USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=10 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= -0.395 X(o=-0.39,f=-0.56) USER MOD Single : A 66 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.36) USER MOD Single : A 67 HIS : no HD1:sc= -0.427 X(o=-0.43,f=-0.19) USER MOD Single : A 69 SER OG : rot 146:sc= 0.198 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 -20:sc= -2.67! 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= -0.998 K(o=-1,f=-2) USER MOD Single : B 66 HIS : no HD1:sc= -1.76! C(o=-1.8!,f=-3.7!) USER MOD Single : B 67 HIS : no HD1:sc= -0.347 X(o=-0.35,f=-0.18) USER MOD Single : B 69 SER OG : rot 180:sc= -0.106 USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 THR OG1 : rot -40:sc= -3.87! USER MOD Single : B 92 SER OG : rot 180:sc= 0 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 -25.689 -8.334 26.158 1.00 18.74 N ATOM 2 CA VAL A 62 -26.771 -8.370 25.134 1.00 18.11 C ATOM 3 C VAL A 62 -26.215 -8.926 23.821 1.00 17.30 C ATOM 4 O VAL A 62 -26.931 -9.509 23.032 1.00 17.26 O ATOM 5 CB VAL A 62 -27.300 -6.955 24.902 1.00 18.42 C ATOM 6 CG1 VAL A 62 -26.136 -6.022 24.561 1.00 18.58 C ATOM 7 CG2 VAL A 62 -28.297 -6.970 23.741 1.00 18.59 C ATOM 0 HA VAL A 62 -27.581 -9.009 25.485 1.00 18.11 H new ATOM 0 HB VAL A 62 -27.796 -6.600 25.805 1.00 18.42 H new ATOM 0 HG11 VAL A 62 -26.515 -5.013 24.396 1.00 18.58 H new ATOM 0 HG12 VAL A 62 -25.424 -6.012 25.386 1.00 18.58 H new ATOM 0 HG13 VAL A 62 -25.639 -6.375 23.658 1.00 18.58 H new ATOM 0 HG21 VAL A 62 -28.676 -5.962 23.574 1.00 18.59 H new ATOM 0 HG22 VAL A 62 -27.799 -7.325 22.839 1.00 18.59 H new ATOM 0 HG23 VAL A 62 -29.127 -7.634 23.983 1.00 18.59 H new ATOM 19 N GLN A 63 -24.945 -8.748 23.579 1.00 16.78 N ATOM 20 CA GLN A 63 -24.351 -9.268 22.315 1.00 16.11 C ATOM 21 C GLN A 63 -22.860 -8.929 22.273 1.00 15.69 C ATOM 22 O GLN A 63 -22.440 -7.876 22.711 1.00 15.68 O ATOM 23 CB GLN A 63 -25.055 -8.622 21.120 1.00 16.10 C ATOM 24 CG GLN A 63 -24.362 -9.043 19.822 1.00 15.49 C ATOM 25 CD GLN A 63 -24.641 -10.523 19.553 1.00 15.09 C ATOM 26 OE1 GLN A 63 -25.768 -10.967 19.646 1.00 15.39 O ATOM 27 NE2 GLN A 63 -23.655 -11.310 19.220 1.00 14.56 N ATOM 0 H GLN A 63 -24.295 -8.266 24.200 1.00 16.78 H new ATOM 0 HA GLN A 63 -24.477 -10.350 22.272 1.00 16.11 H new ATOM 0 HB2 GLN A 63 -26.103 -8.922 21.098 1.00 16.10 H new ATOM 0 HB3 GLN A 63 -25.036 -7.537 21.218 1.00 16.10 H new ATOM 0 HG2 GLN A 63 -24.723 -8.437 18.991 1.00 15.49 H new ATOM 0 HG3 GLN A 63 -23.288 -8.872 19.898 1.00 15.49 H new ATOM 0 HE21 GLN A 63 -22.709 -10.937 19.142 1.00 14.56 H new ATOM 0 HE22 GLN A 63 -23.830 -12.298 19.038 1.00 14.56 H new ATOM 36 N LEU A 64 -22.057 -9.813 21.749 1.00 15.49 N ATOM 37 CA LEU A 64 -20.594 -9.544 21.675 1.00 15.26 C ATOM 38 C LEU A 64 -20.305 -8.626 20.488 1.00 14.77 C ATOM 39 O LEU A 64 -19.675 -7.595 20.624 1.00 14.94 O ATOM 40 CB LEU A 64 -19.842 -10.862 21.485 1.00 15.58 C ATOM 41 CG LEU A 64 -18.717 -10.964 22.514 1.00 15.97 C ATOM 42 CD1 LEU A 64 -18.552 -12.421 22.950 1.00 16.71 C ATOM 43 CD2 LEU A 64 -17.408 -10.471 21.891 1.00 16.05 C ATOM 0 H LEU A 64 -22.352 -10.712 21.368 1.00 15.49 H new ATOM 0 HA LEU A 64 -20.267 -9.065 22.598 1.00 15.26 H new ATOM 0 HB2 LEU A 64 -20.527 -11.702 21.596 1.00 15.58 H new ATOM 0 HB3 LEU A 64 -19.432 -10.916 20.477 1.00 15.58 H new ATOM 0 HG LEU A 64 -18.964 -10.350 23.380 1.00 15.97 H new ATOM 0 HD11 LEU A 64 -17.749 -12.492 23.684 1.00 16.71 H new ATOM 0 HD12 LEU A 64 -19.482 -12.776 23.394 1.00 16.71 H new ATOM 0 HD13 LEU A 64 -18.307 -13.035 22.083 1.00 16.71 H new ATOM 0 HD21 LEU A 64 -16.606 -10.544 22.625 1.00 16.05 H new ATOM 0 HD22 LEU A 64 -17.164 -11.085 21.024 1.00 16.05 H new ATOM 0 HD23 LEU A 64 -17.522 -9.433 21.580 1.00 16.05 H new ATOM 55 N ALA A 65 -20.755 -8.996 19.322 1.00 14.32 N ATOM 56 CA ALA A 65 -20.504 -8.152 18.123 1.00 14.03 C ATOM 57 C ALA A 65 -19.000 -8.096 17.850 1.00 13.34 C ATOM 58 O ALA A 65 -18.395 -7.043 17.863 1.00 13.29 O ATOM 59 CB ALA A 65 -21.033 -6.738 18.373 1.00 14.31 C ATOM 0 H ALA A 65 -21.287 -9.849 19.148 1.00 14.32 H new ATOM 0 HA ALA A 65 -21.015 -8.581 17.261 1.00 14.03 H new ATOM 0 HB1 ALA A 65 -20.849 -6.120 17.494 1.00 14.31 H new ATOM 0 HB2 ALA A 65 -22.104 -6.780 18.569 1.00 14.31 H new ATOM 0 HB3 ALA A 65 -20.523 -6.306 19.234 1.00 14.31 H new ATOM 65 N HIS A 66 -18.394 -9.227 17.605 1.00 12.98 N ATOM 66 CA HIS A 66 -16.929 -9.248 17.334 1.00 12.48 C ATOM 67 C HIS A 66 -16.565 -8.093 16.397 1.00 11.62 C ATOM 68 O HIS A 66 -15.798 -7.217 16.746 1.00 11.76 O ATOM 69 CB HIS A 66 -16.553 -10.577 16.676 1.00 12.81 C ATOM 70 CG HIS A 66 -15.534 -11.286 17.524 1.00 13.36 C ATOM 71 ND1 HIS A 66 -14.433 -10.633 18.056 1.00 13.57 N ATOM 72 CD2 HIS A 66 -15.434 -12.589 17.942 1.00 13.93 C ATOM 73 CE1 HIS A 66 -13.725 -11.537 18.756 1.00 14.23 C ATOM 74 NE2 HIS A 66 -14.291 -12.746 18.720 1.00 14.47 N ATOM 0 H HIS A 66 -18.852 -10.138 17.581 1.00 12.98 H new ATOM 0 HA HIS A 66 -16.384 -9.139 18.272 1.00 12.48 H new ATOM 0 HB2 HIS A 66 -17.440 -11.200 16.557 1.00 12.81 H new ATOM 0 HB3 HIS A 66 -16.152 -10.400 15.678 1.00 12.81 H new ATOM 0 HD2 HIS A 66 -16.136 -13.374 17.703 1.00 13.93 H new ATOM 0 HE1 HIS A 66 -12.810 -11.312 19.283 1.00 14.23 H new ATOM 0 HE2 HIS A 66 -13.957 -13.600 19.166 1.00 14.47 H new ATOM 82 N HIS A 67 -17.109 -8.084 15.211 1.00 10.90 N ATOM 83 CA HIS A 67 -16.790 -6.985 14.257 1.00 10.21 C ATOM 84 C HIS A 67 -17.966 -6.781 13.297 1.00 9.43 C ATOM 85 O HIS A 67 -17.906 -7.150 12.141 1.00 9.32 O ATOM 86 CB HIS A 67 -15.539 -7.351 13.458 1.00 10.37 C ATOM 87 CG HIS A 67 -14.655 -6.141 13.327 1.00 10.53 C ATOM 88 ND1 HIS A 67 -13.908 -5.892 12.187 1.00 10.58 N ATOM 89 CD2 HIS A 67 -14.388 -5.102 14.183 1.00 10.88 C ATOM 90 CE1 HIS A 67 -13.234 -4.745 12.386 1.00 10.97 C ATOM 91 NE2 HIS A 67 -13.491 -4.221 13.587 1.00 11.15 N ATOM 0 H HIS A 67 -17.759 -8.788 14.862 1.00 10.90 H new ATOM 0 HA HIS A 67 -16.611 -6.064 14.812 1.00 10.21 H new ATOM 0 HB2 HIS A 67 -14.999 -8.157 13.956 1.00 10.37 H new ATOM 0 HB3 HIS A 67 -15.820 -7.718 12.471 1.00 10.37 H new ATOM 0 HD2 HIS A 67 -14.810 -4.986 15.170 1.00 10.88 H new ATOM 0 HE1 HIS A 67 -12.566 -4.302 11.662 1.00 10.97 H new ATOM 0 HE2 HIS A 67 -13.112 -3.361 13.982 1.00 11.15 H new ATOM 99 N PHE A 68 -19.033 -6.193 13.765 1.00 9.11 N ATOM 100 CA PHE A 68 -20.207 -5.965 12.877 1.00 8.55 C ATOM 101 C PHE A 68 -19.778 -5.114 11.680 1.00 7.46 C ATOM 102 O PHE A 68 -19.927 -3.908 11.680 1.00 7.39 O ATOM 103 CB PHE A 68 -21.300 -5.231 13.656 1.00 8.98 C ATOM 104 CG PHE A 68 -22.624 -5.925 13.444 1.00 9.76 C ATOM 105 CD1 PHE A 68 -22.826 -7.216 13.946 1.00 10.29 C ATOM 106 CD2 PHE A 68 -23.650 -5.276 12.748 1.00 10.19 C ATOM 107 CE1 PHE A 68 -24.054 -7.858 13.752 1.00 11.19 C ATOM 108 CE2 PHE A 68 -24.878 -5.918 12.552 1.00 11.10 C ATOM 109 CZ PHE A 68 -25.080 -7.209 13.054 1.00 11.57 C ATOM 0 H PHE A 68 -19.142 -5.861 14.723 1.00 9.11 H new ATOM 0 HA PHE A 68 -20.591 -6.923 12.527 1.00 8.55 H new ATOM 0 HB2 PHE A 68 -21.054 -5.212 14.718 1.00 8.98 H new ATOM 0 HB3 PHE A 68 -21.364 -4.195 13.325 1.00 8.98 H new ATOM 0 HD1 PHE A 68 -22.034 -7.717 14.483 1.00 10.29 H new ATOM 0 HD2 PHE A 68 -23.494 -4.279 12.362 1.00 10.19 H new ATOM 0 HE1 PHE A 68 -24.211 -8.854 14.140 1.00 11.19 H new ATOM 0 HE2 PHE A 68 -25.669 -5.418 12.014 1.00 11.10 H new ATOM 0 HZ PHE A 68 -26.028 -7.705 12.903 1.00 11.57 H new ATOM 119 N SER A 69 -19.244 -5.729 10.660 1.00 6.86 N ATOM 120 CA SER A 69 -18.803 -4.948 9.472 1.00 6.01 C ATOM 121 C SER A 69 -19.810 -5.125 8.334 1.00 5.07 C ATOM 122 O SER A 69 -20.981 -5.362 8.554 1.00 5.28 O ATOM 123 CB SER A 69 -17.430 -5.444 9.017 1.00 6.54 C ATOM 124 OG SER A 69 -17.554 -6.762 8.498 1.00 7.08 O ATOM 0 H SER A 69 -19.095 -6.736 10.599 1.00 6.86 H new ATOM 0 HA SER A 69 -18.741 -3.893 9.738 1.00 6.01 H new ATOM 0 HB2 SER A 69 -17.024 -4.778 8.256 1.00 6.54 H new ATOM 0 HB3 SER A 69 -16.732 -5.435 9.854 1.00 6.54 H new ATOM 0 HG SER A 69 -16.919 -6.885 7.762 1.00 7.08 H new ATOM 130 N GLU A 70 -19.358 -5.006 7.116 1.00 4.41 N ATOM 131 CA GLU A 70 -20.277 -5.160 5.955 1.00 3.84 C ATOM 132 C GLU A 70 -19.565 -4.699 4.680 1.00 2.84 C ATOM 133 O GLU A 70 -19.467 -5.447 3.727 1.00 3.00 O ATOM 134 CB GLU A 70 -21.536 -4.317 6.176 1.00 4.55 C ATOM 135 CG GLU A 70 -22.774 -5.206 6.051 1.00 5.41 C ATOM 136 CD GLU A 70 -22.870 -5.753 4.625 1.00 6.00 C ATOM 137 OE1 GLU A 70 -22.222 -6.749 4.349 1.00 6.49 O ATOM 138 OE2 GLU A 70 -23.589 -5.165 3.834 1.00 6.28 O ATOM 0 H GLU A 70 -18.387 -4.808 6.875 1.00 4.41 H new ATOM 0 HA GLU A 70 -20.562 -6.207 5.855 1.00 3.84 H new ATOM 0 HB2 GLU A 70 -21.507 -3.852 7.162 1.00 4.55 H new ATOM 0 HB3 GLU A 70 -21.579 -3.510 5.444 1.00 4.55 H new ATOM 0 HG2 GLU A 70 -22.717 -6.029 6.764 1.00 5.41 H new ATOM 0 HG3 GLU A 70 -23.670 -4.635 6.294 1.00 5.41 H new ATOM 145 N PRO A 71 -19.080 -3.481 4.700 1.00 2.18 N ATOM 146 CA PRO A 71 -18.364 -2.909 3.546 1.00 1.51 C ATOM 147 C PRO A 71 -17.156 -3.784 3.198 1.00 1.23 C ATOM 148 O PRO A 71 -16.045 -3.521 3.613 1.00 1.13 O ATOM 149 CB PRO A 71 -17.919 -1.515 4.010 1.00 1.87 C ATOM 150 CG PRO A 71 -18.512 -1.278 5.422 1.00 2.49 C ATOM 151 CD PRO A 71 -19.203 -2.578 5.861 1.00 2.65 C ATOM 0 HA PRO A 71 -18.983 -2.855 2.650 