USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=14 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= 0.586 K(o=0.59,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.369 X(o=-0.37,f=-0.13) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -2.54! C(o=-3.1!,f=-2.5!) USER MOD Single : A 69 SER OG : rot 180:sc= -0.105 USER MOD Single : A 74 THR OG1 : rot -150:sc= -1.56! USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 120:sc= -0.948 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 :FLIP amide:sc= -1.62! C(o=-2.3!,f=-1.6!) USER MOD Single : B 66 HIS : no HD1:sc= -1.96 K(o=-2,f=-3.5!) USER MOD Single : B 67 HIS :FLIP no HD1:sc= -0.27 F(o=-1.1,f=-0.27) USER MOD Single : B 69 SER OG : rot 180:sc= 0.00587 USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 81 MET CE :methyl -129:sc= -0.882 (180deg=-2.51!) USER MOD Single : B 87 THR OG1 : rot 102:sc= -3.55! USER MOD Single : B 92 SER OG : rot 180:sc= -0.131 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 0.482 1.761 21.297 1.00 18.74 N ATOM 2 CA VAL A 62 0.443 2.313 19.915 1.00 18.11 C ATOM 3 C VAL A 62 -0.386 1.390 19.018 1.00 17.30 C ATOM 4 O VAL A 62 0.079 0.914 18.002 1.00 17.26 O ATOM 5 CB VAL A 62 1.868 2.412 19.365 1.00 18.42 C ATOM 6 CG1 VAL A 62 1.829 2.962 17.937 1.00 18.58 C ATOM 7 CG2 VAL A 62 2.690 3.350 20.251 1.00 18.59 C ATOM 0 HA VAL A 62 -0.010 3.304 19.933 1.00 18.11 H new ATOM 0 HB VAL A 62 2.325 1.422 19.359 1.00 18.42 H new ATOM 0 HG11 VAL A 62 2.844 3.032 17.546 1.00 18.58 H new ATOM 0 HG12 VAL A 62 1.243 2.294 17.306 1.00 18.58 H new ATOM 0 HG13 VAL A 62 1.372 3.952 17.941 1.00 18.58 H new ATOM 0 HG21 VAL A 62 3.705 3.422 19.861 1.00 18.59 H new ATOM 0 HG22 VAL A 62 2.232 4.339 20.256 1.00 18.59 H new ATOM 0 HG23 VAL A 62 2.719 2.958 21.268 1.00 18.59 H new ATOM 19 N GLN A 63 -1.611 1.135 19.388 1.00 16.78 N ATOM 20 CA GLN A 63 -2.469 0.243 18.556 1.00 16.11 C ATOM 21 C GLN A 63 -2.511 0.772 17.120 1.00 15.69 C ATOM 22 O GLN A 63 -2.819 1.922 16.881 1.00 15.68 O ATOM 23 CB GLN A 63 -3.886 0.216 19.132 1.00 16.10 C ATOM 24 CG GLN A 63 -4.382 1.649 19.336 1.00 15.49 C ATOM 25 CD GLN A 63 -5.686 1.853 18.562 1.00 15.09 C ATOM 26 OE1 GLN A 63 -6.760 1.651 19.096 1.00 15.39 O ATOM 27 NE2 GLN A 63 -5.640 2.247 17.319 1.00 14.56 N ATOM 0 H GLN A 63 -2.055 1.505 20.229 1.00 16.78 H new ATOM 0 HA GLN A 63 -2.057 -0.766 18.560 1.00 16.11 H new ATOM 0 HB2 GLN A 63 -4.554 -0.319 18.457 1.00 16.10 H new ATOM 0 HB3 GLN A 63 -3.894 -0.321 20.080 1.00 16.10 H new ATOM 0 HG2 GLN A 63 -4.542 1.842 20.397 1.00 15.49 H new ATOM 0 HG3 GLN A 63 -3.629 2.358 18.993 1.00 15.49 H new ATOM 0 HE21 GLN A 63 -4.740 2.417 16.871 1.00 14.56 H new ATOM 0 HE22 GLN A 63 -6.504 2.385 16.796 1.00 14.56 H new ATOM 36 N LEU A 64 -2.202 -0.059 16.163 1.00 15.49 N ATOM 37 CA LEU A 64 -2.225 0.396 14.744 1.00 15.26 C ATOM 38 C LEU A 64 -3.307 -0.372 13.980 1.00 14.77 C ATOM 39 O LEU A 64 -4.187 0.211 13.377 1.00 14.94 O ATOM 40 CB LEU A 64 -0.860 0.131 14.101 1.00 15.58 C ATOM 41 CG LEU A 64 0.028 1.367 14.259 1.00 15.97 C ATOM 42 CD1 LEU A 64 1.432 0.937 14.685 1.00 16.71 C ATOM 43 CD2 LEU A 64 0.107 2.108 12.923 1.00 16.05 C ATOM 0 H LEU A 64 -1.935 -1.033 16.302 1.00 15.49 H new ATOM 0 HA LEU A 64 -2.443 1.463 14.708 1.00 15.26 H new ATOM 0 HB2 LEU A 64 -0.387 -0.732 14.570 1.00 15.58 H new ATOM 0 HB3 LEU A 64 -0.984 -0.108 13.045 1.00 15.58 H new ATOM 0 HG LEU A 64 -0.396 2.025 15.018 1.00 15.97 H new ATOM 0 HD11 LEU A 64 2.064 1.818 14.797 1.00 16.71 H new ATOM 0 HD12 LEU A 64 1.377 0.406 15.635 1.00 16.71 H new ATOM 0 HD13 LEU A 64 1.857 0.280 13.926 1.00 16.71 H new ATOM 0 HD21 LEU A 64 0.739 2.989 13.033 1.00 16.05 H new ATOM 0 HD22 LEU A 64 0.532 1.449 12.166 1.00 16.05 H new ATOM 0 HD23 LEU A 64 -0.893 2.415 12.617 1.00 16.05 H new ATOM 55 N ALA A 65 -3.250 -1.676 14.001 1.00 14.32 N ATOM 56 CA ALA A 65 -4.275 -2.479 13.277 1.00 14.03 C ATOM 57 C ALA A 65 -5.377 -2.900 14.253 1.00 13.34 C ATOM 58 O ALA A 65 -5.334 -3.971 14.825 1.00 13.29 O ATOM 59 CB ALA A 65 -3.618 -3.727 12.683 1.00 14.31 C ATOM 0 H ALA A 65 -2.538 -2.220 14.488 1.00 14.32 H new ATOM 0 HA ALA A 65 -4.708 -1.879 12.477 1.00 14.03 H new ATOM 0 HB1 ALA A 65 -4.367 -4.315 12.153 1.00 14.31 H new ATOM 0 HB2 ALA A 65 -2.833 -3.429 11.988 1.00 14.31 H new ATOM 0 HB3 ALA A 65 -3.186 -4.327 13.484 1.00 14.31 H new ATOM 65 N HIS A 66 -6.365 -2.069 14.447 1.00 12.98 N ATOM 66 CA HIS A 66 -7.464 -2.427 15.386 1.00 12.48 C ATOM 67 C HIS A 66 -8.771 -2.586 14.607 1.00 11.62 C ATOM 68 O HIS A 66 -9.268 -3.680 14.428 1.00 11.76 O ATOM 69 CB HIS A 66 -7.623 -1.321 16.431 1.00 12.81 C ATOM 70 CG HIS A 66 -8.245 -1.892 17.675 1.00 13.36 C ATOM 71 ND1 HIS A 66 -9.022 -1.127 18.531 1.00 13.57 N ATOM 72 CD2 HIS A 66 -8.216 -3.152 18.220 1.00 13.93 C ATOM 73 CE1 HIS A 66 -9.425 -1.926 19.536 1.00 14.23 C ATOM 74 NE2 HIS A 66 -8.962 -3.170 19.396 1.00 14.47 N ATOM 0 H HIS A 66 -6.458 -1.159 13.996 1.00 12.98 H new ATOM 0 HA HIS A 66 -7.223 -3.366 15.885 1.00 12.48 H new ATOM 0 HB2 HIS A 66 -6.652 -0.884 16.665 1.00 12.81 H new ATOM 0 HB3 HIS A 66 -8.246 -0.519 16.035 1.00 12.81 H new ATOM 0 HD2 HIS A 66 -7.694 -4.000 17.801 1.00 13.93 H new ATOM 0 HE1 HIS A 66 -10.047 -1.600 20.356 1.00 14.23 H new ATOM 0 HE2 HIS A 66 -9.120 -3.964 20.017 1.00 14.47 H new ATOM 82 N HIS A 67 -9.334 -1.504 14.142 1.00 10.90 N ATOM 83 CA HIS A 67 -10.609 -1.599 13.376 1.00 10.21 C ATOM 84 C HIS A 67 -11.196 -0.200 13.181 1.00 9.43 C ATOM 85 O HIS A 67 -11.296 0.578 14.110 1.00 9.32 O ATOM 86 CB HIS A 67 -11.603 -2.468 14.149 1.00 10.37 C ATOM 87 CG HIS A 67 -11.707 -3.818 13.493 1.00 10.53 C ATOM 88 ND1 HIS A 67 -11.474 -5.087 13.963 1.00 10.58 N flip ATOM 89 CD2 HIS A 67 -12.096 -3.969 12.172 1.00 10.88 C flip ATOM 90 CE1 HIS A 67 -11.714 -6.012 12.950 1.00 10.97 C flip ATOM 91 NE2 HIS A 67 -12.086 -5.286 11.894 1.00 11.15 N flip ATOM 0 H HIS A 67 -8.967 -0.560 14.259 1.00 10.90 H new ATOM 0 HA HIS A 67 -10.415 -2.047 12.402 1.00 10.21 H new ATOM 0 HB2 HIS A 67 -11.277 -2.579 15.183 1.00 10.37 H new ATOM 0 HB3 HIS A 67 -12.581 -1.987 14.172 1.00 10.37 H new ATOM 0 HD2 HIS A 67 -12.359 -3.175 11.489 1.00 10.88 H new ATOM 0 HE1 HIS A 67 -11.619 -7.086 13.007 1.00 10.97 H new ATOM 0 HE2 HIS A 67 -12.333 -5.681 10.987 1.00 11.15 H new ATOM 99 N PHE A 68 -11.586 0.125 11.979 1.00 9.11 N ATOM 100 CA PHE A 68 -12.168 1.474 11.720 1.00 8.55 C ATOM 101 C PHE A 68 -12.876 1.464 10.364 1.00 7.46 C ATOM 102 O PHE A 68 -12.829 2.422 9.618 1.00 7.39 O ATOM 103 CB PHE A 68 -11.059 2.537 11.712 1.00 8.98 C ATOM 104 CG PHE A 68 -9.713 1.889 11.481 1.00 9.76 C ATOM 105 CD1 PHE A 68 -9.357 1.451 10.200 1.00 10.19 C ATOM 106 CD2 PHE A 68 -8.823 1.726 12.549 1.00 10.29 C ATOM 107 CE1 PHE A 68 -8.109 0.851 9.986 1.00 11.10 C ATOM 108 CE2 PHE A 68 -7.575 1.126 12.337 1.00 11.19 C ATOM 109 CZ PHE A 68 -7.219 0.688 11.055 1.00 11.57 C ATOM 0 H PHE A 68 -11.527 -0.485 11.164 1.00 9.11 H new ATOM 0 HA PHE A 68 -12.881 1.714 12.509 1.00 8.55 H new ATOM 0 HB2 PHE A 68 -11.255 3.271 10.931 1.00 8.98 H new ATOM 0 HB3 PHE A 68 -11.054 3.074 12.661 1.00 8.98 H new ATOM 0 HD1 PHE A 68 -10.044 1.576 9.376 1.00 10.19 H new ATOM 0 HD2 PHE A 68 -9.099 2.063 13.537 1.00 10.29 H new ATOM 0 HE1 PHE A 68 -7.834 0.514 8.997 1.00 11.10 H new ATOM 0 HE2 PHE A 68 -6.888 1.001 13.161 1.00 11.19 H new ATOM 0 HZ PHE A 68 -6.258 0.224 10.891 1.00 11.57 H new ATOM 119 N SER A 69 -13.537 0.385 10.040 1.00 6.86 N ATOM 120 CA SER A 69 -14.252 0.304 8.735 1.00 6.01 C ATOM 121 C SER A 69 -15.530 -0.520 8.912 1.00 5.07 C ATOM 122 O SER A 69 -16.102 -0.570 9.983 1.00 5.28 O ATOM 123 CB SER A 69 -13.349 -0.368 7.701 1.00 6.54 C ATOM 124 OG SER A 69 -12.042 0.181 7.791 1.00 7.08 O ATOM 0 H SER A 69 -13.612 -0.447 10.626 1.00 6.86 H new ATOM 0 HA SER A 69 -14.508 1.307 8.393 1.00 6.01 H new ATOM 0 HB2 SER A 69 -13.317 -1.444 7.874 1.00 6.54 H new ATOM 0 HB3 SER A 69 -13.750 -0.218 6.699 1.00 6.54 H new ATOM 0 HG SER A 69 -11.460 -0.249 7.130 1.00 7.08 H new ATOM 130 N GLU A 70 -15.984 -1.171 7.874 1.00 4.41 N ATOM 131 CA GLU A 70 -17.223 -1.992 7.999 1.00 3.84 C ATOM 132 C GLU A 70 -17.643 -2.523 6.622 1.00 2.84 C ATOM 133 O GLU A 70 -17.753 -3.718 6.435 1.00 3.00 O ATOM 134 CB GLU A 70 -18.347 -1.139 8.589 1.00 4.55 C ATOM 135 CG GLU A 70 -18.528 -1.488 10.068 1.00 5.41 C ATOM 136 CD GLU A 70 -19.717 -2.437 10.226 1.00 6.00 C ATOM 137 OE1 GLU A 70 -19.504 -3.637 10.152 1.00 6.28 O ATOM 138 OE2 GLU A 70 -20.818 -1.950 10.419 1.00 6.49 O ATOM 0 H GLU A 70 -15.553 -1.170 6.950 1.00 4.41 H new ATOM 0 HA GLU A 70 -17.026 -2.837 8.659 1.00 3.84 H new ATOM 0 HB2 GLU A 70 -18.110 -0.081 8.480 1.00 4.55 H new ATOM 0 HB3 GLU A 70 -19.276 -1.316 8.046 1.00 4.55 H new ATOM 0 HG2 GLU A 70 -17.623 -1.955 10.456 1.00 5.41 H new ATOM 0 HG3 GLU A 70 -18.693 -0.581 10.649 1.00 5.41 H new ATOM 145 N PRO A 71 -17.868 -1.622 5.697 1.00 2.18 N ATOM 146 CA PRO A 71 -18.279 -1.994 4.330 1.00 1.51 C ATOM 147 C PRO A 71 -17.224 -2.902 3.688 1.00 1.23 C ATOM 148 O PRO A 71 -16.058 -2.842 4.021 1.00 1.13 O ATOM 149 CB PRO A 71 -18.384 -0.662 3.575 1.00 1.87 C ATOM 150 CG PRO A 71 -18.056 0.475 4.577 1.00 2.49 C ATOM 151 CD PRO A 71 -17.729 -0.173 5.932 1.00 2.65 C ATOM 0 HA PRO A 71 -19.219 -2.546 4.313 1.00 1.51 H new ATOM 0 HB2 PRO