3.446 -2.898 1.00 0.51 H new ATOM 0 HG13 ILE B 91 8.543 2.320 -3.579 1.00 0.51 H new ATOM 0 HG21 ILE B 91 12.102 1.778 -2.474 1.00 0.66 H new ATOM 0 HG22 ILE B 91 12.755 1.811 -4.129 1.00 0.66 H new ATOM 0 HG23 ILE B 91 12.070 3.290 -3.413 1.00 0.66 H new ATOM 0 HD11 ILE B 91 8.739 1.999 -1.125 1.00 0.54 H new ATOM 0 HD12 ILE B 91 9.309 0.552 -1.991 1.00 0.54 H new ATOM 0 HD13 ILE B 91 10.484 1.696 -1.300 1.00 0.54 H new ATOM 1135 N SER B 92 11.306 0.601 -6.757 1.00 0.63 N ATOM 1136 CA SER B 92 12.303 -0.011 -7.674 1.00 0.76 C ATOM 1137 C SER B 92 12.406 0.845 -8.937 1.00 0.83 C ATOM 1138 O SER B 92 13.485 1.187 -9.378 1.00 0.95 O ATOM 1139 CB SER B 92 11.855 -1.425 -8.048 1.00 0.74 C ATOM 1140 OG SER B 92 11.359 -2.080 -6.888 1.00 1.53 O ATOM 0 H SER B 92 10.529 -0.002 -6.486 1.00 0.63 H new ATOM 0 HA SER B 92 13.275 -0.062 -7.182 1.00 0.76 H new ATOM 0 HB2 SER B 92 11.082 -1.383 -8.815 1.00 0.74 H new ATOM 0 HB3 SER B 92 12.691 -1.985 -8.467 1.00 0.74 H new ATOM 0 HG SER B 92 11.069 -2.986 -7.123 1.00 1.53 H new ATOM 1146 N TYR B 93 11.293 1.211 -9.515 1.00 0.77 N ATOM 1147 CA TYR B 93 11.344 2.063 -10.735 1.00 0.87 C ATOM 1148 C TYR B 93 12.102 3.355 -10.417 1.00 0.94 C ATOM 1149 O TYR B 93 12.982 3.765 -11.148 1.00 1.07 O ATOM 1150 CB TYR B 93 9.922 2.402 -11.188 1.00 0.83 C ATOM 1151 CG TYR B 93 9.914 2.630 -12.681 1.00 1.09 C ATOM 1152 CD1 TYR B 93 10.228 1.579 -13.551 1.00 1.68 C ATOM 1153 CD2 TYR B 93 9.593 3.893 -13.195 1.00 1.74 C ATOM 1154 CE1 TYR B 93 10.222 1.790 -14.934 1.00 2.03 C ATOM 1155 CE2 TYR B 93 9.587 4.103 -14.580 1.00 1.99 C ATOM 1156 CZ TYR B 93 9.902 3.051 -15.449 1.00 1.84 C ATOM 1157 OH TYR B 93 9.896 3.260 -16.813 1.00 2.25 O ATOM 0 H TYR B 93 10.357 0.958 -9.197 1.00 0.77 H new ATOM 0 HA TYR B 93 11.855 1.525 -11.533 1.00 0.87 H new ATOM 0 HB2 TYR B 93 9.242 1.590 -10.929 1.00 0.83 H new ATOM 0 HB3 TYR B 93 9.566 3.293 -10.671 1.00 0.83 H new ATOM 0 HD1 TYR B 93 10.475 0.605 -13.154 1.00 1.68 H new ATOM 0 HD2 TYR B 93 9.350 4.704 -12.524 1.00 1.74 H new ATOM 0 HE1 TYR B 93 10.465 0.979 -15.605 1.00 2.03 H new ATOM 0 HE2 TYR B 93 9.339 5.076 -14.978 1.00 1.99 H new ATOM 0 HH TYR B 93 9.652 4.190 -17.000 1.00 2.25 H new ATOM 1167 N GLY B 94 