USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 664 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 Set 1.1: A 46 MET CE :methyl -150:sc= -1.48 (180deg=0) USER MOD Set 1.2: B 121 MET CE :methyl -162:sc= -3.98 (180deg=-2.06) USER MOD Set 2.1: A 81 MET CE :methyl -152:sc= -0.724! (180deg=-2.65!) USER MOD Set 2.2: A 82 MET CE :methyl -131:sc= -7.26! (180deg=-12.7!) USER MOD Set 3.1: A 18 MET CE :methyl 163:sc= -4.52 (180deg=-2.25) USER MOD Set 3.2: A 86 MET CE :methyl -174:sc= -11.6! (180deg=-10.4!) USER MOD Single : A 6 GLN : amide:sc= -2.63 K(o=-2.6,f=-4.7!) USER MOD Single : A 7 GLN : amide:sc= -0.157 K(o=-0.16,f=-1.1) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -148:sc= 0 (180deg=-0.029) USER MOD Single : A 38 SER OG : rot 35:sc= 0.233 USER MOD Single : A 39 THR OG1 : rot -170:sc= -0.954 USER MOD Single : A 40 LYS NZ :NH3+ 164:sc=-0.00396 (180deg=-0.0814) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= -9.52! (180deg=-9.52!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.136 K(o=-0.14,f=-1.3!) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.228 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -132:sc= 0.566 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 85 GLN : amide:sc= -0.374 K(o=-0.37,f=-3.9!) USER MOD Single : A 87 LYS NZ :NH3+ -146:sc= -0.858 (180deg=-2.7!) USER MOD Single : B 117 SER OG : rot 180:sc=-0.00503 USER MOD ----------------------------------------------------------------- ATOM 67 N GLN A 6 -14.270 2.791 -1.297 1.00 0.00 N ATOM 68 CA GLN A 6 -13.207 2.769 -0.294 1.00 0.00 C ATOM 69 C GLN A 6 -11.868 3.187 -0.896 1.00 0.00 C ATOM 70 O GLN A 6 -11.084 3.890 -0.259 1.00 0.00 O ATOM 71 CB GLN A 6 -13.089 1.374 0.324 1.00 0.00 C ATOM 72 CG GLN A 6 -12.645 0.306 -0.662 1.00 0.00 C ATOM 73 CD GLN A 6 -12.583 -1.073 -0.037 1.00 0.00 C ATOM 74 OE1 GLN A 6 -11.565 -1.760 -0.117 1.00 0.00 O ATOM 75 NE2 GLN A 6 -13.677 -1.488 0.594 1.00 0.00 N ATOM 0 HA GLN A 6 -13.468 3.486 0.485 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -12.379 1.411 1.150 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.053 1.090 0.745 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.334 0.288 -1.507 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.663 0.567 -1.057 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -14.500 -0.887 0.637 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -13.693 -2.408 1.035 1.00 0.00 H new ATOM 84 N GLN A 7 -11.617 2.757 -2.129 1.00 0.00 N ATOM 85 CA GLN A 7 -10.372 3.096 -2.817 1.00 0.00 C ATOM 86 C GLN A 7 -10.280 4.598 -3.067 1.00 0.00 C ATOM 87 O GLN A 7 -9.202 5.127 -3.342 1.00 0.00 O ATOM 88 CB GLN A 7 -10.269 2.352 -4.150 1.00 0.00 C ATOM 89 CG GLN A 7 -10.799 0.926 -4.106 1.00 0.00 C ATOM 90 CD GLN A 7 -12.034 0.736 -4.966 1.00 0.00 C ATOM 91 OE1 GLN A 7 -12.777 1.683 -5.223 1.00 0.00 O ATOM 92 NE2 GLN A 7 -12.257 -0.493 -5.417 1.00 0.00 N ATOM 0 H GLN A 7 -12.255 2.175 -2.672 1.00 0.00 H new ATOM 0 HA GLN A 7 -9.547 2.792 -2.173 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -10.818 2.909 -4.909 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.225 2.331 -4.463 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -10.019 0.242 -4.441 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -11.034 0.661 -3.075 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.614 -1.248 -5.179 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -13.071 -0.682 -6.002 1.00 0.00 H new ATOM 101 N ALA A 8 -11.416 5.278 -2.974 1.00 0.00 N ATOM 102 CA ALA A 8 -11.465 6.715 -3.194 1.00 0.00 C ATOM 103 C ALA A 8 -11.246 7.480 -1.894 1.00 0.00 C ATOM 104 O ALA A 8 -10.412 8.383 -1.828 1.00 0.00 O ATOM 105 CB ALA A 8 -12.795 7.103 -3.825 1.00 0.00 C ATOM 0 H ALA A 8 -12.316 4.855 -2.747 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.659 6.983 -3.877 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.821 8.181 -3.985 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.907 6.591 -4.781 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.610 6.815 -3.161 1.00 0.00 H new ATOM 111 N GLU A 9 -11.999 7.113 -0.862 1.00 0.00 N ATOM 112 CA GLU A 9 -11.883 7.765 0.439 1.00 0.00 C ATOM 113 C GLU A 9 -10.461 7.645 0.969 1.00 0.00 C ATOM 114 O GLU A 9 -9.898 8.605 1.490 1.00 0.00 O ATOM 115 CB GLU A 9 -12.868 7.149 1.435 1.00 0.00 C ATOM 116 CG GLU A 9 -14.313 7.191 0.967 1.00 0.00 C ATOM 117 CD GLU A 9 -15.200 6.225 1.727 1.00 0.00 C ATOM 118 OE1 GLU A 9 -14.672 5.221 2.252 1.00 0.00 O ATOM 119 OE2 GLU A 9 -16.422 6.472 1.801 1.00 0.00 O ATOM 0 H GLU A 9 -12.695 6.369 -0.900 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.123 8.821 0.316 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.585 6.113 1.620 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.787 7.676 2.386 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.700 8.203 1.085 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.354 6.956 -0.097 1.00 0.00 H new ATOM 126 N ALA A 10 -9.887 6.454 0.821 1.00 0.00 N ATOM 127 CA ALA A 10 -8.526 6.182 1.267 1.00 0.00 C ATOM 128 C ALA A 10 -7.582 7.330 0.918 1.00 0.00 C ATOM 129 O ALA A 10 -6.947 7.915 1.795 1.00 0.00 O ATOM 130 CB ALA A 10 -8.039 4.891 0.637 1.00 0.00 C ATOM 0 H ALA A 10 -10.351 5.654 0.390 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.533 6.082 2.352 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.021 4.685 0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.691 4.071 0.937 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.054 4.988 -0.449 1.00 0.00 H new ATOM 136 N ARG A 11 -7.499 7.651 -0.371 1.00 0.00 N ATOM 137 CA ARG A 11 -6.638 8.732 -0.838 1.00 0.00 C ATOM 138 C ARG A 11 -6.924 10.019 -0.071 1.00 0.00 C ATOM 139 O ARG A 11 -6.040 10.856 0.113 1.00 0.00 O ATOM 140 CB ARG A 11 -6.839 8.958 -2.340 1.00 0.00 C ATOM 141 CG ARG A 11 -5.577 8.754 -3.161 1.00 0.00 C ATOM 142 CD ARG A 11 -5.742 9.281 -4.577 1.00 0.00 C ATOM 143 NE ARG A 11 -4.587 8.972 -5.416 1.00 0.00 N ATOM 144 CZ ARG A 11 -4.425 9.433 -6.654 1.00 0.00 C ATOM 145 NH1 ARG A 11 -5.340 10.224 -7.200 1.00 0.00 N ATOM 146 NH2 ARG A 11 -3.344 9.104 -7.348 1.00 0.00 N ATOM 0 H ARG A 11 -8.018 7.177 -1.110 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.601 8.447 -0.659 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.611 8.278 -2.701 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.207 9.972 -2.500 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.742 9.261 -2.678 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.330 7.693 -3.193 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.639 8.849 -5.022 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.889 10.361 -4.547 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.862 8.367 -5.030 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.173 10.482 -6.670 