A 71 -17.690 -0.643 2.735 1.00 1.87 H new ATOM 0 HB3 PRO A 71 -19.385 -0.533 3.165 1.00 1.87 H new ATOM 0 HG2 PRO A 71 -17.211 1.065 4.222 1.00 2.49 H new ATOM 0 HG3 PRO A 71 -18.902 1.155 4.673 1.00 2.49 H new ATOM 0 HD2 PRO A 71 -16.720 0.080 6.259 1.00 2.65 H new ATOM 0 HD3 PRO A 71 -18.412 0.169 6.710 1.00 2.65 H new ATOM 159 N GLU A 72 -17.625 -3.746 2.776 1.00 1.29 N ATOM 160 CA GLU A 72 -16.645 -4.661 2.121 1.00 1.13 C ATOM 161 C GLU A 72 -15.646 -3.851 1.291 1.00 1.00 C ATOM 162 O GLU A 72 -14.604 -3.454 1.774 1.00 0.97 O ATOM 163 CB GLU A 72 -17.390 -5.636 1.206 1.00 1.32 C ATOM 164 CG GLU A 72 -18.097 -6.697 2.052 1.00 1.94 C ATOM 165 CD GLU A 72 -18.406 -7.919 1.183 1.00 2.47 C ATOM 166 OE1 GLU A 72 -17.715 -8.108 0.196 1.00 3.01 O ATOM 167 OE2 GLU A 72 -19.328 -8.644 1.520 1.00 2.89 O ATOM 0 H GLU A 72 -18.589 -3.842 2.456 1.00 1.29 H new ATOM 0 HA GLU A 72 -16.107 -5.215 2.890 1.00 1.13 H new ATOM 0 HB2 GLU A 72 -18.117 -5.097 0.599 1.00 1.32 H new ATOM 0 HB3 GLU A 72 -16.691 -6.112 0.518 1.00 1.32 H new ATOM 0 HG2 GLU A 72 -17.467 -6.986 2.894 1.00 1.94 H new ATOM 0 HG3 GLU A 72 -19.019 -6.291 2.468 1.00 1.94 H new ATOM 174 N ILE A 73 -15.954 -3.613 0.041 1.00 0.99 N ATOM 175 CA ILE A 73 -15.031 -2.841 -0.836 1.00 0.91 C ATOM 176 C ILE A 73 -14.394 -1.692 -0.047 1.00 0.80 C ATOM 177 O ILE A 73 -13.229 -1.387 -0.205 1.00 0.74 O ATOM 178 CB ILE A 73 -15.822 -2.287 -2.026 1.00 1.03 C ATOM 179 CG1 ILE A 73 -14.851 -1.932 -3.147 1.00 1.05 C ATOM 180 CG2 ILE A 73 -16.601 -1.036 -1.605 1.00 1.28 C ATOM 181 CD1 ILE A 73 -15.091 -2.862 -4.337 1.00 1.48 C ATOM 0 H ILE A 73 -16.814 -3.925 -0.410 1.00 0.99 H new ATOM 0 HA ILE A 73 -14.237 -3.495 -1.197 1.00 0.91 H new ATOM 0 HB ILE A 73 -16.529 -3.041 -2.373 1.00 1.03 H new ATOM 0 HG12 ILE A 73 -14.990 -0.894 -3.448 1.00 1.05 H new ATOM 0 HG13 ILE A 73 -13.823 -2.028 -2.797 1.00 1.05 H new ATOM 0 HG21 ILE A 73 -17.159 -0.651 -2.458 1.00 1.28 H new ATOM 0 HG22 ILE A 73 -17.294 -1.292 -0.803 1.00 1.28 H new ATOM 0 HG23 ILE A 73 -15.904 -0.275 -1.254 1.00 1.28 H new ATOM 0 HD11 ILE A 73 -14.398 -2.611 -5.140 1.00 1.48 H new ATOM 0 HD12 ILE A 73 -14.931 -3.895 -4.029 1.00 1.48 H new ATOM 0 HD13 ILE A 73 -16.115 -2.743 -4.691 1.00 1.48 H new ATOM 193 N THR A 74 -15.151 -1.059 0.804 1.00 0.81 N ATOM 194 CA THR A 74 -14.594 0.063 1.610 1.00 0.76 C ATOM 195 C THR A 74 -13.446 -0.454 2.479 1.00 0.68 C ATOM 196 O THR A 74 -12.395 0.150 2.567 1.00 0.62 O ATOM 197 CB THR A 74 -15.694 0.643 2.501 1.00 0.86 C ATOM 198 OG1 THR A 74 -16.830 0.952 1.706 1.00 1.35 O ATOM 199 CG2 THR A 74 -15.186 1.915 3.182 1.00 1.19 C ATOM 0 H THR A 74 -16.134 -1.270 0.977 1.00 0.81 H new ATOM 0 HA THR A 74 -14.220 0.841 0.944 1.00 0.76 H new ATOM 0 HB THR A 74 -15.968 -0.088 3.261 1.00 0.86 H new ATOM 0 HG1 THR A 74 -17.312 1.707 2.103 1.00 1.35 H new ATOM 0 HG21 THR A 74 -15.971 2.327 3.816 1.00 1.19 H new ATOM 0 HG22 THR A 74 -14.314 1.678 3.792 1.00 1.19 H new ATOM 0 HG23 THR A 74 -14.910 2.648 2.424 1.00 1.19 H new ATOM 207 N LEU A 75 -13.641 -1.561 3.139 1.00 0.72 N ATOM 208 CA LEU A 75 -12.556 -2.096 4.009 1.00 0.69 C ATOM 209 C LEU A 75 -11.457 -2.733 3.147 1.00 0.58 C ATOM 210 O LEU A 75 -10.288 -2.487 3.359 1.00 0.50 O ATOM 211 CB LEU A 75 -13.142 -3.102 5.035 1.00 0.82 C ATOM 212 CG LEU A 75 -12.383 -4.442 5.034 1.00 0.88 C ATOM 213 CD1 LEU A 75 -12.694 -5.197 6.327 1.00 0.87 C ATOM 214 CD2 LEU A 75 -12.843 -5.299 3.850 1.00 1.02 C ATOM 0 H LEU A 75 -14.497 -2.115 3.115 1.00 0.72 H new ATOM 0 HA LEU A 75 -12.104 -1.279 4.571 1.00 0.69 H new ATOM 0 HB2 LEU A 75 -13.103 -2.665 6.033 1.00 0.82 H new ATOM 0 HB3 LEU A 75 -14.193 -3.281 4.806 1.00 0.82 H new ATOM 0 HG LEU A 75 -11.314 -4.246 4.955 1.00 0.88 H new ATOM 0 HD11 LEU A 75 -12.159 -6.147 6.331 1.00 0.87 H new ATOM 0 HD12 LEU A 75 -12.379 -4.599 7.182 1.00 0.87 H new ATOM 0 HD13 LEU A 75 -13.766 -5.384 6.390 1.00 0.87 H new ATOM 0 HD21 LEU A 75 -12.303 -6.246 3.854 1.00 1.02 H new ATOM 0 HD22 LEU A 75 -13.913 -5.491 3.934 1.00 1.02 H new ATOM 0 HD23 LEU A 75 -12.641 -4.771 2.918 1.00 1.02 H new ATOM 226 N ILE A 76 -11.797 -3.552 2.188 1.00 0.62 N ATOM 227 CA ILE A 76 -10.721 -4.172 1.364 1.00 0.57 C ATOM 228 C ILE A 76 -9.880 -3.068 0.718 1.00 0.45 C ATOM 229 O ILE A 76 -8.666 -3.070 0.800 1.00 0.38 O ATOM 230 CB ILE A 76 -11.346 -5.051 0.279 1.00 0.69 C ATOM 231 CG1 ILE A 76 -12.325 -6.033 0.925 1.00 0.91 C ATOM 232 CG2 ILE A 76 -10.243 -5.830 -0.439 1.00 0.76 C ATOM 233 CD1 ILE A 76 -12.965 -6.905 -0.155 1.00 1.10 C ATOM 0 H ILE A 76 -12.752 -3.814 1.943 1.00 0.62 H new ATOM 0 HA ILE A 76 -10.084 -4.789 1.998 1.00 0.57 H new ATOM 0 HB ILE A 76 -11.877 -4.426 -0.439 1.00 0.69 H new ATOM 0 HG12 ILE A 76 -11.803 -6.658 1.650 1.00 0.91 H new ATOM 0 HG13 ILE A 76 -13.096 -5.488 1.470 1.00 0.91 H new ATOM 0 HG21 ILE A 76 -10.685 -6.457 -1.213 1.00 0.76 H new ATOM 0 HG22 ILE A 76 -9.542 -5.131 -0.895 1.00 0.76 H new ATOM 0 HG23 ILE A 76 -9.715 -6.457 0.279 1.00 0.76 H new ATOM 0 HD11 ILE A 76 -13.662 -7.604 0.307 1.00 1.10 H new ATOM 0 HD12 ILE A 76 -13.501 -6.273 -0.863 1.00 1.10 H new ATOM 0 HD13 ILE A 76 -12.189 -7.461 -0.681 1.00 1.10 H new ATOM 245 N ILE A 77 -10.517 -2.099 0.113 1.00 0.44 N ATOM 246 CA ILE A 77 -9.747 -0.976 -0.491 1.00 0.36 C ATOM 247 C ILE A 77 -8.918 -0.321 0.611 1.00 0.28 C ATOM 248 O ILE A 77 -7.743 -0.051 0.454 1.00 0.25 O ATOM 249 CB ILE A 77 -10.703 0.041 -1.129 1.00 0.39 C ATOM 250 CG1 ILE A 77 -9.913 0.974 -2.049 1.00 1.21 C ATOM 251 CG2 ILE A 77 -11.393 0.867 -0.047 1.00 1.18 C ATOM 252 CD1 ILE A 77 -10.305 0.708 -3.503 1.00 1.58 C ATOM 0 H ILE A 77 -11.530 -2.038 0.012 1.00 0.44 H new ATOM 0 HA ILE A 77 -9.089 -1.349 -1.276 1.00 0.36 H new ATOM 0 HB ILE A 77 -11.458 -0.495 -1.704 1.00 0.39 H new ATOM 0 HG12 ILE A 77 -10.115 2.014 -1.791 1.00 1.21 H new ATOM 0 HG13 ILE A 77 -8.843 0.815 -1.915 1.00 1.21 H new ATOM 0 HG21 ILE A 77 -12.068 1.585 -0.512 1.00 1.18 H new ATOM 0 HG22 ILE A 77 -11.961 0.207 0.608 1.00 1.18 H new ATOM 0 HG23 ILE A 77 -10.643 1.401 0.537 1.00 1.18 H new ATOM 0 HD11 ILE A 77 -9.742 1.372 -4.159 1.00 1.58 H new ATOM 0 HD12 ILE A 77 -10.080 -0.328 -3.757 1.00 1.58 H new ATOM 0 HD13 ILE A 77 -11.372 0.890 -3.631 1.00 1.58 H new ATOM 264 N PHE A 78 -9.538 -0.062 1.732 1.00 0.31 N ATOM 265 CA PHE A 78 -8.820 0.582 2.869 1.00 0.32 C ATOM 266 C PHE A 78 -7.604 -0.259 3.260 1.00 0.30 C ATOM 267 O PHE A 78 -6.522 0.257 3.448 1.00 0.30 O ATOM 268 CB PHE A 78 -9.754 0.698 4.078 1.00 0.41 C ATOM 269 CG PHE A 78 -10.172 2.136 4.260 1.00 0.80 C ATOM 270 CD1 PHE A 78 -10.588 2.892 3.157 1.00 1.66 C ATOM 271 CD2 PHE A 78 -10.147 2.714 5.534 1.00 1.52 C ATOM 272 CE1 PHE A 78 -10.977 4.226 3.329 1.00 2.09 C ATOM 273 CE2 PHE A 78 -10.535 4.048 5.706 1.00 1.97 C ATOM 274 CZ PHE A 78 -10.950 4.804 4.604 1.00 1.95 C ATOM 0 H PHE A 78 -10.520 -0.271 1.909 1.00 0.31 H new ATOM 0 HA PHE A 78 -8.495 1.575 2.560 1.00 0.32 H new ATOM 0 HB2 PHE A 78 -10.632 0.069 3.933 1.00 0.41 H new ATOM 0 HB3 PHE A 78 -9.250 0.339 4.975 1.00 0.41 H new ATOM 0 HD1 PHE A 78 -10.609 2.446 2.174 1.00 1.66 H new ATOM 0 HD2 PHE A 78 -9.828 2.131 6.385 1.00 1.52 H new ATOM 0 HE1 PHE A 78 -11.298 4.809 2.478 1.00 2.09 H new ATOM 0 HE2 PHE A 78 -10.514 4.494 6.689 1.00 1.97 H new ATOM 0 HZ PHE A 78 -11.249 5.833 4.737 1.00 1.95 H new ATOM 284 N GLY A 79 -7.767 -1.548 3.395 1.00 0.31 N ATOM 285 CA GLY A 79 -6.608 -2.396 3.786 1.00 0.32 C ATOM 286 C GLY A 79 -5.478 -2.201 2.777 1.00 0.26 C ATOM 287 O GLY A 79 -4.340 -1.986 3.145 1.00 0.26 O ATOM 0 H GLY A 79 -8.646 -2.046 3.252 1.00 0.31 H new ATOM 0 HA2 GLY A 79 -6.268 -2.129 4.787 1.00 0.32 H new ATOM 0 HA3 GLY A 79 -6.904 -3.444 3.820 1.00 0.32 H new ATOM 291 N VAL A 80 -5.776 -2.254 1.506 1.00 0.23 N ATOM 292 CA VAL A 80 -4.700 -2.045 0.497 1.00 0.22 C ATOM 293 C VAL A 80 -4.056 -0.677 0.747 1.00 0.21 C ATOM 294 O VAL A 80 -2.846 -0.544 0.808 1.00 0.22 O ATOM 295 CB VAL A 80 -5.302 -2.089 -0.910 1.00 0.24 C ATOM 296 CG1 VAL A 80 -4.181 -2.003 -1.947 1.00 0.28 C ATOM 297 CG2 VAL A 80 -6.068 -3.406 -1.098 1.00 0.28 C ATOM 0 H VAL A 80 -6.706 -2.431 1.127 1.00 0.23 H new ATOM 0 HA VAL A 80 -3.947 -2.829 0.582 1.00 0.22 H new ATOM 0 HB VAL A 80 -5.984 -1.249 -1.039 1.00 0.24 H new ATOM 0 HG11 VAL A 80 -4.609 -2.034 -2.949 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -3.634 -1.069 -1.815 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -3.500 -2.844 -1.817 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -6.497 -3.438 -2.100 1.00 0.28 H new ATOM 0 HG22 VAL A 80 -5.385 -4.246 -0.969 1.00 0.28 H new ATOM 0 HG23 VAL A 80 -6.867 -3.471 -0.359 1.00 0.28 H new ATOM 307 N MET A 81 -4.864 0.335 0.917 1.00 0.22 N ATOM 308 CA MET A 81 -4.322 1.697 1.191 1.00 0.25 C ATOM 309 C MET A 81 -3.452 1.652 2.448 1.00 0.27 C ATOM 310 O MET A 81 -2.356 2.177 2.482 1.00 0.28 O ATOM 311 CB MET A 81 -5.481 2.674 1.407 1.00 0.29 C ATOM 312 CG MET A 81 -6.402 2.652 0.185 1.00 0.36 C ATOM 313 SD MET A 81 -6.186 4.180 -0.759 1.00 1.07 S ATOM 314 CE MET A 81 -7.368 5.189 0.168 1.00 1.70 C ATOM 0 H MET A 81 -5.882 0.276 0.878 1.00 0.22 H new ATOM 0 HA MET A 81 -3.722 2.028 0.343 1.00 0.25 H new ATOM 0 HB2 MET A 81 -6.040 2.400 2.302 1.00 0.29 H new ATOM 0 HB3 MET A 81 -5.096 3.681 1.568 1.00 0.29 H new ATOM 0 HG2 MET A 81 -6.173 1.790 -0.441 1.00 0.36 H new ATOM 0 HG3 MET A 81 -7.440 2.550 0.500 1.00 0.36 H new ATOM 0 HE1 MET A 81 -7.397 6.194 -0.253 1.00 1.70 H new ATOM 0 HE2 MET A 81 -8.359 4.740 0.103 1.00 1.70 H new ATOM 0 HE3 MET A 81 -7.061 5.242 1.213 1.00 1.70 H new ATOM 324 N ALA A 82 -3.945 1.031 3.485 1.00 0.28 N ATOM 325 CA ALA A 82 -3.171 0.948 4.755 1.00 0.32 C ATOM 326 C ALA A 82 -1.810 0.298 4.490 1.00 0.30 C ATOM 327 O ALA A 82 -0.793 0.783 4.943 1.00 0.30 O ATOM 328 CB ALA A 82 -3.959 0.143 5.800 1.00 0.37 C ATOM 0 H ALA A 82 -4.857 0.575 3.506 1.00 0.28 H new ATOM 0 HA ALA A 82 -3.009 1.953 5.144 1.00 0.32 H new ATOM 0 HB1 ALA A 82 -3.385 0.088 6.725 1.00 0.37 H new ATOM 0 HB2 ALA A 82 -4.913 0.634 5.993 1.00 0.37 H new ATOM 0 HB3 ALA A 82 -4.139 -0.864 5.424 1.00 0.37 H new ATOM 334 N GLY A 83 -1.766 -0.793 3.765 1.00 0.28 N ATOM 335 CA GLY A 83 -0.450 -1.433 3.503 1.00 0.27 C ATOM 336 C GLY A 83 0.470 -0.412 2.838 1.00 0.23 C ATOM 337 O GLY A 83 1.604 -0.235 3.235 1.00 0.23 O ATOM 0 H GLY A 83 -2.574 -1.259 3.351 1.00 0.28 H new ATOM 0 HA2 GLY A 83 -0.010 -1.787 4.435 1.00 0.27 H new ATOM 0 HA3 GLY A 83 -0.575 -2.304 2.859 1.00 0.27 H new ATOM 341 N VAL A 84 -0.012 0.279 1.838 1.00 0.21 N ATOM 342 CA VAL A 84 0.846 1.300 1.174 1.00 0.19 C ATOM 343 C VAL A 84 1.317 2.319 2.219 1.00 0.20 C ATOM 344 O VAL A 84 2.484 2.654 2.294 1.00 0.19 O ATOM 345 CB VAL A 84 0.039 2.019 0.092 1.00 0.22 C ATOM 346 CG1 VAL A 84 0.928 3.047 -0.610 1.00 0.28 C ATOM 347 CG2 VAL A 84 -0.464 0.998 -0.931 1.00 0.27 C ATOM 0 H VAL A 84 -0.953 0.181 1.457 1.00 0.21 H new ATOM 0 HA VAL A 84 1.709 0.813 0.719 1.00 0.19 H new ATOM 0 HB VAL A 84 -0.811 2.526 0.549 1.00 0.22 H new ATOM 0 HG11 VAL A 84 0.353 3.559 -1.381 1.00 0.28 H new ATOM 0 HG12 VAL A 84 1.288 3.774 0.118 1.00 0.28 H new ATOM 0 HG13 VAL A 84 1.778 2.541 -1.068 1.00 0.28 H new ATOM 0 HG21 VAL A 84 -1.039 1.509 -1.703 1.00 0.27 H new ATOM 0 HG22 VAL A 84 0.386 0.492 -1.388 1.00 0.27 H new ATOM 0 HG23 VAL A 84 -1.098 0.265 -0.432 1.00 0.27 H new ATOM 357 N ILE A 85 0.415 2.807 3.030 1.00 0.23 N ATOM 358 CA ILE A 85 0.800 3.798 4.074 1.00 0.27 C ATOM 359 C ILE A 85 1.885 3.207 4.978 1.00 0.27 C ATOM 360 O ILE A 85 2.876 3.845 5.272 1.00 0.28 O ATOM 361 CB ILE A 85 -0.425 4.151 4.920 1.00 0.33 C ATOM 362 CG1 ILE A 85 -1.447 4.890 4.054 1.00 0.67 C ATOM 363 CG2 ILE A 85 0.001 5.048 6.084 1.00 0.75 C ATOM 364 CD1 ILE A 85 -2.862 4.488 4.477 1.00 1.20 C ATOM 0 H ILE A 85 -0.575 2.560 3.013 1.00 0.23 H new ATOM 0 HA ILE A 85 1.183 4.696 3.589 1.00 0.27 H new ATOM 0 HB ILE A 85 -0.873 3.237 5.310 1.00 0.33 H new ATOM 0 HG12 ILE A 85 -1.317 5.967 4.159 1.00 0.67 H new ATOM 0 HG13 ILE A 85 -1.289 4.651 3.002 1.00 0.67 H new ATOM 0 HG21 ILE A 85 -0.871 5.300 6.687 1.00 0.75 H new ATOM 0 HG22 ILE A 85 0.729 4.522 6.701 1.00 0.75 H new ATOM 0 HG23 ILE A 85 0.449 5.962 5.694 1.00 0.75 H new ATOM 0 HD11 ILE A 85 -3.590 5.015 3.860 1.00 1.20 H new ATOM 0 HD12 ILE A 85 -2.988 3.413 4.349 1.00 1.20 H new ATOM 0 HD13 ILE A 85 -3.017 4.750 5.524 1.00 1.20 H new ATOM 376 N GLY A 86 1.703 1.994 5.431 1.00 0.29 N ATOM 377 CA GLY A 86 2.720 1.373 6.324 1.00 0.33 C ATOM 378 C GLY A 86 4.082 1.364 5.628 1.00 0.30 C ATOM 379 O GLY A 86 5.083 1.735 6.206 1.00 0.33 O ATOM 0 H GLY A 86 0.895 1.409 5.220 1.00 0.29 H new ATOM 0 HA2 GLY A 86 2.783 1.928 7.260 1.00 0.33 H new ATOM 0 HA3 GLY A 86 2.423 0.355 6.576 1.00 0.33 H new ATOM 383 N THR A 87 4.130 0.949 4.392 1.00 0.25 N ATOM 384 CA THR A 87 5.435 0.927 3.674 1.00 0.25 C ATOM 385 C THR A 87 6.037 2.334 3.685 1.00 0.26 C ATOM 386 O THR A 87 7.200 2.520 3.987 1.00 0.32 O ATOM 387 CB THR A 87 5.216 0.475 2.229 1.00 0.24 C ATOM 388 OG1 THR A 87 4.806 -0.886 2.216 1.00 0.34 O ATOM 389 CG2 THR A 87 6.519 0.623 1.442 1.00 0.31 C ATOM 0 H THR A 87 3.328 0.626 3.851 1.00 0.25 H new ATOM 0 HA THR A 87 6.115 0.233 4.169 1.00 0.25 H new ATOM 0 HB THR A 87 4.444 1.092 1.769 1.00 0.24 H new ATOM 0 HG1 THR A 87 3.923 -0.958 1.797 1.00 0.34 H new ATOM 0 HG21 THR A 87 6.361 0.301 0.413 1.00 0.31 H new ATOM 0 HG22 THR A 87 6.833 1.667 1.451 1.00 0.31 H new ATOM 0 HG23 THR A 87 7.293 0.007 1.900 1.00 0.31 H new ATOM 397 N ILE A 88 5.252 3.326 3.364 1.00 0.24 N ATOM 398 CA ILE A 88 5.775 4.720 3.361 1.00 0.33 C ATOM 399 C ILE A 88 6.338 5.059 4.745 1.00 0.39 C ATOM 400 O ILE A 88 7.422 5.592 4.872 1.00 0.47 O ATOM 401 CB ILE A 88 4.639 5.686 3.022 1.00 0.37 C ATOM 402 CG1 ILE A 88 4.082 5.346 1.637 1.00 0.39 C ATOM 403 CG2 ILE A 88 5.170 7.121 3.019 1.00 0.47 C ATOM 404 CD1 ILE A 88 2.988 6.347 1.264 1.00 0.49 C ATOM 0 H ILE A 88 4.270 3.230 3.104 1.00 0.24 H new ATOM 0 HA ILE A 88 6.566 4.811 2.617 1.00 0.33 H new ATOM 0 HB ILE A 88 3.849 5.594 3.767 1.00 0.37 H new ATOM 0 HG12 ILE A 88 4.881 5.372 0.896 1.00 0.39 H new ATOM 0 HG13 ILE A 88 3.679 4.333 1.635 1.00 0.39 H new ATOM 0 HG21 ILE A 88 4.359 7.808 2.777 1.00 0.47 H new ATOM 0 HG22 ILE A 88 5.570 7.363 4.004 1.00 0.47 H new ATOM 0 HG23 ILE A 88 5.960 7.215 2.274 1.00 0.47 H new ATOM 0 HD11 ILE A 88 2.593 6.103 0.278 1.00 0.49 H new ATOM 0 HD12 ILE A 88 2.185 6.299 1.999 1.00 0.49 H new ATOM 0 HD13 ILE A 88 3.406 7.354 1.249 1.00 0.49 H new ATOM 416 N LEU A 89 5.605 4.754 5.782 1.00 0.39 N ATOM 417 CA LEU A 89 6.093 5.058 7.156 1.00 0.49 C ATOM 418 C LEU A 89 7.450 4.376 7.377 1.00 0.53 C ATOM 419 O LEU A 89 8.385 4.979 7.864 1.00 0.62 O ATOM 420 CB LEU A 89 5.040 4.571 8.178 1.00 0.53 C ATOM 421 CG LEU A 89 5.657 3.630 9.221 1.00 0.59 C ATOM 422 CD1 LEU A 89 6.613 4.417 10.119 1.00 0.68 C ATOM 423 CD2 LEU A 89 4.547 3.018 10.077 1.00 0.65 C ATOM 0 H LEU A 89 4.689 4.307 5.736 1.00 0.39 H new ATOM 0 HA LEU A 89 6.232 6.131 7.287 1.00 0.49 H new ATOM 0 HB2 LEU A 89 4.595 5.430 8.680 1.00 0.53 H new ATOM 0 HB3 LEU A 89 4.235 4.056 7.654 1.00 0.53 H new ATOM 0 HG LEU A 89 6.205 2.837 8.712 1.00 0.59 H new ATOM 0 HD11 LEU A 89 7.051 3.748 10.860 1.00 0.68 H new ATOM 0 HD12 LEU A 89 7.406 4.854 9.512 1.00 0.68 H new ATOM 0 HD13 LEU A 89 6.065 5.211 10.627 1.00 0.68 H new ATOM 0 HD21 LEU A 89 4.986 2.350 10.818 1.00 0.65 H new ATOM 0 HD22 LEU A 89 3.999 3.812 10.584 1.00 0.65 H new ATOM 0 HD23 LEU A 89 3.864 2.456 9.440 1.00 0.65 H new ATOM 435 N LEU A 90 7.564 3.124 7.026 1.00 0.49 N ATOM 436 CA LEU A 90 8.860 2.414 7.225 1.00 0.57 C ATOM 437 C LEU A 90 9.969 3.170 6.493 1.00 0.60 C ATOM 438 O LEU A 90 11.027 3.418 7.037 1.00 0.71 O ATOM 439 CB LEU A 90 8.755 0.993 6.665 1.00 0.56 C ATOM 440 CG LEU A 90 7.708 0.208 7.458 1.00 1.24 C ATOM 441 CD1 LEU A 90 6.995 -0.777 6.530 1.00 1.76 C ATOM 442 CD2 LEU A 90 8.396 -0.563 8.586 1.00 1.92 C ATOM 0 H LEU A 90 6.819 2.564 6.612 1.00 0.49 H new ATOM 0 HA LEU A 90 9.091 2.368 8.289 1.00 0.57 H new ATOM 0 HB2 LEU A 90 8.479 1.026 5.611 1.00 0.56 H new ATOM 0 HB3 LEU A 90 9.722 0.494 6.726 1.00 0.56 H new ATOM 0 HG LEU A 90 6.980 0.900 7.881 1.00 1.24 H new ATOM 0 HD11 LEU A 90 6.249 -1.336 7.096 1.00 1.76 H new ATOM 0 HD12 LEU A 90 6.504 -0.229 5.726 1.00 1.76 H new ATOM 0 HD13 LEU A 90 7.722 -1.469 6.106 1.00 1.76 H new ATOM 0 HD21 LEU A 90 7.651 -1.123 9.151 1.00 1.92 H new ATOM 0 HD22 LEU A 90 9.125 -1.254 8.163 1.00 1.92 H new ATOM 0 HD23 LEU A 90 8.904 0.138 9.249 1.00 1.92 H new ATOM 454 N ILE A 91 9.738 3.543 5.266 1.00 0.55 N ATOM 455 CA ILE A 91 10.781 4.288 4.506 1.00 0.65 C ATOM 456 C ILE A 91 11.159 5.554 5.273 1.00 0.75 C ATOM 457 O ILE A 91 12.321 5.853 5.454 1.00 0.87 O ATOM 458 CB ILE A 91 10.241 4.663 3.125 1.00 0.63 C ATOM 459 CG1 ILE A 91 9.750 3.401 2.411 1.00 0.58 C ATOM 460 CG2 ILE A 91 11.353 5.311 2.299 1.00 0.75 C ATOM 461 CD1 ILE A 91 9.071 3.791 1.098 1.00 0.66 C ATOM 0 H ILE A 91 8.873 3.365 4.756 1.00 0.55 H new ATOM 0 HA ILE A 91 11.663 3.659 4.386 1.00 0.65 H new ATOM 0 HB ILE A 91 9.415 5.365 3.238 1.00 0.63 H new ATOM 0 HG12 ILE A 91 10.588 2.732 2.215 1.00 0.58 H new ATOM 0 HG13 ILE A 91 9.051 2.859 3.047 1.00 0.58 H new ATOM 0 HG21 ILE A 91 10.967 5.578 1.315 1.00 0.75 H new ATOM 0 HG22 ILE A 91 11.707 6.209 2.806 1.00 0.75 H new ATOM 0 HG23 ILE A 91 12.179 4.609 2.187 1.00 0.75 H new ATOM 0 HD11 ILE A 91 8.721 2.893 0.589 1.00 0.66 H new ATOM 0 HD12 ILE A 91 8.223 4.444 1.307 1.00 0.66 H new ATOM 0 HD13 ILE A 91 9.784 4.315 0.461 1.00 0.66 H new ATOM 473 N SER A 92 10.193 6.300 5.734 1.00 0.73 N ATOM 474 CA SER A 92 10.530 7.535 6.489 1.00 0.87 C ATOM 475 C SER A 92 11.414 7.154 7.676 1.00 0.94 C ATOM 476 O SER A 92 12.440 7.760 7.918 1.00 1.07 O ATOM 477 CB SER A 92 9.248 8.199 6.992 1.00 0.86 C ATOM 478 OG SER A 92 8.935 9.307 6.158 1.00 1.29 O ATOM 0 H SER A 92 9.197 6.110 5.622 1.00 0.73 H new ATOM 0 HA SER A 92 11.058 8.235 5.841 1.00 0.87 H new ATOM 0 HB2 SER A 92 8.427 7.482 6.987 1.00 0.86 H new ATOM 0 HB3 SER A 92 9.376 8.530 8.023 1.00 0.86 H new ATOM 0 HG SER A 92 8.113 9.734 6.477 1.00 1.29 H new ATOM 484 N TYR A 93 11.034 6.145 8.412 1.00 0.89 N ATOM 485 CA TYR A 93 11.868 5.722 9.570 1.00 1.00 C ATOM 486 C TYR A 93 13.280 5.384 9.083 1.00 1.05 C ATOM 487 O TYR A 93 14.262 5.817 9.653 1.00 1.18 O ATOM 488 CB TYR A 93 11.249 4.488 10.229 1.00 0.96 C ATOM 489 CG TYR A 93 11.985 4.187 11.513 1.00 1.27 C ATOM 490 CD1 TYR A 93 12.310 5.226 12.394 1.00 2.13 C ATOM 491 CD2 TYR A 93 12.344 2.870 11.822 1.00 1.62 C ATOM 492 CE1 TYR A 93 12.992 4.947 13.584 1.00 2.53 C ATOM 493 CE2 TYR