11.773 3.993 -9.324 1.00 0.88 N ATOM 1168 CA GLY B 94 12.480 5.250 -8.951 1.00 0.98 C ATOM 1169 C GLY B 94 13.977 4.970 -8.841 1.00 1.10 C ATOM 1170 O GLY B 94 14.797 5.697 -9.366 1.00 1.24 O ATOM 0 H GLY B 94 11.045 3.696 -8.674 1.00 0.88 H new ATOM 0 HA2 GLY B 94 12.296 6.021 -9.699 1.00 0.98 H new ATOM 0 HA3 GLY B 94 12.098 5.629 -8.003 1.00 0.98 H new ATOM 1174 N ILE B 95 14.340 3.914 -8.163 1.00 1.07 N ATOM 1175 CA ILE B 95 15.791 3.585 -8.024 1.00 1.22 C ATOM 1176 C ILE B 95 16.403 3.442 -9.423 1.00 1.34 C ATOM 1177 O ILE B 95 17.454 3.982 -9.708 1.00 1.50 O ATOM 1178 CB ILE B 95 15.955 2.271 -7.233 1.00 1.20 C ATOM 1179 CG1 ILE B 95 15.982 2.581 -5.733 1.00 1.37 C ATOM 1180 CG2 ILE B 95 17.264 1.572 -7.617 1.00 1.50 C ATOM 1181 CD1 ILE B 95 15.129 1.557 -4.982 1.00 1.81 C ATOM 0 H ILE B 95 13.700 3.268 -7.701 1.00 1.07 H new ATOM 0 HA ILE B 95 16.302 4.381 -7.483 1.00 1.22 H new ATOM 0 HB ILE B 95 15.117 1.616 -7.469 1.00 1.20 H new ATOM 0 HG12 ILE B 95 17.007 2.555 -5.364 1.00 1.37 H new ATOM 0 HG13 ILE B 95 15.603 3.587 -5.552 1.00 1.37 H new ATOM 0 HG21 ILE B 95 17.363 0.647 -7.049 1.00 1.50 H new ATOM 0 HG22 ILE B 95 17.256 1.344 -8.683 1.00 1.50 H new ATOM 0 HG23 ILE B 95 18.106 2.227 -7.392 1.00 1.50 H new ATOM 0 HD11 ILE B 95 15.149 1.779 -3.915 1.00 1.81 H new ATOM 0 HD12 ILE B 95 14.102 1.605 -5.343 1.00 1.81 H new ATOM 0 HD13 ILE B 95 15.527 0.557 -5.152 1.00 1.81 H new ATOM 1193 N ARG B 96 15.758 2.718 -10.298 1.00 1.29 N ATOM 1194 CA ARG B 96 16.312 2.548 -11.670 1.00 1.42 C ATOM 1195 C ARG B 96 16.511 3.920 -12.314 1.00 1.52 C ATOM 1196 O ARG B 96 17.547 4.209 -12.880 1.00 1.68 O ATOM 1197 CB ARG B 96 15.332 1.732 -12.515 1.00 1.36 C ATOM 1198 CG ARG B 96 15.070 0.385 -11.841 1.00 1.61 C ATOM 1199 CD ARG B 96 15.315 -0.742 -12.845 1.00 1.77 C ATOM 1200 NE ARG B 96 14.231 -0.739 -13.867 1.00 1.70 N ATOM 1201 CZ ARG B 96 14.379 -1.406 -14.979 1.00 2.10 C ATOM 1202 NH1 ARG B 96 14.924 -2.591 -14.961 1.00 2.69 N ATOM 1203 NH2 ARG B 96 13.983 -0.888 -16.109 1.00 2.54 N ATOM 0 H ARG B 96 14.875 2.239 -10.122 1.00 1.29 H new ATOM 0 HA ARG B 96 17.269 2.029 -11.613 1.00 1.42 H new ATOM 0 HB2 ARG B 96 14.396 2.278 -12.634 1.00 1.36 H new ATOM 0 HB3 ARG B 96 