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.210 10.574 -8.149 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.637 8.498 -6.933 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.220 9.457 -8.297 1.00 0.00 H new ATOM 160 N ALA A 12 -8.166 10.165 0.378 1.00 0.00 N ATOM 161 CA ALA A 12 -8.576 11.342 1.130 1.00 0.00 C ATOM 162 C ALA A 12 -8.378 11.135 2.629 1.00 0.00 C ATOM 163 O ALA A 12 -8.275 12.098 3.388 1.00 0.00 O ATOM 164 CB ALA A 12 -10.029 11.677 0.831 1.00 0.00 C ATOM 0 H ALA A 12 -8.907 9.480 0.233 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.948 12.177 0.820 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.323 12.559 1.400 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.145 11.877 -0.234 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.662 10.836 1.113 1.00 0.00 H new ATOM 170 N PHE A 13 -8.326 9.874 3.052 1.00 0.00 N ATOM 171 CA PHE A 13 -8.142 9.551 4.463 1.00 0.00 C ATOM 172 C PHE A 13 -6.728 9.895 4.925 1.00 0.00 C ATOM 173 O PHE A 13 -6.477 10.041 6.122 1.00 0.00 O ATOM 174 CB PHE A 13 -8.424 8.068 4.708 1.00 0.00 C ATOM 175 CG PHE A 13 -9.857 7.782 5.058 1.00 0.00 C ATOM 176 CD1 PHE A 13 -10.444 8.369 6.167 1.00 0.00 C ATOM 177 CD2 PHE A 13 -10.617 6.928 4.275 1.00 0.00 C ATOM 178 CE1 PHE A 13 -11.763 8.110 6.489 1.00 0.00 C ATOM 179 CE2 PHE A 13 -11.937 6.664 4.592 1.00 0.00 C ATOM 180 CZ PHE A 13 -12.509 7.256 5.702 1.00 0.00 C ATOM 0 H PHE A 13 -8.408 9.062 2.440 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.847 10.150 5.040 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.156 7.503 3.815 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.783 7.712 5.515 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.864 9.037 6.787 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -10.173 6.463 3.407 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -12.209 8.575 7.355 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -12.519 5.997 3.974 1.00 0.00 H new ATOM 0 HZ PHE A 13 -13.539 7.051 5.954 1.00 0.00 H new ATOM 190 N LEU A 14 -5.808 10.022 3.973 1.00 0.00 N ATOM 191 CA LEU A 14 -4.423 10.348 4.290 1.00 0.00 C ATOM 192 C LEU A 14 -4.028 11.697 3.701 1.00 0.00 C ATOM 193 O LEU A 14 -4.703 12.221 2.814 1.00 0.00 O ATOM 194 CB LEU A 14 -3.489 9.258 3.760 1.00 0.00 C ATOM 195 CG LEU A 14 -3.964 7.827 4.008 1.00 0.00 C ATOM 196 CD1 LEU A 14 -3.215 6.853 3.111 1.00 0.00 C ATOM 197 CD2 LEU A 14 -3.783 7.455 5.472 1.00 0.00 C ATOM 0 H LEU A 14 -5.997 9.904 2.978 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.331 10.406 5.375 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.359 9.401 2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.509 9.385 4.220 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.025 7.767 3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.566 5.839 3.302 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.394 7.109 2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.147 6.912 3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.126 6.433 5.633 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.729 7.530 5.739 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.364 8.135 6.095 1.00 0.00 H new ATOM 209 N SER A 15 -2.927 12.251 4.196 1.00 0.00 N ATOM 210 CA SER A 15 -2.434 13.536 3.716 1.00 0.00 C ATOM 211 C SER A 15 -1.661 13.361 2.417 1.00 0.00 C ATOM 212 O SER A 15 -1.250 12.252 2.076 1.00 0.00 O ATOM 213 CB SER A 15 -1.530 14.184 4.768 1.00 0.00 C ATOM 214 OG SER A 15 -1.682 15.594 4.773 1.00 0.00 O ATOM 0 H SER A 15 -2.358 11.829 4.930 1.00 0.00 H new ATOM 0 HA SER A 15 -3.292 14.183 3.532 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.770 13.786 5.754 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.490 13.928 4.566 1.00 0.00 H new ATOM 0 HG SER A 15 -1.095 15.984 5.454 1.00 0.00 H new ATOM 220 N GLU A 16 -1.447 14.461 1.699 1.00 0.00 N ATOM 221 CA GLU A 16 -0.700 14.413 0.445 1.00 0.00 C ATOM 222 C GLU A 16 0.614 13.665 0.648 1.00 0.00 C ATOM 223 O GLU A 16 1.149 13.055 -0.278 1.00 0.00 O ATOM 224 CB GLU A 16 -0.426 15.829 -0.068 1.00 0.00 C ATOM 225 CG GLU A 16 -1.486 16.343 -1.027 1.00 0.00 C ATOM 226 CD GLU A 16 -2.706 16.889 -0.311 1.00 0.00 C ATOM 227 OE1 GLU A 16 -2.581 17.935 0.362 1.00 0.00 O ATOM 228 OE2 GLU A 16 -3.785 16.272 -0.421 1.00 0.00 O ATOM 0 H GLU A 16 -1.777 15.390 1.961 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.298 13.884 -0.297 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.357 16.508 0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.543 15.845 -0.568 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.056 17.125 -1.652 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.791 15.535 -1.692 1.00 0.00 H new ATOM 235 N GLU A 17 1.116 13.712 1.879 1.00 0.00 N ATOM 236 CA GLU A 17 2.355 13.038 2.236 1.00 0.00 C ATOM 237 C GLU A 17 2.222 11.530 2.043 1.00 0.00 C ATOM 238 O GLU A 17 2.975 10.922 1.283 1.00 0.00 O ATOM 239 CB GLU A 17 2.712 13.348 3.691 1.00 0.00 C ATOM 240 CG GLU A 17 3.662 14.525 3.847 1.00 0.00 C ATOM 241 CD GLU A 17 3.022 15.702 4.558 1.00 0.00 C ATOM 242 OE1 GLU A 17 2.547 15.521 5.699 1.00 0.00 O ATOM 243 OE2 GLU A 17 2.994 16.805 3.973 1.00 0.00 O ATOM 0 H GLU A 17 0.677 14.215 2.650 1.00 0.00 H new ATOM 0 HA GLU A 17 3.149 13.401 1.584 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.796 13.555 4.245 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.164 12.465 4.142 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.543 14.205 4.403 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.005 14.843 2.862 1.00 0.00 H new ATOM 250 N MET A 18 1.257 10.935 2.737 1.00 0.00 N ATOM 251 CA MET A 18 1.020 9.498 2.645 1.00 0.00 C ATOM 252 C MET A 18 0.719 9.082 1.206 1.00 0.00 C ATOM 253 O MET A 18 0.888 7.919 0.840 1.00 0.00 O ATOM 254 CB MET A 18 -0.138 9.092 3.562 1.00 0.00 C ATOM 255 CG MET A 18 0.104 7.793 4.316 1.00 0.00 C ATOM 256 SD MET A 18 1.184 8.003 5.745 1.00 0.00 S ATOM 257 CE MET A 18 0.696 6.606 6.758 1.00 0.00 C ATOM 0 H MET A 18 0.626 11.426 3.370 1.00 0.00 H new ATOM 0 HA MET A 18 1.926 8.985 2.966 1.00 0.00 H new ATOM 0 HB2 MET A 18 -0.317 9.891 4.281 1.00 0.00 H new ATOM 0 HB3 MET A 18 -1.044 8.991 2.965 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.852 7.387 4.646 1.00 0.00 H new ATOM 0 HG3 MET A 18 0.544 7.062 3.638 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.459 6.421 7.514 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.254 6.825 7.246 1.00 0.00 H new ATOM 0 HE3 MET A 18 0.586 5.722 6.130 1.00 0.00 H new ATOM 267 N ILE A 19 0.282 10.039 0.389 1.00 0.00 N ATOM 268 CA ILE A 19 -0.031 9.766 -1.009 1.00 0.00 C ATOM 269 C ILE A 19 1.238 9.781 -1.854 1.00 0.00 C ATOM 270 O ILE A 19 1.634 8.762 -2.418 1.00 0.00 O ATOM 271 CB ILE A 19 -1.037 10.792 -1.577 1.00 0.00 C ATOM 272 CG1 ILE A 19 -2.431 10.540 -0.998 