A 93 13.026 2.590 13.011 1.00 1.95 C ATOM 494 CZ TYR A 93 13.350 3.629 13.893 1.00 2.15 C ATOM 495 OH TYR A 93 14.024 3.352 15.065 1.00 2.64 O ATOM 0 H TYR A 93 10.186 5.598 8.262 1.00 0.89 H new ATOM 0 HA TYR A 93 11.915 6.533 10.296 1.00 1.00 H new ATOM 0 HB2 TYR A 93 10.193 4.662 10.434 1.00 0.96 H new ATOM 0 HB3 TYR A 93 11.306 3.634 9.554 1.00 0.96 H new ATOM 0 HD1 TYR A 93 12.034 6.243 12.155 1.00 2.13 H new ATOM 0 HD2 TYR A 93 12.094 2.069 11.142 1.00 1.62 H new ATOM 0 HE1 TYR A 93 13.242 5.748 14.264 1.00 2.53 H new ATOM 0 HE2 TYR A 93 13.303 1.573 13.249 1.00 1.95 H new ATOM 0 HH TYR A 93 14.195 2.389 15.124 1.00 2.64 H new ATOM 505 N GLY A 94 13.392 4.617 8.027 1.00 0.97 N ATOM 506 CA GLY A 94 14.744 4.263 7.510 1.00 1.05 C ATOM 507 C GLY A 94 15.507 5.546 7.194 1.00 1.16 C ATOM 508 O GLY A 94 16.648 5.713 7.578 1.00 1.29 O ATOM 0 H GLY A 94 12.609 4.224 7.505 1.00 0.97 H new ATOM 0 HA2 GLY A 94 15.287 3.674 8.249 1.00 1.05 H new ATOM 0 HA3 GLY A 94 14.655 3.648 6.615 1.00 1.05 H new ATOM 512 N ILE A 95 14.882 6.463 6.507 1.00 1.14 N ATOM 513 CA ILE A 95 15.575 7.744 6.183 1.00 1.29 C ATOM 514 C ILE A 95 16.027 8.405 7.490 1.00 1.41 C ATOM 515 O ILE A 95 17.154 8.845 7.620 1.00 1.55 O ATOM 516 CB ILE A 95 14.615 8.676 5.430 1.00 1.28 C ATOM 517 CG1 ILE A 95 14.551 8.254 3.960 1.00 1.74 C ATOM 518 CG2 ILE A 95 15.116 10.121 5.516 1.00 1.77 C ATOM 519 CD1 ILE A 95 13.243 7.507 3.695 1.00 2.19 C ATOM 0 H ILE A 95 13.927 6.382 6.157 1.00 1.14 H new ATOM 0 HA ILE A 95 16.441 7.548 5.551 1.00 1.29 H new ATOM 0 HB ILE A 95 13.624 8.610 5.880 1.00 1.28 H new ATOM 0 HG12 ILE A 95 14.617 9.131 3.317 1.00 1.74 H new ATOM 0 HG13 ILE A 95 15.401 7.616 3.717 1.00 1.74 H new ATOM 0 HG21 ILE A 95 14.430 10.776 4.980 1.00 1.77 H new ATOM 0 HG22 ILE A 95 15.167 10.427 6.561 1.00 1.77 H new ATOM 0 HG23 ILE A 95 16.108 10.190 5.069 1.00 1.77 H new ATOM 0 HD11 ILE A 95 13.201 7.208 2.648 1.00 2.19 H new ATOM 0 HD12 ILE A 95 13.196 6.621 4.328 1.00 2.19 H new ATOM 0 HD13 ILE A 95 12.399 8.159 3.921 1.00 2.19 H new ATOM 531 N ARG A 96 15.155 8.474 8.458 1.00 1.37 N ATOM 532 CA ARG A 96 15.530 9.103 9.756 1.00 1.51 C ATOM 533 C ARG A 96 16.754 8.387 10.331 1.00 1.58 C ATOM 534 O ARG A 96 17.705 9.006 10.761 1.00 1.73 O ATOM 535 CB ARG A 96 14.363 8.981 10.740 1.00 1.46 C ATOM 536 CG ARG A 96 14.821 9.415 12.133 1.00 1.73 C ATOM 537 CD ARG A 96 13.806 10.394 12.722 1.00 2.03 C ATOM 538 NE ARG A 96 12.451 9.774 12.702 1.00 2.00 N ATOM 539 CZ ARG A 96 11.480 10.301 13.398 1.00 2.45 C ATOM 540 NH1 ARG A 96 11.437 10.131 14.692 1.00 2.76 N ATOM 541 NH2 ARG A 96 10.554 10.998 12.800 1.00 3.14 N ATOM 0 H ARG A 96 14.199 8.122 8.406 1.00 1.37 H new ATOM 0 HA ARG A 96 15.762 10.156 9.596 1.00 1.51 H new ATOM 0 HB2 ARG A 96 13.529 9.601 10.410 1.00 1.46 H new ATOM 0 HB3 ARG A 96 14.003 7.952 10.768 1.00 1.46 H new ATOM 0 HG2 ARG A 96 14.922 8.545 12.782 1.00 1.73 H new ATOM 0 HG3 ARG A 96 15.803 9.884 12.075 1.00 1.73 H new ATOM 0 HD2 ARG A 96 14.084 10.653 13.744 1.00 2.03 H new ATOM 0 HD3 ARG A 96 13.803 11.321 12.148 1.00 2.03 H new ATOM 0 HE ARG A 96 12.282 8.937 12.144 1.00 2.00 H new ATOM 0 HH11 ARG A 96 12.162 9.586 15.159 1.00 2.76 H new ATOM 0 HH12 ARG A 96 10.678 10.543 15.236 1.00 2.76 H new ATOM 0 HH21 ARG A 96 10.589 11.131 11.789 1.00 3.14 H new ATOM 0 HH22 ARG A 96 9.795 11.410 13.343 1.00 3.14 H new ATOM 555 N ARG A 97 16.735 7.084 10.341 1.00 1.50 N ATOM 556 CA ARG A 97 17.895 6.324 10.885 1.00 1.59 C ATOM 557 C ARG A 97 19.167 6.717 10.133 1.00 1.69 C ATOM 558 O ARG A 97 20.197 6.970 10.726 1.00 1.84 O ATOM 559 CB ARG A 97 17.652 4.822 10.730 1.00 1.50 C ATOM 560 CG ARG A 97 18.907 4.058 11.153 1.00 1.77 C ATOM 561 CD ARG A 97 18.773 2.586 10.752 1.00 2.23 C ATOM 562 NE ARG A 97 17.977 1.852 11.778 1.00 2.70 N ATOM 563 CZ ARG A 97 18.098 2.153 13.042 1.00 3.07 C ATOM 564 NH1 ARG A 97 19.274 2.134 13.607 1.00 3.56 N ATOM 565 NH2 ARG A 97 17.043 2.476 13.741 1.00 3.58 N ATOM 0 H ARG A 97 15.965 6.511 9.995 1.00 1.50 H new ATOM 0 HA ARG A 97 18.012 6.561 11.942 1.00 1.59 H new ATOM 0 HB2 ARG A 97 16.803 4.515 11.341 1.00 1.50 H new ATOM 0 HB3 ARG A 97 17.402 4.588 9.695 1.00 1.50 H new ATOM 0 HG2 ARG A 97 19.787 4.495 10.681 1.00 1.77 H new ATOM 0 HG3 ARG A 97 19.049 4.140 12.231 1.00 1.77 H new ATOM 0 HD2 ARG A 97 18.289 2.508 9.779 1.00 2.23 H new ATOM 0 HD3 ARG A 97 19.761 2.135 10.654 1.00 2.23 H new ATOM 0 HE ARG A 97 17.336 1.112 11.491 1.00 2.70 H new ATOM 0 HH11 ARG A 97 20.098 1.884 13.061 1.00 3.56 H new ATOM 0 HH12 ARG A 97 19.369 2.369 14.595 1.00 3.56 H new ATOM 0 HH21 ARG A 97 16.124 2.493 13.299 1.00 3.58 H new ATOM 0 HH22 ARG A 97 17.138 2.711 14.729 1.00 3.58 H new ATOM 579 N LEU A 98 19.108 6.763 8.832 1.00 1.64 N ATOM 580 CA LEU A 98 20.320 7.130 8.051 1.00 1.75 C ATOM 581 C LEU A 98 20.817 8.501 8.527 1.00 1.91 C ATOM 582 O LEU A 98 21.991 8.692 8.778 1.00 2.05 O ATOM 583 CB LEU A 98 19.966 7.135 6.544 1.00 1.69 C ATOM 584 CG LEU A 98 20.098 8.536 5.928 1.00 2.11 C ATOM 585 CD1 LEU A 98 21.576 8.927 5.853 1.00 2.66 C ATOM 586 CD2 LEU A 98 19.506 8.526 4.516 1.00 2.38 C ATOM 0 H LEU A 98 18.276 6.563 8.277 1.00 1.64 H new ATOM 0 HA LEU A 98 21.120 6.406 8.205 1.00 1.75 H new ATOM 0 HB2 LEU A 98 20.621 6.443 6.015 1.00 1.69 H new ATOM 0 HB3 LEU A 98 18.946 6.774 6.410 1.00 1.69 H new ATOM 0 HG LEU A 98 19.563 9.256 6.547 1.00 2.11 H new ATOM 0 HD11 LEU A 98 21.668 9.921 5.416 1.00 2.66 H new ATOM 0 HD12 LEU A 98 22.003 8.931 6.856 1.00 2.66 H new ATOM 0 HD13 LEU A 98 22.112 8.208 5.234 1.00 2.66 H new ATOM 0 HD21 LEU A 98 19.598 9.519 4.076 1.00 2.38 H new ATOM 0 HD22 LEU A 98 20.044 7.805 3.901 1.00 2.38 H new ATOM 0 HD23 LEU A 98 18.453 8.247 4.565 1.00 2.38 H new ATOM 598 N ILE A 99 19.936 9.451 8.661 1.00 1.90 N ATOM 599 CA ILE A 99 20.363 10.799 9.130 1.00 2.06 C ATOM 600 C ILE A 99 20.597 10.757 10.641 1.00 2.14 C ATOM 601 O ILE A 99 21.363 11.527 11.184 1.00 2.20 O ATOM 602 CB ILE A 99 19.263 11.811 8.819 1.00 2.05 C ATOM 603 CG1 ILE A 99 17.968 11.368 9.504 1.00 1.98 C ATOM 604 CG2 ILE A 99 19.043 11.877 7.306 1.00 2.03 C ATOM 605 CD1 ILE A 99 16.998 12.549 9.573 1.00 2.00 C ATOM 0 H ILE A 99 18.939 9.354 8.467 1.00 1.90 H new ATOM 0 HA ILE A 99 21.284 11.089 8.624 1.00 2.06 H new ATOM 0 HB ILE A 99 19.555 12.796 9.184 1.00 2.05 H new ATOM 0 HG12 ILE A 99 17.516 10.544 8.952 1.00 1.98 H new ATOM 0 HG13 ILE A 99 18.182 11.000 10.508 1.00 1.98 H new ATOM 0 HG21 ILE A 99 18.258 12.599 7.084 1.00 2.03 H new ATOM 0 HG22 ILE A 99 19.967 12.184 6.817 1.00 2.03 H new ATOM 0 HG23 ILE A 99 18.747 10.895 6.938 1.00 2.03 H new ATOM 0 HD11 ILE A 99 16.075 12.234 10.061 1.00 2.00 H new ATOM 0 HD12 ILE A 99 17.452 13.360 10.143 1.00 2.00 H new ATOM 0 HD13 ILE A 99 16.775 12.896 8.564 1.00 2.00 H new ATOM 617 N LYS A 100 19.937 9.862 11.325 1.00 2.35 N ATOM 618 CA LYS A 100 20.115 9.769 12.801 1.00 2.45 C ATOM 619 C LYS A 100 21.180 8.720 13.124 1.00 2.85 C ATOM 620 O LYS A 100 21.029 7.554 12.817 1.00 3.21 O ATOM 621 CB LYS A 100 18.789 9.367 13.450 1.00 2.30 C ATOM 622 CG LYS A 100 18.845 9.664 14.949 1.00 2.60 C ATOM 623 CD LYS A 100 17.880 10.803 15.279 1.00 2.94 C ATOM 624 CE LYS A 100 17.159 10.499 16.594 1.00 3.56 C ATOM 625 NZ LYS A 100 16.717 11.775 17.223 1.00 3.91 N ATOM 0 H LYS A 100 19.282 9.191 10.924 1.00 2.35 H new ATOM 0 HA LYS A 100 20.432 10.737 13.189 1.00 2.45 H new ATOM 0 HB2 LYS A 100 17.966 9.914 12.990 1.00 2.30 H new ATOM 0 HB3 LYS A 100 18.598 8.307 13.285 1.00 2.30 H new ATOM 0 HG2 LYS A 100 18.580 8.772 15.517 1.00 2.60 H new ATOM 0 HG3 LYS A 100 19.860 9.937 15.239 1.00 2.60 H new ATOM 0 HD2 LYS A 100 18.425 11.743 15.360 1.00 2.94 H new ATOM 0 HD3 LYS A 100 17.155 10.924 14.474 1.00 2.94 H new ATOM 0 HE2 LYS A 100 16.299 9.855 16.410 1.00 3.56 H new ATOM 0 HE3 LYS A 100 17.823 9.959 17.269 1.00 3.56 H new ATOM 0 HZ1 LYS A 100 16.227 11.570 18.117 1.00 3.91 H new ATOM 0 HZ2 LYS A 100 17.546 12.374 17.412 1.00 3.91 H new ATOM 0 HZ3 LYS A 100 16.069 12.273 16.580 1.00 3.91 H new ATOM 639 N LYS A 101 22.255 9.122 13.743 1.00 3.09 N ATOM 640 CA LYS A 101 23.327 8.146 14.086 1.00 3.63 C ATOM 641 C LYS A 101 23.879 7.526 12.800 1.00 4.10 C ATOM 642 O LYS A 101 25.031 7.783 12.491 1.00 4.56 O ATOM 643 CB LYS A 101 22.747 7.041 14.973 1.00 3.99 C ATOM 644 CG LYS A 101 23.603 6.895 16.232 1.00 4.58 C ATOM 645 CD LYS A 101 22.870 7.509 17.426 1.00 5.25 C ATOM 646 CE LYS A 101 22.478 8.952 17.100 1.00 6.09 C ATOM 647 NZ LYS A 101 21.784 9.555 18.273 1.00 6.53 N ATOM 648 OXT LYS A 101 23.141 6.809 12.146 1.00 4.44 O ATOM 0 H LYS A 101 22.438 10.085 14.026 1.00 3.09 H new ATOM 0 HA LYS A 101 24.128 8.658 14.619 1.00 3.63 H new ATOM 0 HB2 LYS A 101 21.719 7.281 15.245 1.00 3.99 H new ATOM 0 HB3 LYS A 101 22.721 6.098 14.427 1.00 3.99 H new ATOM 0 HG2 LYS A 101 23.811 5.842 16.422 1.00 4.58 H new ATOM 0 HG3 LYS A 101 24.564 7.389 16.090 1.00 4.58 H new ATOM 0 HD2 LYS A 101 21.981 6.924 17.660 1.00 5.25 H new ATOM 0 HD3 LYS A 101 23.509 7.485 18.309 1.00 5.25 H new ATOM 0 HE2 LYS A 101 23.365 9.534 16.850 1.00 6.09 H new ATOM 0 HE3 LYS A 101 21.826 8.975 16.227 1.00 6.09 H new ATOM 0 HZ1 LYS A 101 21.517 10.536 18.052 1.00 6.53 H new ATOM 0 HZ2 LYS A 101 20.929 9.004 18.491 1.00 6.53 H new ATOM 0 HZ3 LYS A 101 22.421 9.546 19.095 1.00 