1.00 1.51 H new ATOM 0 HB2 PRO A 71 -16.831 -1.449 4.036 1.00 1.87 H new ATOM 0 HB3 PRO A 71 -18.268 -0.751 3.315 1.00 1.87 H new ATOM 0 HG2 PRO A 71 -17.726 -1.006 6.126 1.00 2.49 H new ATOM 0 HG3 PRO A 71 -19.224 -0.453 5.404 1.00 2.49 H new ATOM 0 HD2 PRO A 71 -18.725 -3.002 6.744 1.00 2.65 H new ATOM 0 HD3 PRO A 71 -20.248 -2.403 6.117 1.00 2.65 H new ATOM 159 N GLU A 72 -17.370 -4.828 2.445 1.00 1.29 N ATOM 160 CA GLU A 72 -16.243 -5.730 2.075 1.00 1.13 C ATOM 161 C GLU A 72 -15.270 -4.996 1.150 1.00 1.00 C ATOM 162 O GLU A 72 -14.177 -4.642 1.543 1.00 0.97 O ATOM 163 CB GLU A 72 -16.796 -6.964 1.359 1.00 1.32 C ATOM 164 CG GLU A 72 -17.589 -7.816 2.353 1.00 1.94 C ATOM 165 CD GLU A 72 -18.952 -8.166 1.750 1.00 2.47 C ATOM 166 OE1 GLU A 72 -19.142 -7.909 0.573 1.00 2.89 O ATOM 167 OE2 GLU A 72 -19.783 -8.685 2.477 1.00 3.01 O ATOM 0 H GLU A 72 -18.280 -5.096 2.069 1.00 1.29 H new ATOM 0 HA GLU A 72 -15.715 -6.035 2.978 1.00 1.13 H new ATOM 0 HB2 GLU A 72 -17.437 -6.661 0.531 1.00 1.32 H new ATOM 0 HB3 GLU A 72 -15.980 -7.547 0.933 1.00 1.32 H new ATOM 0 HG2 GLU A 72 -17.038 -8.727 2.588 1.00 1.94 H new ATOM 0 HG3 GLU A 72 -17.722 -7.273 3.289 1.00 1.94 H new ATOM 174 N ILE A 73 -15.653 -4.765 -0.077 1.00 0.99 N ATOM 175 CA ILE A 73 -14.747 -4.060 -1.018 1.00 0.91 C ATOM 176 C ILE A 73 -14.264 -2.753 -0.378 1.00 0.80 C ATOM 177 O ILE A 73 -13.124 -2.365 -0.532 1.00 0.74 O ATOM 178 CB ILE A 73 -15.508 -3.777 -2.320 1.00 1.03 C ATOM 179 CG1 ILE A 73 -14.842 -2.617 -3.072 1.00 1.05 C ATOM 180 CG2 ILE A 73 -16.968 -3.435 -2.002 1.00 1.28 C ATOM 181 CD1 ILE A 73 -15.339 -1.273 -2.528 1.00 1.48 C ATOM 0 H ILE A 73 -16.556 -5.036 -0.465 1.00 0.99 H new ATOM 0 HA ILE A 73 -13.877 -4.678 -1.241 1.00 0.91 H new ATOM 0 HB ILE A 73 -15.483 -4.665 -2.952 1.00 1.03 H new ATOM 0 HG12 ILE A 73 -13.759 -2.681 -2.967 1.00 1.05 H new ATOM 0 HG13 ILE A 73 -15.064 -2.690 -4.137 1.00 1.05 H new ATOM 0 HG21 ILE A 73 -17.505 -3.235 -2.929 1.00 1.28 H new ATOM 0 HG22 ILE A 73 -17.434 -4.275 -1.487 1.00 1.28 H new ATOM 0 HG23 ILE A 73 -17.004 -2.552 -1.364 1.00 1.28 H new ATOM 0 HD11 ILE A 73 -14.857 -0.460 -3.071 1.00 1.48 H new ATOM 0 HD12 ILE A 73 -16.419 -1.206 -2.656 1.00 1.48 H new ATOM 0 HD13 ILE A 73 -15.094 -1.196 -1.469 1.00 1.48 H new ATOM 193 N THR A 74 -15.116 -2.077 0.342 1.00 0.81 N ATOM 194 CA THR A 74 -14.690 -0.804 0.990 1.00 0.76 C ATOM 195 C THR A 74 -13.550 -1.100 1.966 1.00 0.68 C ATOM 196 O THR A 74 -12.537 -0.429 1.977 1.00 0.62 O ATOM 197 CB THR A 74 -15.871 -0.193 1.745 1.00 0.86 C ATOM 198 OG1 THR A 74 -16.812 0.322 0.813 1.00 1.35 O ATOM 199 CG2 THR A 74 -15.373 0.937 2.648 1.00 1.19 C ATOM 0 H THR A 74 -16.085 -2.349 0.509 1.00 0.81 H new ATOM 0 HA THR A 74 -14.350 -0.099 0.232 1.00 0.76 H new ATOM 0 HB THR A 74 -16.347 -0.960 2.356 1.00 0.86 H new ATOM 0 HG1 THR A 74 -17.570 0.712 1.296 1.00 1.35 H new ATOM 0 HG21 THR A 74 -16.216 1.372 3.185 1.00 1.19 H new ATOM 0 HG22 THR A 74 -14.652 0.540 3.363 1.00 1.19 H new ATOM 0 HG23 THR A 74 -14.896 1.705 2.040 1.00 1.19 H new ATOM 207 N LEU A 75 -13.705 -2.111 2.778 1.00 0.72 N ATOM 208 CA LEU A 75 -12.627 -2.462 3.746 1.00 0.69 C ATOM 209 C LEU A 75 -11.412 -2.977 2.979 1.00 0.58 C ATOM 210 O LEU A 75 -10.294 -2.580 3.236 1.00 0.50 O ATOM 211 CB LEU A 75 -13.119 -3.544 4.717 1.00 0.82 C ATOM 212 CG LEU A 75 -12.511 -3.305 6.102 1.00 0.88 C ATOM 213 CD1 LEU A 75 -12.721 -4.544 6.975 1.00 0.87 C ATOM 214 CD2 LEU A 75 -11.012 -3.030 5.965 1.00 1.02 C ATOM 0 H LEU A 75 -14.531 -2.708 2.813 1.00 0.72 H new ATOM 0 HA LEU A 75 -12.355 -1.574 4.317 1.00 0.69 H new ATOM 0 HB2 LEU A 75 -14.207 -3.525 4.778 1.00 0.82 H new ATOM 0 HB3 LEU A 75 -12.838 -4.531 4.350 1.00 0.82 H new ATOM 0 HG LEU A 75 -12.998 -2.446 6.565 1.00 0.88 H new ATOM 0 HD11 LEU A 75 -12.288 -4.372 7.960 1.00 0.87 H new ATOM 0 HD12 LEU A 75 -13.788 -4.741 7.077 1.00 0.87 H new ATOM 0 HD13 LEU A 75 -12.237 -5.403 6.510 1.00 0.87 H new ATOM 0 HD21 LEU A 75 -10.582 -2.860 6.952 1.00 1.02 H new ATOM 0 HD22 LEU A 75 -10.526 -3.887 5.500 1.00 1.02 H new ATOM 0 HD23 LEU A 75 -10.859 -2.146 5.346 1.00 1.02 H new ATOM 226 N ILE A 76 -11.612 -3.861 2.038 1.00 0.62 N ATOM 227 CA ILE A 76 -10.449 -4.384 1.273 1.00 0.57 C ATOM 228 C ILE A 76 -9.711 -3.206 0.639 1.00 0.45 C ATOM 229 O ILE A 76 -8.506 -3.089 0.742 1.00 0.38 O ATOM 230 CB ILE A 76 -10.937 -5.326 0.170 1.00 0.69 C ATOM 231 CG1 ILE A 76 -11.803 -6.431 0.781 1.00 0.91 C ATOM 232 CG2 ILE A 76 -9.731 -5.955 -0.528 1.00 0.76 C ATOM 233 CD1 ILE A 76 -12.592 -7.131 -0.327 1.00 1.10 C ATOM 0 H ILE A 76 -12.521 -4.239 1.770 1.00 0.62 H new ATOM 0 HA ILE A 76 -9.784 -4.930 1.942 1.00 0.57 H new ATOM 0 HB ILE A 76 -11.527 -4.762 -0.552 1.00 0.69 H new ATOM 0 HG12 ILE A 76 -11.176 -7.151 1.306 1.00 0.91 H new ATOM 0 HG13 ILE A 76 -12.486 -6.007 1.517 1.00 0.91 H new ATOM 0 HG21 ILE A 76 -10.075 -6.627 -1.314 1.00 0.76 H new ATOM 0 HG22 ILE A 76 -9.114 -5.170 -0.965 1.00 0.76 H new ATOM 0 HG23 ILE A 76 -9.143 -6.517 0.198 1.00 0.76 H new ATOM 0 HD11 ILE A 76 -13.209 -7.918 0.107 1.00 1.10 H new ATOM 0 HD12 ILE A 76 -13.231 -6.406 -0.832 1.00 1.10 H new ATOM 0 HD13 ILE A 76 -11.899 -7.568 -1.046 1.00 1.10 H new ATOM 245 N ILE A 77 -10.426 -2.316 0.006 1.00 0.44 N ATOM 246 CA ILE A 77 -9.757 -1.135 -0.603 1.00 0.36 C ATOM 247 C ILE A 77 -8.998 -0.387 0.493 1.00 0.28 C ATOM 248 O ILE A 77 -7.846 -0.031 0.338 1.00 0.25 O ATOM 249 CB ILE A 77 -10.808 -0.211 -1.221 1.00 0.39 C ATOM 250 CG1 ILE A 77 -11.411 -0.881 -2.457 1.00 1.21 C ATOM 251 CG2 ILE A 77 -10.156 1.111 -1.627 1.00 1.18 C ATOM 252 CD1 ILE A 77 -12.406 0.073 -3.118 1.00 1.58 C ATOM 0 H ILE A 77 -11.438 -2.356 -0.115 1.00 0.44 H new ATOM 0 HA ILE A 77 -9.067 -1.458 -1.382 1.00 0.36 H new ATOM 0 HB ILE A 77 -11.593 -0.017 -0.490 1.00 0.39 H new ATOM 0 HG12 ILE A 77 -10.623 -1.147 -3.161 1.00 1.21 H new ATOM 0 HG13 ILE A 77 -11.911 -1.807 -2.174 1.00 1.21 H new ATOM 0 HG21 ILE A 77 -10.907 1.767 -2.067 1.00 1.18 H new ATOM 0 HG22 ILE A 77 -9.726 1.590 -0.747 1.00 1.18 H new ATOM 0 HG23 ILE A 77 -9.369 0.920 -2.357 1.00 1.18 H new ATOM 0 HD11 ILE A 77 -12.836 -0.403 -3.999 1.00 1.58 H new ATOM 0 HD12 ILE A 77 -13.200 0.316 -2.412 1.00 1.58 H new ATOM 0 HD13 ILE A 77 -11.892 0.987 -3.415 1.00 1.58 H new ATOM 264 N PHE A 78 -9.644 -0.156 1.604 1.00 0.31 N ATOM 265 CA PHE A 78 -8.977 0.562 2.728 1.00 0.32 C ATOM 266 C PHE A 78 -7.711 -0.193 3.135 1.00 0.30 C ATOM 267 O PHE A 78 -6.661 0.390 3.311 1.00 0.30 O ATOM 268 CB PHE A 78 -9.924 0.642 3.930 1.00 0.41 C ATOM 269 CG PHE A 78 -10.820 1.849 3.786 1.00 0.80 C ATOM 270 CD1 PHE A 78 -10.260 3.130 3.709 1.00 1.52 C ATOM 271 CD2 PHE A 78 -12.209 1.688 3.730 1.00 1.66 C ATOM 272 CE1 PHE A 78 -11.091 4.250 3.578 1.00 1.97 C ATOM 273 CE2 PHE A 78 -13.039 2.807 3.599 1.00 2.09 C ATOM 274 CZ PHE A 78 -12.480 4.088 3.522 1.00 1.95 C ATOM 0 H PHE A 78 -10.609 -0.435 1.782 1.00 0.31 H new ATOM 0 HA PHE A 78 -8.718 1.570 2.404 1.00 0.32 H new ATOM 0 HB2 PHE A 78 -10.525 -0.265 3.994 1.00 0.41 H new ATOM 0 HB3 PHE A 78 -9.350 0.710 4.854 1.00 0.41 H new ATOM 0 HD1 PHE A 78 -9.188 3.254 3.751 1.00 1.52 H new ATOM 0 HD2 PHE A 78 -12.641 0.700 3.788 1.00 1.66 H new ATOM 0 HE1 PHE A 78 -10.660 5.239 3.520 1.00 1.97 H new ATOM 0 HE2 PHE A 78 -14.111 2.682 3.557 1.00 2.09 H new ATOM 0 HZ PHE A 78 -13.121 4.951 3.419 1.00 1.95 H new ATOM 284 N GLY A 79 -7.804 -1.485 3.295 1.00 0.31 N ATOM 285 CA GLY A 79 -6.604 -2.268 3.699 1.00 0.32 C ATOM 286 C GLY A 79 -5.479 -2.043 2.690 1.00 0.26 C ATOM 287 O GLY A 79 -4.351 -1.783 3.057 1.00 0.26 O ATOM 0 H GLY A 79 -8.656 -2.030 3.164 1.00 0.31 H new ATOM 0 HA2 GLY A 79 -6.279 -1.966 4.694 1.00 0.32 H new ATOM 0 HA3 GLY A 79 -6.851 -3.328 3.753 1.00 0.32 H new ATOM 291 N VAL A 80 -5.768 -2.132 1.419 1.00 0.23 N ATOM 292 CA VAL A 80 -4.697 -1.913 0.411 1.00 0.22 C ATOM 293 C VAL A 80 -4.091 -0.525 0.629 1.00 0.21 C ATOM 294 O VAL A 80 -2.886 -0.362 0.701 1.00 0.22 O ATOM 295 CB VAL A 80 -5.297 -2.008 -0.993 1.00 0.24 C ATOM 296 CG1 VAL A 80 -4.193 -1.821 -2.035 1.00 0.28 C ATOM 297 CG2 VAL A 80 -5.943 -3.387 -1.177 1.00 0.28 C ATOM 0 H VAL A 80 -6.691 -2.345 1.040 1.00 0.23 H new ATOM 0 HA VAL A 80 -3.920 -2.670 0.517 1.00 0.22 H new ATOM 0 HB VAL A 80 -6.051 -1.231 -1.120 1.00 0.24 H new ATOM 0 HG11 VAL A 80 -4.621 -1.889 -3.035 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -3.731 -0.843 -1.904 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -3.439 -2.598 -1.910 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -6.371 -3.458 -2.177 1.00 0.28 H new ATOM 0 HG22 VAL A 80 -5.188 -4.162 -1.050 1.00 0.28 H new ATOM 0 HG23 VAL A 80 -6.730 -3.522 -0.435 1.00 0.28 H new ATOM 307 N MET A 81 -4.919 0.476 0.770 1.00 0.22 N ATOM 308 CA MET A 81 -4.395 1.847 1.022 1.00 0.25 C ATOM 309 C MET A 81 -3.542 1.821 2.290 1.00 0.27 C ATOM 310 O MET A 81 -2.442 2.335 2.333 1.00 0.28 O ATOM 311 CB MET A 81 -5.564 2.817 1.208 1.00 0.29 C ATOM 312 CG MET A 81 -6.211 3.104 -0.148 1.00 0.36 C ATOM 313 SD MET A 81 -6.632 4.860 -0.256 1.00 1.07 S ATOM 314 CE MET A 81 -8.170 4.784 0.695 1.00 1.70 C ATOM 0 H MET A 81 -5.935 0.402 0.721 1.00 0.22 H new ATOM 0 HA MET A 81 -3.792 2.176 0.176 1.00 0.25 H new ATOM 0 HB2 MET A 81 -6.299 2.390 1.890 1.00 0.29 H new ATOM 0 HB3 MET A 81 -5.212 3.745 1.658 