1.00 0.00 C ATOM 273 CG2 ILE A 19 -1.071 10.731 -3.100 1.00 0.00 C ATOM 274 CD1 ILE A 19 -3.459 11.561 -1.436 1.00 0.00 C ATOM 0 H ILE A 19 0.137 11.008 0.672 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.486 8.776 -1.051 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.713 11.791 -1.286 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.766 9.547 -1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.370 10.541 0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.786 11.462 -3.478 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.080 10.955 -3.495 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.371 9.732 -3.418 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.424 11.321 -0.989 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.146 12.554 -1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.549 11.544 -2.522 1.00 0.00 H new ATOM 286 N ALA A 20 1.878 10.943 -1.931 1.00 0.00 N ATOM 287 CA ALA A 20 3.106 11.091 -2.701 1.00 0.00 C ATOM 288 C ALA A 20 4.100 9.984 -2.359 1.00 0.00 C ATOM 289 O ALA A 20 4.943 9.613 -3.177 1.00 0.00 O ATOM 290 CB ALA A 20 3.719 12.457 -2.446 1.00 0.00 C ATOM 0 H ALA A 20 1.565 11.797 -1.469 1.00 0.00 H new ATOM 0 HA ALA A 20 2.862 11.007 -3.760 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.636 12.558 -3.026 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.014 13.233 -2.744 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.947 12.561 -1.385 1.00 0.00 H new ATOM 296 N GLU A 21 3.982 9.452 -1.146 1.00 0.00 N ATOM 297 CA GLU A 21 4.850 8.379 -0.688 1.00 0.00 C ATOM 298 C GLU A 21 4.269 7.025 -1.088 1.00 0.00 C ATOM 299 O GLU A 21 5.005 6.072 -1.344 1.00 0.00 O ATOM 300 CB GLU A 21 5.025 8.456 0.829 1.00 0.00 C ATOM 301 CG GLU A 21 5.587 9.785 1.308 1.00 0.00 C ATOM 302 CD GLU A 21 5.338 10.027 2.784 1.00 0.00 C ATOM 303 OE1 GLU A 21 5.786 9.199 3.604 1.00 0.00 O ATOM 304 OE2 GLU A 21 4.696 11.044 3.119 1.00 0.00 O ATOM 0 H GLU A 21 3.288 9.751 -0.461 1.00 0.00 H new ATOM 0 HA GLU A 21 5.827 8.491 -1.158 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.061 8.285 1.307 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.688 7.653 1.152 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.659 9.812 1.115 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.139 10.594 0.731 1.00 0.00 H new ATOM 311 N PHE A 22 2.941 6.955 -1.153 1.00 0.00 N ATOM 312 CA PHE A 22 2.256 5.727 -1.540 1.00 0.00 C ATOM 313 C PHE A 22 2.662 5.331 -2.955 1.00 0.00 C ATOM 314 O PHE A 22 2.788 4.148 -3.274 1.00 0.00 O ATOM 315 CB PHE A 22 0.731 5.915 -1.431 1.00 0.00 C ATOM 316 CG PHE A 22 -0.039 5.616 -2.694 1.00 0.00 C ATOM 317 CD1 PHE A 22 0.039 6.463 -3.789 1.00 0.00 C ATOM 318 CD2 PHE A 22 -0.842 4.490 -2.782 1.00 0.00 C ATOM 319 CE1 PHE A 22 -0.668 6.193 -4.944 1.00 0.00 C ATOM 320 CE2 PHE A 22 -1.552 4.215 -3.935 1.00 0.00 C ATOM 321 CZ PHE A 22 -1.464 5.067 -5.018 1.00 0.00 C ATOM 0 H PHE A 22 2.319 7.735 -0.942 1.00 0.00 H new ATOM 0 HA PHE A 22 2.546 4.923 -0.864 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.357 5.272 -0.634 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.527 6.944 -1.134 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.660 7.345 -3.738 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.914 3.819 -1.939 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.598 6.862 -5.789 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.175 3.335 -3.989 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.017 4.853 -5.921 1.00 0.00 H new ATOM 331 N LYS A 23 2.873 6.337 -3.795 1.00 0.00 N ATOM 332 CA LYS A 23 3.276 6.114 -5.176 1.00 0.00 C ATOM 333 C LYS A 23 4.769 5.792 -5.262 1.00 0.00 C ATOM 334 O LYS A 23 5.271 5.415 -6.321 1.00 0.00 O ATOM 335 CB LYS A 23 2.955 7.348 -6.022 1.00 0.00 C ATOM 336 CG LYS A 23 2.910 7.067 -7.516 1.00 0.00 C ATOM 337 CD LYS A 23 1.556 6.522 -7.941 1.00 0.00 C ATOM 338 CE LYS A 23 1.095 7.138 -9.253 1.00 0.00 C ATOM 339 NZ LYS A 23 0.397 6.148 -10.117 1.00 0.00 N ATOM 0 H LYS A 23 2.771 7.320 -3.541 1.00 0.00 H new ATOM 0 HA LYS A 23 2.719 5.261 -5.563 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.993 7.753 -5.708 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.703 8.116 -5.828 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.123 7.984 -8.066 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.689 6.351 -7.776 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.616 5.439 -8.047 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.820 6.726 -7.163 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.427 7.974 -9.046 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.956 7.542 -9.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.099 6.608 -11.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.042 5.362 -10.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.439 5.781 -9.619 1.00 0.00 H new ATOM 353 N ALA A 24 5.474 5.952 -4.142 1.00 0.00 N ATOM 354 CA ALA A 24 6.910 5.687 -4.089 1.00 0.00 C ATOM 355 C ALA A 24 7.257 4.302 -4.631 1.00 0.00 C ATOM 356 O ALA A 24 7.835 4.176 -5.711 1.00 0.00 O ATOM 357 CB ALA A 24 7.415 5.831 -2.659 1.00 0.00 C ATOM 0 H ALA A 24 5.072 6.264 -3.258 1.00 0.00 H new ATOM 0 HA ALA A 24 7.403 6.421 -4.726 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.486 5.632 -2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.225 6.845 -2.306 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.896 5.120 -2.016 1.00 0.00 H new ATOM 363 N ALA A 25 6.920 3.268 -3.868 1.00 0.00 N ATOM 364 CA ALA A 25 7.213 1.893 -4.261 1.00 0.00 C ATOM 365 C ALA A 25 6.207 1.357 -5.280 1.00 0.00 C ATOM 366 O ALA A 25 6.319 0.215 -5.725 1.00 0.00 O ATOM 367 CB ALA A 25 7.247 0.998 -3.032 1.00 0.00 C ATOM 0 H ALA A 25 6.442 3.356 -2.971 1.00 0.00 H new ATOM 0 HA ALA A 25 8.191 1.890 -4.742 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.466 -0.026 -3.334 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.020 1.348 -2.348 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.279 1.030 -2.532 1.00 0.00 H new ATOM 373 N PHE A 26 5.224 2.176 -5.645 1.00 0.00 N ATOM 374 CA PHE A 26 4.206 1.765 -6.608 1.00 0.00 C ATOM 375 C PHE A 26 4.836 1.230 -7.895 1.00 0.00 C ATOM 376 O PHE A 26 4.224 0.439 -8.612 1.00 0.00 O ATOM 377 CB PHE A 26 3.278 2.936 -6.931 1.00 0.00 C ATOM 378 CG PHE A 26 2.006 2.523 -7.616 1.00 0.00 C ATOM 379 CD1 PHE A 26 2.015 2.132 -8.945 1.00 0.00 C ATOM 380 CD2 PHE A 26 0.803 2.526 -6.929 1.00 0.00 C ATOM 381 CE1 PHE A 26 0.846 1.751 -9.576 1.00 0.00 C ATOM 382 CE2 PHE A 26 -0.369 2.147 -7.556 1.00 0.00 C ATOM 383 CZ PHE A 26 -0.347 1.759 -8.882 1.00 0.00 C ATOM 0 H PHE A 26 5.111 3.125 -5.290 1.00 0.00 H new ATOM 0 HA PHE A 26 3.627 0.960 -6.154 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.030 3.458 -6.007 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.809 