USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 642 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= -0.386 X(o=-0.39,f=-0.52) USER MOD Single : A 66 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.0042) USER MOD Single : A 67 HIS : no HD1:sc= -0.245 X(o=-0.24,f=-0.23) USER MOD Single : A 69 SER OG : rot 180:sc= -0.73 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 -39:sc= -2.17! USER MOD Single : A 92 SER OG : rot -60:sc= 1.27 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 63 GLN : amide:sc= -0.72 X(o=-0.72,f=-1.2) USER MOD Single : B 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 67 HIS : no HD1:sc= -0.0629 X(o=-0.063,f=-0.016) USER MOD Single : B 69 SER OG : rot 180:sc= 0.128 USER MOD Single : B 74 THR OG1 : rot 92:sc= 1.26 USER MOD Single : B 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 THR OG1 : rot -37:sc= -3.05! USER MOD Single : B 92 SER OG : rot 180:sc= 0 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 61 -2.347 -14.460 3.923 1.00 0.00 N ATOM 2 CA ARG A 61 -2.030 -15.742 3.305 1.00 0.00 C ATOM 3 C ARG A 61 -0.745 -15.649 2.488 1.00 0.00 C ATOM 4 O ARG A 61 -0.057 -16.648 2.277 1.00 0.00 O ATOM 5 CB ARG A 61 -3.184 -16.199 2.410 1.00 0.00 C ATOM 6 CG ARG A 61 -3.420 -15.296 1.211 1.00 0.00 C ATOM 7 CD ARG A 61 -4.370 -15.934 0.210 1.00 0.00 C ATOM 8 NE ARG A 61 -5.693 -16.168 0.784 1.00 0.00 N ATOM 9 CZ ARG A 61 -6.610 -16.948 0.222 1.00 0.00 C ATOM 10 NH1 ARG A 61 -6.350 -17.565 -0.922 1.00 0.00 N ATOM 11 NH2 ARG A 61 -7.791 -17.111 0.805 1.00 0.00 N ATOM 0 HA ARG A 61 -1.883 -16.474 4.099 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.981 -17.210 2.058 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.097 -16.246 3.004 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.830 -14.344 1.547 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.469 -15.080 0.724 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.463 -15.289 -0.664 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.952 -16.880 -0.135 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.925 -15.708 1.664 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.444 -17.442 -1.373 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.056 -18.163 -1.351 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.995 -16.637 1.685 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.495 -17.710 0.373 1.00 0.00 H new ATOM 25 N VAL A 62 -0.427 -14.442 2.029 1.00 0.00 N ATOM 26 CA VAL A 62 0.775 -14.218 1.236 1.00 0.00 C ATOM 27 C VAL A 62 1.262 -12.780 1.370 1.00 0.00 C ATOM 28 O VAL A 62 0.468 -11.862 1.572 1.00 0.00 O ATOM 29 CB VAL A 62 0.531 -14.529 -0.253 1.00 0.00 C ATOM 30 CG1 VAL A 62 -0.438 -13.523 -0.856 1.00 0.00 C ATOM 31 CG2 VAL A 62 1.847 -14.539 -1.017 1.00 0.00 C ATOM 0 H VAL A 62 -0.986 -13.605 2.193 1.00 0.00 H new ATOM 0 HA VAL A 62 1.538 -14.894 1.621 1.00 0.00 H new ATOM 0 HB VAL A 62 0.084 -15.520 -0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.599 -13.758 -1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.389 -13.570 -0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.022 -12.519 -0.768 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.656 -14.760 -2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.324 -13.563 -0.933 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.505 -15.301 -0.599 1.00 0.00 H new ATOM 41 N GLN A 63 2.573 -12.591 1.257 1.00 0.00 N ATOM 42 CA GLN A 63 3.166 -11.264 1.367 1.00 0.00 C ATOM 43 C GLN A 63 2.927 -10.455 0.096 1.00 0.00 C ATOM 44 O GLN A 63 2.545 -11.002 -0.939 1.00 0.00 O ATOM 45 CB GLN A 63 4.667 -11.374 1.641 1.00 0.00 C ATOM 46 CG GLN A 63 5.217 -10.233 2.482 1.00 0.00 C ATOM 47 CD GLN A 63 4.509 -10.098 3.816 1.00 0.00 C ATOM 48 OE1 GLN A 63 4.205 -11.094 4.474 1.00 0.00 O ATOM 49 NE2 GLN A 63 4.244 -8.862 4.223 1.00 0.00 N ATOM 0 H GLN A 63 3.244 -13.340 1.089 1.00 0.00 H new ATOM 0 HA GLN A 63 2.689 -10.748 2.200 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.867 -12.318 2.149 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.200 -11.404 0.691 1.00 0.00 H new ATOM 0 HG2 GLN A 63 6.281 -10.394 2.654 1.00 0.00 H new ATOM 0 HG3 GLN A 63 5.121 -9.299 1.928 1.00 0.00 H new ATOM 0 HE21 GLN A 63 4.514 -8.066 3.645 1.00 0.00 H new ATOM 0 HE22 GLN A 63 3.770 -8.709 5.113 1.00 0.00 H new ATOM 58 N LEU A 64 3.154 -9.148 0.182 1.00 0.00 N ATOM 59 CA LEU A 64 2.963 -8.262 -0.961 1.00 0.00 C ATOM 60 C LEU A 64 3.852 -7.028 -0.848 1.00 0.00 C ATOM 61 O LEU A 64 4.734 -6.963 0.007 1.00 0.00 O ATOM 62 CB LEU A 64 1.496 -7.841 -1.065 1.00 0.00 C ATOM 63 CG LEU A 64 0.968 -6.961 0.069 1.00 0.00 C ATOM 64 CD1 LEU A 64 -0.260 -6.187 -0.383 1.00 0.00 C ATOM 65 CD2 LEU A 64 0.648 -7.806 1.294 1.00 0.00 C ATOM 0 H LEU A 64 3.470 -8.679 1.031 1.00 0.00 H new ATOM 0 HA LEU A 64 3.243 -8.807 -1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.358 -7.308 -2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.883 -8.741 -1.115 1.00 0.00 H new ATOM 0 HG LEU A 64 1.744 -6.244 0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.621 -5.567 0.437 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.001 -5.553 -1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.042 -6.886 -0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.274 -7.164 2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.110 -8.546 1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.551 -8.314 1.632 1.00 0.00 H new ATOM 77 N ALA A 65 3.612 -6.051 -1.716 1.00 0.00 N ATOM 78 CA ALA A 65 4.388 -4.817 -1.711 1.00 0.00 C ATOM 79 C ALA A 65 5.796 -5.052 -2.245 1.00 0.00 C ATOM 80 O ALA A 65 6.749 -4.396 -1.822 1.00 0.00 O ATOM 81 CB ALA A 65 4.444 -4.235 -0.307 1.00 0.00 C ATOM 0 H ALA A 65 2.886 -6.090 -2.432 1.00 0.00 H new ATOM 0 HA ALA A 65 3.893 -4.103 -2.369 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.027 -3.314 -0.318 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.433 -4.021 0.039 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.913 -4.953 0.366 1.00 0.00 H new ATOM 87 N HIS A 66 5.922 -5.992 -3.177 1.00 0.00 N ATOM 88 CA HIS A 66 7.216 -6.314 -3.768 1.00 0.00 C ATOM 89 C HIS A 66 7.641 -5.237 -4.762 1.00 0.00 C ATOM 90 O HIS A 66 6.867 -4.336 -5.087 1.00 0.00 O ATOM 91 CB HIS A 66 7.158 -7.673 -4.465 1.00 0.00 C ATOM 92 CG HIS A 66 8.261 -8.602 -4.060 1.00 0.00 C ATOM 93 ND1 HIS A 66 8.960 -9.378 -4.960 1.00 0.00 N ATOM 94 CD2 HIS A 66 8.785 -8.875 -2.842 1.00 0.00 C ATOM 95 CE1 HIS A 66 9.866 -10.090 -4.313 1.00 0.00 C ATOM 96 NE2 HIS A 66 9.781 -9.803 -3.027 1.00 0.00 N ATOM 0 H HIS A 66 5.144 -6.544 -3.539 1.00 0.00 H new ATOM 0 HA HIS A 66 7.954 -6.357 -2.967 1.00 0.00 H new ATOM 0 HB2 HIS A 66 6.199 -8.143 -4.246 1.00 0.00 H new ATOM 0 HB3 HIS A 66 7.200 -7.521 -5.544 1.00 0.00 H new ATOM 0 HD2 HIS A 66 8.478 -8.444 -1.901 1.00 0.00 H new ATOM 0 HE1 HIS A 66 10.558 -10.788 -4.760 1.00 0.00 H new ATOM 0 HE2 HIS A 66 10.361 -10.205 -2.290 1.00 0.00 H new ATOM 104 N HIS A 67 8.877 -5.336 -5.242 1.00 0.00 N ATOM 105 CA HIS A 67 9.405 -4.371 -6.199 1.00 0.00 C ATOM 106 C HIS A 67 10.792 -4.787 -6.681 1.00 0.00 C ATOM 107 O HIS A 67 11.748 -4.017 -6.593 1.00 0.00 O ATOM 108 CB HIS A 67 9.469 -2.979 -5.569 1.00 0.00 C ATOM 109 CG HIS A 67 9.785 -1.892 -6.549 1.00 0.00 C ATOM 110 ND1 HIS A 67 8.930 -1.523 -7.566 1.00 0.00 N ATOM 111 CD2 HIS A 67 10.870 -1.090 -6.663 1.00 0.00 C ATOM 112 CE1 HIS A 67 9.476 -0.543 -8.264 1.00 0.00 C ATOM 113 NE2 HIS A 67 10.653 -0.261 -7.736 1.00 0.00 N ATOM 0 H HIS A 67 9.531 -6.075 -4.984 1.00 0.00 H new ATOM 0 HA HIS A 67 8.734 -4.343 -7.057 1.00 0.00 H new ATOM 0 HB2 HIS A 67 8.513 -2.761 -5.092 1.00 0.00 H new ATOM 0 HB3 HIS A 67 10.224 -2.979 -4.783 1.00 0.00 H new ATOM 0 HD2 HIS A 67 11.744 -1.100 -6.028 1.00 0.00 H new ATOM 0 HE1 HIS A 67 9.035 -0.055 -9.121 1.00 0.00 H new ATOM 0 HE2 HIS A 67 11.296 0.456 -8.071 1.00 0.00 H new ATOM 121 N PHE A 68 10.893 -6.010 -7.191 1.00 0.00 N ATOM 122 CA PHE A 68 12.163 -6.529 -7.686 1.00 0.00 C ATOM 123 C PHE A 68 12.657 -5.714 -8.877 1.00 0.00 C ATOM 124 O PHE A 68 11.963 -4.820 -9.362 1.00 0.00 O ATOM 125 CB PHE A 68 12.016 -7.999 -8.086 1.00 0.00 C ATOM 126 CG PHE A 68 13.106 -8.879 -7.545 1.00 0.00 C ATOM 127 CD1 PHE A 68 13.252 -9.065 -6.180 1.00 0.00 C ATOM 128 CD2 PHE A 68 13.986 -9.521 -8.403 1.00 0.00 C ATOM 129 CE1 PHE A 68 14.254 -9.875 -5.680 1.00 0.00 C ATOM 130 CE2 PHE A 68 14.989 -10.332 -7.908 1.00 0.00 C ATOM 131 CZ PHE A 68 15.125 -10.508 -6.545 1.00 0.00 C ATOM 0 H PHE A 68 10.111 -6.660 -7.272 1.00 0.00 H new ATOM 0 HA PHE A 68 12.897 -6.449 -6.884 1.00 0.00 H new ATOM 0 HB2 PHE A 68 11.053 -8.369 -7.734 1.00 0.00 H new ATOM 0 HB3 PHE A 68 12.007 -8.072 -9.173 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.575 -8.571 -5.499 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.886 -9.386 -9.470 1.00 0.00 H new ATOM 0 HE1 PHE A 68 14.356 -10.013 -4.614 1.00 0.00 H new ATOM 0 HE2 PHE A 68 15.667 -10.828 -8.587 1.00 0.00 H new ATOM 0 HZ PHE A 68 15.911 -11.139 -6.156 1.00 0.00 H new ATOM 141 N SER A 69 13.862 -6.027 -9.342 1.00 0.00 N ATOM 142 CA SER A 69 14.452 -5.321 -10.473 1.00 0.00 C ATOM 143 C SER A 69 13.492 -5.296 -11.659 1.00 0.00 C ATOM 144 O SER A 69 12.832 -6.290 -11.956 1.00 0.00 O ATOM 145 CB SER A 69 15.770 -5.982 -10.883 1.00 0.00 C ATOM 146 OG SER A 69 15.624 -6.702 -12.094 1.00 0.00 O ATOM 0 H SER A 69 14.449 -6.765 -8.953 1.00 0.00 H new ATOM 0 HA SER A 69 14.649 -4.294 -10.166 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.541 -5.221 -11.000 1.00 0.00 H new ATOM 0 HB3 SER A 69 16.104 -6.656 -10.094 1.00 0.00 H