15.740 1.577 -13.514 1.00 1.36 H new ATOM 0 HG2 ARG B 96 15.723 0.265 -10.977 1.00 1.61 H new ATOM 0 HG3 ARG B 96 14.045 0.343 -11.474 1.00 1.61 H new ATOM 0 HD2 ARG B 96 16.284 -0.611 -13.326 1.00 1.77 H new ATOM 0 HD3 ARG B 96 15.342 -1.703 -12.331 1.00 1.77 H new ATOM 0 HE ARG B 96 13.372 -0.215 -13.697 1.00 1.70 H new ATOM 0 HH11 ARG B 96 15.234 -2.996 -14.078 1.00 2.69 H new ATOM 0 HH12 ARG B 96 15.040 -3.112 -15.830 1.00 2.69 H new ATOM 0 HH21 ARG B 96 13.557 0.039 -16.124 1.00 2.54 H new ATOM 0 HH22 ARG B 96 14.099 -1.410 -16.978 1.00 2.54 H new ATOM 1217 N ARG B 97 15.525 4.769 -12.233 1.00 1.43 N ATOM 1218 CA ARG B 97 15.654 6.123 -12.838 1.00 1.55 C ATOM 1219 C ARG B 97 16.865 6.846 -12.247 1.00 1.67 C ATOM 1220 O ARG B 97 17.663 7.424 -12.958 1.00 1.83 O ATOM 1221 CB ARG B 97 14.386 6.933 -12.555 1.00 1.45 C ATOM 1222 CG ARG B 97 14.544 8.345 -13.124 1.00 1.62 C ATOM 1223 CD ARG B 97 13.171 9.013 -13.214 1.00 1.72 C ATOM 1224 NE ARG B 97 13.005 9.625 -14.563 1.00 2.17 N ATOM 1225 CZ ARG B 97 11.823 10.005 -14.971 1.00 2.50 C ATOM 1226 NH1 ARG B 97 10.765 9.749 -14.249 1.00 2.89 N ATOM 1227 NH2 ARG B 97 11.700 10.644 -16.101 1.00 3.17 N ATOM 0 H ARG B 97 14.634 4.583 -11.773 1.00 1.43 H new ATOM 0 HA ARG B 97 15.789 6.021 -13.915 1.00 1.55 H new ATOM 0 HB2 ARG B 97 13.521 6.443 -13.003 1.00 1.45 H new ATOM 0 HB3 ARG B 97 14.204 6.980 -11.481 1.00 1.45 H new ATOM 0 HG2 ARG B 97 15.206 8.933 -12.488 1.00 1.62 H new ATOM 0 HG3 ARG B 97 15.005 8.302 -14.111 1.00 1.62 H new ATOM 0 HD2 ARG B 97 12.385 8.279 -13.036 1.00 1.72 H new ATOM 0 HD3 ARG B 97 13.075 9.776 -12.442 1.00 1.72 H new ATOM 0 HE ARG B 97 13.816 9.748 -15.169 1.00 2.17 H new ATOM 0 HH11 ARG B 97 10.860 9.251 -13.364 1.00 2.89 H new ATOM 0 HH12 ARG B 97 9.844 10.047 -14.570 1.00 2.89 H new ATOM 0 HH21 ARG B 97 12.526 10.846 -16.665 1.00 3.17 H new ATOM 0 HH22 ARG B 97 10.778 10.941 -16.421 1.00 3.17 H new ATOM 1241 N LEU B 98 17.006 6.823 -10.951 1.00 1.62 N ATOM 1242 CA LEU B 98 18.162 7.514 -10.316 1.00 1.76 C ATOM 1243 C LEU B 98 19.463 6.963 -10.900 1.00 1.92 C ATOM 1244 O LEU B 98 20.352 7.705 -11.271 1.00 2.09 O ATOM 1245 CB LEU B 98 18.136 7.268 -8.806 1.00 1.69 C ATOM 1246 CG LEU B 98 17.740 