3.645 -7.566 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.945 2.125 -9.494 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.781 2.828 -5.892 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.866 1.447 -10.612 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.301 2.154 -7.010 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.261 1.463 -9.374 1.00 0.00 H new ATOM 393 N ASP A 27 6.059 1.667 -8.182 1.00 0.00 N ATOM 394 CA ASP A 27 6.762 1.228 -9.383 1.00 0.00 C ATOM 395 C ASP A 27 7.431 -0.126 -9.163 1.00 0.00 C ATOM 396 O ASP A 27 7.053 -1.122 -9.781 1.00 0.00 O ATOM 397 CB ASP A 27 7.808 2.266 -9.796 1.00 0.00 C ATOM 398 CG ASP A 27 7.281 3.236 -10.835 1.00 0.00 C ATOM 399 OD1 ASP A 27 6.909 2.781 -11.938 1.00 0.00 O ATOM 400 OD2 ASP A 27 7.239 4.451 -10.546 1.00 0.00 O ATOM 0 H ASP A 27 6.582 2.322 -7.601 1.00 0.00 H new ATOM 0 HA ASP A 27 6.028 1.123 -10.182 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.132 2.821 -8.916 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.686 1.755 -10.192 1.00 0.00 H new ATOM 405 N MET A 28 8.423 -0.157 -8.278 1.00 0.00 N ATOM 406 CA MET A 28 9.143 -1.391 -7.976 1.00 0.00 C ATOM 407 C MET A 28 8.177 -2.506 -7.579 1.00 0.00 C ATOM 408 O MET A 28 8.473 -3.688 -7.753 1.00 0.00 O ATOM 409 CB MET A 28 10.159 -1.152 -6.857 1.00 0.00 C ATOM 410 CG MET A 28 11.604 -1.194 -7.327 1.00 0.00 C ATOM 411 SD MET A 28 12.642 0.021 -6.493 1.00 0.00 S ATOM 412 CE MET A 28 12.122 1.528 -7.310 1.00 0.00 C ATOM 0 H MET A 28 8.747 0.658 -7.757 1.00 0.00 H new ATOM 0 HA MET A 28 9.673 -1.703 -8.876 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.962 -0.182 -6.400 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.016 -1.904 -6.081 1.00 0.00 H new ATOM 0 HG2 MET A 28 12.009 -2.191 -7.155 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.637 -1.018 -8.402 1.00 0.00 H new ATOM 0 HE1 MET A 28 12.962 2.220 -7.366 1.00 0.00 H new ATOM 0 HE2 MET A 28 11.776 1.295 -8.317 1.00 0.00 H new ATOM 0 HE3 MET A 28 11.311 1.987 -6.745 1.00 0.00 H new ATOM 422 N PHE A 29 7.021 -2.119 -7.047 1.00 0.00 N ATOM 423 CA PHE A 29 6.008 -3.082 -6.628 1.00 0.00 C ATOM 424 C PHE A 29 5.622 -4.003 -7.782 1.00 0.00 C ATOM 425 O PHE A 29 5.948 -5.189 -7.780 1.00 0.00 O ATOM 426 CB PHE A 29 4.767 -2.350 -6.116 1.00 0.00 C ATOM 427 CG PHE A 29 4.726 -2.203 -4.623 1.00 0.00 C ATOM 428 CD1 PHE A 29 4.936 -3.296 -3.800 1.00 0.00 C ATOM 429 CD2 PHE A 29 4.473 -0.970 -4.043 1.00 0.00 C ATOM 430 CE1 PHE A 29 4.895 -3.161 -2.425 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.431 -0.831 -2.669 1.00 0.00 C ATOM 432 CZ PHE A 29 4.642 -1.928 -1.860 1.00 0.00 C ATOM 0 H PHE A 29 6.763 -1.144 -6.896 1.00 0.00 H new ATOM 0 HA PHE A 29 6.428 -3.688 -5.825 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.726 -1.360 -6.571 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.878 -2.888 -6.444 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.134 -4.264 -4.237 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.307 -0.108 -4.672 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.061 -4.021 -1.793 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.233 0.135 -2.229 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.609 -1.822 -0.786 1.00 0.00 H new ATOM 442 N ASP A 30 4.923 -3.443 -8.764 1.00 0.00 N ATOM 443 CA ASP A 30 4.486 -4.204 -9.927 1.00 0.00 C ATOM 444 C ASP A 30 5.671 -4.844 -10.640 1.00 0.00 C ATOM 445 O ASP A 30 6.577 -4.152 -11.108 1.00 0.00 O ATOM 446 CB ASP A 30 3.722 -3.303 -10.896 1.00 0.00 C ATOM 447 CG ASP A 30 2.315 -3.003 -10.420 1.00 0.00 C ATOM 448 OD1 ASP A 30 1.497 -3.946 -10.352 1.00 0.00 O ATOM 449 OD2 ASP A 30 2.030 -1.826 -10.113 1.00 0.00 O ATOM 0 H ASP A 30 4.647 -2.461 -8.776 1.00 0.00 H new ATOM 0 HA ASP A 30 3.824 -4.997 -9.579 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.266 -2.367 -11.024 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.677 -3.782 -11.874 1.00 0.00 H new ATOM 454 N ALA A 31 5.655 -6.167 -10.717 1.00 0.00 N ATOM 455 CA ALA A 31 6.724 -6.909 -11.376 1.00 0.00 C ATOM 456 C ALA A 31 6.439 -7.070 -12.863 1.00 0.00 C ATOM 457 O ALA A 31 7.282 -6.757 -13.705 1.00 0.00 O ATOM 458 CB ALA A 31 6.900 -8.269 -10.720 1.00 0.00 C ATOM 0 H ALA A 31 4.913 -6.751 -10.331 1.00 0.00 H new ATOM 0 HA ALA A 31 7.649 -6.343 -11.269 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.701 -8.814 -11.221 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.154 -8.136 -9.668 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.972 -8.834 -10.800 1.00 0.00 H new ATOM 464 N ASP A 32 5.244 -7.558 -13.180 1.00 0.00 N ATOM 465 CA ASP A 32 4.844 -7.760 -14.567 1.00 0.00 C ATOM 466 C ASP A 32 4.368 -6.451 -15.191 1.00 0.00 C ATOM 467 O ASP A 32 4.438 -6.270 -16.406 1.00 0.00 O ATOM 468 CB ASP A 32 3.737 -8.812 -14.653 1.00 0.00 C ATOM 469 CG ASP A 32 2.526 -8.447 -13.816 1.00 0.00 C ATOM 470 OD1 ASP A 32 2.713 -7.889 -12.713 1.00 0.00 O ATOM 471 OD2 ASP A 32 1.392 -8.717 -14.263 1.00 0.00 O ATOM 0 H ASP A 32 4.536 -7.821 -12.494 1.00 0.00 H new ATOM 0 HA ASP A 32 5.713 -8.112 -15.123 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.434 -8.932 -15.693 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.127 -9.774 -14.322 1.00 0.00 H new ATOM 497 N ASP A 36 -1.391 -5.724 -10.356 1.00 0.00 N ATOM 498 CA ASP A 36 -1.536 -5.198 -9.002 1.00 0.00 C ATOM 499 C ASP A 36 -0.486 -5.793 -8.069 1.00 0.00 C ATOM 500 O ASP A 36 0.404 -6.525 -8.503 1.00 0.00 O ATOM 501 CB ASP A 36 -2.936 -5.494 -8.465 1.00 0.00 C ATOM 502 CG ASP A 36 -3.998 -4.625 -9.110 1.00 0.00 C ATOM 503 OD1 ASP A 36 -3.639 -3.565 -9.665 1.00 0.00 O ATOM 504 OD2 ASP A 36 -5.187 -5.002 -9.059 1.00 0.00 O ATOM 0 HA ASP A 36 -1.389 -4.119 -9.043 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.174 -6.543 -8.639 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.949 -5.338 -7.386 1.00 0.00 H new ATOM 509 N ILE A 37 -0.597 -5.472 -6.786 1.00 0.00 N ATOM 510 CA ILE A 37 0.339 -5.970 -5.787 1.00 0.00 C ATOM 511 C ILE A 37 -0.263 -7.132 -5.001 1.00 0.00 C ATOM 512 O ILE A 37 -1.380 -7.041 -4.493 1.00 0.00 O ATOM 513 CB ILE A 37 0.752 -4.847 -4.813 1.00 0.00 C ATOM 514 CG1 ILE A 37 1.430 -3.710 -5.577 1.00 0.00 C ATOM 515 CG2 ILE A 37 1.667 -5.380 -3.719 1.00 0.00 C ATOM 516 CD1 ILE A 37 1.772 -2.520 -4.709 1.00 0.00 C ATOM 0 H ILE A 37 -1.328 -4.867 -6.412 1.00 0.00 H new ATOM 0 HA ILE A 37 1.223 -6.325 -6.316 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.148 -4.460 -4.335 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.342 -4.087 -6.039 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.775 -3.384 -6.385 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.942 -4.567 -3.047 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.148 -6.156 -3.156 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.567 -5.799 -4.169 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.250 -1.752 -5.317 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.860 -2.118 -4.267 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.452 -2.831 -3.916 1.00 0.00 H new ATOM 528 N SER A 38 0.493 -8.220 -4.904 1.00 0.00 N ATOM 529 CA SER A 38 0.049 -9.403 -4.177 1.00 0.00 C ATOM 530 C SER A 38 0.883 -9.605 -2.915 1.00 0.00 C ATOM 531 O SER A 38 1.579 -8.692 -2.470 1.00 0.00 O ATOM 532 CB SER A 38 0.141 -10.641 -5.073 1.00 0.00 C ATOM 533 OG SER A 38 -0.784 -11.634 -4.668 1.00 0.00 O ATOM 0 H SER A 38 1.420 -8.307 -5.321 1.00 0.00 H new ATOM 0 HA SER A 38 -0.990 -9.255 -3.884 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.053 -10.360 -6.108 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.153 -11.046 -5.037 1.00 0.00 H new ATOM 0 HG SER A 38 -1.602 -11.205 -4.340 1.00 0.00 H new ATOM 539 N THR A 39 0.808 -10.801 -2.342 1.00 0.00 N ATOM 540 CA THR A 39 1.557 -11.116 -1.130 1.00 0.00 C ATOM 541 C THR A 39 3.054 -11.212 -1.415 1.00 0.00 C ATOM 542 O THR A 39 3.877 -11.039 -0.516 1.00 0.00 O ATOM 543 CB THR A 39 1.058 -12.430 -0.526 1.00 0.00 C ATOM 544 OG1 THR A 39 1.163 -13.485 -1.466 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.382 -12.368 -0.065 1.00 0.00 C ATOM 0 H THR A 39 0.237 -11.568 -2.696 1.00 0.00 H new ATOM 0 HA THR A 39 1.396 -10.307 -0.417 1.00 0.00 H new ATOM 0 HB THR A 39 1.693 -12.609 0.342 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.698 -14.276 -1.123 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.672 -13.332 0.353 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.487 -11.596 0.697 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.025 -12.131 -0.912 1.00 0.00 H new ATOM 553 N LYS A 40 3.402 -11.494 -2.666 1.00 0.00 N ATOM 554 CA LYS A 40 4.801 -11.619 -3.060 1.00 0.00 C ATOM 555 C LYS A 40 5.393 -10.262 -3.433 1.00 0.00 C ATOM 556 O LYS A 40 6.555 -9.981 -3.141 1.00 0.00 O ATOM 557 CB LYS A 40 4.934 -12.586 -4.238 1.00 0.00 C ATOM 558 CG LYS A 40 6.256 -13.337 -4.262 1.00 0.00 C ATOM 559 CD LYS A 40 7.211 -12.755 -5.293 1.00 0.00 C ATOM 560 CE LYS A 40 7.944 -13.848 -6.054 1.00 0.00 C ATOM 561 NZ LYS A 40 7.040 -14.576 -6.988 1.00 0.00 N ATOM 0 H LYS A 40 2.735 -11.640 -3.424 1.00 0.00 H new ATOM 0 HA LYS A 40 5.356 -12.011 -2.208 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.117 -13.306 -4.200 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.825 -12.029 -5.169 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.716 -13.296 -3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.074 -14.388 -4.486 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.655 -12.132 -5.994 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.934 -12.108 -4.796 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.769 -13.409 -6.615 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.380 -14.554 -5.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.609 -15.114 -7.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.437 -15.230 -6.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.442 -13.893 -7.496 1.00 0.00 H new ATOM 575 N GLU A 41 4.589 -9.426 -4.083 1.00 0.00 N ATOM 576 CA GLU A 41 5.039 -8.102 -4.498 1.00 0.00 C ATOM 577 C GLU A 41 5.363 -7.219 -3.295 1.00 0.00 C ATOM 578 O GLU A 41 6.052 -6.208 -3.428 1.00 0.00 O ATOM 579 CB GLU A 41 3.973 -7.426 -5.364 1.00 0.00 C ATOM 580 CG GLU A 41 3.712 -8.145 -6.678 1.00 0.00 C ATOM 581 CD GLU A 41 3.504 -7.188 -7.834 1.00 0.00 C ATOM 582 OE1 GLU A 41 3.044 -6.052 -7.590 1.00 0.00 O ATOM 583 OE2 GLU A 41 3.801 -7.574 -8.984 1.00 0.00 O ATOM 0 H GLU A 41 3.624 -9.642 -4.333 1.00 0.00 H new ATOM 0 HA GLU A 41 5.951 -8.231 -5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.042 -7.367 -4.800 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.283 -6.402 -5.575 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.552 -8.802 -6.902 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.831 -8.779 -6.573 1.00 0.00 H new ATOM 590 N LEU A 42 4.862 -7.599 -2.123 1.00 0.00 N ATOM 591 CA LEU A 42 5.105 -6.827 -0.910 1.00 0.00 C ATOM 592 C LEU A 42 6.472 -7.149 -0.314 1.00 0.00 C ATOM 593 O LEU A 42 7.303 -6.260 -0.135 1.00 0.00 O ATOM 594 CB LEU A 42 4.005 -7.091 0.121 1.00 0.00 C ATOM 595 CG LEU A 42 3.243 -5.845 0.574 1.00 0.00 C ATOM 596 CD1 LEU A 42 4.176 -4.879 1.288 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.583 -5.167 -0.616 1.00 0.00 C ATOM 0 H LEU A 42 4.289 -8.432 -1.988 1.00 0.00 H new ATOM 0 HA LEU A 42 5.093 -5.771 -1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.294 -7.802 -0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.451 -7.566 0.995 1.00 0.00 H new ATOM 0 HG LEU A 42 2.465 -6.151 1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.616 -3.998 1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.606 -5.368 2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.975 -4.578 0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.044 -4.282 -0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.346 -4.874 -1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.885 -5.858 -1.087 1.00 0.00 H new ATOM 609 N GLY A 43 6.700 -8.423 -0.011 1.00 0.00 N ATOM 610 CA GLY A 43 7.971 -8.835 0.561 1.00 0.00 C ATOM 611 C GLY A 43 9.162 -8.283 -0.201 1.00 0.00 C ATOM 612 O GLY A 43 10.240 -8.104 0.364 1.00 0.00 O ATOM 0 H GLY A 43 6.028 -9.178 -0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.023 -8.503 1.598 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.024 -9.924 0.572 1.00 0.00 H new ATOM 616 N THR A 44 8.965 -8.016 -1.488 1.00 0.00 N ATOM 617 CA THR A 44 10.027 -7.483 -2.333 1.00 0.00 C ATOM 618 C THR A 44 10.552 -6.154 -1.788 1.00 0.00 C ATOM 619 O THR A 44 11.606 -6.101 -1.154 1.00 0.00 O ATOM 620 CB THR A 44 9.510 -7.307 -3.769 1.00 0.00 C ATOM 621 OG1 THR A 44 9.573 -8.532 -4.476 1.00 0.00 O ATOM 622 CG2 THR A 44 10.274 -6.275 -4.577 1.00 0.00 C ATOM 0 H THR A 44 8.077 -8.161 -1.969 1.00 0.00 H new ATOM 0 HA THR A 44 10.855 -8.192 -2.334 1.00 0.00 H new ATOM 0 HB THR A 44 8.483 -6.959 -3.656 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.238 -8.401 -5.388 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.849 -6.209 -5.578 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.202 -5.304 -4.088 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.321 -6.569 -4.646 1.00 0.00 H new ATOM 630 N VAL A 45 9.814 -5.085 -2.058 1.00 0.00 N ATOM 631 CA VAL A 45 10.193 -3.748 -1.620 1.00 0.00 C ATOM 632 C VAL A 45 10.301 -3.654 -0.100 1.00 0.00 C ATOM 633 O VAL A 45 11.111 -2.891 0.425 1.00 0.00 O ATOM 634 CB VAL A 45 9.176 -2.705 -2.123 1.00 0.00 C ATOM 635 CG1 VAL A 45 7.771 -3.082 -1.678 1.00 0.00 C ATOM 636 CG2 VAL A 45 9.543 -1.307 -1.643 1.00 0.00 C ATOM 0 H VAL A 45 8.941 -5.119 -2.584 