new ATOM 0 HG SER A 69 16.480 -7.114 -12.335 1.00 0.00 H new ATOM 152 N GLU A 70 13.422 -4.151 -12.331 1.00 0.00 N ATOM 153 CA GLU A 70 12.543 -3.996 -13.484 1.00 0.00 C ATOM 154 C GLU A 70 13.280 -3.336 -14.646 1.00 0.00 C ATOM 155 O GLU A 70 13.047 -2.175 -14.983 1.00 0.00 O ATOM 156 CB GLU A 70 11.314 -3.166 -13.108 1.00 0.00 C ATOM 157 CG GLU A 70 11.644 -1.922 -12.301 1.00 0.00 C ATOM 158 CD GLU A 70 10.563 -0.862 -12.395 1.00 0.00 C ATOM 159 OE1 GLU A 70 9.410 -1.217 -12.714 1.00 0.00 O ATOM 160 OE2 GLU A 70 10.873 0.323 -12.149 1.00 0.00 O ATOM 0 H GLU A 70 13.963 -3.318 -12.097 1.00 0.00 H new ATOM 0 HA GLU A 70 12.220 -4.989 -13.798 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.793 -2.871 -14.019 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.627 -3.789 -12.535 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.787 -2.198 -11.256 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.588 -1.505 -12.652 1.00 0.00 H new ATOM 167 N PRO A 71 14.193 -4.093 -15.273 1.00 0.00 N ATOM 168 CA PRO A 71 14.983 -3.603 -16.407 1.00 0.00 C ATOM 169 C PRO A 71 14.139 -3.408 -17.661 1.00 0.00 C ATOM 170 O PRO A 71 14.620 -2.894 -18.670 1.00 0.00 O ATOM 171 CB PRO A 71 16.016 -4.711 -16.624 1.00 0.00 C ATOM 172 CG PRO A 71 15.374 -5.940 -16.078 1.00 0.00 C ATOM 173 CD PRO A 71 14.523 -5.485 -14.925 1.00 0.00 C ATOM 0 HA PRO A 71 15.422 -2.626 -16.206 1.00 0.00 H new ATOM 0 HB2 PRO A 71 16.257 -4.826 -17.681 1.00 0.00 H new ATOM 0 HB3 PRO A 71 16.949 -4.489 -16.107 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.769 -6.435 -16.838 1.00 0.00 H new ATOM 0 HG3 PRO A 71 16.124 -6.659 -15.749 1.00 0.00 H new ATOM 0 HD2 PRO A 71 13.627 -6.097 -14.821 1.00 0.00 H new ATOM 0 HD3 PRO A 71 15.062 -5.546 -13.979 1.00 0.00 H new ATOM 181 N GLU A 72 12.878 -3.822 -17.590 1.00 0.00 N ATOM 182 CA GLU A 72 11.967 -3.692 -18.722 1.00 0.00 C ATOM 183 C GLU A 72 11.411 -2.274 -18.813 1.00 0.00 C ATOM 184 O GLU A 72 10.333 -2.053 -19.365 1.00 0.00 O ATOM 185 CB GLU A 72 10.818 -4.695 -18.598 1.00 0.00 C ATOM 186 CG GLU A 72 11.273 -6.145 -18.605 1.00 0.00 C ATOM 187 CD GLU A 72 11.600 -6.660 -17.216 1.00 0.00 C ATOM 188 OE1 GLU A 72 10.959 -6.202 -16.247 1.00 0.00 O ATOM 189 OE2 GLU A 72 12.496 -7.522 -17.099 1.00 0.00 O ATOM 0 H GLU A 72 12.464 -4.250 -16.762 1.00 0.00 H new ATOM 0 HA GLU A 72 12.528 -3.903 -19.633 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.273 -4.498 -17.675 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.119 -4.538 -19.420 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.491 -6.765 -19.044 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.153 -6.243 -19.241 1.00 0.00 H new ATOM 196 N ILE A 73 12.153 -1.317 -18.266 1.00 0.00 N ATOM 197 CA ILE A 73 11.735 0.079 -18.286 1.00 0.00 C ATOM 198 C ILE A 73 11.421 0.539 -19.706 1.00 0.00 C ATOM 199 O ILE A 73 10.311 0.988 -19.994 1.00 0.00 O ATOM 200 CB ILE A 73 12.816 0.999 -17.688 1.00 0.00 C ATOM 201 CG1 ILE A 73 13.212 0.515 -16.291 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.319 2.436 -17.636 1.00 0.00 C ATOM 203 CD1 ILE A 73 14.218 1.412 -15.604 1.00 0.00 C ATOM 0 H ILE A 73 13.047 -1.483 -17.803 1.00 0.00 H new ATOM 0 HA ILE A 73 10.834 0.147 -17.677 1.00 0.00 H new ATOM 0 HB ILE A 73 13.698 0.963 -18.328 1.00 0.00 H new ATOM 0 HG12 ILE A 73 12.317 0.445 -15.672 1.00 0.00 H new ATOM 0 HG13 ILE A 73 13.626 -0.490 -16.367 1.00 0.00 H new ATOM 0 HG21 ILE A 73 13.094 3.074 -17.211 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.082 2.776 -18.644 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.425 2.489 -17.015 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.453 1.008 -14.619 1.00 0.00 H new ATOM 0 HD12 ILE A 73 15.128 1.463 -16.202 1.00 0.00 H new ATOM 0 HD13 ILE A 73 13.799 2.412 -15.496 1.00 0.00 H new ATOM 215 N THR A 74 12.406 0.421 -20.591 1.00 0.00 N ATOM 216 CA THR A 74 12.235 0.824 -21.982 1.00 0.00 C ATOM 217 C THR A 74 10.967 0.223 -22.576 1.00 0.00 C ATOM 218 O THR A 74 10.210 0.905 -23.269 1.00 0.00 O ATOM 219 CB THR A 74 13.442 0.402 -22.841 1.00 0.00 C ATOM 220 OG1 THR A 74 14.647 0.952 -22.298 1.00 0.00 O ATOM 221 CG2 THR A 74 13.270 0.865 -24.280 1.00 0.00 C ATOM 0 H THR A 74 13.330 0.050 -20.370 1.00 0.00 H new ATOM 0 HA THR A 74 12.156 1.911 -21.989 1.00 0.00 H new ATOM 0 HB THR A 74 13.504 -0.686 -22.831 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.409 0.677 -22.849 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.134 0.556 -24.868 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.368 0.420 -24.700 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.184 1.951 -24.305 1.00 0.00 H new ATOM 229 N LEU A 75 10.739 -1.056 -22.302 1.00 0.00 N ATOM 230 CA LEU A 75 9.560 -1.750 -22.810 1.00 0.00 C ATOM 231 C LEU A 75 8.282 -1.029 -22.392 1.00 0.00 C ATOM 232 O LEU A 75 7.418 -0.747 -23.222 1.00 0.00 O ATOM 233 CB LEU A 75 9.535 -3.193 -22.302 1.00 0.00 C ATOM 234 CG LEU A 75 10.488 -4.165 -22.997 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.362 -5.557 -22.397 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.215 -4.202 -24.494 1.00 0.00 C ATOM 0 H LEU A 75 11.355 -1.635 -21.731 1.00 0.00 H new ATOM 0 HA LEU A 75 9.613 -1.756 -23.899 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.768 -3.186 -21.237 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.519 -3.576 -22.404 1.00 0.00 H new ATOM 0 HG LEU A 75 11.509 -3.815 -22.842 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.048 -6.235 -22.904 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.608 -5.519 -21.336 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.340 -5.915 -22.520 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.903 -4.899 -24.972 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.189 -4.527 -24.669 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.357 -3.206 -24.914 1.00 0.00 H new ATOM 248 N ILE A 76 8.172 -0.733 -21.101 1.00 0.00 N ATOM 249 CA ILE A 76 7.001 -0.042 -20.574 1.00 0.00 C ATOM 250 C ILE A 76 6.766 1.276 -21.305 1.00 0.00 C ATOM 251 O ILE A 76 5.642 1.585 -21.702 1.00 0.00 O ATOM 252 CB ILE A 76 7.144 0.238 -19.067 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.336 -1.071 -18.299 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.926 0.988 -18.550 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.212 -2.063 -18.505 1.00 0.00 C ATOM 0 H ILE A 76 8.879 -0.961 -20.401 1.00 0.00 H new ATOM 0 HA ILE A 76 6.147 -0.700 -20.733 1.00 0.00 H new ATOM 0 HB ILE A 76 8.024 0.862 -18.910 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.275 -1.529 -18.608 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.424 -0.849 -17.235 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.042 1.179 -17.483 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.830 1.936 -19.080 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.031 0.388 -18.716 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.415 -2.967 -17.931 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.273 -1.623 -18.170 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.138 -2.314 -19.563 1.00 0.00 H new ATOM 267 N ILE A 77 7.833 2.048 -21.480 1.00 0.00 N ATOM 268 CA ILE A 77 7.743 3.331 -22.165 1.00 0.00 C ATOM 269 C ILE A 77 7.310 3.150 -23.616 1.00 0.00 C ATOM 270 O ILE A 77 6.388 3.816 -24.088 1.00 0.00 O ATOM 271 CB ILE A 77 9.086 4.083 -22.132 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.595 4.198 -20.693 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.938 5.461 -22.759 1.00 0.00 C ATOM 274 CD1 ILE A 77 10.800 5.102 -20.550 1.00 0.00 C ATOM 0 H ILE A 77 8.770 1.807 -21.157 1.00 0.00 H new ATOM 0 HA ILE A 77 6.994 3.919 -21.635 1.00 0.00 H new ATOM 0 HB ILE A 77 9.816 3.519 -22.712 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.791 4.574 -20.061 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.851 3.204 -20.326 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.896 5.980 -22.728 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.615 5.357 -23.795 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.196 6.035 -22.204 1.00 0.00 H new ATOM 0 HD11 ILE A 77 11.107 5.137 -19.505 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.619 4.715 -21.156 1.00 0.00 H new ATOM 0 HD13 ILE A 77 10.543 6.106 -20.886 1.00 0.00 H new ATOM 286 N PHE A 78 7.980 2.243 -24.319 1.00 0.00 N ATOM 287 CA PHE A 78 7.665 1.973 -25.717 1.00 0.00 C ATOM 288 C PHE A 78 6.192 1.611 -25.882 1.00 0.00 C ATOM 289 O PHE A 78 5.504 2.144 -26.751 1.00 0.00 O ATOM 290 CB PHE A 78 8.543 0.839 -26.250 1.00 0.00 C ATOM 291 CG PHE A 78 8.128 0.347 -27.607 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.594 0.965 -28.755 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.270 -0.735 -27.733 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.215 0.514 -30.005 1.00 0.00 C ATOM 295 CE2 PHE A 78 6.888 -1.190 -28.980 1.00 0.00 C ATOM 296 CZ PHE A 78 7.359 -0.565 -30.118 1.00 0.00 C ATOM 0 H PHE A 78 8.745 1.682 -23.943 1.00 0.00 H new ATOM 0 HA PHE A 78 7.865 2.878 -26.290 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.577 1.182 -26.297 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.515 0.007 -25.546 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.262 1.810 -28.673 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.897 -1.227 -26.847 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.587 1.004 -30.892 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.221 -2.035 -29.065 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.059 -0.919 -31.093 1.00 0.00 H new ATOM 306 N GLY A 79 5.714 