8.557 -8.085 1.00 1.72 C ATOM 1247 CD1 LEU B 98 16.852 8.218 -6.886 1.00 1.72 C ATOM 1248 CD2 LEU B 98 19.000 9.274 -7.599 1.00 2.01 C ATOM 0 H LEU B 98 16.371 6.356 -10.304 1.00 1.62 H new ATOM 0 HA LEU B 98 18.099 8.585 -10.510 1.00 1.76 H new ATOM 0 HB2 LEU B 98 17.428 6.474 -8.569 1.00 1.69 H new ATOM 0 HB3 LEU B 98 19.116 6.934 -8.464 1.00 1.69 H new ATOM 0 HG LEU B 98 17.193 9.205 -8.770 1.00 1.72 H new ATOM 0 HD11 LEU B 98 16.569 9.136 -6.371 1.00 1.72 H new ATOM 0 HD12 LEU B 98 15.955 7.705 -7.231 1.00 1.72 H new ATOM 0 HD13 LEU B 98 17.399 7.571 -6.200 1.00 1.72 H new ATOM 0 HD21 LEU B 98 18.720 10.193 -7.085 1.00 2.01 H new ATOM 0 HD22 LEU B 98 19.546 8.626 -6.913 1.00 2.01 H new ATOM 0 HD23 LEU B 98 19.634 9.514 -8.452 1.00 2.01 H new ATOM 1260 N ILE B 99 19.578 5.669 -10.987 1.00 1.89 N ATOM 1261 CA ILE B 99 20.818 5.066 -11.549 1.00 2.07 C ATOM 1262 C ILE B 99 20.853 5.291 -13.062 1.00 2.17 C ATOM 1263 O ILE B 99 21.888 5.194 -13.690 1.00 2.50 O ATOM 1264 CB ILE B 99 20.819 3.566 -11.263 1.00 2.14 C ATOM 1265 CG1 ILE B 99 19.562 2.938 -11.868 1.00 2.13 C ATOM 1266 CG2 ILE B 99 20.825 3.333 -9.750 1.00 2.25 C ATOM 1267 CD1 ILE B 99 19.637 1.416 -11.734 1.00 2.38 C ATOM 0 H ILE B 99 18.866 5.001 -10.693 1.00 1.89 H new ATOM 0 HA ILE B 99 21.691 5.530 -11.091 1.00 2.07 H new ATOM 0 HB ILE B 99 21.706 3.111 -11.703 1.00 2.14 H new ATOM 0 HG12 ILE B 99 18.674 3.315 -11.361 1.00 2.13 H new ATOM 0 HG13 ILE B 99 19.472 3.217 -12.918 1.00 2.13 H new ATOM 0 HG21 ILE B 99 20.826 2.262 -9.547 1.00 2.25 H new ATOM 0 HG22 ILE B 99 21.717 3.785 -9.316 1.00 2.25 H new ATOM 0 HG23 ILE B 99 19.937 3.785 -9.309 1.00 2.25 H new ATOM 0 HD11 ILE B 99 18.742 0.968 -12.165 1.00 2.38 H new ATOM 0 HD12 ILE B 99 20.517 1.047 -12.261 1.00 2.38 H new ATOM 0 HD13 ILE B 99 19.706 1.147 -10.680 1.00 2.38 H new ATOM 1279 N LYS B 100 19.727 5.586 -13.652 1.00 2.25 N ATOM 1280 CA LYS B 100 19.694 5.811 -15.124 1.00 2.60 C ATOM 1281 C LYS B 100 19.104 7.194 -15.419 1.00 2.97 C ATOM 1282 O LYS B 100 18.102 7.319 -16.096 1.00 3.27 O ATOM 1283 CB LYS B 100 18.827 4.735 -15.781 1.00 2.80 C ATOM 1284 CG LYS B 100 19.676 3.921 -16.759 1.00 3.38 C ATOM 1285 CD LYS B 100 19.797 4.678 -18.082 1.00 3.94 