1.00 0.29 H new ATOM 0 HG2 MET A 81 -5.528 2.833 -0.953 1.00 0.36 H new ATOM 0 HG3 MET A 81 -7.107 2.496 -0.271 1.00 0.36 H new ATOM 0 HE1 MET A 81 -8.610 5.780 0.756 1.00 1.70 H new ATOM 0 HE2 MET A 81 -8.869 4.108 0.203 1.00 1.70 H new ATOM 0 HE3 MET A 81 -7.959 4.419 1.700 1.00 1.70 H new ATOM 324 N ALA A 82 -4.057 1.215 3.327 1.00 0.28 N ATOM 325 CA ALA A 82 -3.307 1.132 4.609 1.00 0.32 C ATOM 326 C ALA A 82 -1.952 0.457 4.373 1.00 0.30 C ATOM 327 O ALA A 82 -0.935 0.921 4.849 1.00 0.30 O ATOM 328 CB ALA A 82 -4.125 0.351 5.649 1.00 0.37 C ATOM 0 H ALA A 82 -4.975 0.770 3.338 1.00 0.28 H new ATOM 0 HA ALA A 82 -3.136 2.138 4.991 1.00 0.32 H new ATOM 0 HB1 ALA A 82 -3.567 0.296 6.584 1.00 0.37 H new ATOM 0 HB2 ALA A 82 -5.074 0.859 5.822 1.00 0.37 H new ATOM 0 HB3 ALA A 82 -4.315 -0.657 5.280 1.00 0.37 H new ATOM 334 N GLY A 83 -1.917 -0.639 3.654 1.00 0.28 N ATOM 335 CA GLY A 83 -0.614 -1.318 3.419 1.00 0.27 C ATOM 336 C GLY A 83 0.358 -0.333 2.774 1.00 0.23 C ATOM 337 O GLY A 83 1.490 -0.203 3.197 1.00 0.23 O ATOM 0 H GLY A 83 -2.728 -1.085 3.226 1.00 0.28 H new ATOM 0 HA2 GLY A 83 -0.207 -1.685 4.361 1.00 0.27 H new ATOM 0 HA3 GLY A 83 -0.754 -2.185 2.773 1.00 0.27 H new ATOM 341 N VAL A 84 -0.068 0.375 1.762 1.00 0.21 N ATOM 342 CA VAL A 84 0.856 1.354 1.121 1.00 0.19 C ATOM 343 C VAL A 84 1.345 2.348 2.181 1.00 0.20 C ATOM 344 O VAL A 84 2.525 2.618 2.295 1.00 0.19 O ATOM 345 CB VAL A 84 0.117 2.106 0.014 1.00 0.22 C ATOM 346 CG1 VAL A 84 1.051 3.144 -0.612 1.00 0.28 C ATOM 347 CG2 VAL A 84 -0.333 1.114 -1.062 1.00 0.27 C ATOM 0 H VAL A 84 -1.002 0.320 1.356 1.00 0.21 H new ATOM 0 HA VAL A 84 1.708 0.829 0.690 1.00 0.19 H new ATOM 0 HB VAL A 84 -0.754 2.608 0.436 1.00 0.22 H new ATOM 0 HG11 VAL A 84 0.523 3.679 -1.401 1.00 0.28 H new ATOM 0 HG12 VAL A 84 1.374 3.851 0.152 1.00 0.28 H new ATOM 0 HG13 VAL A 84 1.922 2.642 -1.034 1.00 0.28 H new ATOM 0 HG21 VAL A 84 -0.860 1.649 -1.852 1.00 0.27 H new ATOM 0 HG22 VAL A 84 0.539 0.613 -1.482 1.00 0.27 H new ATOM 0 HG23 VAL A 84 -0.999 0.373 -0.619 1.00 0.27 H new ATOM 357 N ILE A 85 0.448 2.883 2.967 1.00 0.23 N ATOM 358 CA ILE A 85 0.864 3.845 4.029 1.00 0.27 C ATOM 359 C ILE A 85 1.885 3.176 4.952 1.00 0.27 C ATOM 360 O ILE A 85 2.912 3.740 5.272 1.00 0.28 O ATOM 361 CB ILE A 85 -0.361 4.269 4.841 1.00 0.33 C ATOM 362 CG1 ILE A 85 -1.232 5.204 3.999 1.00 0.67 C ATOM 363 CG2 ILE A 85 0.091 5.000 6.107 1.00 0.75 C ATOM 364 CD1 ILE A 85 -2.528 5.510 4.750 1.00 1.20 C ATOM 0 H ILE A 85 -0.553 2.696 2.919 1.00 0.23 H new ATOM 0 HA ILE A 85 1.315 4.724 3.568 1.00 0.27 H new ATOM 0 HB ILE A 85 -0.935 3.385 5.117 1.00 0.33 H new ATOM 0 HG12 ILE A 85 -0.694 6.129 3.789 1.00 0.67 H new ATOM 0 HG13 ILE A 85 -1.457 4.741 3.038 1.00 0.67 H new ATOM 0 HG21 ILE A 85 -0.783 5.302 6.685 1.00 0.75 H new ATOM 0 HG22 ILE A 85 0.712 4.336 6.708 1.00 0.75 H new ATOM 0 HG23 ILE A 85 0.666 5.884 5.831 1.00 0.75 H new ATOM 0 HD11 ILE A 85 -3.148 6.176 4.150 1.00 1.20 H new ATOM 0 HD12 ILE A 85 -3.068 4.582 4.937 1.00 1.20 H new ATOM 0 HD13 ILE A 85 -2.293 5.991 5.700 1.00 1.20 H new ATOM 376 N GLY A 86 1.609 1.973 5.382 1.00 0.29 N ATOM 377 CA GLY A 86 2.556 1.261 6.285 1.00 0.33 C ATOM 378 C GLY A 86 3.924 1.166 5.610 1.00 0.30 C ATOM 379 O GLY A 86 4.943 1.441 6.213 1.00 0.33 O ATOM 0 H GLY A 86 0.765 1.452 5.145 1.00 0.29 H new ATOM 0 HA2 GLY A 86 2.642 1.792 7.233 1.00 0.33 H new ATOM 0 HA3 GLY A 86 2.180 0.263 6.512 1.00 0.33 H new ATOM 383 N THR A 87 3.958 0.779 4.366 1.00 0.25 N ATOM 384 CA THR A 87 5.264 0.669 3.663 1.00 0.25 C ATOM 385 C THR A 87 5.978 2.020 3.724 1.00 0.26 C ATOM 386 O THR A 87 7.147 2.098 4.049 1.00 0.32 O ATOM 387 CB THR A 87 5.027 0.283 2.201 1.00 0.24 C ATOM 388 OG1 THR A 87 4.371 -0.977 2.147 1.00 0.34 O ATOM 389 CG2 THR A 87 6.368 0.196 1.471 1.00 0.31 C ATOM 0 H THR A 87 3.140 0.535 3.808 1.00 0.25 H new ATOM 0 HA THR A 87 5.877 -0.094 4.142 1.00 0.25 H new ATOM 0 HB THR A 87 4.404 1.038 1.721 1.00 0.24 H new ATOM 0 HG1 THR A 87 4.504 -1.451 2.994 1.00 0.34 H new ATOM 0 HG21 THR A 87 6.198 -0.079 0.430 1.00 0.31 H new ATOM 0 HG22 THR A 87 6.869 1.163 1.514 1.00 0.31 H new ATOM 0 HG23 THR A 87 6.994 -0.558 1.948 1.00 0.31 H new ATOM 397 N ILE A 88 5.286 3.086 3.428 1.00 0.24 N ATOM 398 CA ILE A 88 5.938 4.424 3.486 1.00 0.33 C ATOM 399 C ILE A 88 6.497 4.640 4.893 1.00 0.39 C ATOM 400 O ILE A 88 7.632 5.035 5.067 1.00 0.47 O ATOM 401 CB ILE A 88 4.912 5.511 3.168 1.00 0.37 C ATOM 402 CG1 ILE A 88 4.454 5.369 1.714 1.00 0.39 C ATOM 403 CG2 ILE A 88 5.547 6.888 3.369 1.00 0.47 C ATOM 404 CD1 ILE A 88 3.288 6.323 1.450 1.00 0.49 C ATOM 0 H ILE A 88 4.304 3.089 3.150 1.00 0.24 H new ATOM 0 HA ILE A 88 6.745 4.474 2.755 1.00 0.33 H new ATOM 0 HB ILE A 88 4.054 5.406 3.833 1.00 0.37 H new ATOM 0 HG12 ILE A 88 5.280 5.592 1.038 1.00 0.39 H new ATOM 0 HG13 ILE A 88 4.149 4.341 1.517 1.00 0.39 H new ATOM 0 HG21 ILE A 88 4.815 7.663 3.142 1.00 0.47 H new ATOM 0 HG22 ILE A 88 5.875 6.990 4.404 1.00 0.47 H new ATOM 0 HG23 ILE A 88 6.405 6.994 2.705 1.00 0.47 H new ATOM 0 HD11 ILE A 88 2.962 6.222 0.415 1.00 0.49 H new ATOM 0 HD12 ILE A 88 2.461 6.079 2.116 1.00 0.49 H new ATOM 0 HD13 ILE A 88 3.609 7.349 1.630 1.00 0.49 H new ATOM 416 N LEU A 89 5.711 4.366 5.901 1.00 0.39 N ATOM 417 CA LEU A 89 6.205 4.537 7.295 1.00 0.49 C ATOM 418 C LEU A 89 7.464 3.680 7.473 1.00 0.53 C ATOM 419 O LEU A 89 8.469 4.129 7.989 1.00 0.62 O ATOM 420 CB LEU A 89 5.086 4.135 8.286 1.00 0.53 C ATOM 421 CG LEU A 89 5.479 2.917 9.134 1.00 0.59 C ATOM 422 CD1 LEU A 89 6.593 3.305 10.108 1.00 0.68 C ATOM 423 CD2 LEU A 89 4.260 2.437 9.926 1.00 0.65 C ATOM 0 H LEU A 89 4.751 4.032 5.818 1.00 0.39 H new ATOM 0 HA LEU A 89 6.465 5.576 7.495 1.00 0.49 H new ATOM 0 HB2 LEU A 89 4.863 4.977 8.942 1.00 0.53 H new ATOM 0 HB3 LEU A 89 4.174 3.912 7.732 1.00 0.53 H new ATOM 0 HG LEU A 89 5.831 2.120 8.480 1.00 0.59 H new ATOM 0 HD11 LEU A 89 6.870 2.438 10.708 1.00 0.68 H new ATOM 0 HD12 LEU A 89 7.462 3.651 9.548 1.00 0.68 H new ATOM 0 HD13 LEU A 89 6.242 4.103 10.763 1.00 0.68 H new ATOM 0 HD21 LEU A 89 4.536 1.572 10.529 1.00 0.65 H new ATOM 0 HD22 LEU A 89 3.911 3.238 10.578 1.00 0.65 H new ATOM 0 HD23 LEU A 89 3.464 2.159 9.235 1.00 0.65 H new ATOM 435 N LEU A 90 7.413 2.450 7.038 1.00 0.49 N ATOM 436 CA LEU A 90 8.602 1.560 7.167 1.00 0.57 C ATOM 437 C LEU A 90 9.794 2.212 6.468 1.00 0.60 C ATOM 438 O LEU A 90 10.883 2.274 7.002 1.00 0.71 O ATOM 439 CB LEU A 90 8.307 0.206 6.512 1.00 0.56 C ATOM 440 CG LEU A 90 9.478 -0.747 6.759 1.00 1.24 C ATOM 441 CD1 LEU A 90 9.553 -1.090 8.248 1.00 1.76 C ATOM 442 CD2 LEU A 90 9.273 -2.030 5.951 1.00 1.92 C ATOM 0 H LEU A 90 6.598 2.023 6.598 1.00 0.49 H new ATOM 0 HA LEU A 90 8.830 1.408 8.222 1.00 0.57 H new ATOM 0 HB2 LEU A 90 7.389 -0.215 6.921 1.00 0.56 H new ATOM 0 HB3 LEU A 90 8.149 0.335 5.441 1.00 0.56 H new ATOM 0 HG LEU A 90 10.406 -0.267 6.449 1.00 1.24 H new ATOM 0 HD11 LEU A 90 10.387 -1.769 8.423 1.00 1.76 H new ATOM 0 HD12 LEU A 90 9.701 -0.177 8.825 1.00 1.76 H new ATOM 0 HD13 LEU A 90 8.624 -1.569 8.558 1.00 1.76 H new ATOM 0 HD21 LEU A 90 10.108 -2.708 6.127 1.00 1.92 H new ATOM 0 HD22 LEU A 90 8.344 -2.510 6.259 1.00 1.92 H new ATOM 0 HD23 LEU A 90 9.221 -1.787 4.890 1.00 1.92 H new ATOM 454 N ILE A 91 9.598 2.701 5.273 1.00 0.55 N ATOM 455 CA ILE A 91 10.720 3.349 4.541 1.00 0.65 C ATOM 456 C ILE A 91 11.283 4.489 5.386 1.00 0.75 C ATOM 457 O ILE A 91 12.479 4.610 5.554 1.00 0.87 O ATOM 458 CB ILE A 91 10.210 3.899 3.207 1.00 0.63 C ATOM 459 CG1 ILE A 91 9.727 2.741 2.332 1.00 0.58 C ATOM 460 CG2 ILE A 91 11.343 4.640 2.494 1.00 0.75 C ATOM 461 CD1 ILE A 91 8.906 3.292 1.165 1.00 0.66 C ATOM 0 H ILE A 91 8.709 2.679 4.774 1.00 0.55 H new ATOM 0 HA ILE A 91 11.505 2.617 4.351 1.00 0.65 H new ATOM 0 HB ILE A 91 9.385 4.587 3.388 1.00 0.63 H new ATOM 0 HG12 ILE A 91 10.579 2.175 1.956 1.00 0.58 H new ATOM 0 HG13 ILE A 91 9.123 2.052 2.923 1.00 0.58 H new ATOM 0 HG21 ILE A 91 10.980 5.032 1.544 1.00 0.75 H new ATOM 0 HG22 ILE A 91 11.688 5.464 3.118 1.00 0.75 H new ATOM 0 HG23 ILE A 91 12.169 3.953 2.311 1.00 0.75 H new ATOM 0 HD11 ILE A 91 8.562 2.467 0.541 1.00 0.66 H new ATOM 0 HD12 ILE A 91 8.046 3.839 1.551 1.00 0.66 H new ATOM 0 HD13 ILE A 91 9.525 3.963 0.570 1.00 0.66 H new ATOM 473 N SER A 92 10.440 5.324 5.928 1.00 0.73 N ATOM 474 CA SER A 92 10.963 6.435 6.765 1.00 0.87 C ATOM 475 C SER A 92 11.803 5.831 7.889 1.00 0.94 C ATOM 476 O SER A 92 12.917 6.249 8.140 1.00 1.07 O ATOM 477 CB SER A 92 9.796 7.221 7.363 1.00 0.86 C ATOM 478 OG SER A 92 9.558 8.381 6.576 1.00 1.29 O ATOM 0 H SER A 92 9.426 5.285 5.829 1.00 0.73 H new ATOM 0 HA SER A 92 11.569 7.109 6.160 1.00 0.87 H new ATOM 0 HB2 SER A 92 8.902 6.599 7.394 1.00 0.86 H new ATOM 0 HB3 SER A 92 10.023 7.505 8.391 1.00 0.86 H new ATOM 0 HG SER A 92 8.809 8.886 6.956 1.00 1.29 H new ATOM 484 N TYR A 93 11.288 4.831 8.552 1.00 0.89 N ATOM 485 CA TYR A 93 12.071 4.182 9.639 1.00 1.00 C ATOM 486 C TYR A 93 13.397 3.676 9.063 1.00 1.05 C ATOM 487 O TYR A 93 14.453 3.896 9.622 1.00 1.18 O ATOM 488 CB TYR A 93 11.277 3.006 10.211 1.00 0.96 C ATOM 489 CG TYR A 93 11.103 3.192 11.698 1.00 1.27 C ATOM 490 CD1 TYR A 93 12.186 3.598 12.485 1.00 1.62 C ATOM 491 CD2 TYR A 93 9.855 2.962 12.291 1.00 2.13 C ATOM 492 CE1 TYR