0.700 -25.039 1.00 0.00 N ATOM 307 CA GLY A 79 4.327 0.280 -25.108 1.00 0.00 C ATOM 308 C GLY A 79 3.363 1.445 -24.991 1.00 0.00 C ATOM 309 O GLY A 79 2.488 1.624 -25.839 1.00 0.00 O ATOM 0 H GLY A 79 6.263 0.246 -24.309 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.154 -0.238 -26.051 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.127 -0.435 -24.310 1.00 0.00 H new ATOM 313 N VAL A 80 3.521 2.239 -23.937 1.00 0.00 N ATOM 314 CA VAL A 80 2.658 3.391 -23.711 1.00 0.00 C ATOM 315 C VAL A 80 2.797 4.411 -24.836 1.00 0.00 C ATOM 316 O VAL A 80 1.827 5.065 -25.218 1.00 0.00 O ATOM 317 CB VAL A 80 2.976 4.077 -22.369 1.00 0.00 C ATOM 318 CG1 VAL A 80 2.013 5.227 -22.115 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.928 3.069 -21.232 1.00 0.00 C ATOM 0 H VAL A 80 4.240 2.105 -23.226 1.00 0.00 H new ATOM 0 HA VAL A 80 1.634 3.019 -23.686 1.00 0.00 H new ATOM 0 HB VAL A 80 3.985 4.485 -22.420 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.253 5.699 -21.162 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.103 5.960 -22.916 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.992 4.847 -22.084 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.155 3.571 -20.291 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.932 2.629 -21.178 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.662 2.284 -21.411 1.00 0.00 H new ATOM 329 N MET A 81 4.010 4.540 -25.363 1.00 0.00 N ATOM 330 CA MET A 81 4.277 5.480 -26.446 1.00 0.00 C ATOM 331 C MET A 81 3.537 5.069 -27.716 1.00 0.00 C ATOM 332 O MET A 81 2.910 5.898 -28.375 1.00 0.00 O ATOM 333 CB MET A 81 5.779 5.562 -26.721 1.00 0.00 C ATOM 334 CG MET A 81 6.536 6.413 -25.715 1.00 0.00 C ATOM 335 SD MET A 81 8.317 6.401 -25.994 1.00 0.00 S ATOM 336 CE MET A 81 8.683 8.153 -25.926 1.00 0.00 C ATOM 0 H MET A 81 4.824 4.006 -25.058 1.00 0.00 H new ATOM 0 HA MET A 81 3.918 6.462 -26.138 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.196 4.555 -26.719 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.935 5.970 -27.720 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.171 7.439 -25.766 1.00 0.00 H new ATOM 0 HG3 MET A 81 6.328 6.050 -24.709 1.00 0.00 H new ATOM 0 HE1 MET A 81 9.751 8.308 -26.082 1.00 0.00 H new ATOM 0 HE2 MET A 81 8.124 8.672 -26.704 1.00 0.00 H new ATOM 0 HE3 MET A 81 8.398 8.547 -24.950 1.00 0.00 H new ATOM 346 N ALA A 82 3.615 3.786 -28.052 1.00 0.00 N ATOM 347 CA ALA A 82 2.952 3.266 -29.241 1.00 0.00 C ATOM 348 C ALA A 82 1.435 3.345 -29.102 1.00 0.00 C ATOM 349 O ALA A 82 0.740 3.782 -30.018 1.00 0.00 O ATOM 350 CB ALA A 82 3.386 1.832 -29.504 1.00 0.00 C ATOM 0 H ALA A 82 4.131 3.087 -27.517 1.00 0.00 H new ATOM 0 HA ALA A 82 3.246 3.883 -30.090 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.883 1.457 -30.395 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.465 1.801 -29.656 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.122 1.209 -28.649 1.00 0.00 H new ATOM 356 N GLY A 83 0.928 2.916 -27.950 1.00 0.00 N ATOM 357 CA GLY A 83 -0.504 2.946 -27.713 1.00 0.00 C ATOM 358 C GLY A 83 -1.071 4.351 -27.763 1.00 0.00 C ATOM 359 O GLY A 83 -2.036 4.613 -28.480 1.00 0.00 O ATOM 0 H GLY A 83 1.483 2.548 -27.177 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.005 2.329 -28.458 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.717 2.506 -26.739 1.00 0.00 H new ATOM 363 N VAL A 84 -0.471 5.257 -26.998 1.00 0.00 N ATOM 364 CA VAL A 84 -0.922 6.643 -26.957 1.00 0.00 C ATOM 365 C VAL A 84 -0.997 7.237 -28.359 1.00 0.00 C ATOM 366 O VAL A 84 -2.053 7.699 -28.792 1.00 0.00 O ATOM 367 CB VAL A 84 0.010 7.511 -26.092 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.314 8.986 -26.273 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.094 7.109 -24.628 1.00 0.00 C ATOM 0 H VAL A 84 0.329 5.056 -26.398 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.918 6.640 -26.513 1.00 0.00 H new ATOM 0 HB VAL A 84 1.037 7.347 -26.418 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.355 9.584 -25.654 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.183 9.262 -27.319 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.346 9.171 -25.975 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.571 7.733 -24.031 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.120 7.243 -24.286 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.192 6.063 -24.517 1.00 0.00 H new ATOM 379 N ILE A 85 0.129 7.223 -29.063 1.00 0.00 N ATOM 380 CA ILE A 85 0.191 7.759 -30.417 1.00 0.00 C ATOM 381 C ILE A 85 -0.850 7.101 -31.317 1.00 0.00 C ATOM 382 O ILE A 85 -1.502 7.767 -32.119 1.00 0.00 O ATOM 383 CB ILE A 85 1.587 7.564 -31.037 1.00 0.00 C ATOM 384 CG1 ILE A 85 2.651 8.246 -30.175 1.00 0.00 C ATOM 385 CG2 ILE A 85 1.617 8.111 -32.457 1.00 0.00 C ATOM 386 CD1 ILE A 85 4.060 7.784 -30.477 1.00 0.00 C ATOM 0 H ILE A 85 1.012 6.846 -28.718 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.018 8.826 -30.344 1.00 0.00 H new ATOM 0 HB ILE A 85 1.806 6.497 -31.075 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.591 9.324 -30.323 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.432 8.056 -29.124 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.610 7.966 -32.882 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.882 7.584 -33.065 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.381 9.175 -32.442 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.762 8.309 -29.829 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.137 6.711 -30.301 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.298 7.999 -31.519 1.00 0.00 H new ATOM 398 N GLY A 86 -1.000 5.787 -31.176 1.00 0.00 N ATOM 399 CA GLY A 86 -1.964 5.060 -31.981 1.00 0.00 C ATOM 400 C GLY A 86 -3.377 5.577 -31.801 1.00 0.00 C ATOM 401 O GLY A 86 -4.062 5.889 -32.776 1.00 0.00 O ATOM 0 H GLY A 86 -0.471 5.214 -30.519 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.684 5.134 -33.032 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.931 4.003 -31.716 1.00 0.00 H new ATOM 405 N THR A 87 -3.818 5.668 -30.550 1.00 0.00 N ATOM 406 CA THR A 87 -5.160 6.148 -30.245 1.00 0.00 C ATOM 407 C THR A 87 -5.392 7.538 -30.826 1.00 0.00 C ATOM 408 O THR A 87 -6.445 7.813 -31.401 1.00 0.00 O ATOM 409 CB THR A 87 -5.409 6.191 -28.725 1.00 0.00 C ATOM 410 OG1 THR A 87 -4.796 5.060 -28.096 1.00 0.00 O ATOM 411 CG2 THR A 87 -6.900 6.200 -28.422 1.00 0.00 C ATOM 0 H THR A 87 -3.265 5.415 -29.731 1.00 0.00 H new ATOM 0 HA THR A 87 -5.858 5.446 -30.701 1.00 0.00 H new ATOM 0 HB THR A 87 -4.968 7.107 -28.332 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.912 4.268 -28.662 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.052 6.230 -27.343 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.359 7.077 -28.878 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.359 5.298 -28.828 1.00 0.00 H new ATOM 419 N ILE A 88 -4.402 8.411 -30.672 1.00 0.00 N ATOM 420 CA ILE A 88 -4.498 9.773 -31.184 1.00 0.00 C ATOM 421 C ILE A 88 -4.810 9.778 -32.677 1.00 0.00 C ATOM 422 O ILE A 88 -5.743 10.445 -33.125 1.00 0.00 O ATOM 423 CB ILE A 88 -3.197 10.560 -30.939 1.00 0.00 C ATOM 424 CG1 ILE A 88 -2.889 10.625 -29.442 1.00 0.00 C ATOM 425 CG2 ILE A 88 -3.308 11.960 -31.524 1.00 0.00 C ATOM 426 CD1 ILE A 88 -1.424 10.848 -29.136 1.00 0.00 C ATOM 0 H ILE A 88 -3.524 8.200 -30.197 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.312 10.257 -30.644 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.377 10.043 -31.437 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.472 11.430 -28.994 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.213 9.696 -28.972 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.381 12.504 -31.343 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.486 11.893 -32.597 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.137 12.487 -31.051 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.279 10.883 -28.056 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.836 10.031 -29.554 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.100 11.791 -29.577 1.00 0.00 H new ATOM 438 N LEU A 89 -4.023 9.030 -33.442 1.00 0.00 N ATOM 439 CA LEU A 89 -4.215 8.946 -34.886 1.00 0.00 C ATOM 440 C LEU A 89 -5.630 8.484 -35.221 1.00 0.00 C ATOM 441 O LEU A 89 -6.343 9.136 -35.985 1.00 0.00 O ATOM 442 CB LEU A 89 -3.194 7.988 -35.501 1.00 0.00 C ATOM 443 CG LEU A 89 -1.767 8.521 -35.632 1.00 0.00 C ATOM 444 CD1 LEU A 89 -0.770 7.373 -35.678 1.00 0.00 C ATOM 445 CD2 LEU A 89 -1.635 9.394 -36.870 1.00 0.00 C ATOM 0 H LEU A 89 -3.246 8.473 -33.087 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.069 9.941 -35.306 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.168 7.081 -34.897 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.546 7.701 -36.492 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.546 9.132 -34.756 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.240 7.772 -35.771 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.846 6.788 -34.761 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.989 6.735 -36.534 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.613 9.764 -36.947 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.876 8.807 -37.756 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.322 10.237 -36.796 1.00 0.00 H new ATOM 457 N LEU A 90 -6.031 7.357 -34.643 1.00 0.00 N ATOM 458 CA LEU A 90 -7.362 6.808 -34.878 1.00 0.00 C ATOM 459 C LEU A 90 -8.441 7.816 -34.500 1.00 0.00 C ATOM 460 O LEU A 90 -9.350 8.092 -35.284 1.00 0.00 O ATOM 461 CB LEU A 90 -7.551 5.517 -34.080 1.00 0.00 C ATOM 462 CG LEU A 90 -6.525 4.412 -34.338 