C ATOM 1286 CE LYS B 100 20.248 3.716 -19.183 1.00 4.56 C ATOM 1287 NZ LYS B 100 19.069 3.313 -20.001 1.00 5.22 N ATOM 0 H LYS B 100 18.829 5.681 -13.178 1.00 2.25 H new ATOM 0 HA LYS B 100 20.707 5.758 -15.523 1.00 2.60 H new ATOM 0 HB2 LYS B 100 18.402 4.080 -15.020 1.00 2.80 H new ATOM 0 HB3 LYS B 100 17.991 5.197 -16.306 1.00 2.80 H new ATOM 0 HG2 LYS B 100 20.665 3.743 -16.338 1.00 3.38 H new ATOM 0 HG3 LYS B 100 19.221 2.945 -16.927 1.00 3.38 H new ATOM 0 HD2 LYS B 100 18.839 5.125 -18.346 1.00 3.94 H new ATOM 0 HD3 LYS B 100 20.513 5.494 -17.982 1.00 3.94 H new ATOM 0 HE2 LYS B 100 20.997 4.194 -19.815 1.00 4.56 H new ATOM 0 HE3 LYS B 100 20.717 2.836 -18.743 1.00 4.56 H new ATOM 0 HZ1 LYS B 100 19.373 2.659 -20.750 1.00 5.22 H new ATOM 0 HZ2 LYS B 100 18.369 2.841 -19.393 1.00 5.22 H new ATOM 0 HZ3 LYS B 100 18.640 4.157 -20.432 1.00 5.22 H new ATOM 1301 N LYS B 101 19.719 8.231 -14.921 1.00 3.27 N ATOM 1302 CA LYS B 101 19.194 9.603 -15.175 1.00 3.83 C ATOM 1303 C LYS B 101 17.740 9.690 -14.705 1.00 4.00 C ATOM 1304 O LYS B 101 17.532 9.858 -13.516 1.00 4.36 O ATOM 1305 CB LYS B 101 19.264 9.907 -16.674 1.00 4.43 C ATOM 1306 CG LYS B 101 20.180 11.108 -16.910 1.00 5.03 C ATOM 1307 CD LYS B 101 19.543 12.362 -16.310 1.00 5.77 C ATOM 1308 CE LYS B 101 20.590 13.474 -16.222 1.00 6.68 C ATOM 1309 NZ LYS B 101 20.020 14.736 -16.774 1.00 7.38 N ATOM 1310 OXT LYS B 101 16.860 9.588 -15.544 1.00 4.28 O ATOM 0 H LYS B 101 20.562 8.188 -14.349 1.00 3.27 H new ATOM 0 HA LYS B 101 19.796 10.328 -14.628 1.00 3.83 H new ATOM 0 HB2 LYS B 101 19.640 9.038 -17.215 1.00 4.43 H new ATOM 0 HB3 LYS B 101 18.266 10.116 -17.060 1.00 4.43 H new ATOM 0 HG2 LYS B 101 21.155 10.930 -16.456 1.00 5.03 H new ATOM 0 HG3 LYS B 101 20.346 11.247 -17.978 1.00 5.03 H new ATOM 0 HD2 LYS B 101 18.704 12.686 -16.925 1.00 5.77 H new ATOM 0 HD3 LYS B 101 19.146 12.142 -15.319 1.00 5.77 H new ATOM 0 HE2 LYS B 101 20.893 13.622 -15.186 1.00 6.68 H new ATOM 0 HE3 LYS B 101 21.484 13.192 -16.778 1.00 6.68 H new ATOM 0 HZ1 LYS B 101 20.731 15.493 -16.715 1.00 7.38 H new ATOM 0 HZ2 LYS B 101 19.752 14.590 -17.768 1.00 7.38 H new ATOM 0 HZ3 LYS B 101 19.179 15.007 -16.225 1.00 7.38 H new TER 1324 LYS B 101