A 93 12.026 3.771 13.865 1.00 1.95 C ATOM 493 CE2 TYR A 93 9.693 3.135 13.671 1.00 2.53 C ATOM 494 CZ TYR A 93 10.778 3.541 14.457 1.00 2.15 C ATOM 495 OH TYR A 93 10.619 3.712 15.817 1.00 2.64 O ATOM 0 H TYR A 93 10.362 4.437 8.388 1.00 0.89 H new ATOM 0 HA TYR A 93 12.266 4.902 10.434 1.00 1.00 H new ATOM 0 HB2 TYR A 93 10.303 2.940 9.726 1.00 0.96 H new ATOM 0 HB3 TYR A 93 11.797 2.070 10.009 1.00 0.96 H new ATOM 0 HD1 TYR A 93 13.147 3.778 12.027 1.00 1.62 H new ATOM 0 HD2 TYR A 93 9.018 2.651 11.684 1.00 2.13 H new ATOM 0 HE1 TYR A 93 12.864 4.081 14.472 1.00 1.95 H new ATOM 0 HE2 TYR A 93 8.731 2.955 14.129 1.00 2.53 H new ATOM 0 HH TYR A 93 9.692 3.513 16.066 1.00 2.64 H new ATOM 505 N GLY A 94 13.346 2.999 7.943 1.00 0.97 N ATOM 506 CA GLY A 94 14.597 2.481 7.323 1.00 1.05 C ATOM 507 C GLY A 94 15.555 3.644 7.067 1.00 1.16 C ATOM 508 O GLY A 94 16.724 3.577 7.386 1.00 1.29 O ATOM 0 H GLY A 94 12.489 2.784 7.433 1.00 0.97 H new ATOM 0 HA2 GLY A 94 15.065 1.748 7.980 1.00 1.05 H new ATOM 0 HA3 GLY A 94 14.368 1.971 6.387 1.00 1.05 H new ATOM 512 N ILE A 95 15.068 4.713 6.495 1.00 1.14 N ATOM 513 CA ILE A 95 15.964 5.875 6.228 1.00 1.29 C ATOM 514 C ILE A 95 16.591 6.324 7.552 1.00 1.41 C ATOM 515 O ILE A 95 17.785 6.528 7.646 1.00 1.55 O ATOM 516 CB ILE A 95 15.154 7.029 5.612 1.00 1.28 C ATOM 517 CG1 ILE A 95 14.989 6.792 4.108 1.00 1.74 C ATOM 518 CG2 ILE A 95 15.884 8.359 5.827 1.00 1.77 C ATOM 519 CD1 ILE A 95 13.502 6.797 3.749 1.00 2.19 C ATOM 0 H ILE A 95 14.098 4.832 6.204 1.00 1.14 H new ATOM 0 HA ILE A 95 16.747 5.587 5.527 1.00 1.29 H new ATOM 0 HB ILE A 95 14.177 7.069 6.094 1.00 1.28 H new ATOM 0 HG12 ILE A 95 15.512 7.567 3.548 1.00 1.74 H new ATOM 0 HG13 ILE A 95 15.438 5.839 3.828 1.00 1.74 H new ATOM 0 HG21 ILE A 95 15.302 9.169 5.387 1.00 1.77 H new ATOM 0 HG22 ILE A 95 16.006 8.539 6.895 1.00 1.77 H new ATOM 0 HG23 ILE A 95 16.864 8.317 5.352 1.00 1.77 H new ATOM 0 HD11 ILE A 95 13.386 6.628 2.678 1.00 2.19 H new ATOM 0 HD12 ILE A 95 12.992 6.006 4.299 1.00 2.19 H new ATOM 0 HD13 ILE A 95 13.067 7.761 4.014 1.00 2.19 H new ATOM 531 N ARG A 96 15.797 6.465 8.578 1.00 1.37 N ATOM 532 CA ARG A 96 16.354 6.884 9.894 1.00 1.51 C ATOM 533 C ARG A 96 17.431 5.884 10.315 1.00 1.58 C ATOM 534 O ARG A 96 18.513 6.252 10.729 1.00 1.73 O ATOM 535 CB ARG A 96 15.237 6.909 10.942 1.00 1.46 C ATOM 536 CG ARG A 96 14.314 8.100 10.680 1.00 1.73 C ATOM 537 CD ARG A 96 12.876 7.724 11.046 1.00 2.03 C ATOM 538 NE ARG A 96 11.925 8.637 10.347 1.00 2.00 N ATOM 539 CZ ARG A 96 12.221 9.899 10.188 1.00 2.45 C ATOM 540 NH1 ARG A 96 12.673 10.596 11.195 1.00 2.76 N ATOM 541 NH2 ARG A 96 12.063 10.464 9.022 1.00 3.14 N ATOM 0 H ARG A 96 14.789 6.308 8.562 1.00 1.37 H new ATOM 0 HA ARG A 96 16.787 7.881 9.812 1.00 1.51 H new ATOM 0 HB2 ARG A 96 14.668 5.980 10.904 1.00 1.46 H new ATOM 0 HB3 ARG A 96 15.664 6.980 11.942 1.00 1.46 H new ATOM 0 HG2 ARG A 96 14.637 8.960 11.267 1.00 1.73 H new ATOM 0 HG3 ARG A 96 14.369 8.392 9.631 1.00 1.73 H new ATOM 0 HD2 ARG A 96 12.677 6.690 10.764 1.00 2.03 H new ATOM 0 HD3 ARG A 96 12.735 7.793 12.125 1.00 2.03 H new ATOM 0 HE ARG A 96 11.040 8.274 9.992 1.00 2.00 H new ATOM 0 HH11 ARG A 96 12.795 10.155 12.107 1.00 2.76 H new ATOM 0 HH12 ARG A 96 12.904 11.582 11.070 1.00 2.76 H new ATOM 0 HH21 ARG A 96 11.708 9.920 8.235 1.00 3.14 H new ATOM 0 HH22 ARG A 96 12.294 11.450 8.897 1.00 3.14 H new ATOM 555 N ARG A 97 17.138 4.617 10.211 1.00 1.50 N ATOM 556 CA ARG A 97 18.140 3.584 10.600 1.00 1.59 C ATOM 557 C ARG A 97 19.426 3.779 9.793 1.00 1.69 C ATOM 558 O ARG A 97 20.516 3.765 10.327 1.00 1.84 O ATOM 559 CB ARG A 97 17.578 2.183 10.336 1.00 1.50 C ATOM 560 CG ARG A 97 18.031 1.234 11.447 1.00 1.77 C ATOM 561 CD ARG A 97 17.644 -0.201 11.079 1.00 2.23 C ATOM 562 NE ARG A 97 16.701 -0.751 12.098 1.00 2.70 N ATOM 563 CZ ARG A 97 16.858 -0.467 13.362 1.00 3.07 C ATOM 564 NH1 ARG A 97 18.058 -0.351 13.861 1.00 3.56 N ATOM 565 NH2 ARG A 97 15.814 -0.300 14.127 1.00 3.58 N ATOM 0 H ARG A 97 16.247 4.252 9.873 1.00 1.50 H new ATOM 0 HA ARG A 97 18.360 3.688 11.663 1.00 1.59 H new ATOM 0 HB2 ARG A 97 16.489 2.218 10.295 1.00 1.50 H new ATOM 0 HB3 ARG A 97 17.922 1.818 9.368 1.00 1.50 H new ATOM 0 HG2 ARG A 97 19.110 1.307 11.586 1.00 1.77 H new ATOM 0 HG3 ARG A 97 17.568 1.516 12.393 1.00 1.77 H new ATOM 0 HD2 ARG A 97 17.179 -0.220 10.093 1.00 2.23 H new ATOM 0 HD3 ARG A 97 18.536 -0.824 11.023 1.00 2.23 H new ATOM 0 HE ARG A 97 15.930 -1.352 11.805 1.00 2.70 H new ATOM 0 HH11 ARG A 97 18.874 -0.482 13.263 1.00 3.56 H new ATOM 0 HH12 ARG A 97 18.180 -0.129 14.849 1.00 3.56 H new ATOM 0 HH21 ARG A 97 14.876 -0.391 13.737 1.00 3.58 H new ATOM 0 HH22 ARG A 97 15.936 -0.078 15.115 1.00 3.58 H new ATOM 579 N LEU A 98 19.310 3.956 8.505 1.00 1.64 N ATOM 580 CA LEU A 98 20.529 4.148 7.673 1.00 1.75 C ATOM 581 C LEU A 98 21.318 5.345 8.207 1.00 1.91 C ATOM 582 O LEU A 98 22.519 5.287 8.377 1.00 2.05 O ATOM 583 CB LEU A 98 20.122 4.412 6.221 1.00 1.69 C ATOM 584 CG LEU A 98 19.688 3.100 5.566 1.00 2.11 C ATOM 585 CD1 LEU A 98 19.082 3.391 4.192 1.00 2.66 C ATOM 586 CD2 LEU A 98 20.906 2.187 5.402 1.00 2.38 C ATOM 0 H LEU A 98 18.427 3.976 7.995 1.00 1.64 H new ATOM 0 HA LEU A 98 21.147 3.251 7.717 1.00 1.75 H new ATOM 0 HB2 LEU A 98 19.307 5.135 6.186 1.00 1.69 H new ATOM 0 HB3 LEU A 98 20.957 4.846 5.671 1.00 1.69 H new ATOM 0 HG LEU A 98 18.945 2.608 6.194 1.00 2.11 H new ATOM 0 HD11 LEU A 98 18.773 2.456 3.725 1.00 2.66 H new ATOM 0 HD12 LEU A 98 18.216 4.043 4.307 1.00 2.66 H new ATOM 0 HD13 LEU A 98 19.825 3.882 3.563 1.00 2.66 H new ATOM 0 HD21 LEU A 98 20.599 1.251 4.935 1.00 2.38 H new ATOM 0 HD22 LEU A 98 21.648 2.680 4.774 1.00 2.38 H new ATOM 0 HD23 LEU A 98 21.339 1.979 6.380 1.00 2.38 H new ATOM 598 N ILE A 99 20.647 6.432 8.466 1.00 1.90 N ATOM 599 CA ILE A 99 21.348 7.641 8.984 1.00 2.06 C ATOM 600 C ILE A 99 21.713 7.447 10.459 1.00 2.14 C ATOM 601 O ILE A 99 22.816 7.742 10.875 1.00 2.20 O ATOM 602 CB ILE A 99 20.429 8.855 8.846 1.00 2.05 C ATOM 603 CG1 ILE A 99 19.120 8.594 9.599 1.00 1.98 C ATOM 604 CG2 ILE A 99 20.124 9.102 7.368 1.00 2.03 C ATOM 605 CD1 ILE A 99 18.165 9.771 9.385 1.00 2.00 C ATOM 0 H ILE A 99 19.640 6.536 8.341 1.00 1.90 H new ATOM 0 HA ILE A 99 22.260 7.798 8.409 1.00 2.06 H new ATOM 0 HB ILE A 99 20.923 9.731 9.266 1.00 2.05 H new ATOM 0 HG12 ILE A 99 18.662 7.671 9.244 1.00 1.98 H new ATOM 0 HG13 ILE A 99 19.320 8.463 10.662 1.00 1.98 H new ATOM 0 HG21 ILE A 99 19.469 9.968 7.271 1.00 2.03 H new ATOM 0 HG22 ILE A 99 21.054 9.289 6.831 1.00 2.03 H new ATOM 0 HG23 ILE A 99 19.632 8.226 6.947 1.00 2.03 H new ATOM 0 HD11 ILE A 99 17.234 9.586 9.920 1.00 2.00 H new ATOM 0 HD12 ILE A 99 18.624 10.685 9.761 1.00 2.00 H new ATOM 0 HD13 ILE A 99 17.956 9.881 8.321 1.00 2.00 H new ATOM 617 N LYS A 100 20.798 6.965 11.255 1.00 2.35 N ATOM 618 CA LYS A 100 21.101 6.771 12.702 1.00 2.45 C ATOM 619 C LYS A 100 20.736 5.347 13.124 1.00 2.85 C ATOM 620 O LYS A 100 20.058 4.635 12.416 1.00 3.21 O ATOM 621 CB LYS A 100 20.288 7.768 13.529 1.00 2.30 C ATOM 622 CG LYS A 100 21.221 8.829 14.111 1.00 2.60 C ATOM 623 CD LYS A 100 21.271 10.036 13.174 1.00 2.94 C ATOM 624 CE LYS A 100 22.722 10.318 12.781 1.00 3.56 C ATOM 625 NZ LYS A 100 23.446 10.904 13.943 1.00 3.91 N ATOM 0 H LYS A 100 19.857 6.698 10.968 1.00 2.35 H new ATOM 0 HA LYS A 100 22.166 6.934 12.870 1.00 2.45 H new ATOM 0 HB2 LYS A 100 19.528 8.239 12.906 1.00 2.30 H new ATOM 0 HB3 LYS A 100 19.765 7.249 14.332 1.00 2.30 H new ATOM 0 HG2 LYS A 100 20.870 9.135 15.097 1.00 2.60 H new ATOM 0 HG3 LYS A 100 22.221 8.416 14.242 1.00 2.60 H new ATOM 0 HD2 LYS A 100 20.673 9.843 12.283 1.00 2.94 H new ATOM 0 HD3 LYS A 100 20.840 10.909 13.665 1.00 2.94 H new ATOM 0 HE2 LYS A 100 23.209 9.397 12.462 1.00 3.56 H new ATOM 0 HE3 LYS A 100 22.754 11.005 11.935 1.00 3.56 H new ATOM 0 HZ1 LYS A 100 24.433 11.096 13.676 1.00 3.91 H new ATOM 0 HZ2 LYS A 100 22.985 11.792 14.227 1.00 3.91 H new ATOM 0 HZ3 LYS A 100 23.426 10.234 14.738 1.00 3.91 H new ATOM 639 N LYS A 101 21.182 4.928 14.278 1.00 3.09 N ATOM 640 CA LYS A 101 20.864 3.549 14.749 1.00 3.63 C ATOM 641 C LYS A 101 21.712 2.539 13.977 1.00 4.10 C ATOM 642 O LYS A 101 22.844 2.319 14.374 1.00 4.56 O ATOM 643 CB LYS A 101 19.380 3.251 14.515 1.00 3.99 C ATOM 644 CG LYS A 101 18.539 4.462 14.928 1.00 4.58 C ATOM 645 CD LYS A 101 18.983 4.946 16.310 1.00 5.25 C ATOM 646 CE LYS A 101 17.764 5.426 17.099 1.00 6.09 C ATOM 647 NZ LYS A 101 17.694 6.913 17.053 1.00 6.53 N ATOM 648 OXT LYS A 101 21.215 2.003 13.000 1.00 4.44 O ATOM 0 H LYS A 101 21.754 5.482 14.916 1.00 3.09 H new ATOM 0 HA LYS A 101 21.084 3.473 15.814 1.00 3.63 H new ATOM 0 HB2 LYS A 101 19.207 3.017 13.464 1.00 3.99 H new ATOM 0 HB3 LYS A 101 19.080 2.375 15.090 1.00 3.99 H new ATOM 0 HG2 LYS A 101 18.652 5.263 14.197 1.00 4.58 H new ATOM 0 HG3 LYS A 101 17.482 4.195 14.947 1.00 4.58 H new ATOM 0 HD2 LYS A 101 19.482 4.139 16.847 1.00 5.25 H new ATOM 0 HD3 LYS A 101 19.706 5.756 16.209 1.00 5.25 H new ATOM 0 HE2 LYS A 101 16.854 4.996 16.680 1.00 6.09 H new ATOM 0 HE3 LYS A 101 17.830 5.087 18.133 1.00 6.09 H new ATOM 0 HZ1 LYS A 101 16.865 7.238 17.590 1.00 6.53 H new ATOM 0 HZ2 LYS A 101 18.557 7.314 17.472 1.00 6.53 H new ATOM 0 HZ3 LYS A 101 