1.00 0.00 C ATOM 463 CD1 LEU A 90 -6.364 3.536 -33.105 1.00 0.00 C ATOM 464 CD2 LEU A 90 -6.935 3.574 -35.540 1.00 0.00 C ATOM 0 H LEU A 90 -5.454 6.806 -34.008 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.454 6.587 -35.941 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.531 5.763 -33.018 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.543 5.122 -34.297 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.564 4.878 -34.556 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.630 2.755 -33.307 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.025 4.145 -32.267 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.322 3.079 -32.856 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.194 2.793 -35.709 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.907 3.117 -35.351 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.999 4.210 -36.423 1.00 0.00 H new ATOM 476 N ILE A 91 -8.334 8.365 -33.294 1.00 0.00 N ATOM 477 CA ILE A 91 -9.300 9.345 -32.813 1.00 0.00 C ATOM 478 C ILE A 91 -9.389 10.538 -33.759 1.00 0.00 C ATOM 479 O ILE A 91 -10.479 10.947 -34.158 1.00 0.00 O ATOM 480 CB ILE A 91 -8.937 9.848 -31.403 1.00 0.00 C ATOM 481 CG1 ILE A 91 -9.071 8.714 -30.384 1.00 0.00 C ATOM 482 CG2 ILE A 91 -9.822 11.023 -31.016 1.00 0.00 C ATOM 483 CD1 ILE A 91 -8.356 8.988 -29.079 1.00 0.00 C ATOM 0 H ILE A 91 -7.588 8.148 -32.633 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.267 8.843 -32.773 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.901 10.186 -31.409 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -10.128 8.542 -30.181 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.676 7.796 -30.820 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -9.554 11.367 -30.017 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.682 11.835 -31.730 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -10.866 10.710 -31.023 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -8.493 8.143 -28.404 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.292 9.131 -29.270 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.767 9.888 -28.621 1.00 0.00 H new ATOM 495 N SER A 92 -8.234 11.092 -34.115 1.00 0.00 N ATOM 496 CA SER A 92 -8.181 12.240 -35.012 1.00 0.00 C ATOM 497 C SER A 92 -8.910 11.941 -36.319 1.00 0.00 C ATOM 498 O SER A 92 -9.455 12.841 -36.958 1.00 0.00 O ATOM 499 CB SER A 92 -6.728 12.622 -35.301 1.00 0.00 C ATOM 500 OG SER A 92 -6.201 11.854 -36.368 1.00 0.00 O ATOM 0 H SER A 92 -7.322 10.764 -33.796 1.00 0.00 H new ATOM 0 HA SER A 92 -8.678 13.077 -34.521 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.670 13.682 -35.548 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.124 12.470 -34.406 1.00 0.00 H new ATOM 0 HG SER A 92 -6.227 10.903 -36.131 1.00 0.00 H new ATOM 506 N TYR A 93 -8.914 10.672 -36.710 1.00 0.00 N ATOM 507 CA TYR A 93 -9.572 10.254 -37.942 1.00 0.00 C ATOM 508 C TYR A 93 -11.090 10.284 -37.786 1.00 0.00 C ATOM 509 O TYR A 93 -11.814 10.628 -38.718 1.00 0.00 O ATOM 510 CB TYR A 93 -9.117 8.848 -38.336 1.00 0.00 C ATOM 511 CG TYR A 93 -8.082 8.833 -39.438 1.00 0.00 C ATOM 512 CD1 TYR A 93 -6.947 9.631 -39.363 1.00 0.00 C ATOM 513 CD2 TYR A 93 -8.239 8.021 -40.555 1.00 0.00 C ATOM 514 CE1 TYR A 93 -5.999 9.621 -40.368 1.00 0.00 C ATOM 515 CE2 TYR A 93 -7.295 8.004 -41.564 1.00 0.00 C ATOM 516 CZ TYR A 93 -6.178 8.806 -41.466 1.00 0.00 C ATOM 517 OH TYR A 93 -5.235 8.793 -42.469 1.00 0.00 O ATOM 0 H TYR A 93 -8.469 9.915 -36.192 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.291 10.954 -38.729 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.708 8.348 -37.458 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.985 8.271 -38.656 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.803 10.270 -38.504 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.114 7.393 -40.636 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.123 10.248 -40.294 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -7.432 7.366 -42.425 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.511 8.165 -43.169 1.00 0.00 H new ATOM 527 N GLY A 94 -11.563 9.921 -36.597 1.00 0.00 N ATOM 528 CA GLY A 94 -12.991 9.913 -36.339 1.00 0.00 C ATOM 529 C GLY A 94 -13.597 11.301 -36.391 1.00 0.00 C ATOM 530 O GLY A 94 -14.722 11.477 -36.861 1.00 0.00 O ATOM 0 H GLY A 94 -10.983 9.633 -35.809 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.486 9.276 -37.072 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.178 9.475 -35.358 1.00 0.00 H new ATOM 534 N ILE A 95 -12.852 12.289 -35.908 1.00 0.00 N ATOM 535 CA ILE A 95 -13.323 13.669 -35.902 1.00 0.00 C ATOM 536 C ILE A 95 -13.489 14.199 -37.322 1.00 0.00 C ATOM 537 O ILE A 95 -14.359 15.029 -37.588 1.00 0.00 O ATOM 538 CB ILE A 95 -12.359 14.590 -35.131 1.00 0.00 C ATOM 539 CG1 ILE A 95 -12.217 14.117 -33.682 1.00 0.00 C ATOM 540 CG2 ILE A 95 -12.850 16.029 -35.179 1.00 0.00 C ATOM 541 CD1 ILE A 95 -13.531 14.056 -32.935 1.00 0.00 C ATOM 0 H ILE A 95 -11.919 12.160 -35.516 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.291 13.670 -35.401 1.00 0.00 H new ATOM 0 HB ILE A 95 -11.379 14.545 -35.606 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.758 13.129 -33.674 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.539 14.788 -33.154 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -12.158 16.668 -34.630 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -12.905 16.360 -36.216 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -13.839 16.091 -34.726 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -13.354 13.713 -31.916 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -13.982 15.048 -32.911 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -14.204 13.363 -33.439 1.00 0.00 H new ATOM 553 N ARG A 96 -12.649 13.714 -38.230 1.00 0.00 N ATOM 554 CA ARG A 96 -12.703 14.139 -39.624 1.00 0.00 C ATOM 555 C ARG A 96 -13.898 13.513 -40.338 1.00 0.00 C ATOM 556 O ARG A 96 -14.593 14.178 -41.106 1.00 0.00 O ATOM 557 CB ARG A 96 -11.408 13.759 -40.345 1.00 0.00 C ATOM 558 CG ARG A 96 -10.788 14.906 -41.127 1.00 0.00 C ATOM 559 CD ARG A 96 -11.038 14.760 -42.621 1.00 0.00 C ATOM 560 NE ARG A 96 -9.799 14.543 -43.364 1.00 0.00 N ATOM 561 CZ ARG A 96 -8.865 15.474 -43.524 1.00 0.00 C ATOM 562 NH1 ARG A 96 -9.028 16.679 -42.995 1.00 0.00 N ATOM 563 NH2 ARG A 96 -7.765 15.200 -44.213 1.00 0.00 N ATOM 0 H ARG A 96 -11.923 13.027 -38.026 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.818 15.223 -39.643 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.686 13.398 -39.612 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.610 12.933 -41.027 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.202 15.852 -40.778 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -9.715 14.939 -40.938 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -11.716 13.925 -42.795 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.533 15.656 -42.995 1.00 0.00 H new ATOM 0 HE ARG A 96 -9.642 13.626 -43.783 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -9.872 16.893 -42.464 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -8.309 17.392 -43.119 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -7.636 14.274 -44.620 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.048 15.915 -44.335 1.00 0.00 H new ATOM 577 N ARG A 97 -14.129 12.230 -40.079 1.00 0.00 N ATOM 578 CA ARG A 97 -15.238 11.514 -40.697 1.00 0.00 C ATOM 579 C ARG A 97 -15.069 11.455 -42.213 1.00 0.00 C ATOM 580 O ARG A 97 -15.722 12.194 -42.950 1.00 0.00 O ATOM 581 CB ARG A 97 -16.567 12.188 -40.348 1.00 0.00 C ATOM 582 CG ARG A 97 -17.337 11.480 -39.245 1.00 0.00 C ATOM 583 CD ARG A 97 -18.102 10.280 -39.781 1.00 0.00 C ATOM 584 NE ARG A 97 -17.258 9.091 -39.876 1.00 0.00 N ATOM 585 CZ ARG A 97 -17.601 7.999 -40.550 1.00 0.00 C ATOM 586 NH1 ARG A 97 -18.764 7.945 -41.185 1.00 0.00 N ATOM 587 NH2 ARG A 97 -16.780 6.958 -40.590 1.00 0.00 N ATOM 0 H ARG A 97 -13.563 11.665 -39.446 1.00 0.00 H new ATOM 0 HA ARG A 97 -15.242 10.496 -40.308 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -16.374 13.216 -40.043 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -17.188 12.232 -41.243 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -16.645 11.154 -38.468 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -18.033 12.178 -38.780 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -18.951 10.071 -39.130 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -18.506 10.518 -40.765 1.00 0.00 H new ATOM 0 HE ARG A 97 -16.357 9.100 -39.399 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -19.398 8.743 -41.157 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -19.024 7.105 -41.702 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -15.885 6.996 -40.103 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -17.044 6.120 -41.108 1.00 0.00 H new ATOM 601 N LEU A 98 -14.190 10.571 -42.670 1.00 0.00 N ATOM 602 CA LEU A 98 -13.934 10.414 -44.098 1.00 0.00 C ATOM 603 C LEU A 98 -15.079 9.670 -44.778 1.00 0.00 C ATOM 604 O LEU A 98 -15.377 9.953 -45.937 1.00 0.00 O ATOM 605 CB LEU A 98 -12.619 9.666 -44.322 1.00 0.00 C ATOM 606 CG LEU A 98 -11.505 9.950 -43.314 1.00 0.00 C ATOM 607 CD1 LEU A 98 -11.440 8.849 -42.266 1.00 0.00 C ATOM 608 CD2 LEU A 98 -10.167 10.093 -44.024 1.00 0.00 C ATOM 0 H LEU A 98 -13.642 9.952 -42.073 1.00 0.00 H new ATOM 0 HA LEU A 98 -13.858 11.408 -44.540 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -12.827 8.596 -44.312 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -12.251 9.910 -45.319 1.00 0.00 H new ATOM 0 HG LEU A 98 -11.728 