6.53 H new TER 662 LYS A 101 ATOM 663 N VAL B 62 -16.170 -28.661 22.301 1.00 19.64 N ATOM 664 CA VAL B 62 -17.226 -28.066 21.434 1.00 19.45 C ATOM 665 C VAL B 62 -17.240 -28.781 20.082 1.00 18.79 C ATOM 666 O VAL B 62 -16.381 -29.587 19.786 1.00 19.02 O ATOM 667 CB VAL B 62 -16.933 -26.581 21.220 1.00 19.77 C ATOM 668 CG1 VAL B 62 -16.679 -25.909 22.571 1.00 20.22 C ATOM 669 CG2 VAL B 62 -15.693 -26.430 20.336 1.00 19.99 C ATOM 0 HA VAL B 62 -18.197 -28.180 21.916 1.00 19.45 H new ATOM 0 HB VAL B 62 -17.787 -26.109 20.735 1.00 19.77 H new ATOM 0 HG11 VAL B 62 -16.470 -24.850 22.417 1.00 20.22 H new ATOM 0 HG12 VAL B 62 -17.561 -26.017 23.203 1.00 20.22 H new ATOM 0 HG13 VAL B 62 -15.825 -26.380 23.057 1.00 20.22 H new ATOM 0 HG21 VAL B 62 -15.482 -25.372 20.182 1.00 19.99 H new ATOM 0 HG22 VAL B 62 -14.840 -26.903 20.822 1.00 19.99 H new ATOM 0 HG23 VAL B 62 -15.872 -26.908 19.373 1.00 19.99 H new ATOM 681 N GLN B 63 -18.211 -28.493 19.257 1.00 18.10 N ATOM 682 CA GLN B 63 -18.278 -29.157 17.925 1.00 17.56 C ATOM 683 C GLN B 63 -17.980 -28.134 16.826 1.00 16.86 C ATOM 684 O GLN B 63 -18.137 -26.944 17.014 1.00 16.59 O ATOM 685 CB GLN B 63 -19.677 -29.749 17.717 1.00 17.30 C ATOM 686 CG GLN B 63 -20.706 -28.624 17.571 1.00 17.01 C ATOM 687 CD GLN B 63 -21.136 -28.137 18.956 1.00 16.75 C ATOM 688 OE1 GLN B 63 -20.884 -26.905 19.307 1.00 17.03 O flip ATOM 689 NE2 GLN B 63 -21.705 -28.884 19.726 1.00 16.36 N flip ATOM 0 H GLN B 63 -18.960 -27.827 19.449 1.00 18.10 H new ATOM 0 HA GLN B 63 -17.539 -29.957 17.881 1.00 17.56 H new ATOM 0 HB2 GLN B 63 -19.686 -30.379 16.827 1.00 17.30 H new ATOM 0 HB3 GLN B 63 -19.940 -30.386 18.561 1.00 17.30 H new ATOM 0 HG2 GLN B 63 -20.279 -27.799 17.001 1.00 17.01 H new ATOM 0 HG3 GLN B 63 -21.573 -28.981 17.015 1.00 17.01 H new ATOM 0 HE21 GLN B 63 -21.902 -29.846 19.451 1.00 16.36 H new ATOM 0 HE22 GLN B 63 -21.986 -28.549 20.647 1.00 16.36 H new ATOM 698 N LEU B 64 -17.551 -28.588 15.680 1.00 16.69 N ATOM 699 CA LEU B 64 -17.243 -27.642 14.570 1.00 16.15 C ATOM 700 C LEU B 64 -18.524 -26.940 14.126 1.00 15.61 C ATOM 701 O LEU B 64 -19.080 -27.245 13.089 1.00 15.57 O ATOM 702 CB LEU B 64 -16.662 -28.411 13.386 1.00 16.73 C ATOM 703 CG LEU B 64 -15.207 -27.994 13.166 1.00 16.88 C ATOM 704 CD1 LEU B 64 -14.346 -28.511 14.319 1.00 17.47 C ATOM 705 CD2 LEU B 64 -14.701 -28.587 11.849 1.00 17.27 C ATOM 0 H LEU B 64 -17.400 -29.574 15.464 1.00 16.69 H new ATOM 0 HA LEU B 64 -16.520 -26.905 14.920 1.00 16.15 H new ATOM 0 HB2 LEU B 64 -16.719 -29.483 13.573 1.00 16.73 H new ATOM 0 HB3 LEU B 64 -17.247 -28.212 12.488 1.00 16.73 H new ATOM 0 HG LEU B 64 -15.144 -26.907 13.125 1.00 16.88 H new ATOM 0 HD11 LEU B 64 -13.309 -28.213 14.161 1.00 17.47 H new ATOM 0 HD12 LEU B 64 -14.705 -28.091 15.258 1.00 17.47 H new ATOM 0 HD13 LEU B 64 -14.409 -29.598 14.361 1.00 17.47 H new ATOM 0 HD21 LEU B 64 -13.664 -28.290 11.691 1.00 17.27 H new ATOM 0 HD22 LEU B 64 -14.765 -29.674 11.891 1.00 17.27 H new ATOM 0 HD23 LEU B 64 -15.313 -28.219 11.025 1.00 17.27 H new ATOM 717 N ALA B 65 -18.999 -26.002 14.893 1.00 15.34 N ATOM 718 CA ALA B 65 -20.243 -25.290 14.497 1.00 14.99 C ATOM 719 C ALA B 65 -19.879 -23.934 13.893 1.00 14.10 C ATOM 720 O ALA B 65 -20.663 -23.323 13.192 1.00 13.96 O ATOM 721 CB ALA B 65 -21.131 -25.084 15.725 1.00 15.58 C ATOM 0 H ALA B 65 -18.582 -25.698 15.773 1.00 15.34 H new ATOM 0 HA ALA B 65 -20.783 -25.884 13.760 1.00 14.99 H new ATOM 0 HB1 ALA B 65 -22.042 -24.562 15.432 1.00 15.58 H new ATOM 0 HB2 ALA B 65 -21.390 -26.052 16.154 1.00 15.58 H new ATOM 0 HB3 ALA B 65 -20.595 -24.491 16.466 1.00 15.58 H new ATOM 727 N HIS B 66 -18.693 -23.457 14.157 1.00 13.65 N ATOM 728 CA HIS B 66 -18.279 -22.141 13.596 1.00 12.91 C ATOM 729 C HIS B 66 -18.402 -22.180 12.072 1.00 12.30 C ATOM 730 O HIS B 66 -18.735 -23.195 11.492 1.00 12.38 O ATOM 731 CB HIS B 66 -16.826 -21.853 13.987 1.00 12.96 C ATOM 732 CG HIS B 66 -15.904 -22.748 13.205 1.00 13.34 C ATOM 733 ND1 HIS B 66 -16.297 -23.993 12.741 1.00 13.54 N ATOM 734 CD2 HIS B 66 -14.603 -22.589 12.795 1.00 13.74 C ATOM 735 CE1 HIS B 66 -15.253 -24.531 12.085 1.00 14.03 C ATOM 736 NE2 HIS B 66 -14.194 -23.716 12.088 1.00 14.18 N ATOM 0 H HIS B 66 -17.994 -23.922 14.736 1.00 13.65 H new ATOM 0 HA HIS B 66 -18.922 -21.355 13.993 1.00 12.91 H new ATOM 0 HB2 HIS B 66 -16.587 -20.808 13.791 1.00 12.96 H new ATOM 0 HB3 HIS B 66 -16.688 -22.017 15.056 1.00 12.96 H new ATOM 0 HD2 HIS B 66 -13.990 -21.721 12.991 1.00 13.74 H new ATOM 0 HE1 HIS B 66 -15.269 -25.503 11.614 1.00 14.03 H new ATOM 0 HE2 HIS B 66 -13.282 -23.884 11.663 1.00 14.18 H new ATOM 744 N HIS B 67 -18.134 -21.084 11.418 1.00 11.87 N ATOM 745 CA HIS B 67 -18.237 -21.062 9.932 1.00 11.46 C ATOM 746 C HIS B 67 -17.311 -19.982 9.370 1.00 10.55 C ATOM 747 O HIS B 67 -16.809 -19.143 10.092 1.00 10.53 O ATOM 748 CB HIS B 67 -19.681 -20.762 9.525 1.00 11.84 C ATOM 749 CG HIS B 67 -20.066 -19.391 10.011 1.00 12.35 C ATOM 750 ND1 HIS B 67 -19.888 -18.761 11.217 1.00 12.68 N flip ATOM 751 CD2 HIS B 67 -20.734 -18.484 9.205 1.00 12.80 C flip ATOM 752 CE1 HIS B 67 -20.435 -17.483 11.164 1.00 13.29 C flip ATOM 753 NE2 HIS B 67 -20.933 -17.367 9.929 1.00 13.39 N flip ATOM 0 H HIS B 67 -17.849 -20.204 11.847 1.00 11.87 H new ATOM 0 HA HIS B 67 -17.942 -22.033 9.534 1.00 11.46 H new ATOM 0 HB2 HIS B 67 -19.783 -20.817 8.441 1.00 11.84 H new ATOM 0 HB3 HIS B 67 -20.352 -21.510 9.947 1.00 11.84 H new ATOM 0 HD2 HIS B 67 -21.040 -18.644 8.182 1.00 12.80 H new ATOM 0 HE1 HIS B 67 -20.453 -16.744 11.951 1.00 13.29 H new ATOM 0 HE2 HIS B 67 -21.406 -16.534 9.578 1.00 13.39 H new ATOM 761 N PHE B 68 -17.079 -19.994 8.085 1.00 10.00 N ATOM 762 CA PHE B 68 -16.186 -18.967 7.479 1.00 9.29 C ATOM 763 C PHE B 68 -16.532 -18.796 5.999 1.00 8.27 C ATOM 764 O PHE B 68 -15.705 -18.998 5.131 1.00 8.29 O ATOM 765 CB PHE B 68 -14.724 -19.408 7.614 1.00 9.52 C ATOM 766 CG PHE B 68 -14.639 -20.917 7.578 1.00 10.43 C ATOM 767 CD1 PHE B 68 -14.809 -21.656 8.755 1.00 11.07 C ATOM 768 CD2 PHE B 68 -14.385 -21.574 6.369 1.00 10.86 C ATOM 769 CE1 PHE B 68 -14.727 -23.052 8.723 1.00 12.06 C ATOM 770 CE2 PHE B 68 -14.302 -22.972 6.337 1.00 11.86 C ATOM 771 CZ PHE B 68 -14.474 -23.711 7.514 1.00 12.43 C ATOM 0 H PHE B 68 -17.470 -20.671 7.429 1.00 10.00 H new ATOM 0 HA PHE B 68 -16.326 -18.018 7.997 1.00 9.29 H new ATOM 0 HB2 PHE B 68 -14.130 -18.982 6.806 1.00 9.52 H new ATOM 0 HB3 PHE B 68 -14.306 -19.033 8.548 1.00 9.52 H new ATOM 0 HD1 PHE B 68 -15.004 -21.148 9.688 1.00 11.07 H new ATOM 0 HD2 PHE B 68 -14.253 -21.004 5.461 1.00 10.86 H new ATOM 0 HE1 PHE B 68 -14.859 -23.622 9.631 1.00 12.06 H new ATOM 0 HE2 PHE B 68 -14.105 -23.480 5.404 1.00 11.86 H new ATOM 0 HZ PHE B 68 -14.412 -24.789 7.489 1.00 12.43 H new ATOM 781 N SER B 69 -17.747 -18.424 5.703 1.00 7.61 N ATOM 782 CA SER B 69 -18.142 -18.238 4.278 1.00 6.80 C ATOM 783 C SER B 69 -17.580 -16.909 3.766 1.00 5.60 C ATOM 784 O SER B 69 -17.158 -16.068 4.535 1.00 5.39 O ATOM 785 CB SER B 69 -19.667 -18.223 4.171 1.00 7.36 C ATOM 786 OG SER B 69 -20.216 -19.070 5.170 1.00 8.12 O ATOM 0 H SER B 69 -18.483 -18.241 6.385 1.00 7.61 H new ATOM 0 HA SER B 69 -17.745 -19.057 3.678 1.00 6.80 H new ATOM 0 HB2 SER B 69 -20.042 -17.207 4.294 1.00 7.36 H new ATOM 0 HB3 SER B 69 -19.977 -18.560 3.182 1.00 7.36 H new ATOM 0 HG SER B 69 -21.194 -19.061 5.105 1.00 8.12 H new ATOM 792 N GLU B 70 -17.566 -16.715 2.476 1.00 5.12 N ATOM 793 CA GLU B 70 -17.026 -15.440 1.924 1.00 4.22 C ATOM 794 C GLU B 70 -15.656 -15.154 2.553 1.00 3.04 C ATOM 795 O GLU B 70 -15.578 -14.594 3.628 1.00 3.18 O ATOM 796 CB GLU B 70 -17.988 -14.296 2.252 1.00 4.88 C ATOM 797 CG GLU B 70 -18.870 -14.007 1.036 1.00 5.77 C ATOM 798 CD GLU B 70 -19.956 -12.999 1.417 1.00 6.71 C ATOM 799 OE1 GLU B 70 -19.858 -12.429 2.491 1.00 7.09 O ATOM 800 OE2 GLU B 70 -20.869 -12.815 0.628 1.00 7.29 O ATOM 0 H GLU B 70 -17.904 -17.382 1.782 1.00 5.12 H new ATOM 0 HA GLU B 70 -16.919 -15.525 0.843 1.00 4.22 H new ATOM 0 HB2 GLU B 70 -18.607 -14.562 3.109 1.00 4.88 H new ATOM 0 HB3 GLU B 70 -17.427 -13.403 2.528 1.00 4.88 H new ATOM 0 HG2 GLU B 70 -18.264 -13.613 0.220 1.00 5.77 H new ATOM 0 HG3 GLU B 70 -19.326 -14.930 0.677 1.00 5.77 H new ATOM 807 N PRO B 71 -14.616 -15.553 1.863 1.00 2.28 N ATOM 808 CA PRO B 71 -13.233 -15.355 2.338 1.00 1.48 C ATOM 809 C PRO B 71 -12.937 -13.862 2.514 1.00 1.33 C ATOM 810 O PRO B 71 -12.140 -13.289 1.797 1.00 1.29 O ATOM 811 CB PRO B 71 -12.350 -15.956 1.237 1.00 2.00 C ATOM 812 CG PRO B 71 -13.284 -16.500 0.126 1.00 2.71 C ATOM 813 CD PRO B 71 -14.733 -16.231 0.559 1.00 2.87 C ATOM 0 HA PRO B 71 -13.057 -15.824 3.306 1.00 1.48 H new ATOM 0 HB2 PRO B 71 -11.675 -15.201 0.833 1.00 2.00 H new ATOM 0 HB3 PRO B 71 -11.729 -16.756 1.640 1.00 2.00 H new ATOM 0 HG2 PRO B 71 -13.072 -16.011 -0.825 1.00 2.71 H new ATOM 0 HG3 PRO B 71 -13.121 -17.568 -0.021 1.00 2.71 H new ATOM 0 HD2 PRO B 71 -15.253 -15.606 -0.167 1.00 2.87 H new ATOM 0 HD3 PRO B 71 -15.299 -17.159 0.645 1.00 2.87 H new ATOM 821 N GLU B 72 -13.571 -13.228 3.462 1.00 1.30 N ATOM 822 CA GLU B 72 -13.324 -11.777 3.682 1.00 1.19 C ATOM 823 C GLU B 72 -11.876 -11.568 4.127 1.00 1.06 C ATOM 824 O GLU B 72 -11.054 -11.075 3.382 1.00 1.01 O ATOM 825 CB GLU B 72 -14.269 -11.256 