1.00 0.00 H new ATOM 0 HA VAL A 45 11.175 -3.541 -2.046 1.00 0.00 H new ATOM 0 HB VAL A 45 9.203 -2.697 -3.213 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.062 -2.337 -2.040 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.510 -4.059 -2.085 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.732 -3.121 -0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.809 -0.591 -2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.553 -1.287 -0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.531 -1.041 -2.019 1.00 0.00 H new ATOM 646 N MET A 46 9.474 -4.416 0.604 1.00 0.00 N ATOM 647 CA MET A 46 9.479 -4.395 2.062 1.00 0.00 C ATOM 648 C MET A 46 10.762 -4.999 2.630 1.00 0.00 C ATOM 649 O MET A 46 11.229 -4.587 3.691 1.00 0.00 O ATOM 650 CB MET A 46 8.259 -5.142 2.610 1.00 0.00 C ATOM 651 CG MET A 46 7.021 -4.270 2.747 1.00 0.00 C ATOM 652 SD MET A 46 7.292 -2.835 3.807 1.00 0.00 S ATOM 653 CE MET A 46 5.655 -2.606 4.496 1.00 0.00 C ATOM 0 H MET A 46 8.793 -5.054 0.192 1.00 0.00 H new ATOM 0 HA MET A 46 9.432 -3.352 2.376 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.031 -5.981 1.952 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.508 -5.561 3.585 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.708 -3.932 1.759 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.204 -4.867 3.153 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.495 -1.549 4.711 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.908 -2.947 3.780 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.564 -3.182 5.417 1.00 0.00 H new ATOM 663 N ARG A 47 11.323 -5.977 1.928 1.00 0.00 N ATOM 664 CA ARG A 47 12.547 -6.634 2.381 1.00 0.00 C ATOM 665 C ARG A 47 13.790 -5.841 1.983 1.00 0.00 C ATOM 666 O ARG A 47 14.818 -5.905 2.658 1.00 0.00 O ATOM 667 CB ARG A 47 12.634 -8.050 1.810 1.00 0.00 C ATOM 668 CG ARG A 47 11.699 -9.037 2.489 1.00 0.00 C ATOM 669 CD ARG A 47 11.690 -10.380 1.776 1.00 0.00 C ATOM 670 NE ARG A 47 12.911 -11.142 2.027 1.00 0.00 N ATOM 671 CZ ARG A 47 14.017 -11.044 1.290 1.00 0.00 C ATOM 672 NH1 ARG A 47 14.065 -10.214 0.256 1.00 0.00 N ATOM 673 NH2 ARG A 47 15.079 -11.778 1.591 1.00 0.00 N ATOM 0 H ARG A 47 10.953 -6.332 1.046 1.00 0.00 H new ATOM 0 HA ARG A 47 12.509 -6.684 3.469 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.404 -8.018 0.745 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.659 -8.409 1.905 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.007 -9.177 3.525 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.689 -8.628 2.509 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.827 -10.959 2.105 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.576 -10.220 0.704 1.00 0.00 H new ATOM 0 HE ARG A 47 12.917 -11.789 2.815 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.252 -9.645 0.020 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.915 -10.145 -0.303 1.00 0.00 H new ATOM 0 HH21 ARG A 47 15.049 -12.417 2.386 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.926 -11.704 1.028 1.00 0.00 H new ATOM 687 N MET A 48 13.695 -5.100 0.883 1.00 0.00 N ATOM 688 CA MET A 48 14.822 -4.306 0.402 1.00 0.00 C ATOM 689 C MET A 48 14.757 -2.869 0.917 1.00 0.00 C ATOM 690 O MET A 48 15.513 -2.008 0.464 1.00 0.00 O ATOM 691 CB MET A 48 14.857 -4.309 -1.127 1.00 0.00 C ATOM 692 CG MET A 48 13.612 -3.713 -1.764 1.00 0.00 C ATOM 693 SD MET A 48 13.994 -2.521 -3.063 1.00 0.00 S ATOM 694 CE MET A 48 12.575 -1.436 -2.952 1.00 0.00 C ATOM 0 H MET A 48 12.854 -5.032 0.310 1.00 0.00 H new ATOM 0 HA MET A 48 15.735 -4.761 0.786 1.00 0.00 H new ATOM 0 HB2 MET A 48 15.730 -3.750 -1.463 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.980 -5.334 -1.478 1.00 0.00 H new ATOM 0 HG2 MET A 48 13.003 -4.515 -2.181 1.00 0.00 H new ATOM 0 HG3 MET A 48 13.013 -3.226 -0.994 1.00 0.00 H new ATOM 0 HE1 MET A 48 12.664 -0.643 -3.695 1.00 0.00 H new ATOM 0 HE2 MET A 48 11.665 -2.007 -3.138 1.00 0.00 H new ATOM 0 HE3 MET A 48 12.530 -0.996 -1.956 1.00 0.00 H new ATOM 704 N LEU A 49 13.855 -2.610 1.859 1.00 0.00 N ATOM 705 CA LEU A 49 13.703 -1.272 2.419 1.00 0.00 C ATOM 706 C LEU A 49 13.987 -1.268 3.918 1.00 0.00 C ATOM 707 O LEU A 49 14.626 -0.352 4.436 1.00 0.00 O ATOM 708 CB LEU A 49 12.294 -0.744 2.154 1.00 0.00 C ATOM 709 CG LEU A 49 12.062 -0.203 0.743 1.00 0.00 C ATOM 710 CD1 LEU A 49 10.645 0.329 0.604 1.00 0.00 C ATOM 711 CD2 LEU A 49 13.079 0.880 0.417 1.00 0.00 C ATOM 0 H LEU A 49 13.220 -3.307 2.249 1.00 0.00 H new ATOM 0 HA LEU A 49 14.427 -0.619 1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.580 -1.546 2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.078 0.048 2.871 1.00 0.00 H new ATOM 0 HG LEU A 49 12.191 -1.019 0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.497 0.710 -0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.934 -0.475 0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.486 1.133 1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.901 1.255 -0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.981 1.698 1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 49 14.085 0.464 0.477 1.00 0.00 H new ATOM 723 N GLY A 50 13.508 -2.297 4.610 1.00 0.00 N ATOM 724 CA GLY A 50 13.722 -2.387 6.043 1.00 0.00 C ATOM 725 C GLY A 50 12.743 -3.327 6.718 1.00 0.00 C ATOM 726 O GLY A 50 13.101 -4.031 7.662 1.00 0.00 O ATOM 0 H GLY A 50 12.977 -3.068 4.205 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.739 -2.728 6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.631 -1.394 6.484 1.00 0.00 H new ATOM 730 N GLN A 51 11.506 -3.339 6.234 1.00 0.00 N ATOM 731 CA GLN A 51 10.475 -4.202 6.799 1.00 0.00 C ATOM 732 C GLN A 51 10.789 -5.668 6.519 1.00 0.00 C ATOM 733 O GLN A 51 11.612 -5.982 5.660 1.00 0.00 O ATOM 734 CB GLN A 51 9.105 -3.838 6.221 1.00 0.00 C ATOM 735 CG GLN A 51 7.998 -3.796 7.263 1.00 0.00 C ATOM 736 CD GLN A 51 8.048 -2.542 8.115 1.00 0.00 C ATOM 737 OE1 GLN A 51 7.810 -1.437 7.627 1.00 0.00 O ATOM 738 NE2 GLN A 51 8.359 -2.708 9.395 1.00 0.00 N ATOM 0 H GLN A 51 11.193 -2.762 5.453 1.00 0.00 H new ATOM 0 HA GLN A 51 10.455 -4.052 7.878 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.172 -2.865 5.734 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.841 -4.562 5.451 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.031 -3.853 6.763 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.076 -4.672 7.907 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.549 -3.643 9.757 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.408 -1.901 10.017 1.00 0.00 H new ATOM 747 N ASN A 52 10.134 -6.562 7.250 1.00 0.00 N ATOM 748 CA ASN A 52 10.356 -7.991 7.070 1.00 0.00 C ATOM 749 C ASN A 52 9.066 -8.789 7.259 1.00 0.00 C ATOM 750 O ASN A 52 9.055 -9.807 7.948 1.00 0.00 O ATOM 751 CB ASN A 52 11.419 -8.484 8.052 1.00 0.00 C ATOM 752 CG ASN A 