17.611 7.226 16.065 1.00 6.53 H new TER 662 LYS A 101 ATOM 663 N VAL B 62 -24.676 -29.759 19.455 1.00 19.64 N ATOM 664 CA VAL B 62 -23.711 -28.882 18.734 1.00 19.45 C ATOM 665 C VAL B 62 -23.523 -27.578 19.513 1.00 18.79 C ATOM 666 O VAL B 62 -24.382 -27.165 20.268 1.00 19.02 O ATOM 667 CB VAL B 62 -24.251 -28.570 17.337 1.00 19.77 C ATOM 668 CG1 VAL B 62 -23.162 -27.891 16.505 1.00 20.22 C ATOM 669 CG2 VAL B 62 -24.675 -29.872 16.652 1.00 19.99 C ATOM 0 HA VAL B 62 -22.752 -29.393 18.647 1.00 19.45 H new ATOM 0 HB VAL B 62 -25.110 -27.905 17.422 1.00 19.77 H new ATOM 0 HG11 VAL B 62 -23.549 -27.670 15.510 1.00 20.22 H new ATOM 0 HG12 VAL B 62 -22.858 -26.964 16.991 1.00 20.22 H new ATOM 0 HG13 VAL B 62 -22.302 -28.555 16.420 1.00 20.22 H new ATOM 0 HG21 VAL B 62 -25.060 -29.651 15.657 1.00 19.99 H new ATOM 0 HG22 VAL B 62 -23.815 -30.536 16.569 1.00 19.99 H new ATOM 0 HG23 VAL B 62 -25.453 -30.357 17.242 1.00 19.99 H new ATOM 681 N GLN B 63 -22.406 -26.924 19.338 1.00 18.10 N ATOM 682 CA GLN B 63 -22.167 -25.647 20.070 1.00 17.56 C ATOM 683 C GLN B 63 -21.682 -24.579 19.091 1.00 16.86 C ATOM 684 O GLN B 63 -20.825 -23.776 19.401 1.00 16.59 O ATOM 685 CB GLN B 63 -21.103 -25.867 21.141 1.00 17.30 C ATOM 686 CG GLN B 63 -19.861 -26.499 20.510 1.00 17.01 C ATOM 687 CD GLN B 63 -18.738 -25.462 20.444 1.00 16.75 C ATOM 688 OE1 GLN B 63 -18.083 -25.194 21.433 1.00 17.03 O ATOM 689 NE2 GLN B 63 -18.486 -24.863 19.313 1.00 16.36 N ATOM 0 H GLN B 63 -21.650 -27.219 18.720 1.00 18.10 H new ATOM 0 HA GLN B 63 -23.096 -25.319 20.537 1.00 17.56 H new ATOM 0 HB2 GLN B 63 -20.842 -24.918 21.609 1.00 17.30 H new ATOM 0 HB3 GLN B 63 -21.493 -26.514 21.927 1.00 17.30 H new ATOM 0 HG2 GLN B 63 -19.541 -27.361 21.096 1.00 17.01 H new ATOM 0 HG3 GLN B 63 -20.094 -26.863 19.509 1.00 17.01 H new ATOM 0 HE21 GLN B 63 -19.035 -25.088 18.483 1.00 16.36 H new ATOM 0 HE22 GLN B 63 -17.740 -24.170 19.258 1.00 16.36 H new ATOM 698 N LEU B 64 -22.226 -24.567 17.911 1.00 16.69 N ATOM 699 CA LEU B 64 -21.807 -23.556 16.900 1.00 16.15 C ATOM 700 C LEU B 64 -20.364 -23.831 16.467 1.00 15.61 C ATOM 701 O LEU B 64 -19.612 -24.487 17.160 1.00 15.57 O ATOM 702 CB LEU B 64 -21.896 -22.155 17.511 1.00 16.73 C ATOM 703 CG LEU B 64 -22.247 -21.143 16.419 1.00 16.88 C ATOM 704 CD1 LEU B 64 -23.267 -20.140 16.960 1.00 17.47 C ATOM 705 CD2 LEU B 64 -20.980 -20.399 15.990 1.00 17.27 C ATOM 0 H LEU B 64 -22.948 -25.217 17.599 1.00 16.69 H new ATOM 0 HA LEU B 64 -22.465 -23.618 16.033 1.00 16.15 H new ATOM 0 HB2 LEU B 64 -22.652 -22.136 18.296 1.00 16.73 H new ATOM 0 HB3 LEU B 64 -20.947 -21.889 17.977 1.00 16.73 H new ATOM 0 HG LEU B 64 -22.672 -21.666 15.562 1.00 16.88 H new ATOM 0 HD11 LEU B 64 -23.517 -19.419 16.181 1.00 17.47 H new ATOM 0 HD12 LEU B 64 -24.169 -20.669 17.268 1.00 17.47 H new ATOM 0 HD13 LEU B 64 -22.843 -19.616 17.817 1.00 17.47 H new ATOM 0 HD21 LEU B 64 -21.228 -19.677 15.212 1.00 17.27 H new ATOM 0 HD22 LEU B 64 -20.557 -19.877 16.848 1.00 17.27 H new ATOM 0 HD23 LEU B 64 -20.252 -21.113 15.604 1.00 17.27 H new ATOM 717 N ALA B 65 -19.973 -23.334 15.325 1.00 15.34 N ATOM 718 CA ALA B 65 -18.579 -23.566 14.847 1.00 14.99 C ATOM 719 C ALA B 65 -18.271 -22.610 13.693 1.00 14.10 C ATOM 720 O ALA B 65 -18.129 -23.017 12.557 1.00 13.96 O ATOM 721 CB ALA B 65 -18.438 -25.011 14.363 1.00 15.58 C ATOM 0 H ALA B 65 -20.558 -22.777 14.702 1.00 15.34 H new ATOM 0 HA ALA B 65 -17.880 -23.388 15.665 1.00 14.99 H new ATOM 0 HB1 ALA B 65 -17.419 -25.180 14.014 1.00 15.58 H new ATOM 0 HB2 ALA B 65 -18.658 -25.693 15.184 1.00 15.58 H new ATOM 0 HB3 ALA B 65 -19.136 -25.191 13.546 1.00 15.58 H new ATOM 727 N HIS B 66 -18.168 -21.340 13.974 1.00 13.65 N ATOM 728 CA HIS B 66 -17.872 -20.358 12.893 1.00 12.91 C ATOM 729 C HIS B 66 -18.922 -20.487 11.788 1.00 12.30 C ATOM 730 O HIS B 66 -18.611 -20.812 10.659 1.00 12.38 O ATOM 731 CB HIS B 66 -16.484 -20.637 12.313 1.00 12.96 C ATOM 732 CG HIS B 66 -15.571 -21.124 13.405 1.00 13.34 C ATOM 733 ND1 HIS B 66 -15.441 -22.468 13.713 1.00 13.54 N ATOM 734 CD2 HIS B 66 -14.738 -20.457 14.268 1.00 13.74 C ATOM 735 CE1 HIS B 66 -14.560 -22.568 14.725 1.00 14.03 C ATOM 736 NE2 HIS B 66 -14.101 -21.371 15.102 1.00 14.18 N ATOM 0 H HIS B 66 -18.276 -20.940 14.906 1.00 13.65 H new ATOM 0 HA HIS B 66 -17.896 -19.348 13.303 1.00 12.91 H new ATOM 0 HB2 HIS B 66 -16.552 -21.384 11.522 1.00 12.96 H new ATOM 0 HB3 HIS B 66 -16.078 -19.731 11.862 1.00 12.96 H new ATOM 0 HD2 HIS B 66 -14.598 -19.386 14.296 1.00 13.74 H new ATOM 0 HE1 HIS B 66 -14.260 -23.502 15.177 1.00 14.03 H new ATOM 0 HE2 HIS B 66 -13.428 -21.170 15.842 1.00 14.18 H new ATOM 744 N HIS B 67 -20.161 -20.237 12.105 1.00 11.87 N ATOM 745 CA HIS B 67 -21.233 -20.348 11.074 1.00 11.46 C ATOM 746 C HIS B 67 -21.100 -19.200 10.070 1.00 10.55 C ATOM 747 O HIS B 67 -21.680 -19.227 9.003 1.00 10.53 O ATOM 748 CB HIS B 67 -22.599 -20.270 11.756 1.00 11.84 C ATOM 749 CG HIS B 67 -23.466 -21.402 11.277 1.00 12.35 C ATOM 750 ND1 HIS B 67 -24.818 -21.239 11.022 1.00 12.68 N ATOM 751 CD2 HIS B 67 -23.189 -22.718 11.003 1.00 12.80 C ATOM 752 CE1 HIS B 67 -25.300 -22.425 10.613 1.00 13.29 C ATOM 753 NE2 HIS B 67 -24.349 -23.364 10.584 1.00 13.39 N ATOM 0 H HIS B 67 -20.479 -19.960 13.034 1.00 11.87 H new ATOM 0 HA HIS B 67 -21.137 -21.299 10.551 1.00 11.46 H new ATOM 0 HB2 HIS B 67 -22.480 -20.322 12.838 1.00 11.84 H new ATOM 0 HB3 HIS B 67 -23.074 -19.315 11.533 1.00 11.84 H new ATOM 0 HD2 HIS B 67 -22.218 -23.182 11.098 1.00 12.80 H new ATOM 0 HE1 HIS B 67 -26.331 -22.598 10.341 1.00 13.29 H new ATOM 0 HE2 HIS B 67 -24.451 -24.342 10.313 1.00 13.39 H new ATOM 761 N PHE B 68 -20.344 -18.191 10.404 1.00 10.00 N ATOM 762 CA PHE B 68 -20.179 -17.043 9.469 1.00 9.29 C ATOM 763 C PHE B 68 -19.318 -17.469 8.277 1.00 8.27 C ATOM 764 O PHE B 68 -18.696 -18.512 8.288 1.00 8.29 O ATOM 765 CB PHE B 68 -19.500 -15.884 10.202 1.00 9.52 C ATOM 766 CG PHE B 68 -20.283 -15.552 11.448 1.00 10.43 C ATOM 767 CD1 PHE B 68 -21.682 -15.532 11.411 1.00 11.07 C ATOM 768 CD2 PHE B 68 -19.611 -15.266 12.643 1.00 10.86 C ATOM 769 CE1 PHE B 68 -22.409 -15.225 12.567 1.00 12.06 C ATOM 770 CE2 PHE B 68 -20.338 -14.959 13.799 1.00 11.86 C ATOM 771 CZ PHE B 68 -21.737 -14.939 13.761 1.00 12.43 C ATOM 0 H PHE B 68 -19.834 -18.112 11.284 1.00 10.00 H new ATOM 0 HA PHE B 68 -21.158 -16.724 9.110 1.00 9.29 H new ATOM 0 HB2 PHE B 68 -18.477 -16.154 10.463 1.00 9.52 H new ATOM 0 HB3 PHE B 68 -19.443 -15.011 9.552 1.00 9.52 H new ATOM 0 HD1 PHE B 68 -22.201 -15.754 10.490 1.00 11.07 H new ATOM 0 HD2 PHE B 68 -18.532 -15.282 12.673 1.00 10.86 H new ATOM 0 HE1 PHE B 68 -23.488 -15.209 12.538 1.00 12.06 H new ATOM 0 HE2 PHE B 68 -19.820 -14.738 14.720 1.00 11.86 H new ATOM 0 HZ PHE B 68 -22.298 -14.703 14.653 1.00 12.43 H new ATOM 781 N SER B 69 -19.278 -16.665 7.249 1.00 7.61 N ATOM 782 CA SER B 69 -18.459 -17.015 6.055 1.00 6.80 C ATOM 783 C SER B 69 -17.982 -15.731 5.375 1.00 5.60 C ATOM 784 O SER B 69 -17.827 -14.705 6.006 1.00 5.39 O ATOM 785 CB SER B 69 -19.306 -17.827 5.073 1.00 7.36 C ATOM 786 OG SER B 69 -20.501 -18.244 5.718 1.00 8.12 O ATOM 0 H SER B 69 -19.779 -15.779 7.185 1.00 7.61 H new ATOM 0 HA SER B 69 -17.598 -17.607 6.365 1.00 6.80 H new ATOM 0 HB2 SER B 69 -19.543 -17.225 4.196 1.00 7.36 H new ATOM 0 HB3 SER B 69 -18.746 -18.694 4.723 1.00 7.36 H new ATOM 0 HG SER B 69 -21.047 -18.763 5.091 1.00 8.12 H new ATOM 792 N GLU B 70 -17.751 -15.777 4.090 1.00 5.12 N ATOM 793 CA GLU B 70 -17.287 -14.555 3.375 1.00 4.22 C ATOM 794 C GLU B 70 -15.822 -14.276 3.734 1.00 3.04 C ATOM 795 O GLU B 70 -15.543 -13.701 4.768 1.00 3.18 O ATOM 796 CB GLU B 70 -18.148 -13.362 3.800 1.00 4.88 C ATOM 797 CG GLU B 70 -18.809 -12.745 2.566 1.00 5.77 C ATOM 798 CD GLU B 70 -20.289 -13.129 2.533 1.00 6.71 C ATOM 799 OE1 GLU B 70 -20.703 -13.887 3.395 1.00 7.29 O ATOM 800 OE2 GLU B 70 -20.984 -12.658 1.648 1.00 7.09 O ATOM 0 H GLU B 70 -17.863 -16.606 3.507 1.00 5.12 H new ATOM 0 HA GLU B 70 -17.375 -14.708 2.299 1.00 4.22 H new ATOM 0 HB2 GLU B 70 -18.909 -13.684 4.511 1.00 4.88 H new ATOM 0 HB3 GLU B 70 -17.533 -12.618 4.307 1.00 4.88 H new ATOM 0 HG2 GLU B 70 -18.704 -11.660 2.589 1.00 5.77 H new ATOM 0 HG3 GLU B 70 -18.312 -13.094 1.661 1.00 5.77 H new ATOM 807 N PRO B 71 -14.928 -14.693 2.869 1.00 2.28 N ATOM 808 CA PRO B 71 -13.480 -14.497 3.073 1.00 1.48 C ATOM 809 C PRO B 71 -13.146 -13.001 3.121 1.00 1.33 C ATOM 810 O PRO B 71 -12.358 -12.506 2.338 1.00 1.29 O ATOM 811 CB PRO B 71 -12.817 -15.159 1.857 1.00 2.00 C ATOM 812 CG PRO B 71 -13.944 -15.714 0.948 1.00 2.71 C ATOM 813 CD PRO B 71 -15.288 -15.397 1.624 1.00 2.87 C ATOM 0 HA PRO B 71 -13.133 -14.927 4.013 1.00 1.48 H new ATOM 0 HB2 PRO B 71 -12.208 -14.437 1.313 1.00 2.00 H new ATOM 0 HB3 PRO B 71 -12.152 -15.962 2.174 1.00 2.00 H new ATOM 0 HG2 PRO B 71 -13.897 -15.259 -0.041 1.00 2.71 H new ATOM 0 HG3 PRO B 71 -13.829 -16.789 0.810 1.00 2.71 H new ATOM 0 HD2 PRO B 71 -15.915 -14.775 0.985 1.00 2.87 H new ATOM 0 HD3 PRO B 71 -15.850 -16.307 1.833 1.00 2.87 H new ATOM 821 N GLU B 72 -13.736 -12.280 4.034 1.00 1.30 N ATOM 822 CA GLU B 72 -13.454 -10.821 4.134 1.00 1.19 C ATOM 823 C GLU B 72 -11.993 -10.612 4.530 1.00 1.06 C ATOM 824 O GLU B 72 -11.166 -10.241 3.719 1.00 1.01 O ATOM 825 CB GLU B 72 -14.363 -10.199 5.197 1.00 1.29 C ATOM 826 CG GLU B 72 -15.640 -9.676 4.538 1.00 1.90 C ATOM 827 CD GLU B 72 -16.496 -8.955 5.582 1.00 2.25 C ATOM 828 OE1 GLU B 72 -15.973 -8.072 6.240 1.00 2.52 O ATOM 829 OE2 GLU B 72 -17.660 -9.299 5.705 1.00 2.89 O ATOM 0 H GLU B 72 -14.403 -12.640 4.717 1.00 1.30 H new ATOM 0 HA GLU B 72 -13.642 -10.347 3.171 1.00 1.19 H new ATOM 0 HB2 GLU B 72 -14.611 -10.940 5.957 1.00 1.29 H new ATOM 0 HB3 GLU B 72 -13.844 -9.385 5.703 1.00 1.29 H new ATOM 0 HG2 GLU B 72 -15.389 -8.995 3.725 1.00 1.90 H new ATOM 0 HG3 GLU B 72 -16.201 -10.502 4.101 1.00 1.90 H new ATOM 836 N ILE B 73 -11.666 -10.845 5.771 1.00 1.07 N ATOM 837 CA ILE B 73 -10.263 -10.660 6.219 1.00 0.98 C ATOM 838 C ILE B 73 -9.310 -11.262 5.181 1.00 0.89 C ATOM 839 O ILE B 73 -8.263 -10.717 4.899 1.00 0.82 O ATOM 840 CB ILE B 73 -10.071 -11.346 7.577 1.00 1.09 C ATOM 841 CG1 ILE B 73 -8.864 -10.728 8.278 1.00 1.29 C ATOM 842 CG2 ILE B 73 -9.840 -12.849 7.387 1.00 1.27 C ATOM 843 CD1 ILE B 73 -9.323 -10.046 9.567 1.00 2.11 C ATOM 0 H ILE B 73 -12.314 -11.156 6.494 1.00 1.07 H new ATOM 0 HA ILE B 73 -10.045 -9.597 6.322 1.00 0.98 H new ATOM 0 HB ILE B 73 -10.967 -11.205 8.181 1.00 1.09 H new ATOM 0 HG12 ILE B 73 -8.126 -11.498 8.503 1.00 1.29 H new ATOM 0 HG13 ILE B 73 -8.380 -10.004 7.623 1.00 1.29 H new ATOM 0 HG21 ILE B 73 -9.705 -13.322 8.360 1.00 1.27 H new ATOM 0 HG22 ILE B 73 -10.702 -13.289 6.886 1.00 1.27 H new ATOM 0 HG23 ILE B 73 -8.948 -13.006 6.780 1.00 1.27 H new ATOM 0 HD11 ILE B 73 -8.463 -9.603 10.070 1.00 2.11 H new ATOM 0 HD12 ILE B 73 -10.045 -9.265 9.328 1.00 2.11 H new ATOM 0 HD13 ILE B 73 -9.788 -10.782 10.223 1.00 2.11 H new ATOM 855 N THR B 74 -9.667 -12.380 4.611 1.00 0.92 N ATOM 856 CA THR B 74 -8.787 -13.019 3.590 1.00 0.87 C ATOM 857 C THR B 74 -8.565 -12.053 2.424 1.00 0.77 C ATOM 858 O THR B 74 -7.455 -11.857 1.963 1.00 0.69 O ATOM 859 CB THR B 74 -9.453 -14.297 3.075 1.00 0.99 C ATOM 860 OG1 THR B 74 -9.671 -15.186 4.161 1.00 1.57 O ATOM 861 CG2 THR B 74 -8.550 -14.965 2.038 1.00 1.43 C ATOM 0 H THR B 74 -10.533 -12.881 4.809 1.00 0.92 H new ATOM 0 HA THR B 74 -7.826 -13.264 4.042 1.00 0.87 H new ATOM 0 HB THR B 74 -10.408 -14.048 2.612 1.00 0.99 H new ATOM 0 HG1 THR B 74 -10.099 -16.004 3.833 1.00 1.57 H new ATOM 0 HG21 THR B 74 -9.026 -15.875 1.673 1.00 1.43 H new ATOM 0 HG22 THR B 74 -8.386 -14.282 1.205 1.00 1.43 H new ATOM 0 HG23 THR B 74 -7.593 -15.215 2.496 1.00 1.43 H new ATOM 869 N LEU B 75 -9.610 -11.449 1.932 1.00 0.81 N ATOM 870 CA LEU B 75 -9.445 -10.504 0.793 1.00 0.74 C ATOM 871 C LEU B 75 -8.843 -9.194 1.299 1.00 0.62 C ATOM 872 O LEU B 75 -7.916 -8.668 0.718 1.00 0.52 O ATOM 873 CB LEU B 75 -10.806 -10.228 0.143 1.00 0.87 C ATOM 874 CG LEU B 75 -10.630 -10.092 -1.371 1.00 1.11 C ATOM 875 CD1 LEU B 75 -11.915 -9.537 -1.989 1.00 1.02 C ATOM 876 CD2 LEU B 75 -9.472 -9.137 -1.666 1.00 1.63 C ATOM 0 H LEU B 75 -10.566 -11.568 2.267 1.00 0.81 H new ATOM 0 HA LEU B 75 -8.779 -10.948 0.053 1.00 0.74 H new ATOM 0 HB2 LEU B 75 -11.499 -11.038 0.368 1.00 0.87 H new ATOM 0 HB3 LEU B 75 -11.238 -9.315 0.553 1.00 0.87 H new ATOM 0 HG LEU B 75 -10.414 -11.071 -1.799 1.00 1.11 H new ATOM 0 HD11 LEU B 75 -11.788 -9.441 -3.067 1.00 1.02 H new ATOM 0 HD12 LEU B 75 -12.742 -10.216 -1.780 1.00 1.02 H new ATOM 0 HD13 LEU B 75 -12.132 -8.559 -1.560 1.00 1.02 H new ATOM 0 HD21 LEU B 75 -9.346 -9.040 -2.744 1.00 1.63 H new ATOM 0 HD22 LEU B 75 -9.689 -8.159 -1.236 1.00 1.63 H new ATOM 0 HD23 LEU B 75 -8.555 -9.531 -1.228 1.00 1.63 H new ATOM 888 N ILE B 76 -9.357 -8.651 2.371 1.00 0.66 N ATOM 889 CA ILE B 76 -8.789 -7.370 2.877 1.00 0.59 C ATOM 890 C ILE B 76 -7.294 -7.547 3.160 1.00 0.48 C ATOM 891 O ILE B 76 -6.480 -6.752 2.732 1.00 0.39 O ATOM 892 CB ILE B 76 -9.506 -6.964 4.165 1.00 0.70 C ATOM 893 CG1 ILE B 76 -11.019 -7.035 3.945 1.00 0.89 C ATOM 894 CG2 ILE B 76 -9.111 -5.535 4.540 1.00 0.73 C ATOM 895 CD1 ILE B 76 -11.734 -6.438 5.155 1.00 1.02 C ATOM 0 H ILE B 76 -10.134 -9.033 2.910 1.00 0.66 H new ATOM 0 HA ILE B 76 -8.927 -6.593 2.125 1.00 0.59 H new ATOM 0 HB ILE B 76 -9.222 -7.641 4.971 1.00 0.70 H new ATOM 0 HG12 ILE B 76 -11.293 -6.490 3.041 1.00 0.89 H new ATOM 0 HG13 ILE B 76 -11.329 -8.070 3.799 1.00 0.89 H new ATOM 0 HG21 ILE B 76 -9.622 -5.245 5.458 1.00 0.73 H new ATOM 0 HG22 ILE B 76 -8.033 -5.484 4.693 1.00 0.73 H new ATOM 0 HG23 ILE B 76 -9.396 -4.856 3.736 1.00 0.73 H new ATOM 0 HD11 ILE B 76 -12.812 -6.487 5.001 1.00 1.02 H new ATOM 0 HD12 ILE B 76 -11.469 -7.002 6.049 1.00 1.02 H new ATOM 0 HD13 ILE B 76 -11.432 -5.398 5.279 1.00 1.02 H new ATOM 907 N ILE B 77 -6.918 -8.590 3.852 1.00 0.51 N ATOM 908 CA ILE B 77 -5.469 -8.805 4.119 1.00 0.45 C ATOM 909 C ILE B 77 -4.736 -8.888 2.781 1.00 0.35 C ATOM 910 O ILE B 77 -3.718 -8.259 2.576 1.00 0.30 O ATOM 911 CB ILE B 77 -5.252 -10.094 4.917 1.00 0.52 C ATOM 912 CG1 ILE B 77 -5.625 -11.301 4.058 1.00 1.19 C ATOM 913 CG2 ILE B 77 -6.127 -10.073 6.171 1.00 1.41 C ATOM 914 CD1 ILE B 77 -5.516 -12.577 4.897 1.00 1.86 C ATOM 0 H ILE B 77 -7.545 -9.295 4.240 1.00 0.51 H new ATOM 0 HA ILE B 77 -5.081 -7.975 4.709 1.00 0.45 H new ATOM 0 HB ILE B 77 -4.203 -10.166 5.205 1.00 0.52 H new ATOM 0 HG12 ILE B 77 -6.640 -11.190 3.676 1.00 1.19 H new ATOM 0 HG13 ILE B 77 -4.964 -11.364 3.193 1.00 1.19 H new ATOM 0 HG21 ILE B 77 -5.972 -10.991 6.738 1.00 1.41 H new ATOM 0 HG22 ILE B 77 -5.858 -9.215 6.788 1.00 1.41 H new ATOM 0 HG23 ILE B 77 -7.175 -9.998 5.882 1.00 1.41 H new ATOM 0 HD11 ILE B 77 -5.782 -13.439 4.285 1.00 1.86 H new ATOM 0 HD12 ILE B 77 -4.493 -12.689 5.257 1.00 1.86 H new ATOM 0 HD13 ILE B 77 -6.195 -12.512 5.747 1.00 1.86 H new ATOM 926 N PHE B 78 -5.258 -9.661 1.865 1.00 0.37 N ATOM 927 CA PHE B 78 -4.597 -9.783 0.533 1.00 0.34 C ATOM 928 C PHE B 78 -4.474 -8.394 -0.093 1.00 0.29 C ATOM 929 O PHE B 78 -3.429 -8.016 -0.583 1.00 0.27 O ATOM 930 CB PHE B 78 -5.426 -10.684 -0.389 1.00 0.44 C ATOM 931 CG PHE B 78 -4.731 -12.014 -0.545 1.00 1.05 C ATOM 932 CD1 PHE B 78 -4.328 -12.731 0.588 1.00 1.97 C ATOM 933 CD2 PHE B 78 -4.487 -12.531 -1.824 1.00 1.80 C ATOM 934 CE1 PHE B 78 -3.681 -13.964 0.443 1.00 2.71 C ATOM 935 CE2 PHE B 78 -3.840 -13.763 -1.969 1.00 2.57 C ATOM 936 CZ PHE B 78 -3.437 -14.480 -0.836 1.00 2.81 C ATOM 0 H PHE B 78 -6.109 -10.211 1.981 1.00 0.37 H new ATOM 0 HA PHE B 78 -3.608 -10.224 0.662 1.00 0.34 H new ATOM 0 HB2 PHE B 78 -6.423 -10.829 0.026 1.00 0.44 H new ATOM 0 HB3 PHE B 78 -5.551 -10.210 -1.363 1.00 0.44 H new ATOM 0 HD1 PHE B 78 -4.516 -12.333 1.574 1.00 1.97 H new ATOM 0 HD2 PHE B 78 -4.798 -11.978 -2.698 1.00 1.80 H new ATOM 0 HE1 PHE B 78 -3.370 -14.517 1.317 1.00 2.71 H new ATOM 0 HE2 PHE B 78 -3.651 -14.161 -2.955 1.00 2.57 H new ATOM 0 HZ PHE B 78 -2.938 -15.431 -0.948 1.00 2.81 H new ATOM 946 N GLY B 79 -5.531 -7.627 -0.079 1.00 0.30 N ATOM 947 CA GLY B 79 -5.461 -6.262 -0.671 1.00 0.28 C ATOM 948 C GLY B 79 -4.345 -5.476 0.017 1.00 0.22 C ATOM 949 O GLY B 79 -3.525 -4.852 -0.627 1.00 0.23 O ATOM 0 H GLY B 79 -6.435 -7.886 0.315 1.00 0.30 H new ATOM 0 HA2 GLY B 79 -5.271 -6.326 -1.742 1.00 0.28 H new ATOM 0 HA3 GLY B 79 -6.414 -5.749 -0.547 1.00 0.28 H new ATOM 953 N VAL B 80 -4.299 -5.506 1.323 1.00 0.22 N ATOM 954 CA VAL B 80 -3.226 -4.764 2.040 1.00 0.23 C ATOM 955 C VAL B 80 -1.867 -5.261 1.544 1.00 0.22 C ATOM 956 O VAL B 80 -0.996 -4.485 1.198 1.00 0.23 O ATOM 957 CB VAL B 80 -3.357 -5.015 3.543 1.00 0.27 C ATOM 958 CG1 VAL B 80 -2.190 -4.353 4.277 1.00 0.33 C ATOM 959 CG2 VAL B 80 -4.678 -4.420 4.041 1.00 0.30 C ATOM 0 H VAL B 80 -4.955 -6.010 1.920 1.00 0.22 H new ATOM 0 HA VAL B 80 -3.315 -3.695 1.849 1.00 0.23 H new ATOM 0 HB VAL B 80 -3.342 -6.088 3.736 1.00 0.27 H new ATOM 0 HG11 VAL B 80 -2.285 -4.533 5.348 1.00 0.33 H new ATOM 0 HG12 VAL B 80 -1.250 -4.774 3.920 1.00 0.33 H new ATOM 0 HG13 VAL B 80 -2.202 -3.280 4.087 1.00 0.33 H new ATOM 0 HG21 VAL B 80 -4.776 -4.597 5.112 1.00 0.30 H new ATOM 0 HG22 VAL B 80 -4.690 -3.347 3.848 1.00 0.30 H new ATOM 0 HG23 VAL B 80 -5.510 -4.892 3.518 1.00 0.30 H new ATOM 969 N MET B 81 -1.688 -6.553 1.482 1.00 0.22 N ATOM 970 CA MET B 81 -0.399 -7.101 0.981 1.00 0.23 C ATOM 971 C MET B 81 -0.150 -6.572 -0.432 1.00 0.24 C ATOM 972 O MET B 81 0.924 -6.108 -0.759 1.00 0.25 O ATOM 973 CB MET B 81 -0.471 -8.630 0.953 1.00 0.26 C ATOM 974 CG MET B 81 -0.719 -9.155 2.368 1.00 0.32 C ATOM 975 SD MET B 81 -0.782 -10.964 2.336 1.00 1.15 S ATOM 976 CE MET B 81 0.686 -11.260 3.353 1.00 1.83 C ATOM 0 H MET B 81 -2.379 -7.251 1.757 1.00 0.22 H new ATOM 0 HA MET B 81 0.415 -6.793 1.637 1.00 0.23 H new ATOM 0 HB2 MET B 81 -1.271 -8.955 0.288 1.00 0.26 H new ATOM 0 HB3 MET B 81 0.458 -9.041 0.559 1.00 0.26 H new ATOM 0 HG2 MET B 81 0.074 -8.820 3.036 1.00 0.32 H new ATOM 0 HG3 MET B 81 -1.655 -8.754 2.758 1.00 0.32 H new ATOM 0 HE1 MET B 81 0.840 -12.333 3.466 1.00 1.83 H new ATOM 0 HE2 MET B 81 1.558 -10.817 2.871 1.00 1.83 H new ATOM 0 HE3 MET B 81 0.546 -10.808 4.335 1.00 1.83 H new ATOM 986 N ALA B 82 -1.149 -6.643 -1.273 1.00 0.25 N ATOM 987 CA ALA B 82 -0.997 -6.154 -2.671 1.00 0.27 C ATOM 988 C ALA B 82 -0.577 -4.679 -2.667 1.00 0.26 C ATOM 989 O ALA B 82 0.323 -4.288 -3.384 1.00 0.27 O ATOM 990 CB ALA B 82 -2.315 -6.334 -3.438 1.00 0.31 C ATOM 0 H ALA B 82 -2.069 -7.022 -1.047 1.00 0.25 H