4.767 1.00 1.29 C ATOM 826 CG GLU B 72 -15.310 -10.330 4.135 1.00 1.90 C ATOM 827 CD GLU B 72 -14.851 -8.878 4.269 1.00 2.25 C ATOM 828 OE1 GLU B 72 -13.792 -8.562 3.753 1.00 2.89 O ATOM 829 OE2 GLU B 72 -15.565 -8.106 4.887 1.00 2.52 O ATOM 0 H GLU B 72 -14.250 -13.653 4.094 1.00 1.30 H new ATOM 0 HA GLU B 72 -13.502 -11.235 2.753 1.00 1.19 H new ATOM 0 HB2 GLU B 72 -14.763 -12.090 5.265 1.00 1.29 H new ATOM 0 HB3 GLU B 72 -13.704 -10.719 5.529 1.00 1.29 H new ATOM 0 HG2 GLU B 72 -15.447 -10.583 3.084 1.00 1.90 H new ATOM 0 HG3 GLU B 72 -16.275 -10.464 4.623 1.00 1.90 H new ATOM 836 N ILE B 73 -11.557 -11.938 5.338 1.00 1.07 N ATOM 837 CA ILE B 73 -10.167 -11.759 5.832 1.00 0.98 C ATOM 838 C ILE B 73 -9.177 -12.175 4.741 1.00 0.89 C ATOM 839 O ILE B 73 -8.099 -11.625 4.626 1.00 0.82 O ATOM 840 CB ILE B 73 -9.962 -12.618 7.082 1.00 1.09 C ATOM 841 CG1 ILE B 73 -8.749 -12.097 7.844 1.00 1.29 C ATOM 842 CG2 ILE B 73 -9.732 -14.080 6.687 1.00 1.27 C ATOM 843 CD1 ILE B 73 -9.220 -11.306 9.065 1.00 2.11 C ATOM 0 H ILE B 73 -12.203 -12.358 6.006 1.00 1.07 H new ATOM 0 HA ILE B 73 -9.997 -10.712 6.083 1.00 0.98 H new ATOM 0 HB ILE B 73 -10.851 -12.562 7.711 1.00 1.09 H new ATOM 0 HG12 ILE B 73 -8.117 -12.928 8.157 1.00 1.29 H new ATOM 0 HG13 ILE B 73 -8.144 -11.462 7.197 1.00 1.29 H new ATOM 0 HG21 ILE B 73 -9.587 -14.681 7.585 1.00 1.27 H new ATOM 0 HG22 ILE B 73 -10.599 -14.449 6.139 1.00 1.27 H new ATOM 0 HG23 ILE B 73 -8.846 -14.151 6.056 1.00 1.27 H new ATOM 0 HD11 ILE B 73 -8.355 -10.932 9.612 1.00 2.11 H new ATOM 0 HD12 ILE B 73 -9.834 -10.466 8.740 1.00 2.11 H new ATOM 0 HD13 ILE B 73 -9.807 -11.955 9.715 1.00 2.11 H new ATOM 855 N THR B 74 -9.533 -13.138 3.938 1.00 0.92 N ATOM 856 CA THR B 74 -8.611 -13.580 2.856 1.00 0.87 C ATOM 857 C THR B 74 -8.470 -12.455 1.829 1.00 0.77 C ATOM 858 O THR B 74 -7.380 -12.109 1.417 1.00 0.69 O ATOM 859 CB THR B 74 -9.178 -14.828 2.176 1.00 0.99 C ATOM 860 OG1 THR B 74 -9.163 -15.912 3.093 1.00 1.57 O ATOM 861 CG2 THR B 74 -8.325 -15.176 0.956 1.00 1.43 C ATOM 0 H THR B 74 -10.421 -13.637 3.984 1.00 0.92 H new ATOM 0 HA THR B 74 -7.634 -13.816 3.279 1.00 0.87 H new ATOM 0 HB THR B 74 -10.203 -14.637 1.857 1.00 0.99 H new ATOM 0 HG1 THR B 74 -9.527 -16.712 2.660 1.00 1.57 H new ATOM 0 HG21 THR B 74 -8.729 -16.065 0.471 1.00 1.43 H new ATOM 0 HG22 THR B 74 -8.337 -14.343 0.254 1.00 1.43 H new ATOM 0 HG23 THR B 74 -7.300 -15.369 1.272 1.00 1.43 H new ATOM 869 N LEU B 75 -9.566 -11.879 1.417 1.00 0.81 N ATOM 870 CA LEU B 75 -9.495 -10.772 0.421 1.00 0.74 C ATOM 871 C LEU B 75 -8.954 -9.514 1.097 1.00 0.62 C ATOM 872 O LEU B 75 -8.082 -8.850 0.576 1.00 0.52 O ATOM 873 CB LEU B 75 -10.890 -10.484 -0.145 1.00 0.87 C ATOM 874 CG LEU B 75 -10.764 -9.948 -1.575 1.00 1.11 C ATOM 875 CD1 LEU B 75 -12.085 -9.305 -2.001 1.00 1.02 C ATOM 876 CD2 LEU B 75 -9.649 -8.900 -1.638 1.00 1.63 C ATOM 0 H LEU B 75 -10.506 -12.126 1.726 1.00 0.81 H new ATOM 0 HA LEU B 75 -8.833 -11.067 -0.393 1.00 0.74 H new ATOM 0 HB2 LEU B 75 -11.491 -11.393 -0.138 1.00 0.87 H new ATOM 0 HB3 LEU B 75 -11.405 -9.757 0.483 1.00 0.87 H new ATOM 0 HG LEU B 75 -10.526 -10.773 -2.246 1.00 1.11 H new ATOM 0 HD11 LEU B 75 -11.993 -8.924 -3.018 1.00 1.02 H new ATOM 0 HD12 LEU B 75 -12.881 -10.049 -1.962 1.00 1.02 H new ATOM 0 HD13 LEU B 75 -12.324 -8.483 -1.326 1.00 1.02 H new ATOM 0 HD21 LEU B 75 -9.563 -8.521 -2.656 1.00 1.63 H new ATOM 0 HD22 LEU B 75 -9.885 -8.077 -0.964 1.00 1.63 H new ATOM 0 HD23 LEU B 75 -8.705 -9.355 -1.339 1.00 1.63 H new ATOM 888 N ILE B 76 -9.464 -9.173 2.250 1.00 0.66 N ATOM 889 CA ILE B 76 -8.959 -7.949 2.930 1.00 0.59 C ATOM 890 C ILE B 76 -7.450 -8.093 3.120 1.00 0.48 C ATOM 891 O ILE B 76 -6.682 -7.209 2.791 1.00 0.39 O ATOM 892 CB ILE B 76 -9.628 -7.796 4.303 1.00 0.70 C ATOM 893 CG1 ILE B 76 -11.141 -8.019 4.185 1.00 0.89 C ATOM 894 CG2 ILE B 76 -9.366 -6.387 4.840 1.00 0.73 C ATOM 895 CD1 ILE B 76 -11.769 -7.987 5.579 1.00 1.02 C ATOM 0 H ILE B 76 -10.198 -9.681 2.743 1.00 0.66 H new ATOM 0 HA ILE B 76 -9.188 -7.071 2.326 1.00 0.59 H new ATOM 0 HB ILE B 76 -9.211 -8.538 4.984 1.00 0.70 H new ATOM 0 HG12 ILE B 76 -11.585 -7.248 3.556 1.00 0.89 H new ATOM 0 HG13 ILE B 76 -11.342 -8.977 3.705 1.00 0.89 H new ATOM 0 HG21 ILE B 76 -9.840 -6.275 5.815 1.00 0.73 H new ATOM 0 HG22 ILE B 76 -8.292 -6.229 4.938 1.00 0.73 H new ATOM 0 HG23 ILE B 76 -9.779 -5.652 4.149 1.00 0.73 H new ATOM 0 HD11 ILE B 76 -12.844 -8.145 5.497 1.00 1.02 H new ATOM 0 HD12 ILE B 76 -11.332 -8.774 6.193 1.00 1.02 H new ATOM 0 HD13 ILE B 76 -11.579 -7.018 6.042 1.00 1.02 H new ATOM 907 N ILE B 77 -7.016 -9.218 3.622 1.00 0.51 N ATOM 908 CA ILE B 77 -5.557 -9.433 3.800 1.00 0.45 C ATOM 909 C ILE B 77 -4.866 -9.285 2.443 1.00 0.35 C ATOM 910 O ILE B 77 -3.861 -8.616 2.311 1.00 0.30 O ATOM 911 CB ILE B 77 -5.309 -10.839 4.355 1.00 0.52 C ATOM 912 CG1 ILE B 77 -5.691 -10.875 5.835 1.00 1.19 C ATOM 913 CG2 ILE B 77 -3.829 -11.198 4.203 1.00 1.41 C ATOM 914 CD1 ILE B 77 -5.357 -12.250 6.417 1.00 1.86 C ATOM 0 H ILE B 77 -7.610 -9.994 3.915 1.00 0.51 H new ATOM 0 HA ILE B 77 -5.157 -8.699 4.499 1.00 0.45 H new ATOM 0 HB ILE B 77 -5.914 -11.558 3.803 1.00 0.52 H new ATOM 0 HG12 ILE B 77 -5.153 -10.098 6.379 1.00 1.19 H new ATOM 0 HG13 ILE B 77 -6.755 -10.668 5.952 1.00 1.19 H new ATOM 0 HG21 ILE B 77 -3.655 -12.199 4.599 1.00 1.41 H new ATOM 0 HG22 ILE B 77 -3.555 -11.172 3.148 1.00 1.41 H new ATOM 0 HG23 ILE B 77 -3.222 -10.479 4.754 1.00 1.41 H new ATOM 0 HD11 ILE B 77 -5.630 -12.275 7.472 1.00 1.86 H new ATOM 0 HD12 ILE B 77 -5.915 -13.018 5.880 1.00 1.86 H new ATOM 0 HD13 ILE B 77 -4.288 -12.439 6.314 1.00 1.86 H new ATOM 926 N PHE B 78 -5.404 -9.922 1.436 1.00 0.37 N ATOM 927 CA PHE B 78 -4.789 -9.843 0.080 1.00 0.34 C ATOM 928 C PHE B 78 -4.694 -8.386 -0.374 1.00 0.29 C ATOM 929 O PHE B 78 -3.669 -7.946 -0.855 1.00 0.27 O ATOM 930 CB PHE B 78 -5.646 -10.624 -0.921 1.00 0.44 C ATOM 931 CG PHE B 78 -5.314 -12.095 -0.835 1.00 1.05 C ATOM 932 CD1 PHE B 78 -5.042 -12.682 0.406 1.00 1.97 C ATOM 933 CD2 PHE B 78 -5.277 -12.871 -1.999 1.00 1.80 C ATOM 934 CE1 PHE B 78 -4.735 -14.046 0.483 1.00 2.71 C ATOM 935 CE2 PHE B 78 -4.970 -14.234 -1.922 1.00 2.57 C ATOM 936 CZ PHE B 78 -4.699 -14.823 -0.682 1.00 2.81 C ATOM 0 H PHE B 78 -6.246 -10.495 1.496 1.00 0.37 H new ATOM 0 HA PHE B 78 -3.788 -10.272 0.125 1.00 0.34 H new ATOM 0 HB2 PHE B 78 -6.704 -10.467 -0.710 1.00 0.44 H new ATOM 0 HB3 PHE B 78 -5.465 -10.259 -1.932 1.00 0.44 H new ATOM 0 HD1 PHE B 78 -5.069 -12.083 1.304 1.00 1.97 H new ATOM 0 HD2 PHE B 78 -5.485 -12.418 -2.957 1.00 1.80 H new ATOM 0 HE1 PHE B 78 -4.526 -14.499 1.441 1.00 2.71 H new ATOM 0 HE2 PHE B 78 -4.942 -14.832 -2.821 1.00 2.57 H new ATOM 0 HZ PHE B 78 -4.462 -15.875 -0.623 1.00 2.81 H new ATOM 946 N GLY B 79 -5.753 -7.633 -0.239 1.00 0.30 N ATOM 947 CA GLY B 79 -5.702 -6.211 -0.683 1.00 0.28 C ATOM 948 C GLY B 79 -4.571 -5.487 0.045 1.00 0.22 C ATOM 949 O GLY B 79 -3.772 -4.801 -0.561 1.00 0.23 O ATOM 0 H GLY B 79 -6.643 -7.938 0.156 1.00 0.30 H new ATOM 0 HA2 GLY B 79 -5.545 -6.161 -1.760 1.00 0.28 H new ATOM 0 HA3 GLY B 79 -6.653 -5.721 -0.477 1.00 0.28 H new ATOM 953 N VAL B 80 -4.483 -5.638 1.339 1.00 0.22 N ATOM 954 CA VAL B 80 -3.386 -4.959 2.081 1.00 0.23 C ATOM 955 C VAL B 80 -2.041 -5.411 1.503 1.00 0.22 C ATOM 956 O VAL B 80 -1.173 -4.610 1.204 1.00 0.23 O ATOM 957 CB VAL B 80 -3.478 -5.326 3.563 1.00 0.27 C ATOM 958 CG1 VAL B 80 -2.315 -4.685 4.323 1.00 0.33 C ATOM 959 CG2 VAL B 80 -4.805 -4.806 4.127 1.00 0.30 C ATOM 0 H VAL B 80 -5.118 -6.197 1.909 1.00 0.22 H new ATOM 0 HA VAL B 80 -3.474 -3.877 1.979 1.00 0.23 H new ATOM 0 HB VAL B 80 -3.429 -6.409 3.676 1.00 0.27 H new ATOM 0 HG11 VAL B 80 -2.382 -4.947 5.379 1.00 0.33 H new ATOM 0 HG12 VAL B 80 -1.371 -5.049 3.918 1.00 0.33 H new ATOM 0 HG13 VAL B 80 -2.363 -3.601 4.215 1.00 0.33 H new ATOM 0 HG21 VAL B 80 -4.877 -5.064 5.184 1.00 0.30 H new ATOM 0 HG22 VAL B 80 -4.849 -3.723 4.014 1.00 0.30 H new ATOM 0 HG23 VAL B 80 -5.634 -5.261 3.585 1.00 0.30 H new ATOM 969 N MET B 81 -1.873 -6.695 1.327 1.00 0.22 N ATOM 970 CA MET B 81 -0.602 -7.218 0.752 1.00 0.23 C ATOM 971 C MET B 81 -0.361 -6.589 -0.620 1.00 0.24 C ATOM 972 O MET B 81 0.723 -6.133 -0.927 1.00 0.25 O ATOM 973 CB MET B 81 -0.695 -8.738 0.608 1.00 0.26 C ATOM 974 CG MET B 81 -0.639 -9.387 1.992 1.00 0.32 C ATOM 975 SD MET B 81 -0.002 -11.074 1.843 1.00 1.15 S ATOM 976 CE MET B 81 -1.532 -11.843 1.257 1.00 1.83 C ATOM 0 H MET B 81 -2.566 -7.407 1.559 1.00 0.22 H new ATOM 0 HA MET B 81 0.225 -6.965 1.415 1.00 0.23 H new ATOM 0 HB2 MET B 81 -1.623 -9.010 0.105 1.00 0.26 H new ATOM 0 HB3 MET B 81 0.123 -9.106 -0.011 1.00 0.26 H new ATOM 0 HG2 MET B 81 0.001 -8.803 2.654 1.00 0.32 H new ATOM 0 HG3 MET B 81 -1.633 -9.400 2.439 1.00 0.32 H new ATOM 0 HE1 MET B 81 -1.756 -12.718 1.867 1.00 1.83 H new ATOM 0 HE2 MET B 81 -2.351 -11.128 1.334 1.00 1.83 H new ATOM 0 HE3 MET B 81 -1.412 -12.146 0.217 1.00 1.83 H new ATOM 986 N ALA B 82 -1.368 -6.571 -1.451 1.00 0.25 N ATOM 987 CA ALA B 82 -1.207 -5.984 -2.809 1.00 0.27 C ATOM 988 C ALA B 82 -0.736 -4.531 -2.700 1.00 0.26 C ATOM 989 O ALA B 82 0.175 -4.121 -3.390 1.00 0.27 O ATOM 990 CB ALA B 82 -2.534 -6.062 -3.581 1.00 0.31 C ATOM 0 H ALA B 82 -2.297 -6.939 -1.246 1.00 0.25 H new ATOM 