52 12.355 -9.500 7.428 1.00 0.00 C ATOM 753 OD1 ASN A 52 12.668 -9.427 6.239 1.00 0.00 O ATOM 754 ND2 ASN A 52 12.808 -10.458 8.229 1.00 0.00 N ATOM 0 H ASN A 52 9.450 -6.325 7.968 1.00 0.00 H new ATOM 0 HA ASN A 52 10.702 -8.147 6.048 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.998 -7.634 8.413 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.931 -8.928 8.919 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.441 -11.170 7.865 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.523 -10.481 9.208 1.00 0.00 H new ATOM 761 N PRO A 53 7.955 -8.346 6.641 1.00 0.00 N ATOM 762 CA PRO A 53 6.672 -9.041 6.749 1.00 0.00 C ATOM 763 C PRO A 53 6.616 -10.278 5.858 1.00 0.00 C ATOM 764 O PRO A 53 6.529 -10.169 4.635 1.00 0.00 O ATOM 765 CB PRO A 53 5.674 -7.991 6.271 1.00 0.00 C ATOM 766 CG PRO A 53 6.439 -7.178 5.286 1.00 0.00 C ATOM 767 CD PRO A 53 7.859 -7.144 5.786 1.00 0.00 C ATOM 0 HA PRO A 53 6.479 -9.407 7.757 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.800 -8.453 5.812 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.314 -7.379 7.098 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.387 -7.620 4.291 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.029 -6.171 5.209 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.574 -7.178 4.964 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.064 -6.234 6.349 1.00 0.00 H new ATOM 775 N THR A 54 6.671 -11.453 6.478 1.00 0.00 N ATOM 776 CA THR A 54 6.628 -12.707 5.736 1.00 0.00 C ATOM 777 C THR A 54 5.328 -12.828 4.948 1.00 0.00 C ATOM 778 O THR A 54 4.472 -11.945 5.007 1.00 0.00 O ATOM 779 CB THR A 54 6.774 -13.895 6.689 1.00 0.00 C ATOM 780 OG1 THR A 54 6.757 -15.117 5.973 1.00 0.00 O ATOM 781 CG2 THR A 54 5.684 -13.961 7.737 1.00 0.00 C ATOM 0 H THR A 54 6.745 -11.562 7.489 1.00 0.00 H new ATOM 0 HA THR A 54 7.460 -12.712 5.032 1.00 0.00 H new ATOM 0 HB THR A 54 7.729 -13.745 7.192 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.853 -15.865 6.599 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.848 -14.827 8.379 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.704 -13.053 8.340 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.714 -14.051 7.248 1.00 0.00 H new ATOM 789 N LYS A 55 5.187 -13.925 4.212 1.00 0.00 N ATOM 790 CA LYS A 55 3.990 -14.159 3.412 1.00 0.00 C ATOM 791 C LYS A 55 2.737 -14.113 4.282 1.00 0.00 C ATOM 792 O LYS A 55 1.672 -13.695 3.829 1.00 0.00 O ATOM 793 CB LYS A 55 4.084 -15.509 2.699 1.00 0.00 C ATOM 794 CG LYS A 55 4.508 -15.397 1.242 1.00 0.00 C ATOM 795 CD LYS A 55 3.767 -16.395 0.366 1.00 0.00 C ATOM 796 CE LYS A 55 3.344 -15.770 -0.954 1.00 0.00 C ATOM 797 NZ LYS A 55 2.509 -16.699 -1.765 1.00 0.00 N ATOM 0 H LYS A 55 5.886 -14.666 4.153 1.00 0.00 H new ATOM 0 HA LYS A 55 3.920 -13.368 2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.796 -16.142 3.229 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.115 -16.006 2.750 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.317 -14.385 0.884 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.582 -15.567 1.161 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.406 -17.257 0.174 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.887 -16.762 0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.785 -14.855 -0.760 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.230 -15.488 -1.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.241 -16.236 -2.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.051 -17.562 -1.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.651 -16.949 -1.233 1.00 0.00 H new ATOM 811 N CYS A 56 2.873 -14.543 5.532 1.00 0.00 N ATOM 812 CA CYS A 56 1.753 -14.549 6.466 1.00 0.00 C ATOM 813 C CYS A 56 1.425 -13.134 6.933 1.00 0.00 C ATOM 814 O CYS A 56 0.260 -12.744 6.993 1.00 0.00 O ATOM 815 CB CYS A 56 2.071 -15.436 7.671 1.00 0.00 C ATOM 816 SG CYS A 56 0.617 -16.191 8.435 1.00 0.00 S ATOM 0 H CYS A 56 3.748 -14.892 5.922 1.00 0.00 H new ATOM 0 HA CYS A 56 0.883 -14.951 5.947 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.755 -16.225 7.358 1.00 0.00 H new ATOM 0 HB3 CYS A 56 2.594 -14.840 8.419 1.00 0.00 H new ATOM 0 HG CYS A 56 0.988 -16.924 9.443 1.00 0.00 H new ATOM 822 N GLU A 57 2.462 -12.369 7.261 1.00 0.00 N ATOM 823 CA GLU A 57 2.286 -10.995 7.722 1.00 0.00 C ATOM 824 C GLU A 57 1.520 -10.172 6.694 1.00 0.00 C ATOM 825 O GLU A 57 0.597 -9.431 7.036 1.00 0.00 O ATOM 826 CB GLU A 57 3.645 -10.347 7.990 1.00 0.00 C ATOM 827 CG GLU A 57 4.420 -11.006 9.120 1.00 0.00 C ATOM 828 CD GLU A 57 4.184 -10.332 10.458 1.00 0.00 C ATOM 829 OE1 GLU A 57 3.992 -9.098 10.476 1.00 0.00 O ATOM 830 OE2 GLU A 57 4.190 -11.040 11.487 1.00 0.00 O ATOM 0 H GLU A 57 3.433 -12.677 7.216 1.00 0.00 H new ATOM 0 HA GLU A 57 1.711 -11.021 8.648 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.243 -10.386 7.079 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.496 -9.294 8.229 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.132 -12.055 9.190 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.485 -10.982 8.888 1.00 0.00 H new ATOM 837 N LEU A 58 1.914 -10.305 5.434 1.00 0.00 N ATOM 838 CA LEU A 58 1.272 -9.574 4.349 1.00 0.00 C ATOM 839 C LEU A 58 -0.049 -10.231 3.950 1.00 0.00 C ATOM 840 O LEU A 58 -0.925 -9.584 3.380 1.00 0.00 O ATOM 841 CB LEU A 58 2.211 -9.493 3.143 1.00 0.00 C ATOM 842 CG LEU A 58 3.674 -9.189 3.482 1.00 0.00 C ATOM 843 CD1 LEU A 58 4.605 -9.882 2.499 1.00 0.00 C ATOM 844 CD2 LEU A 58 3.922 -7.687 3.483 1.00 0.00 C ATOM 0 H LEU A 58 2.677 -10.914 5.138 1.00 0.00 H new ATOM 0 HA LEU A 58 1.054 -8.565 4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.168 -10.439 2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.843 -8.722 2.466 1.00 0.00 H new ATOM 0 HG LEU A 58 3.881 -9.572 4.481 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.640 -9.655 2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.448 -10.960 2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.396 -9.529 1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.966 -7.491 3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.696 -7.280 2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.281 -7.213 4.227 1.00 0.00 H new ATOM 856 N ASP A 59 -0.185 -11.519 4.257 1.00 0.00 N ATOM 857 CA ASP A 59 -1.401 -12.258 3.933 1.00 0.00 C ATOM 858 C ASP A 59 -2.554 -11.831 4.830 1.00 0.00 C ATOM 859 O ASP A 59 -3.720 -11.913 4.441 1.00 0.00 O ATOM 860 CB ASP A 59 -1.165 -13.763 4.069 1.00 0.00 C ATOM 861 CG ASP A 59 -0.846 -14.420 2.741 1.00 0.00 C ATOM 862 OD1 ASP A 59 -1.535 -14.112 1.746 1.00 0.00 O ATOM 863 OD2 ASP A 59 0.093 -15.244 2.695 1.00 0.00 O ATOM 0 H ASP A 59 0.531 -12.071 4.729 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.665 -12.032 2.900 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.344 -13.938 