new ATOM 0 HA ALA B 82 -0.222 -6.736 -3.170 1.00 0.27 H new ATOM 0 HB1 ALA B 82 -2.194 -5.973 -4.459 1.00 0.31 H new ATOM 0 HB2 ALA B 82 -2.584 -7.390 -3.456 1.00 0.31 H new ATOM 0 HB3 ALA B 82 -3.104 -5.766 -2.944 1.00 0.31 H new ATOM 996 N GLY B 83 -1.215 -3.848 -1.880 1.00 0.25 N ATOM 997 CA GLY B 83 -0.830 -2.411 -1.868 1.00 0.26 C ATOM 998 C GLY B 83 0.652 -2.288 -1.522 1.00 0.24 C ATOM 999 O GLY B 83 1.394 -1.583 -2.178 1.00 0.24 O ATOM 0 H GLY B 83 -1.978 -4.103 -1.253 1.00 0.25 H new ATOM 0 HA2 GLY B 83 -1.026 -1.962 -2.842 1.00 0.26 H new ATOM 0 HA3 GLY B 83 -1.432 -1.868 -1.139 1.00 0.26 H new ATOM 1003 N VAL B 84 1.097 -2.972 -0.503 1.00 0.22 N ATOM 1004 CA VAL B 84 2.539 -2.885 -0.136 1.00 0.21 C ATOM 1005 C VAL B 84 3.397 -3.297 -1.338 1.00 0.21 C ATOM 1006 O VAL B 84 4.344 -2.624 -1.698 1.00 0.21 O ATOM 1007 CB VAL B 84 2.823 -3.823 1.038 1.00 0.23 C ATOM 1008 CG1 VAL B 84 4.333 -3.934 1.251 1.00 0.28 C ATOM 1009 CG2 VAL B 84 2.170 -3.263 2.303 1.00 0.31 C ATOM 0 H VAL B 84 0.530 -3.582 0.086 1.00 0.22 H new ATOM 0 HA VAL B 84 2.781 -1.861 0.150 1.00 0.21 H new ATOM 0 HB VAL B 84 2.415 -4.810 0.822 1.00 0.23 H new ATOM 0 HG11 VAL B 84 4.534 -4.603 2.088 1.00 0.28 H new ATOM 0 HG12 VAL B 84 4.799 -4.331 0.349 1.00 0.28 H new ATOM 0 HG13 VAL B 84 4.743 -2.948 1.468 1.00 0.28 H new ATOM 0 HG21 VAL B 84 2.371 -3.930 3.142 1.00 0.31 H new ATOM 0 HG22 VAL B 84 2.580 -2.276 2.518 1.00 0.31 H new ATOM 0 HG23 VAL B 84 1.093 -3.184 2.152 1.00 0.31 H new ATOM 1019 N ILE B 85 3.069 -4.395 -1.968 1.00 0.23 N ATOM 1020 CA ILE B 85 3.860 -4.844 -3.148 1.00 0.25 C ATOM 1021 C ILE B 85 3.871 -3.744 -4.214 1.00 0.26 C ATOM 1022 O ILE B 85 4.902 -3.407 -4.762 1.00 0.26 O ATOM 1023 CB ILE B 85 3.232 -6.114 -3.729 1.00 0.30 C ATOM 1024 CG1 ILE B 85 3.499 -7.288 -2.784 1.00 0.32 C ATOM 1025 CG2 ILE B 85 3.849 -6.411 -5.097 1.00 0.40 C ATOM 1026 CD1 ILE B 85 2.315 -8.255 -2.824 1.00 1.06 C ATOM 0 H ILE B 85 2.287 -4.999 -1.715 1.00 0.23 H new ATOM 0 HA ILE B 85 4.884 -5.052 -2.837 1.00 0.25 H new ATOM 0 HB ILE B 85 2.157 -5.971 -3.841 1.00 0.30 H new ATOM 0 HG12 ILE B 85 4.413 -7.804 -3.077 1.00 0.32 H new ATOM 0 HG13 ILE B 85 3.650 -6.924 -1.768 1.00 0.32 H new ATOM 0 HG21 ILE B 85 3.401 -7.315 -5.510 1.00 0.40 H new ATOM 0 HG22 ILE B 85 3.662 -5.574 -5.770 1.00 0.40 H new ATOM 0 HG23 ILE B 85 4.924 -6.556 -4.988 1.00 0.40 H new ATOM 0 HD11 ILE B 85 2.505 -9.091 -2.151 1.00 1.06 H new ATOM 0 HD12 ILE B 85 1.410 -7.735 -2.510 1.00 1.06 H new ATOM 0 HD13 ILE B 85 2.185 -8.629 -3.840 1.00 1.06 H new ATOM 1038 N GLY B 86 2.729 -3.184 -4.515 1.00 0.27 N ATOM 1039 CA GLY B 86 2.672 -2.111 -5.545 1.00 0.30 C ATOM 1040 C GLY B 86 3.608 -0.969 -5.150 1.00 0.27 C ATOM 1041 O GLY B 86 4.375 -0.476 -5.953 1.00 0.29 O ATOM 0 H GLY B 86 1.834 -3.425 -4.090 1.00 0.27 H new ATOM 0 HA2 GLY B 86 2.960 -2.511 -6.517 1.00 0.30 H new ATOM 0 HA3 GLY B 86 1.651 -1.741 -5.643 1.00 0.30 H new ATOM 1045 N THR B 87 3.550 -0.540 -3.919 1.00 0.24 N ATOM 1046 CA THR B 87 4.435 0.573 -3.478 1.00 0.24 C ATOM 1047 C THR B 87 5.896 0.195 -3.730 1.00 0.24 C ATOM 1048 O THR B 87 6.662 0.971 -4.267 1.00 0.28 O ATOM 1049 CB THR B 87 4.225 0.834 -1.985 1.00 0.25 C ATOM 1050 OG1 THR B 87 2.868 1.185 -1.755 1.00 0.32 O ATOM 1051 CG2 THR B 87 5.136 1.977 -1.533 1.00 0.28 C ATOM 0 H THR B 87 2.929 -0.912 -3.201 1.00 0.24 H new ATOM 0 HA THR B 87 4.191 1.474 -4.041 1.00 0.24 H new ATOM 0 HB THR B 87 4.468 -0.065 -1.419 1.00 0.25 H new ATOM 0 HG1 THR B 87 2.556 1.773 -2.474 1.00 0.32 H new ATOM 0 HG21 THR B 87 4.986 2.163 -0.469 1.00 0.28 H new ATOM 0 HG22 THR B 87 6.176 1.705 -1.711 1.00 0.28 H new ATOM 0 HG23 THR B 87 4.895 2.879 -2.096 1.00 0.28 H new ATOM 1059 N ILE B 88 6.292 -0.989 -3.349 1.00 0.23 N ATOM 1060 CA ILE B 88 7.704 -1.401 -3.575 1.00 0.29 C ATOM 1061 C ILE B 88 8.027 -1.294 -5.067 1.00 0.33 C ATOM 1062 O ILE B 88 9.038 -0.746 -5.458 1.00 0.40 O ATOM 1063 CB ILE B 88 7.895 -2.848 -3.113 1.00 0.33 C ATOM 1064 CG1 ILE B 88 7.606 -2.946 -1.613 1.00 0.34 C ATOM 1065 CG2 ILE B 88 9.335 -3.287 -3.384 1.00 0.40 C ATOM 1066 CD1 ILE B 88 7.674 -4.408 -1.170 1.00 0.41 C ATOM 0 H ILE B 88 5.701 -1.685 -2.893 1.00 0.23 H new ATOM 0 HA ILE B 88 8.370 -0.751 -3.008 1.00 0.29 H new ATOM 0 HB ILE B 88 7.210 -3.496 -3.660 1.00 0.33 H new ATOM 0 HG12 ILE B 88 8.329 -2.352 -1.054 1.00 0.34 H new ATOM 0 HG13 ILE B 88 6.620 -2.535 -1.395 1.00 0.34 H new ATOM 0 HG21 ILE B 88 9.469 -4.317 -3.055 1.00 0.40 H new ATOM 0 HG22 ILE B 88 9.542 -3.218 -4.452 1.00 0.40 H new ATOM 0 HG23 ILE B 88 10.022 -2.639 -2.839 1.00 0.40 H new ATOM 0 HD11 ILE B 88 7.468 -4.474 -0.102 1.00 0.41 H new ATOM 0 HD12 ILE B 88 6.934 -4.989 -1.719 1.00 0.41 H new ATOM 0 HD13 ILE B 88 8.669 -4.804 -1.373 1.00 0.41 H new ATOM 1078 N LEU B 89 7.166 -1.808 -5.905 1.00 0.33 N ATOM 1079 CA LEU B 89 7.418 -1.728 -7.371 1.00 0.41 C ATOM 1080 C LEU B 89 7.582 -0.255 -7.774 1.00 0.44 C ATOM 1081 O LEU B 89 8.494 0.104 -8.493 1.00 0.51 O ATOM 1082 CB LEU B 89 6.260 -2.411 -8.137 1.00 0.44 C ATOM 1083 CG LEU B 89 5.260 -1.388 -8.696 1.00 0.76 C ATOM 1084 CD1 LEU B 89 5.857 -0.701 -9.927 1.00 1.14 C ATOM 1085 CD2 LEU B 89 3.975 -2.115 -9.100 1.00 1.06 C ATOM 0 H LEU B 89 6.301 -2.278 -5.637 1.00 0.33 H new ATOM 0 HA LEU B 89 8.337 -2.254 -7.628 1.00 0.41 H new ATOM 0 HB2 LEU B 89 6.667 -3.005 -8.955 1.00 0.44 H new ATOM 0 HB3 LEU B 89 5.740 -3.100 -7.471 1.00 0.44 H new ATOM 0 HG LEU B 89 5.042 -0.639 -7.934 1.00 0.76 H new ATOM 0 HD11 LEU B 89 5.144 0.024 -10.321 1.00 1.14 H new ATOM 0 HD12 LEU B 89 6.778 -0.190 -9.647 1.00 1.14 H new ATOM 0 HD13 LEU B 89 6.074 -1.448 -10.691 1.00 1.14 H new ATOM 0 HD21 LEU B 89 3.260 -1.395 -9.498 1.00 1.06 H new ATOM 0 HD22 LEU B 89 4.203 -2.860 -9.862 1.00 1.06 H new ATOM 0 HD23 LEU B 89 3.546 -2.608 -8.228 1.00 1.06 H new ATOM 1097 N LEU B 90 6.705 0.596 -7.315 1.00 0.40 N ATOM 1098 CA LEU B 90 6.807 2.043 -7.671 1.00 0.47 C ATOM 1099 C LEU B 90 8.176 2.578 -7.243 1.00 0.51 C ATOM 1100 O LEU B 90 8.849 3.257 -7.994 1.00 0.60 O ATOM 1101 CB LEU B 90 5.702 2.827 -6.954 1.00 0.47 C ATOM 1102 CG LEU B 90 5.605 4.238 -7.540 1.00 1.14 C ATOM 1103 CD1 LEU B 90 6.843 5.044 -7.147 1.00 2.02 C ATOM 1104 CD2 LEU B 90 5.519 4.155 -9.067 1.00 1.67 C ATOM 0 H LEU B 90 5.922 0.353 -6.709 1.00 0.40 H new ATOM 0 HA LEU B 90 6.692 2.161 -8.748 1.00 0.47 H new ATOM 0 HB2 LEU B 90 4.748 2.311 -7.063 1.00 0.47 H new ATOM 0 HB3 LEU B 90 5.915 2.880 -5.886 1.00 0.47 H new ATOM 0 HG LEU B 90 4.713 4.728 -7.150 1.00 1.14 H new ATOM 0 HD11 LEU B 90 6.771 6.048 -7.565 1.00 2.02 H new ATOM 0 HD12 LEU B 90 6.906 5.107 -6.061 1.00 2.02 H new ATOM 0 HD13 LEU B 90 7.735 4.552 -7.534 1.00 2.02 H new ATOM 0 HD21 LEU B 90 5.450 5.160 -9.483 1.00 1.67 H new ATOM 0 HD22 LEU B 90 6.410 3.662 -9.455 1.00 1.67 H new ATOM 0 HD23 LEU B 90 4.635 3.583 -9.351 1.00 1.67 H new ATOM 1116 N ILE B 91 8.591 2.283 -6.042 1.00 0.47 N ATOM 1117 CA ILE B 91 9.914 2.781 -5.569 1.00 0.57 C ATOM 1118 C ILE B 91 11.009 2.311 -6.522 1.00 0.65 C ATOM 1119 O ILE B 91 11.850 3.084 -6.938 1.00 0.77 O ATOM 1120 CB ILE B 91 10.189 2.239 -4.165 1.00 0.55 C ATOM 1121 CG1 ILE B 91 9.131 2.773 -3.196 1.00 0.51 C ATOM 1122 CG2 ILE B 91 11.576 2.690 -3.704 1.00 0.66 C ATOM 1123 CD1 ILE B 91 9.284 2.080 -1.841 1.00 0.54 C ATOM 0 H ILE B 91 8.072 1.720 -5.368 1.00 0.47 H new ATOM 0 HA ILE B 91 9.903 3.871 -5.543 1.00 0.57 H new ATOM 0 HB ILE B 91 10.150 1.150 -4.183 1.00 0.55 H new ATOM 0 HG12 ILE B 91 9.241 3.851 -3.079 1.00 0.51 H new ATOM 0 HG13 ILE B 91 8.133 2.595 -3.597 1.00 0.51 H new ATOM 0 HG21 ILE B 91 11.771 2.303 -2.704 1.00 0.66 H new ATOM 0 HG22 ILE B 91 12.330 2.310 -4.393 1.00 0.66 H new ATOM 0 HG23 ILE B 91 11.617 3.779 -3.686 1.00 0.66 H new ATOM 0 HD11 ILE B 91 8.531 2.460 -1.151 1.00 0.54 H new ATOM 0 HD12 ILE B 91 9.153 1.005 -1.965 1.00 0.54 H new ATOM 0 HD13 ILE B 91 10.278 2.280 -1.440 1.00 0.54 H new ATOM 1135 N SER B 92 11.013 1.058 -6.885 1.00 0.63 N ATOM 1136 CA SER B 92 12.066 0.582 -7.818 1.00 0.76 C ATOM 1137 C SER B 92 12.003 1.421 -9.095 1.00 0.83 C ATOM 1138 O SER B 92 13.002 1.914 -9.577 1.00 0.95 O ATOM 1139 CB SER B 92 11.826 -0.889 -8.160 1.00 0.74 C ATOM 1140 OG SER B 92 11.769 -1.647 -6.959 1.00 1.53 O ATOM 0 H SER B 92 10.342 0.353 -6.580 1.00 0.63 H new ATOM 0 HA SER B 92 13.047 0.682 -7.353 1.00 0.76 H new ATOM 0 HB2 SER B 92 10.895 -0.998 -8.717 1.00 0.74 H new ATOM 0 HB3 SER B 92 12.626 -1.261 -8.801 1.00 0.74 H new ATOM 0 HG SER B 92 11.614 -2.590 -7.175 1.00 1.53 H new ATOM 1146 N TYR B 93 10.833 1.604 -9.641 1.00 0.77 N ATOM 1147 CA TYR B 93 10.722 2.427 -10.876 1.00 0.87 C ATOM 1148 C TYR B 93 11.285 3.827 -10.612 1.00 0.94 C ATOM 1149 O TYR B 93 12.061 4.352 -11.385 1.00 1.07 O ATOM 1150 CB TYR B 93 9.252 2.541 -11.288 1.00 0.83 C ATOM 1151 CG TYR B 93 9.165 3.186 -12.649 1.00 1.09 C ATOM 1152 CD1 TYR B 93 9.748 2.563 -13.758 1.00 1.74 C ATOM 1153 CD2 TYR B 93 8.501 4.410 -12.804 1.00 1.68 C ATOM 1154 CE1 TYR B 93 9.669 3.161 -15.021 1.00 1.99 C ATOM 1155 CE2 TYR B 93 8.422 5.008 -14.067 1.00 2.03 C ATOM 1156 CZ TYR B 93 9.005 4.385 -15.176 1.00 1.84 C ATOM 1157 OH TYR B 93 8.928 4.974 -16.420 1.00 2.25 O ATOM 0 H TYR B 93 9.955 1.222 -9.288 1.00 0.77 H new ATOM 0 HA TYR B 93 11.288 1.951 -11.677 1.00 0.87 H new ATOM 0 HB2 TYR B 93 