0 HA ALA B 82 -0.455 -6.554 -3.354 1.00 0.27 H new ATOM 0 HB1 ALA B 82 -2.404 -5.630 -4.573 1.00 0.31 H new ATOM 0 HB2 ALA B 82 -2.839 -7.104 -3.677 1.00 0.31 H new ATOM 0 HB3 ALA B 82 -3.302 -5.508 -3.041 1.00 0.31 H new ATOM 996 N GLY B 83 -1.337 -3.736 -1.848 1.00 0.25 N ATOM 997 CA GLY B 83 -0.891 -2.321 -1.737 1.00 0.26 C ATOM 998 C GLY B 83 0.599 -2.288 -1.395 1.00 0.24 C ATOM 999 O GLY B 83 1.370 -1.576 -2.009 1.00 0.24 O ATOM 0 H GLY B 83 -2.106 -4.005 -1.234 1.00 0.25 H new ATOM 0 HA2 GLY B 83 -1.073 -1.795 -2.674 1.00 0.26 H new ATOM 0 HA3 GLY B 83 -1.465 -1.806 -0.966 1.00 0.26 H new ATOM 1003 N VAL B 84 1.016 -3.061 -0.429 1.00 0.22 N ATOM 1004 CA VAL B 84 2.464 -3.067 -0.071 1.00 0.21 C ATOM 1005 C VAL B 84 3.294 -3.440 -1.306 1.00 0.21 C ATOM 1006 O VAL B 84 4.273 -2.793 -1.627 1.00 0.21 O ATOM 1007 CB VAL B 84 2.710 -4.094 1.037 1.00 0.23 C ATOM 1008 CG1 VAL B 84 4.180 -4.055 1.453 1.00 0.28 C ATOM 1009 CG2 VAL B 84 1.831 -3.761 2.245 1.00 0.31 C ATOM 0 H VAL B 84 0.424 -3.682 0.123 1.00 0.22 H new ATOM 0 HA VAL B 84 2.757 -2.077 0.278 1.00 0.21 H new ATOM 0 HB VAL B 84 2.463 -5.090 0.669 1.00 0.23 H new ATOM 0 HG11 VAL B 84 4.354 -4.787 2.242 1.00 0.28 H new ATOM 0 HG12 VAL B 84 4.808 -4.291 0.594 1.00 0.28 H new ATOM 0 HG13 VAL B 84 4.428 -3.059 1.820 1.00 0.28 H new ATOM 0 HG21 VAL B 84 2.006 -4.492 3.035 1.00 0.31 H new ATOM 0 HG22 VAL B 84 2.079 -2.765 2.612 1.00 0.31 H new ATOM 0 HG23 VAL B 84 0.782 -3.789 1.950 1.00 0.31 H new ATOM 1019 N ILE B 85 2.908 -4.477 -2.001 1.00 0.23 N ATOM 1020 CA ILE B 85 3.667 -4.896 -3.214 1.00 0.25 C ATOM 1021 C ILE B 85 3.737 -3.742 -4.218 1.00 0.26 C ATOM 1022 O ILE B 85 4.782 -3.444 -4.762 1.00 0.26 O ATOM 1023 CB ILE B 85 2.970 -6.092 -3.864 1.00 0.30 C ATOM 1024 CG1 ILE B 85 3.157 -7.328 -2.982 1.00 0.32 C ATOM 1025 CG2 ILE B 85 3.584 -6.354 -5.242 1.00 0.40 C ATOM 1026 CD1 ILE B 85 2.543 -8.547 -3.674 1.00 1.06 C ATOM 0 H ILE B 85 2.096 -5.054 -1.779 1.00 0.23 H new ATOM 0 HA ILE B 85 4.679 -5.174 -2.920 1.00 0.25 H new ATOM 0 HB ILE B 85 1.907 -5.878 -3.974 1.00 0.30 H new ATOM 0 HG12 ILE B 85 4.217 -7.498 -2.796 1.00 0.32 H new ATOM 0 HG13 ILE B 85 2.685 -7.171 -2.012 1.00 0.32 H new ATOM 0 HG21 ILE B 85 3.087 -7.206 -5.705 1.00 0.40 H new ATOM 0 HG22 ILE B 85 3.456 -5.473 -5.871 1.00 0.40 H new ATOM 0 HG23 ILE B 85 4.647 -6.569 -5.132 1.00 0.40 H new ATOM 0 HD11 ILE B 85 2.676 -9.428 -3.046 1.00 1.06 H new ATOM 0 HD12 ILE B 85 1.479 -8.375 -3.837 1.00 1.06 H new ATOM 0 HD13 ILE B 85 3.036 -8.708 -4.633 1.00 1.06 H new ATOM 1038 N GLY B 86 2.630 -3.098 -4.483 1.00 0.27 N ATOM 1039 CA GLY B 86 2.640 -1.978 -5.466 1.00 0.30 C ATOM 1040 C GLY B 86 3.653 -0.918 -5.035 1.00 0.27 C ATOM 1041 O GLY B 86 4.450 -0.455 -5.826 1.00 0.29 O ATOM 0 H GLY B 86 1.723 -3.299 -4.062 1.00 0.27 H new ATOM 0 HA2 GLY B 86 2.894 -2.354 -6.457 1.00 0.30 H new ATOM 0 HA3 GLY B 86 1.646 -1.536 -5.538 1.00 0.30 H new ATOM 1045 N THR B 87 3.635 -0.529 -3.791 1.00 0.24 N ATOM 1046 CA THR B 87 4.609 0.501 -3.332 1.00 0.24 C ATOM 1047 C THR B 87 6.031 0.011 -3.612 1.00 0.24 C ATOM 1048 O THR B 87 6.854 0.731 -4.144 1.00 0.28 O ATOM 1049 CB THR B 87 4.434 0.733 -1.828 1.00 0.25 C ATOM 1050 OG1 THR B 87 3.204 1.404 -1.596 1.00 0.32 O ATOM 1051 CG2 THR B 87 5.592 1.583 -1.302 1.00 0.28 C ATOM 0 H THR B 87 2.994 -0.876 -3.077 1.00 0.24 H new ATOM 0 HA THR B 87 4.433 1.435 -3.865 1.00 0.24 H new ATOM 0 HB THR B 87 4.428 -0.226 -1.309 1.00 0.25 H new ATOM 0 HG1 THR B 87 2.535 0.761 -1.281 1.00 0.32 H new ATOM 0 HG21 THR B 87 5.466 1.747 -0.232 1.00 0.28 H new ATOM 0 HG22 THR B 87 6.534 1.065 -1.481 1.00 0.28 H new ATOM 0 HG23 THR B 87 5.602 2.543 -1.818 1.00 0.28 H new ATOM 1059 N ILE B 88 6.323 -1.211 -3.260 1.00 0.23 N ATOM 1060 CA ILE B 88 7.689 -1.752 -3.506 1.00 0.29 C ATOM 1061 C ILE B 88 8.021 -1.663 -4.999 1.00 0.33 C ATOM 1062 O ILE B 88 9.086 -1.220 -5.384 1.00 0.40 O ATOM 1063 CB ILE B 88 7.745 -3.213 -3.054 1.00 0.33 C ATOM 1064 CG1 ILE B 88 7.412 -3.293 -1.561 1.00 0.34 C ATOM 1065 CG2 ILE B 88 9.149 -3.769 -3.293 1.00 0.40 C ATOM 1066 CD1 ILE B 88 7.540 -4.741 -1.084 1.00 0.41 C ATOM 0 H ILE B 88 5.674 -1.858 -2.812 1.00 0.23 H new ATOM 0 HA ILE B 88 8.416 -1.167 -2.943 1.00 0.29 H new ATOM 0 HB ILE B 88 7.023 -3.799 -3.623 1.00 0.33 H new ATOM 0 HG12 ILE B 88 8.086 -2.651 -0.993 1.00 0.34 H new ATOM 0 HG13 ILE B 88 6.400 -2.929 -1.384 1.00 0.34 H new ATOM 0 HG21 ILE B 88 9.188 -4.810 -2.971 1.00 0.40 H new ATOM 0 HG22 ILE B 88 9.388 -3.709 -4.355 1.00 0.40 H new ATOM 0 HG23 ILE B 88 9.873 -3.186 -2.724 1.00 0.40 H new ATOM 0 HD11 ILE B 88 7.303 -4.796 -0.022 1.00 0.41 H new ATOM 0 HD12 ILE B 88 6.848 -5.371 -1.644 1.00 0.41 H new ATOM 0 HD13 ILE B 88 8.560 -5.089 -1.247 1.00 0.41 H new ATOM 1078 N LEU B 89 7.118 -2.083 -5.843 1.00 0.33 N ATOM 1079 CA LEU B 89 7.379 -2.028 -7.308 1.00 0.41 C ATOM 1080 C LEU B 89 7.697 -0.583 -7.719 1.00 0.44 C ATOM 1081 O LEU B 89 8.641 -0.326 -8.439 1.00 0.51 O ATOM 1082 CB LEU B 89 6.144 -2.577 -8.059 1.00 0.44 C ATOM 1083 CG LEU B 89 5.647 -1.590 -9.124 1.00 0.76 C ATOM 1084 CD1 LEU B 89 6.656 -1.526 -10.273 1.00 1.14 C ATOM 1085 CD2 LEU B 89 4.294 -2.060 -9.662 1.00 1.06 C ATOM 0 H LEU B 89 6.209 -2.463 -5.579 1.00 0.33 H new ATOM 0 HA LEU B 89 8.240 -2.644 -7.567 1.00 0.41 H new ATOM 0 HB2 LEU B 89 6.397 -3.526 -8.531 1.00 0.44 H new ATOM 0 HB3 LEU B 89 5.344 -2.778 -7.347 1.00 0.44 H new ATOM 0 HG LEU B 89 5.539 -0.601 -8.679 1.00 0.76 H new ATOM 0 HD11 LEU B 89 6.302 -0.825 -11.029 1.00 1.14 H new ATOM 0 HD12 LEU B 89 7.621 -1.192 -9.892 1.00 1.14 H new ATOM 0 HD13 LEU B 89 6.764 -2.515 -10.718 1.00 1.14 H new ATOM 0 HD21 LEU B 89 3.940 -1.360 -10.419 1.00 1.06 H new ATOM 0 HD22 LEU B 89 4.403 -3.049 -10.106 1.00 1.06 H new ATOM 0 HD23 LEU B 89 3.574 -2.106 -8.845 1.00 1.06 H new ATOM 1097 N LEU B 90 6.911 0.359 -7.273 1.00 0.40 N ATOM 1098 CA LEU B 90 7.169 1.781 -7.650 1.00 0.47 C ATOM 1099 C LEU B 90 8.587 2.172 -7.229 1.00 0.51 C ATOM 1100 O LEU B 90 9.333 2.752 -7.994 1.00 0.60 O ATOM 1101 CB LEU B 90 6.159 2.689 -6.942 1.00 0.47 C ATOM 1102 CG LEU B 90 6.573 4.152 -7.117 1.00 1.14 C ATOM 1103 CD1 LEU B 90 6.573 4.512 -8.603 1.00 2.02 C ATOM 1104 CD2 LEU B 90 5.583 5.054 -6.375 1.00 1.67 C ATOM 0 H LEU B 90 6.105 0.208 -6.667 1.00 0.40 H new ATOM 0 HA LEU B 90 7.066 1.894 -8.729 1.00 0.47 H new ATOM 0 HB2 LEU B 90 5.162 2.531 -7.353 1.00 0.47 H new ATOM 0 HB3 LEU B 90 6.110 2.439 -5.882 1.00 0.47 H new ATOM 0 HG LEU B 90 7.574 4.295 -6.710 1.00 1.14 H new ATOM 0 HD11 LEU B 90 6.868 5.554 -8.725 1.00 2.02 H new ATOM 0 HD12 LEU B 90 7.278 3.871 -9.133 1.00 2.02 H new ATOM 0 HD13 LEU B 90 5.573 4.368 -9.012 1.00 2.02 H new ATOM 0 HD21 LEU B 90 5.877 6.096 -6.499 1.00 1.67 H new ATOM 0 HD22 LEU B 90 4.582 4.908 -6.782 1.00 1.67 H new ATOM 0 HD23 LEU B 90 5.584 4.800 -5.315 1.00 1.67 H new ATOM 1116 N ILE B 91 8.968 1.861 -6.021 1.00 0.47 N ATOM 1117 CA ILE B 91 10.340 2.217 -5.562 1.00 0.57 C ATOM 1118 C ILE B 91 11.373 1.598 -6.500 1.00 0.65 C ATOM 1119 O ILE B 91 12.299 2.255 -6.932 1.00 0.77 O ATOM 1120 CB ILE B 91 10.557 1.693 -4.140 1.00 0.55 C ATOM 1121 CG1 ILE B 91 9.582 2.391 -3.189 1.00 0.51 C ATOM 1122 CG2 ILE B 91 11.992 1.983 -3.701 1.00 0.66 C ATOM 1123 CD1 ILE B 91 9.857 1.938 -1.754 1.00 0.54 C ATOM 0 H ILE B 91 8.391 1.377 -5.333 1.00 0.47 H new ATOM 0 HA ILE B 91 10.453 3.301 -5.569 1.00 0.57 H new ATOM 0 HB ILE B 91 10.383 0.617 -4.118 1.00 0.55 H new ATOM 0 HG12 ILE B 91 9.692 3.473 -3.268 1.00 0.51 H new ATOM 0 HG13 ILE B 91 8.555 2.154 -3.466 1.00 0.51 H new ATOM 0 HG21 ILE B 91 12.145 1.610 -2.689 1.00 0.66 H new ATOM 0 HG22 ILE B 91 12.687 1.488 -4.379 1.00 0.66 H new ATOM 0 HG23 ILE B 91 12.168 3.058 -3.722 1.00 0.66 H new ATOM 0 HD11 ILE B 91 9.163 2.435 -1.076 1.00 0.54 H new ATOM 0 HD12 ILE B 91 9.725 0.858 -1.682 1.00 0.54 H new ATOM 0 HD13 ILE B 91 10.880 2.197 -1.480 1.00 0.54 H new ATOM 1135 N SER B 92 11.231 0.342 -6.825 1.00 0.63 N ATOM 1136 CA SER B 92 12.224 -0.286 -7.737 1.00 0.76 C ATOM 1137 C SER B 92 12.270 0.507 -9.044 1.00 0.83 C ATOM 1138 O SER B 92 13.327 0.858 -9.530 1.00 0.95 O ATOM 1139 CB SER B 92 11.811 -1.729 -8.028 1.00 0.74 C ATOM 1140 OG SER B 92 10.938 -2.183 -7.002 1.00 1.53 O ATOM 0 H SER B 92 10.480 -0.268 -6.503 1.00 0.63 H new ATOM 0 HA SER B 92 13.208 -0.283 -7.269 1.00 0.76 H new ATOM 0 HB2 SER B 92 11.315 -1.789 -8.997 1.00 0.74 H new ATOM 0 HB3 SER B 92 12.692 -2.368 -8.081 1.00 0.74 H new ATOM 0 HG SER B 92 10.670 -3.107 -7.186 1.00 1.53 H new ATOM 1146 N TYR B 93 11.132 0.806 -9.611 1.00 0.77 N ATOM 1147 CA TYR B 93 11.122 1.592 -10.876 1.00 0.87 C ATOM 1148 C TYR B 93 11.842 2.927 -10.657 1.00 0.94 C ATOM 1149 O TYR B 93 12.677 3.330 -11.443 1.00 1.07 O ATOM 1150 CB TYR B 93 9.680 1.857 -11.312 1.00 0.83 C ATOM 1151 CG TYR B 93 9.648 2.113 -12.800 1.00 1.09 C ATOM 1152 CD1 TYR B 93 10.065 1.116 -13.691 1.00 1.74 C ATOM 1153 CD2 TYR B 93 9.207 3.349 -13.289 1.00 1.68 C ATOM 1154 CE1 TYR B 93 10.041 1.355 -15.071 1.00 1.99 C ATOM 1155 CE2 TYR B 93 9.182 3.587 -14.668 1.00 2.03 C ATOM 1156 CZ TYR B 93 9.599 2.590 -15.559 1.00 1.84 C ATOM 1157 OH TYR B 93 9.575 2.825 -16.919 1.00 2.25 O ATOM 0 H TYR B 93 10.214 0.541 -9.254 1.00 0.77 H new ATOM 0 HA TYR B 93 11.634 1.024 -11.653 1.00 0.87 H new ATOM 0 HB2 TYR