10.890 -42.810 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.641 9.068 -41.557 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -12.391 8.795 -41.736 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.241 7.894 -42.753 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.386 10.295 -43.291 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.936 9.169 -44.555 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.219 10.917 -44.735 1.00 0.00 H new TER 620 LEU A 98 ATOM 621 N ARG B 61 5.677 -14.134 0.516 1.00 0.00 N ATOM 622 CA ARG B 61 6.481 -14.784 -0.512 1.00 0.00 C ATOM 623 C ARG B 61 7.956 -14.796 -0.121 1.00 0.00 C ATOM 624 O ARG B 61 8.540 -13.753 0.173 1.00 0.00 O ATOM 625 CB ARG B 61 6.304 -14.073 -1.854 1.00 0.00 C ATOM 626 CG ARG B 61 4.857 -13.737 -2.179 1.00 0.00 C ATOM 627 CD ARG B 61 4.750 -12.903 -3.446 1.00 0.00 C ATOM 628 NE ARG B 61 3.373 -12.500 -3.721 1.00 0.00 N ATOM 629 CZ ARG B 61 2.431 -13.339 -4.135 1.00 0.00 C ATOM 630 NH1 ARG B 61 2.714 -14.621 -4.320 1.00 0.00 N ATOM 631 NH2 ARG B 61 1.201 -12.896 -4.364 1.00 0.00 N ATOM 0 HA ARG B 61 6.139 -15.815 -0.607 1.00 0.00 H new ATOM 0 HB2 ARG B 61 6.889 -13.153 -1.848 1.00 0.00 H new ATOM 0 HB3 ARG B 61 6.708 -14.703 -2.646 1.00 0.00 H new ATOM 0 HG2 ARG B 61 4.287 -14.658 -2.299 1.00 0.00 H new ATOM 0 HG3 ARG B 61 4.413 -13.193 -1.345 1.00 0.00 H new ATOM 0 HD2 ARG B 61 5.375 -12.015 -3.350 1.00 0.00 H new ATOM 0 HD3 ARG B 61 5.136 -13.475 -4.290 1.00 0.00 H new ATOM 0 HE ARG B 61 3.122 -11.521 -3.588 1.00 0.00 H new ATOM 0 HH11 ARG B 61 3.658 -14.965 -4.144 1.00 0.00 H new ATOM 0 HH12 ARG B 61 1.988 -15.263 -4.638 1.00 0.00 H new ATOM 0 HH21 ARG B 61 0.979 -11.911 -4.222 1.00 0.00 H new ATOM 0 HH22 ARG B 61 0.478 -13.541 -4.682 1.00 0.00 H new ATOM 645 N VAL B 62 8.553 -15.984 -0.120 1.00 0.00 N ATOM 646 CA VAL B 62 9.960 -16.132 0.233 1.00 0.00 C ATOM 647 C VAL B 62 10.848 -16.060 -1.004 1.00 0.00 C ATOM 648 O VAL B 62 11.460 -17.052 -1.399 1.00 0.00 O ATOM 649 CB VAL B 62 10.219 -17.465 0.960 1.00 0.00 C ATOM 650 CG1 VAL B 62 11.651 -17.526 1.469 1.00 0.00 C ATOM 651 CG2 VAL B 62 9.231 -17.649 2.102 1.00 0.00 C ATOM 0 H VAL B 62 8.084 -16.858 -0.360 1.00 0.00 H new ATOM 0 HA VAL B 62 10.206 -15.308 0.902 1.00 0.00 H new ATOM 0 HB VAL B 62 10.076 -18.280 0.250 1.00 0.00 H new ATOM 0 HG11 VAL B 62 11.815 -18.475 1.980 1.00 0.00 H new ATOM 0 HG12 VAL B 62 12.340 -17.442 0.628 1.00 0.00 H new ATOM 0 HG13 VAL B 62 11.825 -16.705 2.164 1.00 0.00 H new ATOM 0 HG21 VAL B 62 9.428 -18.596 2.605 1.00 0.00 H new ATOM 0 HG22 VAL B 62 9.341 -16.831 2.813 1.00 0.00 H new ATOM 0 HG23 VAL B 62 8.215 -17.653 1.707 1.00 0.00 H new ATOM 661 N GLN B 63 10.914 -14.879 -1.610 1.00 0.00 N ATOM 662 CA GLN B 63 11.728 -14.678 -2.803 1.00 0.00 C ATOM 663 C GLN B 63 11.232 -15.549 -3.953 1.00 0.00 C ATOM 664 O GLN B 63 10.695 -16.635 -3.736 1.00 0.00 O ATOM 665 CB GLN B 63 13.195 -14.992 -2.505 1.00 0.00 C ATOM 666 CG GLN B 63 14.061 -15.090 -3.750 1.00 0.00 C ATOM 667 CD GLN B 63 14.128 -13.785 -4.518 1.00 0.00 C ATOM 668 OE1 GLN B 63 13.839 -12.717 -3.978 1.00 0.00 O ATOM 669 NE2 GLN B 63 14.510 -13.864 -5.788 1.00 0.00 N ATOM 0 H GLN B 63 10.414 -14.048 -1.295 1.00 0.00 H new ATOM 0 HA GLN B 63 11.641 -13.633 -3.099 1.00 0.00 H new ATOM 0 HB2 GLN B 63 13.598 -14.218 -1.852 1.00 0.00 H new ATOM 0 HB3 GLN B 63 13.253 -15.933 -1.957 1.00 0.00 H new ATOM 0 HG2 GLN B 63 15.069 -15.391 -3.464 1.00 0.00 H new ATOM 0 HG3 GLN B 63 13.668 -15.871 -4.401 1.00 0.00 H new ATOM 0 HE21 GLN B 63 14.740 -14.770 -6.196 1.00 0.00 H new ATOM 0 HE22 GLN B 63 14.573 -13.019 -6.355 1.00 0.00 H new ATOM 678 N LEU B 64 11.416 -15.065 -5.177 1.00 0.00 N ATOM 679 CA LEU B 64 10.988 -15.799 -6.362 1.00 0.00 C ATOM 680 C LEU B 64 9.506 -16.151 -6.279 1.00 0.00 C ATOM 681 O LEU B 64 9.137 -17.211 -5.774 1.00 0.00 O ATOM 682 CB LEU B 64 11.818 -17.074 -6.525 1.00 0.00 C ATOM 683 CG LEU B 64 13.035 -16.970 -7.444 1.00 0.00 C ATOM 684 CD1 LEU B 64 14.062 -18.035 -7.094 1.00 0.00 C ATOM 685 CD2 LEU B 64 12.614 -17.091 -8.902 1.00 0.00 C ATOM 0 H LEU B 64 11.859 -14.167 -5.374 1.00 0.00 H new ATOM 0 HA LEU B 64 11.143 -15.159 -7.230 1.00 0.00 H new ATOM 0 HB2 LEU B 64 12.158 -17.390 -5.539 1.00 0.00 H new ATOM 0 HB3 LEU B 64 11.167 -17.861 -6.905 1.00 0.00 H new ATOM 0 HG LEU B 64 13.493 -15.992 -7.298 1.00 0.00 H new ATOM 0 HD11 LEU B 64 14.921 -17.945 -7.759 1.00 0.00 H new ATOM 0 HD12 LEU B 64 14.387 -17.902 -6.062 1.00 0.00 H new ATOM 0 HD13 LEU B 64 13.616 -19.023 -7.210 1.00 0.00 H new ATOM 0 HD21 LEU B 64 13.493 -17.015 -9.542 1.00 0.00 H new ATOM 0 HD22 LEU B 64 12.131 -18.055 -9.062 1.00 0.00 H new ATOM 0 HD23 LEU B 64 11.916 -16.290 -9.147 1.00 0.00 H new ATOM 697 N ALA B 65 8.662 -15.255 -6.780 1.00 0.00 N ATOM 698 CA ALA B 65 7.220 -15.473 -6.766 1.00 0.00 C ATOM 699 C ALA B 65 6.514 -14.535 -7.739 1.00 0.00 C ATOM 700 O ALA B 65 5.375 -14.128 -7.509 1.00 0.00 O ATOM 701 CB ALA B 65 6.672 -15.288 -5.359 1.00 0.00 C ATOM 0 H ALA B 65 8.951 -14.372 -7.200 1.00 0.00 H new ATOM 0 HA ALA B 65 7.029 -16.497 -7.086 1.00 0.00 H new ATOM 0 HB1 ALA B 65 5.595 -15.454 -5.363 1.00 0.00 H new ATOM 0 HB2 ALA B 65 7.146 -16.003 -4.687 1.00 0.00 H new ATOM 0 HB3 ALA B 65 6.882 -14.274 -5.017 1.00 0.00 H new ATOM 707 N HIS B 66 7.198 -14.194 -8.827 1.00 0.00 N ATOM 708 CA HIS B 66 6.635 -13.303 -9.835 1.00 0.00 C ATOM 709 C HIS B 66 7.319 -13.507 -11.184 1.00 0.00 C ATOM 710 O HIS B 66 8.415 -12.997 -11.420 1.00 0.00 O ATOM 711 CB HIS B 66 6.777 -11.845 -9.395 1.00 0.00 C ATOM 712 CG HIS B 66 5.531 -11.037 -9.588 1.00 0.00 C ATOM 713 ND1 HIS B 66 5.064 -10.660 -10.830 1.00 0.00 N ATOM 714 CD2 HIS B 66 4.652 -10.536 -8.689 1.00 0.00 C ATOM 715 CE1 HIS B 66 3.953 -9.960 -10.686 1.00 0.00 C ATOM 716 NE2 HIS B 66 3.681 -9.870 -9.397 1.00 0.00 N ATOM 0 H HIS B 66 8.142 -14.521 -9.033 1.00 0.00 H new ATOM 0 HA HIS B 66 5.577 -13.541 -9.943 1.00 0.00 H new ATOM 0 HB2 HIS B 66 7.059 -11.818 -8.342 1.00 0.00 H new ATOM 0 HB3 HIS B 66 7.590 -11.383 -9.955 1.00 0.00 H new ATOM 0 HD2 HIS B 66 4.704 -10.640 -7.615 1.00 0.00 H new ATOM 0 HE1 HIS B 66 3.367 -9.534 -11.487 1.00 0.00 H new ATOM 0 HE2 HIS B 66 2.880 -9.385 -8.993 1.00 0.00 H new ATOM 724 N HIS B 67 6.666 -14.258 -12.065 1.00 0.00 N ATOM 725 CA HIS B 67 7.211 -14.530 -13.390 1.00 0.00 C ATOM 726 C HIS B 67 6.259 -15.405 -14.201 1.00 0.00 C ATOM 727 O HIS B 67 6.688 -16.315 -14.910 1.00 0.00 O ATOM 728 CB HIS B 67 8.574 -15.213 -13.273 1.00 0.00 C ATOM 729 CG HIS B 67 9.600 -14.668 -14.220 1.00 0.00 C ATOM 730 ND1 HIS B 67 10.314 -15.461 -15.093 1.00 0.00 N ATOM 731 CD2 HIS B 67 10.028 -13.401 -14.428 1.00 0.00 C ATOM 732 CE1 HIS B 67 11.139 -14.706 -15.796 1.00 0.00 C ATOM 733 NE2 HIS B 67 10.985 -13.451 -15.412 1.00 0.00 N ATOM 0 H HIS B 67 5.759 -14.689 -11.885 1.00 0.00 H new ATOM 0 HA HIS B 67 7.332 -13.579 -13.908 1.00 0.00 H new ATOM 0 HB2 HIS B 67 8.940 -15.104 -12.252 1.00 0.00 H new ATOM 0 HB3 HIS B 67 8.453 -16.281 -13.456 1.00 0.00 H new ATOM 0 HD2 HIS B 67 9.682 -12.516 -13.916 1.00 0.00 H new ATOM 0 HE1 HIS B 67 11.823 -15.055 -16.555 1.00 0.00 H new ATOM 0 HE2 HIS B 67 11.494 -12.650 -15.786 1.00 0.00 H new ATOM 741 N PHE B 68 4.965 -15.123 -14.089 1.00 0.00 N ATOM 742 CA PHE B 68 3.952 -15.885 -14.810 1.00 0.00 C ATOM 743 C PHE B 68 4.291 -15.971 -16.295 1.00 0.00 C ATOM 744 O PHE B 68 5.182 -15.275 -16.781 1.00 0.00 O ATOM 745 CB PHE B 68 2.575 -15.245 -14.625 1.00 0.00 C ATOM 746 CG PHE B 68 1.478 -16.242 -14.379 1.00 0.00 C ATOM 747 CD1 PHE B 68 1.472 -17.015 -13.229 1.00 0.00 C ATOM 748 CD2 PHE B 68 0.454 -16.406 -15.298 1.00 0.00 C ATOM 749 CE1 PHE B 68 0.465 -17.932 -12.999 1.00 0.00 C ATOM 750 CE2 PHE B 68 -0.556 -17.322 -15.073 1.00 0.00 C ATOM 751 CZ PHE B 68 -0.550 -18.087 -13.923 1.00 0.00 C ATOM 0 H PHE B 68 4.593 -14.373 -13.506 1.00 0.00 H new ATOM 0 HA PHE B 68 3.933 -16.895 -14.401 1.00 0.00 H new ATOM 0 HB2 PHE B 68 2.617 -14.549 -13.788 1.00 0.00 H new ATOM 0 HB3 PHE B 68 2.332 -14.661 -15.513 1.00 0.00 H new ATOM 0 HD1 PHE B 68 2.264 -16.899 -12.504 1.00 0.00 H new ATOM 0 HD2 PHE B 68 0.445 -15.812 -16.200 1.00 0.00 H new ATOM 0 HE1 PHE B 68 0.471 -18.527 -12.098 1.00 0.00 H new ATOM 0 HE2 PHE B 68 -1.350 -17.440 -15.796 1.00 0.00 H new ATOM 0 HZ PHE B 68 -1.337 -18.805 -13.747 1.00 0.00 H new ATOM 761 N SER B 69 3.573 -16.832 -17.010 1.00 0.00 N ATOM 762 CA SER B 69 3.799 -17.013 -18.440 1.00 0.00 C ATOM 763 C SER B 69 3.778 -15.672 -19.167 1.00 0.00 C ATOM 764 O SER B 69 3.031 -14.767 -18.800 1.00 0.00 O ATOM 765 CB SER B 69 2.739 -17.944 -19.031 1.00 0.00 C ATOM 766 OG SER B 69 1.954 -18.536 -18.011 1.00 0.00 O ATOM 0 H SER B 69 2.831 -17.415 -16.623 1.00 0.00 H new ATOM 0 HA SER B 69 4.783 -17.463 -18.574 1.00 0.00 H new ATOM 0 HB2 SER B 69 2.096 -17.384 -19.710 1.00 0.00 H new ATOM 0 HB3 SER B 69 3.223 -18.723 -19.620 1.00 0.00 H new ATOM 0 HG SER B 69 1.283 -19.125 -18.415 1.00 0.00 H new ATOM 772 N GLU B 70 4.605 -15.555 -20.202 1.00 0.00 N ATOM 773 CA GLU B 70 4.682 -14.325 -20.981 1.00 0.00 C ATOM 774 C GLU B 70 4.883 -13.116 -20.071 1.00 0.00 C ATOM 775 O GLU B 70 4.004 -12.267 -19.921 1.00 0.00 O ATOM 776 CB GLU B 70 3.413 -14.143 -21.816 1.00 0.00 C ATOM 777 CG GLU B 70 2.931 -15.423 -22.477 1.00 0.00 C ATOM 778 CD GLU B 70 2.148 -15.163 -23.750 1.00 0.00 C ATOM 779 OE1 GLU B 70 1.034 -14.606 -23.657 1.00 0.00 O ATOM 780 OE2 GLU B 70 2.649 -15.518 -24.837 1.00 0.00 O ATOM 0 H GLU B 70 5.230 -16.296 -20.520 1.00 0.00 H new ATOM 0 HA GLU B 70 5.540 -14.402 -21.649 1.00 0.00 H new ATOM 0 HB2 GLU B 70 2.621 -13.753 -21.177 