8.791 1.554 -11.311 1.00 0.83 H new ATOM 0 HB3 TYR B 93 8.702 3.133 -10.556 1.00 0.83 H new ATOM 0 HD1 TYR B 93 10.260 1.619 -13.639 1.00 1.74 H new ATOM 0 HD2 TYR B 93 8.050 4.892 -11.949 1.00 1.68 H new ATOM 0 HE1 TYR B 93 10.120 2.679 -15.876 1.00 1.99 H new ATOM 0 HE2 TYR B 93 7.910 5.952 -14.186 1.00 2.03 H new ATOM 0 HH TYR B 93 8.433 5.817 -16.353 1.00 2.25 H new ATOM 1167 N GLY B 94 10.895 4.440 -9.523 1.00 0.88 N ATOM 1168 CA GLY B 94 11.400 5.805 -9.209 1.00 0.98 C ATOM 1169 C GLY B 94 12.928 5.802 -9.139 1.00 1.10 C ATOM 1170 O GLY B 94 13.584 6.651 -9.708 1.00 1.24 O ATOM 0 H GLY B 94 10.247 4.051 -8.838 1.00 0.88 H new ATOM 0 HA2 GLY B 94 11.065 6.508 -9.972 1.00 0.98 H new ATOM 0 HA3 GLY B 94 10.986 6.144 -8.259 1.00 0.98 H new ATOM 1174 N ILE B 95 13.505 4.861 -8.439 1.00 1.07 N ATOM 1175 CA ILE B 95 14.998 4.834 -8.341 1.00 1.22 C ATOM 1176 C ILE B 95 15.598 4.756 -9.749 1.00 1.34 C ATOM 1177 O ILE B 95 16.512 5.482 -10.087 1.00 1.50 O ATOM 1178 CB ILE B 95 15.480 3.651 -7.469 1.00 1.20 C ATOM 1179 CG1 ILE B 95 15.799 2.418 -8.329 1.00 1.37 C ATOM 1180 CG2 ILE B 95 14.406 3.283 -6.444 1.00 1.50 C ATOM 1181 CD1 ILE B 95 16.485 1.360 -7.462 1.00 1.81 C ATOM 0 H ILE B 95 13.017 4.119 -7.937 1.00 1.07 H new ATOM 0 HA ILE B 95 15.336 5.751 -7.858 1.00 1.22 H new ATOM 0 HB ILE B 95 16.390 3.965 -6.957 1.00 1.20 H new ATOM 0 HG12 ILE B 95 14.883 2.014 -8.759 1.00 1.37 H new ATOM 0 HG13 ILE B 95 16.445 2.698 -9.161 1.00 1.37 H new ATOM 0 HG21 ILE B 95 14.755 2.449 -5.835 1.00 1.50 H new ATOM 0 HG22 ILE B 95 14.205 4.142 -5.803 1.00 1.50 H new ATOM 0 HG23 ILE B 95 13.491 2.996 -6.963 1.00 1.50 H new ATOM 0 HD11 ILE B 95 16.713 0.484 -8.069 1.00 1.81 H new ATOM 0 HD12 ILE B 95 17.409 1.768 -7.053 1.00 1.81 H new ATOM 0 HD13 ILE B 95 15.822 1.073 -6.645 1.00 1.81 H new ATOM 1193 N ARG B 96 15.090 3.878 -10.573 1.00 1.29 N ATOM 1194 CA ARG B 96 15.633 3.754 -11.957 1.00 1.42 C ATOM 1195 C ARG B 96 15.538 5.106 -12.667 1.00 1.52 C ATOM 1196 O ARG B 96 16.479 5.562 -13.284 1.00 1.68 O ATOM 1197 CB ARG B 96 14.822 2.712 -12.729 1.00 1.36 C ATOM 1198 CG ARG B 96 14.908 1.363 -12.009 1.00 1.61 C ATOM 1199 CD ARG B 96 14.583 0.236 -12.991 1.00 1.77 C ATOM 1200 NE ARG B 96 13.464 0.660 -13.880 1.00 1.70 N ATOM 1201 CZ ARG B 96 13.212 -0.008 -14.972 1.00 2.10 C ATOM 1202 NH1 ARG B 96 13.345 -1.306 -14.987 1.00 2.69 N ATOM 1203 NH2 ARG B 96 12.827 0.621 -16.048 1.00 2.54 N ATOM 0 H ARG B 96 14.324 3.243 -10.348 1.00 1.29 H new ATOM 0 HA ARG B 96 16.677 3.442 -11.912 1.00 1.42 H new ATOM 0 HB2 ARG B 96 13.782 3.029 -12.807 1.00 1.36 H new ATOM 0 HB3 ARG B 96 15.204 2.619 -13.746 1.00 1.36 H new ATOM 0 HG2 ARG B 96 15.907 1.223 -11.596 1.00 1.61 H new ATOM 0 HG3 ARG B 96 14.211 1.341 -11.171 1.00 1.61 H new ATOM 0 HD2 ARG B 96 15.463 -0.007 -13.587 1.00 1.77 H new ATOM 0 HD3 ARG B 96 14.307 -0.667 -12.447 1.00 1.77 H new ATOM 0 HE ARG B 96 12.896 1.471 -13.635 1.00 1.70 H new ATOM 0 HH11 ARG B 96 13.646 -1.798 -14.145 1.00 2.69 H new ATOM 0 HH12 ARG B 96 13.148 -1.829 -15.840 1.00 2.69 H new ATOM 0 HH21 ARG B 96 12.723 1.636 -16.036 1.00 2.54 H new ATOM 0 HH22 ARG B 96 12.630 0.098 -16.901 1.00 2.54 H new ATOM 1217 N ARG B 97 14.408 5.752 -12.586 1.00 1.43 N ATOM 1218 CA ARG B 97 14.261 7.073 -13.260 1.00 1.55 C ATOM 1219 C ARG B 97 15.330 8.040 -12.745 1.00 1.67 C ATOM 1220 O ARG B 97 15.986 8.719 -13.509 1.00 1.83 O ATOM 1221 CB ARG B 97 12.870 7.650 -12.978 1.00 1.45 C ATOM 1222 CG ARG B 97 12.531 8.698 -14.040 1.00 1.62 C ATOM 1223 CD ARG B 97 11.231 9.413 -13.659 1.00 1.72 C ATOM 1224 NE ARG B 97 11.378 10.885 -13.863 1.00 2.17 N ATOM 1225 CZ ARG B 97 12.502 11.483 -13.572 1.00 2.50 C ATOM 1226 NH1 ARG B 97 12.814 11.717 -12.326 1.00 2.89 N ATOM 1227 NH2 ARG B 97 13.314 11.845 -14.526 1.00 3.17 N ATOM 0 H ARG B 97 13.583 5.424 -12.084 1.00 1.43 H new ATOM 0 HA ARG B 97 14.384 6.938 -14.335 1.00 1.55 H new ATOM 0 HB2 ARG B 97 12.125 6.854 -12.986 1.00 1.45 H new ATOM 0 HB3 ARG B 97 12.845 8.100 -11.986 1.00 1.45 H new ATOM 0 HG2 ARG B 97 13.343 9.420 -14.126 1.00 1.62 H new ATOM 0 HG3 ARG B 97 12.424 8.222 -15.015 1.00 1.62 H new ATOM 0 HD2 ARG B 97 10.407 9.034 -14.264 1.00 1.72 H new ATOM 0 HD3 ARG B 97 10.984 9.205 -12.618 1.00 1.72 H new ATOM 0 HE ARG B 97 10.596 11.426 -14.232 1.00 2.17 H new ATOM 0 HH11 ARG B 97 12.180 11.433 -11.579 1.00 2.89 H new ATOM 0 HH12 ARG B 97 13.692 12.184 -12.099 1.00 2.89 H new ATOM 0 HH21 ARG B 97 13.071 11.661 -15.499 1.00 3.17 H new ATOM 0 HH22 ARG B 97 14.192 12.312 -14.299 1.00 3.17 H new ATOM 1241 N LEU B 98 15.511 8.111 -11.453 1.00 1.62 N ATOM 1242 CA LEU B 98 16.535 9.039 -10.895 1.00 1.76 C ATOM 1243 C LEU B 98 17.900 8.711 -11.500 1.00 1.92 C ATOM 1244 O LEU B 98 18.620 9.584 -11.943 1.00 2.09 O ATOM 1245 CB LEU B 98 16.597 8.876 -9.375 1.00 1.69 C ATOM 1246 CG LEU B 98 16.195 10.189 -8.705 1.00 1.72 C ATOM 1247 CD1 LEU B 98 15.677 9.905 -7.295 1.00 1.72 C ATOM 1248 CD2 LEU B 98 17.413 11.112 -8.622 1.00 2.01 C ATOM 0 H LEU B 98 14.995 7.567 -10.762 1.00 1.62 H new ATOM 0 HA LEU B 98 16.267 10.067 -11.138 1.00 1.76 H new ATOM 0 HB2 LEU B 98 15.931 8.074 -9.057 1.00 1.69 H new ATOM 0 HB3 LEU B 98 17.604 8.593 -9.070 1.00 1.69 H new ATOM 0 HG LEU B 98 15.411 10.670 -9.290 1.00 1.72 H new ATOM 0 HD11 LEU B 98 15.390 10.842 -6.817 1.00 1.72 H new ATOM 0 HD12 LEU B 98 14.810 9.246 -7.352 1.00 1.72 H new ATOM 0 HD13 LEU B 98 16.461 9.424 -6.710 1.00 1.72 H new ATOM 0 HD21 LEU B 98 17.127 12.049 -8.144 1.00 2.01 H new ATOM 0 HD22 LEU B 98 18.196 10.630 -8.036 1.00 2.01 H new ATOM 0 HD23 LEU B 98 17.785 11.315 -9.626 1.00 2.01 H new ATOM 1260 N ILE B 99 18.260 7.458 -11.529 1.00 1.89 N ATOM 1261 CA ILE B 99 19.575 7.076 -12.115 1.00 2.07 C ATOM 1262 C ILE B 99 19.516 7.264 -13.631 1.00 2.17 C ATOM 1263 O ILE B 99 20.526 7.290 -14.305 1.00 2.50 O ATOM 1264 CB ILE B 99 19.865 5.609 -11.799 1.00 2.14 C ATOM 1265 CG1 ILE B 99 18.703 4.748 -12.295 1.00 2.13 C ATOM 1266 CG2 ILE B 99 20.024 5.432 -10.288 1.00 2.25 C ATOM 1267 CD1 ILE B 99 19.035 3.269 -12.085 1.00 2.38 C ATOM 0 H ILE B 99 17.701 6.683 -11.173 1.00 1.89 H new ATOM 0 HA ILE B 99 20.363 7.701 -11.694 1.00 2.07 H new ATOM 0 HB ILE B 99 20.786 5.303 -12.296 1.00 2.14 H new ATOM 0 HG12 ILE B 99 17.790 5.006 -11.758 1.00 2.13 H new ATOM 0 HG13 ILE B 99 18.517 4.943 -13.351 1.00 2.13 H new ATOM 0 HG21 ILE B 99 20.231 4.385 -10.064 1.00 2.25 H new ATOM 0 HG22 ILE B 99 20.850 6.049 -9.934 1.00 2.25 H new ATOM 0 HG23 ILE B 99 19.105 5.735 -9.787 1.00 2.25 H new ATOM 0 HD11 ILE B 99 18.206 2.656 -12.439 1.00 2.38 H new ATOM 0 HD12 ILE B 99 19.937 3.016 -12.642 1.00 2.38 H new ATOM 0 HD13 ILE B 99 19.199 3.080 -11.024 1.00 2.38 H new ATOM 1279 N LYS B 100 18.335 7.392 -14.170 1.00 2.25 N ATOM 1280 CA LYS B 100 18.200 7.574 -15.641 1.00 2.60 C ATOM 1281 C LYS B 100 17.615 8.960 -15.930 1.00 2.97 C ATOM 1282 O LYS B 100 17.621 9.833 -15.086 1.00 3.27 O ATOM 1283 CB LYS B 100 17.268 6.497 -16.201 1.00 2.80 C ATOM 1284 CG LYS B 100 17.979 5.738 -17.321 1.00 3.38 C ATOM 1285 CD LYS B 100 19.091 4.875 -16.723 1.00 3.94 C ATOM 1286 CE LYS B 100 19.403 3.714 -17.669 1.00 4.56 C ATOM 1287 NZ LYS B 100 20.728 3.940 -18.313 1.00 5.22 N ATOM 0 H LYS B 100 17.456 7.378 -13.653 1.00 2.25 H new ATOM 0 HA LYS B 100 19.179 7.488 -16.113 1.00 2.60 H new ATOM 0 HB2 LYS B 100 16.975 5.807 -15.409 1.00 2.80 H new ATOM 0 HB3 LYS B 100 16.354 6.954 -16.580 1.00 2.80 H new ATOM 0 HG2 LYS B 100 17.268 5.112 -17.860 1.00 3.38 H new ATOM 0 HG3 LYS B 100 18.397 6.440 -18.043 1.00 3.38 H new ATOM 0 HD2 LYS B 100 19.985 5.477 -16.562 1.00 3.94 H new ATOM 0 HD3 LYS B 100 18.785 4.492 -15.750 1.00 3.94 H new ATOM 0 HE2 LYS B 100 19.410 2.774 -17.118 1.00 4.56 H new ATOM 0 HE3 LYS B 100 18.626 3.632 -18.429 1.00 4.56 H new ATOM 0 HZ1 LYS B 100 20.940 3.151 -18.956 1.00 5.22 H new ATOM 0 HZ2 LYS B 100 20.705 4.829 -18.852 1.00 5.22 H new ATOM 0 HZ3 LYS B 100 21.464 3.998 -17.581 1.00 5.22 H new ATOM 1301 N LYS B 101 17.111 9.168 -17.116 1.00 3.27 N ATOM 1302 CA LYS B 101 16.529 10.497 -17.452 1.00 3.83 C ATOM 1303 C LYS B 101 15.255 10.306 -18.278 1.00 4.00 C ATOM 1304 O LYS B 101 14.740 9.200 -18.286 1.00 4.36 O ATOM 1305 CB LYS B 101 17.548 11.320 -18.252 1.00 4.43 C ATOM 1306 CG LYS B 101 17.700 10.746 -19.666 1.00 5.03 C ATOM 1307 CD LYS B 101 18.630 9.530 -19.631 1.00 5.77 C ATOM 1308 CE LYS B 101 18.076 8.437 -20.546 1.00 6.68 C ATOM 1309 NZ LYS B 101 18.992 8.250 -21.707 1.00 7.38 N ATOM 1310 OXT LYS B 101 14.817 11.267 -18.887 1.00 4.28 O ATOM 0 H LYS B 101 17.077 8.476 -17.865 1.00 3.27 H new ATOM 0 HA LYS B 101 16.284 11.027 -16.532 1.00 3.83 H new ATOM 0 HB2 LYS B 101 17.224 12.359 -18.307 1.00 4.43 H new ATOM 0 HB3 LYS B 101 18.512 11.313 -17.743 1.00 4.43 H new ATOM 0 HG2 LYS B 101 16.725 10.459 -20.059 1.00 5.03 H new ATOM 0 HG3 LYS B 101 18.103 11.505 -20.336 1.00 5.03 H new ATOM 0 HD2 LYS B 101 19.631 9.815 -19.953 1.00 5.77 H new ATOM 0 HD3 LYS B 101 18.718 9.155 -18.611 1.00 5.77 H new ATOM 0 HE2 LYS B 101 17.975 7.502 -19.994 1.00 6.68 H new ATOM 0 HE3 LYS B 101 17.080 8.710 -20.895 1.00 6.68 H new ATOM 0 HZ1 LYS B 101 18.616 7.507 -22.330 1.00 7.38 H new ATOM 0 HZ2 LYS B 101 19.066 9.141 -22.238 1.00 7.38 H new ATOM 0 HZ3 LYS B 101 19.934 7.971 -21.365 1.00 7.38 H new TER 1324 LYS B 101