B 93 9.050 1.002 -11.065 1.00 0.83 H new ATOM 0 HB3 TYR B 93 9.277 2.716 -10.775 1.00 0.83 H new ATOM 0 HD1 TYR B 93 10.405 0.163 -13.314 1.00 1.74 H new ATOM 0 HD2 TYR B 93 8.886 4.118 -12.602 1.00 1.68 H new ATOM 0 HE1 TYR B 93 10.363 0.587 -15.758 1.00 1.99 H new ATOM 0 HE2 TYR B 93 8.841 4.540 -15.045 1.00 2.03 H new ATOM 0 HH TYR B 93 9.241 3.731 -17.089 1.00 2.25 H new ATOM 1167 N GLY B 94 11.520 3.618 -9.593 1.00 0.88 N ATOM 1168 CA GLY B 94 12.181 4.925 -9.321 1.00 0.98 C ATOM 1169 C GLY B 94 13.694 4.732 -9.248 1.00 1.10 C ATOM 1170 O GLY B 94 14.454 5.469 -9.843 1.00 1.24 O ATOM 0 H GLY B 94 10.827 3.331 -8.902 1.00 0.88 H new ATOM 0 HA2 GLY B 94 11.933 5.639 -10.107 1.00 0.98 H new ATOM 0 HA3 GLY B 94 11.812 5.342 -8.384 1.00 0.98 H new ATOM 1174 N ILE B 95 14.139 3.744 -8.521 1.00 1.07 N ATOM 1175 CA ILE B 95 15.611 3.511 -8.415 1.00 1.22 C ATOM 1176 C ILE B 95 16.193 3.315 -9.820 1.00 1.34 C ATOM 1177 O ILE B 95 17.201 3.898 -10.170 1.00 1.50 O ATOM 1178 CB ILE B 95 15.877 2.264 -7.552 1.00 1.20 C ATOM 1179 CG1 ILE B 95 15.850 2.657 -6.072 1.00 1.37 C ATOM 1180 CG2 ILE B 95 17.252 1.674 -7.884 1.00 1.50 C ATOM 1181 CD1 ILE B 95 14.889 1.739 -5.315 1.00 1.81 C ATOM 0 H ILE B 95 13.554 3.092 -7.999 1.00 1.07 H new ATOM 0 HA ILE B 95 16.087 4.372 -7.945 1.00 1.22 H new ATOM 0 HB ILE B 95 15.107 1.521 -7.758 1.00 1.20 H new ATOM 0 HG12 ILE B 95 16.851 2.582 -5.647 1.00 1.37 H new ATOM 0 HG13 ILE B 95 15.536 3.695 -5.967 1.00 1.37 H new ATOM 0 HG21 ILE B 95 17.428 0.793 -7.267 1.00 1.50 H new ATOM 0 HG22 ILE B 95 17.283 1.392 -8.937 1.00 1.50 H new ATOM 0 HG23 ILE B 95 18.024 2.417 -7.685 1.00 1.50 H new ATOM 0 HD11 ILE B 95 14.871 2.020 -4.262 1.00 1.81 H new ATOM 0 HD12 ILE B 95 13.887 1.836 -5.734 1.00 1.81 H new ATOM 0 HD13 ILE B 95 15.223 0.706 -5.409 1.00 1.81 H new ATOM 1193 N ARG B 96 15.571 2.498 -10.626 1.00 1.29 N ATOM 1194 CA ARG B 96 16.099 2.272 -12.004 1.00 1.42 C ATOM 1195 C ARG B 96 16.194 3.609 -12.740 1.00 1.52 C ATOM 1196 O ARG B 96 17.194 3.922 -13.356 1.00 1.68 O ATOM 1197 CB ARG B 96 15.154 1.340 -12.768 1.00 1.36 C ATOM 1198 CG ARG B 96 15.655 1.173 -14.205 1.00 1.61 C ATOM 1199 CD ARG B 96 15.473 -0.280 -14.645 1.00 1.77 C ATOM 1200 NE ARG B 96 14.045 -0.673 -14.483 1.00 1.70 N ATOM 1201 CZ ARG B 96 13.593 -1.750 -15.069 1.00 2.10 C ATOM 1202 NH1 ARG B 96 14.426 -2.637 -15.542 1.00 2.54 N ATOM 1203 NH2 ARG B 96 12.306 -1.938 -15.182 1.00 2.69 N ATOM 0 H ARG B 96 14.724 1.979 -10.393 1.00 1.29 H new ATOM 0 HA ARG B 96 17.088 1.818 -11.942 1.00 1.42 H new ATOM 0 HB2 ARG B 96 15.104 0.370 -12.274 1.00 1.36 H new ATOM 0 HB3 ARG B 96 14.144 1.750 -12.769 1.00 1.36 H new ATOM 0 HG2 ARG B 96 15.106 1.837 -14.872 1.00 1.61 H new ATOM 0 HG3 ARG B 96 16.706 1.454 -14.270 1.00 1.61 H new ATOM 0 HD2 ARG B 96 15.778 -0.397 -15.685 1.00 1.77 H new ATOM 0 HD3 ARG B 96 16.111 -0.934 -14.050 1.00 1.77 H new ATOM 0 HE ARG B 96 13.420 -0.101 -13.915 1.00 1.70 H new ATOM 0 HH11 ARG B 96 15.432 -2.490 -15.454 1.00 2.54 H new ATOM 0 HH12 ARG B 96 14.071 -3.477 -15.999 1.00 2.54 H new ATOM 0 HH21 ARG B 96 11.655 -1.245 -14.813 1.00 2.69 H new ATOM 0 HH22 ARG B 96 11.952 -2.778 -15.639 1.00 2.69 H new ATOM 1217 N ARG B 97 15.160 4.402 -12.682 1.00 1.43 N ATOM 1218 CA ARG B 97 15.187 5.719 -13.377 1.00 1.55 C ATOM 1219 C ARG B 97 16.368 6.554 -12.876 1.00 1.67 C ATOM 1220 O ARG B 97 17.104 7.133 -13.651 1.00 1.83 O ATOM 1221 CB ARG B 97 13.876 6.463 -13.109 1.00 1.45 C ATOM 1222 CG ARG B 97 14.019 7.929 -13.528 1.00 1.62 C ATOM 1223 CD ARG B 97 12.851 8.318 -14.436 1.00 1.72 C ATOM 1224 NE ARG B 97 11.700 8.766 -13.601 1.00 2.17 N ATOM 1225 CZ ARG B 97 10.709 9.413 -14.149 1.00 2.50 C ATOM 1226 NH1 ARG B 97 10.936 10.509 -14.822 1.00 3.17 N ATOM 1227 NH2 ARG B 97 9.489 8.965 -14.025 1.00 2.89 N ATOM 0 H ARG B 97 14.296 4.194 -12.182 1.00 1.43 H new ATOM 0 HA ARG B 97 15.301 5.556 -14.449 1.00 1.55 H new ATOM 0 HB2 ARG B 97 13.061 5.995 -13.662 1.00 1.45 H new ATOM 0 HB3 ARG B 97 13.621 6.400 -12.051 1.00 1.45 H new ATOM 0 HG2 ARG B 97 14.037 8.570 -12.646 1.00 1.62 H new ATOM 0 HG3 ARG B 97 14.964 8.078 -14.050 1.00 1.62 H new ATOM 0 HD2 ARG B 97 13.154 9.115 -15.115 1.00 1.72 H new ATOM 0 HD3 ARG B 97 12.558 7.469 -15.053 1.00 1.72 H new ATOM 0 HE ARG B 97 11.688 8.566 -12.601 1.00 2.17 H new ATOM 0 HH11 ARG B 97 11.889 10.860 -14.919 1.00 3.17 H new ATOM 0 HH12 ARG B 97 10.160 11.014 -15.250 1.00 3.17 H new ATOM 0 HH21 ARG B 97 9.311 8.109 -13.500 1.00 2.89 H new ATOM 0 HH22 ARG B 97 8.714 9.471 -14.454 1.00 2.89 H new ATOM 1241 N LEU B 98 16.549 6.633 -11.587 1.00 1.62 N ATOM 1242 CA LEU B 98 17.677 7.441 -11.042 1.00 1.76 C ATOM 1243 C LEU B 98 18.997 6.941 -11.629 1.00 1.92 C ATOM 1244 O LEU B 98 19.820 7.712 -12.081 1.00 2.09 O ATOM 1245 CB LEU B 98 17.712 7.304 -9.519 1.00 1.69 C ATOM 1246 CG LEU B 98 17.643 8.691 -8.880 1.00 1.72 C ATOM 1247 CD1 LEU B 98 17.672 8.552 -7.358 1.00 1.72 C ATOM 1248 CD2 LEU B 98 18.844 9.522 -9.338 1.00 2.01 C ATOM 0 H LEU B 98 15.966 6.174 -10.888 1.00 1.62 H new ATOM 0 HA LEU B 98 17.535 8.488 -11.311 1.00 1.76 H new ATOM 0 HB2 LEU B 98 16.876 6.693 -9.179 1.00 1.69 H new ATOM 0 HB3 LEU B 98 18.625 6.795 -9.210 1.00 1.69 H new ATOM 0 HG LEU B 98 16.720 9.186 -9.183 1.00 1.72 H new ATOM 0 HD11 LEU B 98 17.623 9.541 -6.901 1.00 1.72 H new ATOM 0 HD12 LEU B 98 16.819 7.958 -7.031 1.00 1.72 H new ATOM 0 HD13 LEU B 98 18.595 8.058 -7.055 1.00 1.72 H new ATOM 0 HD21 LEU B 98 18.796 10.511 -8.883 1.00 2.01 H new ATOM 0 HD22 LEU B 98 19.766 9.027 -9.034 1.00 2.01 H new ATOM 0 HD23 LEU B 98 18.826 9.620 -10.423 1.00 2.01 H new ATOM 1260 N ILE B 99 19.204 5.654 -11.629 1.00 1.89 N ATOM 1261 CA ILE B 99 20.469 5.104 -12.188 1.00 2.07 C ATOM 1262 C ILE B 99 20.456 5.244 -13.710 1.00 2.17 C ATOM 1263 O ILE B 99 21.487 5.228 -14.353 1.00 2.50 O ATOM 1264 CB ILE B 99 20.572 3.625 -11.824 1.00 2.14 C ATOM 1265 CG1 ILE B 99 19.398 2.876 -12.457 1.00 2.13 C ATOM 1266 CG2 ILE B 99 20.519 3.468 -10.303 1.00 2.25 C ATOM 1267 CD1 ILE B 99 19.742 1.390 -12.571 1.00 2.38 C ATOM 0 H ILE B 99 18.551 4.959 -11.266 1.00 1.89 H new ATOM 0 HA ILE B 99 21.319 5.649 -11.778 1.00 2.07 H new ATOM 0 HB ILE B 99 21.513 3.218 -12.194 1.00 2.14 H new ATOM 0 HG12 ILE B 99 18.501 3.007 -11.852 1.00 2.13 H new ATOM 0 HG13 ILE B 99 19.180 3.286 -13.443 1.00 2.13 H new ATOM 0 HG21 ILE B 99 20.593 2.412 -10.043 1.00 2.25 H new ATOM 0 HG22 ILE B 99 21.349 4.011 -9.852 1.00 2.25 H new ATOM 0 HG23 ILE B 99 19.577 3.869 -9.928 1.00 2.25 H new ATOM 0 HD11 ILE B 99 18.905 0.856 -13.022 1.00 2.38 H new ATOM 0 HD12 ILE B 99 20.628 1.268 -13.194 1.00 2.38 H new ATOM 0 HD13 ILE B 99 19.938 0.985 -11.578 1.00 2.38 H new ATOM 1279 N LYS B 100 19.296 5.372 -14.292 1.00 2.25 N ATOM 1280 CA LYS B 100 19.218 5.503 -15.772 1.00 2.60 C ATOM 1281 C LYS B 100 18.117 6.499 -16.142 1.00 2.97 C ATOM 1282 O LYS B 100 16.943 6.191 -16.088 1.00 3.27 O ATOM 1283 CB LYS B 100 18.898 4.135 -16.380 1.00 2.80 C ATOM 1284 CG LYS B 100 20.180 3.519 -16.944 1.00 3.38 C ATOM 1285 CD LYS B 100 19.853 2.741 -18.221 1.00 3.94 C ATOM 1286 CE LYS B 100 20.713 1.478 -18.285 1.00 4.56 C ATOM 1287 NZ LYS B 100 19.849 0.302 -18.581 1.00 5.22 N ATOM 0 H LYS B 100 18.399 5.391 -13.806 1.00 2.25 H new ATOM 0 HA LYS B 100 20.171 5.863 -16.159 1.00 2.60 H new ATOM 0 HB2 LYS B 100 18.469 3.479 -15.623 1.00 2.80 H new ATOM 0 HB3 LYS B 100 18.154 4.240 -17.169 1.00 2.80 H new ATOM 0 HG2 LYS B 100 20.908 4.301 -17.158 1.00 3.38 H new ATOM 0 HG3 LYS B 100 20.632 2.856 -16.207 1.00 3.38 H new ATOM 0 HD2 LYS B 100 18.796 2.475 -18.236 1.00 3.94 H new ATOM 0 HD3 LYS B 100 20.038 3.364 -19.096 1.00 3.94 H new ATOM 0 HE2 LYS B 100 21.477 1.584 -19.055 1.00 4.56 H new ATOM 0 HE3 LYS B 100 21.233 1.331 -17.338 1.00 4.56 H new ATOM 0 HZ1 LYS B 100 20.434 -0.557 -18.624 1.00 5.22 H new ATOM 0 HZ2 LYS B 100 19.136 0.197 -17.831 1.00 5.22 H new ATOM 0 HZ3 LYS B 100 19.372 0.443 -19.495 1.00 5.22 H new ATOM 1301 N LYS B 101 18.488 7.691 -16.522 1.00 3.27 N ATOM 1302 CA LYS B 101 17.463 8.706 -16.896 1.00 3.83 C ATOM 1303 C LYS B 101 16.366 8.739 -15.831 1.00 4.00 C ATOM 1304 O LYS B 101 16.648 9.189 -14.732 1.00 4.36 O ATOM 1305 CB LYS B 101 16.850 8.337 -18.249 1.00 4.43 C ATOM 1306 CG LYS B 101 17.460 9.214 -19.345 1.00 5.03 C ATOM 1307 CD LYS B 101 16.487 10.339 -19.703 1.00 5.77 C ATOM 1308 CE LYS B 101 15.465 9.828 -20.721 1.00 6.68 C ATOM 1309 NZ LYS B 101 15.828 10.319 -22.080 1.00 7.38 N ATOM 1310 OXT LYS B 101 15.262 8.313 -16.132 1.00 4.28 O ATOM 0 H LYS B 101 19.456 8.006 -16.590 1.00 3.27 H new ATOM 0 HA LYS B 101 17.932 9.688 -16.965 1.00 3.83 H new ATOM 0 HB2 LYS B 101 17.032 7.285 -18.467 1.00 4.43 H new ATOM 0 HB3 LYS B 101 15.769 8.474 -18.219 1.00 4.43 H new ATOM 0 HG2 LYS B 101 18.407 9.633 -19.005 1.00 5.03 H new ATOM 0 HG3 LYS B 101 17.677 8.612 -20.228 1.00 5.03 H new ATOM 0 HD2 LYS B 101 15.977 10.692 -18.806 1.00 5.77 H new ATOM 0 HD3 LYS B 101 17.032 11.188 -20.115 1.00 5.77 H new ATOM 0 HE2 LYS B 101 15.440 8.738 -20.711 1.00 6.68 H new ATOM 0 HE3 LYS B 101 14.466 10.172 -20.453 1.00 6.68 H new ATOM 0 HZ1 LYS B 101 15.133 9.972 -22.772 1.00 7.38 H new ATOM 0 HZ2 LYS B 101 15.830 11.359 -22.084 1.00 7.38 H new ATOM 0 HZ3 LYS B 101 16.774 9.970 -22.334 1.00 7.38 H new TER 1324 LYS B 101