1.00 0.00 H new ATOM 0 HB3 GLU B 70 3.599 -13.394 -22.586 1.00 0.00 H new ATOM 0 HG2 GLU B 70 3.789 -16.055 -22.705 1.00 0.00 H new ATOM 0 HG3 GLU B 70 2.305 -15.976 -21.776 1.00 0.00 H new ATOM 787 N PRO B 71 6.069 -13.035 -19.449 1.00 0.00 N ATOM 788 CA PRO B 71 6.414 -11.936 -18.543 1.00 0.00 C ATOM 789 C PRO B 71 6.601 -10.614 -19.280 1.00 0.00 C ATOM 790 O PRO B 71 6.055 -9.587 -18.879 1.00 0.00 O ATOM 791 CB PRO B 71 7.735 -12.392 -17.919 1.00 0.00 C ATOM 792 CG PRO B 71 8.326 -13.323 -18.921 1.00 0.00 C ATOM 793 CD PRO B 71 7.163 -14.011 -19.582 1.00 0.00 C ATOM 0 HA PRO B 71 5.626 -11.746 -17.814 1.00 0.00 H new ATOM 0 HB2 PRO B 71 8.395 -11.546 -17.727 1.00 0.00 H new ATOM 0 HB3 PRO B 71 7.570 -12.891 -16.964 1.00 0.00 H new ATOM 0 HG2 PRO B 71 8.926 -12.781 -19.652 1.00 0.00 H new ATOM 0 HG3 PRO B 71 8.986 -14.046 -18.441 1.00 0.00 H new ATOM 0 HD2 PRO B 71 7.373 -14.240 -20.627 1.00 0.00 H new ATOM 0 HD3 PRO B 71 6.922 -14.954 -19.091 1.00 0.00 H new ATOM 801 N GLU B 72 7.375 -10.649 -20.361 1.00 0.00 N ATOM 802 CA GLU B 72 7.633 -9.453 -21.153 1.00 0.00 C ATOM 803 C GLU B 72 6.363 -8.982 -21.857 1.00 0.00 C ATOM 804 O GLU B 72 6.023 -7.799 -21.820 1.00 0.00 O ATOM 805 CB GLU B 72 8.730 -9.724 -22.185 1.00 0.00 C ATOM 806 CG GLU B 72 8.908 -8.602 -23.194 1.00 0.00 C ATOM 807 CD GLU B 72 10.272 -8.624 -23.856 1.00 0.00 C ATOM 808 OE1 GLU B 72 11.265 -8.919 -23.158 1.00 0.00 O ATOM 809 OE2 GLU B 72 10.347 -8.345 -25.071 1.00 0.00 O ATOM 0 H GLU B 72 7.833 -11.492 -20.707 1.00 0.00 H new ATOM 0 HA GLU B 72 7.967 -8.666 -20.477 1.00 0.00 H new ATOM 0 HB2 GLU B 72 9.674 -9.887 -21.665 1.00 0.00 H new ATOM 0 HB3 GLU B 72 8.496 -10.646 -22.717 1.00 0.00 H new ATOM 0 HG2 GLU B 72 8.136 -8.681 -23.959 1.00 0.00 H new ATOM 0 HG3 GLU B 72 8.766 -7.644 -22.695 1.00 0.00 H new ATOM 816 N ILE B 73 5.668 -9.915 -22.497 1.00 0.00 N ATOM 817 CA ILE B 73 4.436 -9.596 -23.208 1.00 0.00 C ATOM 818 C ILE B 73 3.486 -8.791 -22.328 1.00 0.00 C ATOM 819 O ILE B 73 2.995 -7.735 -22.729 1.00 0.00 O ATOM 820 CB ILE B 73 3.717 -10.871 -23.688 1.00 0.00 C ATOM 821 CG1 ILE B 73 4.658 -11.723 -24.543 1.00 0.00 C ATOM 822 CG2 ILE B 73 2.463 -10.509 -24.470 1.00 0.00 C ATOM 823 CD1 ILE B 73 5.205 -10.992 -25.749 1.00 0.00 C ATOM 0 H ILE B 73 5.937 -10.898 -22.538 1.00 0.00 H new ATOM 0 HA ILE B 73 4.718 -8.999 -24.075 1.00 0.00 H new ATOM 0 HB ILE B 73 3.422 -11.454 -22.816 1.00 0.00 H new ATOM 0 HG12 ILE B 73 5.490 -12.062 -23.926 1.00 0.00 H new ATOM 0 HG13 ILE B 73 4.126 -12.613 -24.878 1.00 0.00 H new ATOM 0 HG21 ILE B 73 1.966 -11.420 -24.803 1.00 0.00 H new ATOM 0 HG22 ILE B 73 1.788 -9.940 -23.831 1.00 0.00 H new ATOM 0 HG23 ILE B 73 2.736 -9.907 -25.337 1.00 0.00 H new ATOM 0 HD11 ILE B 73 5.864 -11.656 -26.309 1.00 0.00 H new ATOM 0 HD12 ILE B 73 4.380 -10.676 -26.388 1.00 0.00 H new ATOM 0 HD13 ILE B 73 5.766 -10.117 -25.421 1.00 0.00 H new ATOM 835 N THR B 74 3.231 -9.295 -21.125 1.00 0.00 N ATOM 836 CA THR B 74 2.341 -8.623 -20.187 1.00 0.00 C ATOM 837 C THR B 74 2.705 -7.150 -20.044 1.00 0.00 C ATOM 838 O THR B 74 1.842 -6.275 -20.135 1.00 0.00 O ATOM 839 CB THR B 74 2.382 -9.288 -18.798 1.00 0.00 C ATOM 840 OG1 THR B 74 2.123 -10.691 -18.918 1.00 0.00 O ATOM 841 CG2 THR B 74 1.360 -8.656 -17.865 1.00 0.00 C ATOM 0 H THR B 74 3.629 -10.167 -20.777 1.00 0.00 H new ATOM 0 HA THR B 74 1.333 -8.708 -20.592 1.00 0.00 H new ATOM 0 HB THR B 74 3.376 -9.138 -18.377 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.970 -11.172 -19.024 1.00 0.00 H new ATOM 0 HG21 THR B 74 1.408 -9.142 -16.890 1.00 0.00 H new ATOM 0 HG22 THR B 74 1.578 -7.594 -17.752 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.361 -8.779 -18.283 1.00 0.00 H new ATOM 849 N LEU B 75 3.986 -6.880 -19.820 1.00 0.00 N ATOM 850 CA LEU B 75 4.464 -5.511 -19.665 1.00 0.00 C ATOM 851 C LEU B 75 4.097 -4.665 -20.879 1.00 0.00 C ATOM 852 O LEU B 75 3.545 -3.572 -20.743 1.00 0.00 O ATOM 853 CB LEU B 75 5.980 -5.499 -19.461 1.00 0.00 C ATOM 854 CG LEU B 75 6.489 -6.146 -18.172 1.00 0.00 C ATOM 855 CD1 LEU B 75 8.009 -6.195 -18.163 1.00 0.00 C ATOM 856 CD2 LEU B 75 5.971 -5.392 -16.956 1.00 0.00 C ATOM 0 H LEU B 75 4.713 -7.591 -19.742 1.00 0.00 H new ATOM 0 HA LEU B 75 3.982 -5.082 -18.787 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.444 -6.007 -20.307 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.321 -4.464 -19.484 1.00 0.00 H new ATOM 0 HG LEU B 75 6.113 -7.168 -18.128 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.353 -6.659 -17.238 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.359 -6.779 -19.014 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.406 -5.182 -18.231 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.343 -5.866 -16.048 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.317 -4.359 -16.994 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.881 -5.410 -16.954 1.00 0.00 H new ATOM 868 N ILE B 76 4.404 -5.178 -22.066 1.00 0.00 N ATOM 869 CA ILE B 76 4.103 -4.471 -23.304 1.00 0.00 C ATOM 870 C ILE B 76 2.616 -4.144 -23.403 1.00 0.00 C ATOM 871 O ILE B 76 2.239 -3.031 -23.770 1.00 0.00 O ATOM 872 CB ILE B 76 4.519 -5.294 -24.538 1.00 0.00 C ATOM 873 CG1 ILE B 76 5.984 -5.718 -24.424 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.291 -4.492 -25.811 1.00 0.00 C ATOM 875 CD1 ILE B 76 6.954 -4.557 -24.451 1.00 0.00 C ATOM 0 H ILE B 76 4.861 -6.081 -22.196 1.00 0.00 H new ATOM 0 HA ILE B 76 4.676 -3.544 -23.285 1.00 0.00 H new ATOM 0 HB ILE B 76 3.903 -6.192 -24.583 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.122 -6.274 -23.497 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.221 -6.398 -25.242 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.590 -5.087 -26.674 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.235 -4.235 -25.895 1.00 0.00 H new ATOM 0 HG23 ILE B 76 4.885 -3.579 -25.777 1.00 0.00 H new ATOM 0 HD11 ILE B 76 7.974 -4.933 -24.366 1.00 0.00 H new ATOM 0 HD12 ILE B 76 6.845 -4.013 -25.389 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.743 -3.887 -23.617 1.00 0.00 H new ATOM 887 N ILE B 77 1.778 -5.120 -23.072 1.00 0.00 N ATOM 888 CA ILE B 77 0.333 -4.934 -23.121 1.00 0.00 C ATOM 889 C ILE B 77 -0.121 -3.885 -22.112 1.00 0.00 C ATOM 890 O ILE B 77 -0.864 -2.964 -22.450 1.00 0.00 O ATOM 891 CB ILE B 77 -0.413 -6.253 -22.844 1.00 0.00 C ATOM 892 CG1 ILE B 77 -0.104 -7.278 -23.936 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.911 -6.004 -22.752 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.724 -6.942 -25.274 1.00 0.00 C ATOM 0 H ILE B 77 2.074 -6.047 -22.767 1.00 0.00 H new ATOM 0 HA ILE B 77 0.092 -4.594 -24.128 1.00 0.00 H new ATOM 0 HB ILE B 77 -0.071 -6.653 -21.890 1.00 0.00 H new ATOM 0 HG12 ILE B 77 0.977 -7.355 -24.055 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -0.460 -8.257 -23.615 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.425 -6.945 -22.556 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -2.114 -5.304 -21.942 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.269 -5.584 -23.692 1.00 0.00 H new ATOM 0 HD11 ILE B 77 -0.463 -7.712 -26.000 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -1.808 -6.893 -25.171 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -0.349 -5.978 -25.617 1.00 0.00 H new ATOM 906 N PHE B 78 0.333 -4.029 -20.871 1.00 0.00 N ATOM 907 CA PHE B 78 -0.025 -3.093 -19.812 1.00 0.00 C ATOM 908 C PHE B 78 0.324 -1.662 -20.209 1.00 0.00 C ATOM 909 O PHE B 78 -0.496 -0.754 -20.085 1.00 0.00 O ATOM 910 CB PHE B 78 0.691 -3.463 -18.511 1.00 0.00 C ATOM 911 CG PHE B 78 0.553 -2.425 -17.435 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.528 -2.446 -16.568 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.504 -1.428 -17.289 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.657 -1.491 -15.578 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.380 -0.471 -16.300 1.00 0.00 C ATOM 916 CZ PHE B 78 0.298 -0.503 -15.442 1.00 0.00 C ATOM 0 H PHE B 78 0.950 -4.785 -20.574 1.00 0.00 H new ATOM 0 HA PHE B 78 -1.102 -3.155 -19.656 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.295 -4.410 -18.144 1.00 0.00 H new ATOM 0 HB3 PHE B 78 1.749 -3.620 -18.720 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -1.278 -3.217 -16.667 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.353 -1.398 -17.956 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.505 -1.517 -14.910 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.128 0.301 -16.198 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.199 0.243 -14.667 1.00 0.00 H new ATOM 926 N GLY B 79 1.550 -1.470 -20.688 1.00 0.00 N ATOM 927 CA GLY B 79 1.988 -0.148 -21.095 1.00 0.00 C ATOM 928 C GLY B 79 1.070 0.474 -22.129 1.00 0.00 C ATOM 929 O GLY B 79 0.578 1.587 -21.944 1.00 0.00 O ATOM 0 H GLY B 79 2.247 -2.206 -20.801 1.00 0.00 H new ATOM 0 HA2 GLY B 79 2.037 0.500 -20.220 1.00 0.00 H new ATOM 0 HA3 GLY B 79 2.997 -0.212 -21.501 1.00 0.00 H new ATOM 933 N VAL B 80 0.840 -0.246 -23.223 1.00 0.00 N ATOM 934 CA VAL B 80 -0.025 0.242 -24.291 1.00 0.00 C ATOM 935 C VAL B 80 -1.451 0.446 -23.793 1.00 0.00 C ATOM 936 O VAL B 80 -2.147 1.362 -24.232 1.00 0.00 O ATOM 937 CB VAL B 80 -0.044 -0.730 -25.486 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.881 -0.163 -26.622 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.373 -1.026 -25.953 1.00 0.00 C ATOM 0 H VAL B 80 1.240 -1.169 -23.393 1.00 0.00 H new ATOM 0 HA VAL B 80 0.383 1.199 -24.617 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.499 -1.666 -25.164 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.883 -0.863 -27.457 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.903 -0.006 -26.278 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.458 0.788 -26.946 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.341 -1.714 -26.798 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.857 -0.098 -26.259 1.00 0.00 H new ATOM 0 HG23 VAL B 80 1.938 -1.478 -25.138 1.00 0.00 H new ATOM 949 N MET B 81 -1.880 -0.412 -22.874 1.00 0.00 N ATOM 950 CA MET B 81 -3.224 -0.325 -22.315 1.00 0.00 C ATOM 951 C MET B 81 -3.395 0.959 -21.509 1.00 0.00 C ATOM 952 O MET B 81 -4.386 1.672 -21.662 1.00 0.00 O ATOM 953 CB MET B 81 -3.511 -1.539 -21.429 1.00 0.00 C ATOM 954 CG MET B 81 -3.840 -2.799 -22.213 1.00 0.00 C ATOM 955 SD MET B 81 -5.551 -2.838 -22.780 1.00 0.00 S ATOM 956 CE MET B 81 -6.363 -3.558 -21.355 1.00 0.00 C ATOM 0 H MET B 81 -1.317 -1.176 -22.500 1.00 0.00 H new ATOM 0 HA MET B 81 -3.934 -0.312 -23.142 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.644 -1.730 -20.797 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.344 -1.306 -20.766 1.00 0.00 H new ATOM 0 HG2 MET B 81 -3.175 -2.871 -23.073 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.649 -3.671 -21.588 1.00 0.00 H new ATOM 0 HE1 MET B 81 -7.431 -3.648 -21.552 1.00 0.00 H new ATOM 0 HE2 MET B 81 -5.946 -4.546 -21.159 1.00 0.00 H new ATOM 0 HE3 MET B 81 -6.206 -2.919 -20.486 1.00 0.00 H new ATOM 966 N ALA B 82 -2.422 1.248 -20.650 1.00 0.00 N ATOM 967 CA ALA B 82 -2.465 2.446 -19.822 1.00 0.00 C ATOM 968 C ALA B 82 -2.365 3.707 -20.675 1.00 0.00 C ATOM 969 O ALA B 82 -3.112 4.664 -20.474 1.00 0.00 O ATOM 970 CB ALA B 82 -1.347 2.415 -18.791 1.00 0.00 C ATOM 0 H ALA B 82 -1.595 0.668 -20.510 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.423 2.465 -19.303 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.391 3.316 -18.179 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.464 1.538 -18.154 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.384 2.369 -19.300 1.00 0.00 H new ATOM 976 N GLY B 83 -1.437 3.700 -21.627 1.00 0.00 N ATOM 977 CA GLY B 83 -1.257 4.849 -22.495 1.00 0.00 C ATOM 978 C GLY B 83 -2.487 5.142 -23.331 1.00 0.00 C ATOM 979 O GLY B 83 -2.980 6.270 -23.349 1.00 0.00 O ATOM 0 H GLY B 83 -0.807 2.920 -21.813 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.016 5.723 -21.890 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.407 4.673 -23.154 1.00 0.00 H new ATOM 983 N VAL B 84 -2.984 4.125 -24.028 1.00 0.00 N ATOM 984 CA VAL B 84 -4.163 4.279 -24.871 1.00 0.00 C ATOM 985 C VAL B 84 -5.326 4.875 -24.085 1.00 0.00 C ATOM 986 O VAL B 84 -5.856 5.927 -24.443 1.00 0.00 O ATOM 987 CB VAL B 84 -4.603 2.932 -25.474 1.00 0.00 C ATOM 988 CG1 VAL B 84 -5.976 3.056 -26.116 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.576 2.440 -26.482 1.00 0.00 C ATOM 0 H VAL B 84 -2.588 3.185 -24.025 1.00 0.00 H new ATOM 0 HA VAL B 84 -3.888 4.957 -25.679 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.670 2.199 -24.670 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.269 2.094 -26.536 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.703 3.360 -25.363 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -5.941 3.803 -26.909 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.902 1.487 -26.898 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.474 3.171 -27.284 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.614 2.309 -25.987 1.00 0.00 H new ATOM 999 N ILE B 85 -5.718 4.195 -23.012 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.817 4.659 -22.174 1.00 0.00 C ATOM 1001 C ILE B 85 -6.567 6.077 -21.675 1.00 0.00 C ATOM 1002 O ILE B 85 -7.478 6.903 -21.637 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.032 3.730 -20.964 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.384 2.317 -21.434 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.126 4.282 -20.062 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -8.709 2.234 -22.160 1.00 0.00 C ATOM 0 H ILE B 85 -5.291 3.322 -22.703 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.714 4.648 -22.794 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.105 3.682 -20.392 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -6.595 1.955 -22.093 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -7.409 1.652 -20.571 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.267 3.615 -19.211 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.838 5.271 -19.704 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.057 4.356 -20.623 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -8.893 1.204 -22.464 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -9.508 2.565 -21.497 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -8.681 2.873 -23.042 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.324 6.354 -21.293 1.00 0.00 N ATOM 1019 CA GLY B 86 -4.975 7.675 -20.802 1.00 0.00 C ATOM 1020 C GLY B 86 -5.249 8.763 -21.821 1.00 0.00 C ATOM 1021 O GLY B 86 -5.917 9.753 -21.520 1.00 0.00 O ATOM 0 H GLY B 86 -4.552 5.687 -21.315 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.540 7.882 -19.893 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -3.919 7.692 -20.532 1.00 0.00 H new ATOM 1025 N THR B 87 -4.730 8.582 -23.032 1.00 0.00 N ATOM 1026 CA THR B 87 -4.919 9.558 -24.098 1.00 0.00 C ATOM 1027 C THR B 87 -6.401 9.800 -24.364 1.00 0.00 C ATOM 1028 O THR B 87 -6.831 10.942 -24.533 1.00 0.00 O ATOM 1029 CB THR B 87 -4.243 9.101 -25.404 1.00 0.00 C ATOM 1030 OG1 THR B 87 -2.992 8.467 -25.112 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.014 10.281 -26.336 1.00 0.00 C ATOM 0 H THR B 87 -4.176 7.768 -23.299 1.00 0.00 H new ATOM 0 HA THR B 87 -4.456 10.486 -23.763 1.00 0.00 H new ATOM 0 HB THR B 87 -4.903 8.390 -25.900 1.00 0.00 H new ATOM 0 HG1 THR B 87 -2.558 8.929 -24.364 1.00 0.00 H new ATOM 0 HG21 THR B 87 -3.535 9.934 -27.252 1.00 0.00 H new ATOM 0 HG22 THR B 87 -4.971 10.743 -26.579 1.00 0.00 H new ATOM 0 HG23 THR B 87 -3.372 11.013 -25.846 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.175 8.722 -24.399 1.00 0.00 N ATOM 1040 CA ILE B 88 -8.609 8.819 -24.643 1.00 0.00 C ATOM 1041 C ILE B 88 -9.275 9.753 -23.638 1.00 0.00 C ATOM 1042 O ILE B 88 -10.008 10.668 -24.017 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.287 7.438 -24.570 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -8.680 6.492 -25.609 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -10.788 7.573 -24.782 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -8.842 5.029 -25.261 1.00 0.00 C ATOM 0 H ILE B 88 -6.834 7.771 -24.262 1.00 0.00 H new ATOM 0 HA ILE B 88 -8.732 9.222 -25.648 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.116 7.017 -23.579 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -9.145 6.681 -26.576 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -7.619 6.716 -25.717 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.253 6.589 -24.728 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.208 8.216 -24.009 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -10.979 8.011 -25.762 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -8.389 4.417 -26.041 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -8.352 4.825 -24.309 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -9.902 4.789 -25.182 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.015 9.518 -22.357 1.00 0.00 N ATOM 1059 CA LEU B 89 -9.588 10.340 -21.297 1.00 0.00 C ATOM 1060 C LEU B 89 -9.230 11.810 -21.493 1.00 0.00 C ATOM 1061 O LEU B 89 -10.105 12.676 -21.517 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.094 9.861 -19.930 1.00 0.00 C ATOM 1063 CG LEU B 89 -9.732 8.578 -19.398 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -8.832 7.924 -18.361 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.105 8.869 -18.808 1.00 0.00 C ATOM 0 H LEU B 89 -8.411 8.765 -22.027 1.00 0.00 H new ATOM 0 HA LEU B 89 -10.673 10.241 -21.340 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.016 9.710 -19.988 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.266 10.656 -19.205 1.00 0.00 H new ATOM 0 HG LEU B 89 -9.856 7.885 -20.230 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.303 7.012 -17.994 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -7.872 7.679 -18.815 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -8.675 8.611 -17.530 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.544 7.944 -18.434 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.005 9.580 -17.988 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -11.750 9.291 -19.579 1.00 0.00 H new ATOM 1077 N LEU B 90 -7.938 12.084 -21.636 1.00 0.00 N ATOM 1078 CA LEU B 90 -7.463 13.449 -21.833 1.00 0.00 C ATOM 1079 C LEU B 90 -8.105 14.076 -23.067 1.00 0.00 C ATOM 1080 O LEU B 90 -8.639 15.184 -23.005 1.00 0.00 O ATOM 1081 CB LEU B 90 -5.940 13.465 -21.974 1.00 0.00 C ATOM 1082 CG LEU B 90 -5.150 12.925 -20.781 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -3.809 12.370 -21.236 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -4.952 14.013 -19.736 1.00 0.00 C ATOM 0 H LEU B 90 -7.201 11.379 -21.619 1.00 0.00 H new ATOM 0 HA LEU B 90 -7.747 14.036 -20.959 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -5.671 12.884 -22.856 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -5.623 14.491 -22.160 1.00 0.00 H new ATOM 0 HG LEU B 90 -5.721 12.114 -20.329 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -3.261 11.990 -20.374 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -3.973 11.560 -21.947 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -3.231 13.161 -21.714 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -4.388 13.611 -18.894 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -4.403 14.845 -20.177 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -5.923 14.364 -19.387 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.051 13.360 -24.184 1.00 0.00 N ATOM 1097 CA ILE B 91 -8.630 13.845 -25.431 1.00 0.00 C ATOM 1098 C ILE B 91 -10.112 14.162 -25.261 1.00 0.00 C ATOM 1099 O ILE B 91 -10.577 15.233 -25.650 1.00 0.00 O ATOM 1100 CB ILE B 91 -8.463 12.818 -26.566 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -6.984 12.656 -26.923 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -9.264 13.244 -27.788 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -6.685 11.392 -27.698 1.00 0.00 C ATOM 0 H ILE B 91 -7.612 12.442 -24.252 1.00 0.00 H new ATOM 0 HA ILE B 91 -8.093 14.756 -25.695 1.00 0.00 H new ATOM 0 HB ILE B 91 -8.843 11.855 -26.224 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -6.664 13.517 -27.510 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -6.395 12.658 -26.006 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -9.136 12.508 -28.582 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -10.319 13.314 -27.525 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -8.911 14.216 -28.134 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -5.618 11.343 -27.917 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -6.974 10.524 -27.105 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -7.247 11.396 -28.632 1.00 0.00 H new ATOM 1115 N SER B 92 -10.849 13.223 -24.676 1.00 0.00 N ATOM 1116 CA SER B 92 -12.280 13.401 -24.456 1.00 0.00 C ATOM 1117 C SER B 92 -12.554 14.681 -23.672 1.00 0.00 C ATOM 1118 O SER B 92 -13.600 15.310 -23.835 1.00 0.00 O ATOM 1119 CB SER B 92 -12.856 12.198 -23.707 1.00 0.00 C ATOM 1120 OG SER B 92 -14.081 12.528 -23.076 1.00 0.00 O ATOM 0 H SER B 92 -10.479 12.332 -24.346 1.00 0.00 H new ATOM 0 HA SER B 92 -12.765 13.480 -25.429 1.00 0.00 H new ATOM 0 HB2 SER B 92 -13.012 11.374 -24.403 1.00 0.00 H new ATOM 0 HB3 SER B 92 -12.140 11.854 -22.961 1.00 0.00 H new ATOM 0 HG SER B 92 -14.429 11.742 -22.606 1.00 0.00 H new ATOM 1126 N TYR B 93 -11.607 15.060 -22.821 1.00 0.00 N ATOM 1127 CA TYR B 93 -11.746 16.263 -22.009 1.00 0.00 C ATOM 1128 C TYR B 93 -11.590 17.517 -22.863 1.00 0.00 C ATOM 1129 O TYR B 93 -12.269 18.520 -22.645 1.00 0.00 O ATOM 1130 CB TYR B 93 -10.711 16.266 -20.884 1.00 0.00 C ATOM 1131 CG TYR B 93 -11.278 15.876 -19.538 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -11.976 14.685 -19.375 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -11.118 16.698 -18.429 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -12.497 14.325 -18.147 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -11.634 16.345 -17.197 1.00 0.00 C ATOM 1136 CZ TYR B 93 -12.323 15.158 -17.061 1.00 0.00 C ATOM 1137 OH TYR B 93 -12.840 14.803 -15.836 1.00 0.00 O ATOM 0 H TYR B 93 -10.735 14.551 -22.676 1.00 0.00 H new ATOM 0 HA TYR B 93 -12.745 16.264 -21.574 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -9.905 15.579 -21.142 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -10.271 17.260 -20.809 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -12.113 14.030 -20.223 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -10.581 17.629 -18.532 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -13.038 13.396 -18.038 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -11.499 16.995 -16.345 1.00 0.00 H new ATOM 0 HH TYR B 93 -12.629 15.498 -15.178 1.00 0.00 H new ATOM 1147 N GLY B 94 -10.689 17.453 -23.839 1.00 0.00 N ATOM 1148 CA GLY B 94 -10.458 18.589 -24.712 1.00 0.00 C ATOM 1149 C GLY B 94 -11.670 18.924 -25.559 1.00 0.00 C ATOM 1150 O GLY B 94 -11.950 20.095 -25.817 1.00 0.00 O ATOM 0 H GLY B 94 -10.115 16.634 -24.040 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -10.188 19.457 -24.110 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -9.610 18.376 -25.364 1.00 0.00 H new ATOM 1154 N ILE B 95 -12.390 17.895 -25.993 1.00 0.00 N ATOM 1155 CA ILE B 95 -13.577 18.087 -26.815 1.00 0.00 C ATOM 1156 C ILE B 95 -14.674 18.809 -26.039 1.00 0.00 C ATOM 1157 O ILE B 95 -15.474 19.546 -26.615 1.00 0.00 O ATOM 1158 CB ILE B 95 -14.128 16.744 -27.331 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -13.072 16.024 -28.171 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -15.396 16.968 -28.142 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -12.625 16.810 -29.384 1.00 0.00 C ATOM 0 H ILE B 95 -12.171 16.920 -25.789 1.00 0.00 H new ATOM 0 HA ILE B 95 -13.275 18.698 -27.666 1.00 0.00 H new ATOM 0 HB ILE B 95 -14.374 16.116 -26.475 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -12.205 15.812 -27.546 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -13.472 15.064 -28.497 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -15.773 16.010 -28.500 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -16.150 17.443 -27.515 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -15.174 17.611 -28.994 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -11.876 16.239 -29.932 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -13.482 16.999 -30.031 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -12.195 17.759 -29.064 1.00 0.00 H new ATOM 1173 N ARG B 96 -14.703 18.593 -24.728 1.00 0.00 N ATOM 1174 CA ARG B 96 -15.700 19.223 -23.872 1.00 0.00 C ATOM 1175 C ARG B 96 -15.379 20.699 -23.658 1.00 0.00 C ATOM 1176 O ARG B 96 -16.263 21.553 -23.728 1.00 0.00 O ATOM 1177 CB ARG B 96 -15.771 18.505 -22.522 1.00 0.00 C ATOM 1178 CG ARG B 96 -17.185 18.366 -21.980 1.00 0.00 C ATOM 1179 CD ARG B 96 -18.047 17.504 -22.889 1.00 0.00 C ATOM 1180 NE ARG B 96 -18.580 16.337 -22.192 1.00 0.00 N ATOM 1181 CZ ARG B 96 -19.647 16.376 -21.402 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -20.293 17.518 -21.211 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -20.071 15.271 -20.802 1.00 0.00 N ATOM 0 H ARG B 96 -14.047 17.986 -24.236 1.00 0.00 H new ATOM 0 HA ARG B 96 -16.668 19.148 -24.368 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -15.331 17.513 -22.624 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -15.165 19.050 -21.798 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -17.152 17.926 -20.983 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -17.636 19.353 -21.878 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -18.871 18.101 -23.280 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -17.457 17.177 -23.745 1.00 0.00 H new ATOM 0 HE ARG B 96 -18.107 15.442 -22.319 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -19.971 18.369 -21.671 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -21.112 17.545 -20.604 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -19.577 14.390 -20.947 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -20.891 15.302 -20.196 1.00 0.00 H new ATOM 1197 N ARG B 97 -14.109 20.992 -23.398 1.00 0.00 N ATOM 1198 CA ARG B 97 -13.671 22.364 -23.173 1.00 0.00 C ATOM 1199 C ARG B 97 -14.058 22.835 -21.774 1.00 0.00 C ATOM 1200 O ARG B 97 -13.257 23.456 -21.074 1.00 0.00 O ATOM 1201 CB ARG B 97 -14.281 23.295 -24.223 1.00 0.00 C ATOM 1202 CG ARG B 97 -13.358 24.426 -24.644 1.00 0.00 C ATOM 1203 CD ARG B 97 -13.566 25.664 -23.785 1.00 0.00 C ATOM 1204 NE ARG B 97 -12.570 26.696 -24.060 1.00 0.00 N ATOM 1205 CZ ARG B 97 -12.307 27.702 -23.235 1.00 0.00 C ATOM 1206 NH1 ARG B 97 -12.963 27.812 -22.087 1.00 0.00 N ATOM 1207 NH2 ARG B 97 -11.386 28.602 -23.555 1.00 0.00 N ATOM 0 H ARG B 97 -13.365 20.297 -23.338 1.00 0.00 H new ATOM 0 HA ARG B 97 -12.585 22.392 -23.260 1.00 0.00 H new ATOM 0 HB2 ARG B 97 -14.550 22.710 -25.103 1.00 0.00 H new ATOM 0 HB3 ARG B 97 -15.204 23.719 -23.828 1.00 0.00 H new ATOM 0 HG2 ARG B 97 -12.321 24.099 -24.567 1.00 0.00 H new ATOM 0 HG3 ARG B 97 -13.538 24.673 -25.690 1.00 0.00 H new ATOM 0 HD2 ARG B 97 -14.563 26.066 -23.964 1.00 0.00 H new ATOM 0 HD3 ARG B 97 -13.519 25.386 -22.732 1.00 0.00 H new ATOM 0 HE ARG B 97 -12.048 26.641 -24.934 1.00 0.00 H new ATOM 0 HH11 ARG B 97 -13.672 27.122 -21.836 1.00 0.00 H new ATOM 0 HH12 ARG B 97 -12.759 28.586 -21.455 1.00 0.00 H new ATOM 0 HH21 ARG B 97 -10.879 28.521 -24.436 1.00 0.00 H new ATOM 0 HH22 ARG B 97 -11.185 29.374 -22.920 1.00 0.00 H new ATOM 1221 N LEU B 98 -15.289 22.537 -21.374 1.00 0.00 N ATOM 1222 CA LEU B 98 -15.782 22.930 -20.059 1.00 0.00 C ATOM 1223 C LEU B 98 -15.179 22.053 -18.966 1.00 0.00 C ATOM 1224 O LEU B 98 -13.959 21.946 -18.845 1.00 0.00 O ATOM 1225 CB LEU B 98 -17.309 22.840 -20.017 1.00 0.00 C ATOM 1226 CG LEU B 98 -17.946 22.884 -18.628 1.00 0.00 C ATOM 1227 CD1 LEU B 98 -19.217 23.719 -18.650 1.00 0.00 C ATOM 1228 CD2 LEU B 98 -18.239 21.476 -18.130 1.00 0.00 C ATOM 0 H LEU B 98 -15.964 22.024 -21.941 1.00 0.00 H new ATOM 0 HA LEU B 98 -15.480 23.962 -19.879 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -17.718 23.659 -20.608 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -17.612 21.913 -20.504 1.00 0.00 H new ATOM 0 HG LEU B 98 -17.241 23.351 -17.941 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -19.657 23.739 -17.653 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -18.979 24.736 -18.962 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -19.928 23.281 -19.351 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -18.692 21.527 -17.140 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -18.925 20.982 -18.818 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -17.310 20.909 -18.075 1.00 0.00 H new TER 1240 LEU B 98