4.764 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.051 -14.230 4.499 1.00 0.00 H new ATOM 868 N ALA A 60 -2.227 -11.375 6.033 1.00 0.00 N ATOM 869 CA ALA A 60 -3.245 -10.938 6.975 1.00 0.00 C ATOM 870 C ALA A 60 -3.773 -9.558 6.605 1.00 0.00 C ATOM 871 O ALA A 60 -4.939 -9.244 6.842 1.00 0.00 O ATOM 872 CB ALA A 60 -2.694 -10.938 8.392 1.00 0.00 C ATOM 0 H ALA A 60 -1.270 -11.299 6.376 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.076 -11.641 6.927 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.469 -10.608 9.084 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.375 -11.946 8.658 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.843 -10.260 8.451 1.00 0.00 H new ATOM 878 N ILE A 61 -2.908 -8.737 6.016 1.00 0.00 N ATOM 879 CA ILE A 61 -3.290 -7.395 5.608 1.00 0.00 C ATOM 880 C ILE A 61 -4.042 -7.436 4.278 1.00 0.00 C ATOM 881 O ILE A 61 -5.195 -7.014 4.198 1.00 0.00 O ATOM 882 CB ILE A 61 -2.053 -6.476 5.488 1.00 0.00 C ATOM 883 CG1 ILE A 61 -1.589 -6.034 6.878 1.00 0.00 C ATOM 884 CG2 ILE A 61 -2.354 -5.263 4.619 1.00 0.00 C ATOM 885 CD1 ILE A 61 -0.474 -6.886 7.442 1.00 0.00 C ATOM 0 H ILE A 61 -1.939 -8.981 5.812 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.947 -6.986 6.376 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.253 -7.041 5.010 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.254 -4.998 6.828 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.438 -6.062 7.561 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.466 -4.634 4.552 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.641 -5.593 3.621 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.170 -4.692 5.061 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.196 -6.515 8.429 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.812 -7.919 7.525 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.391 -6.839 6.780 1.00 0.00 H new ATOM 897 N ILE A 62 -3.382 -7.953 3.240 1.00 0.00 N ATOM 898 CA ILE A 62 -3.989 -8.054 1.914 1.00 0.00 C ATOM 899 C ILE A 62 -5.419 -8.585 2.001 1.00 0.00 C ATOM 900 O ILE A 62 -6.337 -8.022 1.405 1.00 0.00 O ATOM 901 CB ILE A 62 -3.163 -8.967 0.985 1.00 0.00 C ATOM 902 CG1 ILE A 62 -1.799 -8.333 0.708 1.00 0.00 C ATOM 903 CG2 ILE A 62 -3.909 -9.229 -0.320 1.00 0.00 C ATOM 904 CD1 ILE A 62 -0.941 -9.135 -0.245 1.00 0.00 C ATOM 0 H ILE A 62 -2.427 -8.308 3.293 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.006 -7.048 1.496 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.011 -9.925 1.483 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.948 -7.335 0.297 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.265 -8.213 1.651 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.308 -9.875 -0.960 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.860 -9.716 -0.104 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.093 -8.283 -0.830 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.011 -8.625 -0.395 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.760 -10.125 0.173 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.454 -9.233 -1.202 1.00 0.00 H new ATOM 916 N CYS A 63 -5.600 -9.666 2.754 1.00 0.00 N ATOM 917 CA CYS A 63 -6.918 -10.264 2.924 1.00 0.00 C ATOM 918 C CYS A 63 -7.925 -9.210 3.371 1.00 0.00 C ATOM 919 O CYS A 63 -9.096 -9.251 2.993 1.00 0.00 O ATOM 920 CB CYS A 63 -6.857 -11.402 3.945 1.00 0.00 C ATOM 921 SG CYS A 63 -8.152 -12.647 3.741 1.00 0.00 S ATOM 0 H CYS A 63 -4.851 -10.144 3.255 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.240 -10.671 1.965 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.885 -11.889 3.872 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.928 -10.980 4.948 1.00 0.00 H new ATOM 0 HG CYS A 63 -8.015 -13.568 4.648 1.00 0.00 H new ATOM 927 N GLU A 64 -7.451 -8.255 4.165 1.00 0.00 N ATOM 928 CA GLU A 64 -8.296 -7.174 4.650 1.00 0.00 C ATOM 929 C GLU A 64 -8.379 -6.069 3.604 1.00 0.00 C ATOM 930 O GLU A 64 -9.407 -5.404 3.465 1.00 0.00 O ATOM 931 CB GLU A 64 -7.747 -6.615 5.963 1.00 0.00 C ATOM 932 CG GLU A 64 -7.472 -7.681 7.011 1.00 0.00 C ATOM 933 CD GLU A 64 -8.632 -7.869 7.969 1.00 0.00 C ATOM 934 OE1 GLU A 64 -9.776 -8.020 7.494 1.00 0.00 O ATOM 935 OE2 GLU A 64 -8.395 -7.866 9.196 1.00 0.00 O ATOM 0 H GLU A 64 -6.484 -8.210 4.486 1.00 0.00 H new ATOM 0 HA GLU A 64 -9.296 -7.567 4.832 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.824 -6.071 5.759 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.459 -5.895 6.367 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.259 -8.627 6.514 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.580 -7.409 7.575 1.00 0.00 H new ATOM 942 N VAL A 65 -7.291 -5.891 2.862 1.00 0.00 N ATOM 943 CA VAL A 65 -7.232 -4.879 1.814 1.00 0.00 C ATOM 944 C VAL A 65 -8.230 -5.197 0.708 1.00 0.00 C ATOM 945 O VAL A 65 -9.020 -4.346 0.299 1.00 0.00 O ATOM 946 CB VAL A 65 -5.823 -4.788 1.194 1.00 0.00 C ATOM 947 CG1 VAL A 65 -5.753 -3.646 0.193 1.00 0.00 C ATOM 948 CG2 VAL A 65 -4.764 -4.631 2.276 1.00 0.00 C ATOM 0 H VAL A 65 -6.436 -6.437 2.968 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.479 -3.924 2.277 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.622 -5.718 0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.751 -3.597 -0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.479 -3.814 -0.603 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.979 -2.706 0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.779 -4.569 1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.956 -3.721 2.844 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.798 -5.491 2.945 1.00 0.00 H new ATOM 958 N ASP A 66 -8.178 -6.434 0.226 1.00 0.00 N ATOM 959 CA ASP A 66 -9.066 -6.882 -0.838 1.00 0.00 C ATOM 960 C ASP A 66 -10.500 -7.016 -0.339 1.00 0.00 C ATOM 961 O ASP A 66 -10.845 -7.983 0.340 1.00 0.00 O ATOM 962 CB ASP A 66 -8.579 -8.219 -1.398 1.00 0.00 C ATOM 963 CG ASP A 66 -7.447 -8.046 -2.392 1.00 0.00 C ATOM 964 OD1 ASP A 66 -7.726 -7.666 -3.548 1.00 0.00 O ATOM 965 OD2 ASP A 66 -6.282 -8.291 -2.013 1.00 0.00 O ATOM 0 H ASP A 66 -7.527 -7.146 0.558 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.052 -6.133 -1.630 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.246 -8.855 -0.578 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.410 -8.732 -1.882 1.00 0.00 H new ATOM 970 N GLU A 67 -11.333 -6.041 -0.686 1.00 0.00 N ATOM 971 CA GLU A 67 -12.733 -6.050 -0.279 1.00 0.00 C ATOM 972 C GLU A 67 -13.511 -7.121 -1.037 1.00 0.00 C ATOM 973 O GLU A 67 -14.522 -7.628 -0.553 1.00 0.00 O ATOM 974 CB GLU A 67 -13.365 -4.678 -0.521 1.00 0.00 C ATOM 975 CG GLU A 67 -13.327 -4.240 -1.977 1.00 0.00 C ATOM 976 CD GLU A 67 -12.148 -3.338 -2.283 1.00 0.00 C ATOM 977 OE1 GLU A 67 -10.996 -3.793 -2.124 1.00 0.00 O ATOM 978 OE2 GLU A 67 -12.376 -2.176 -2.682 1.00 0.00 O ATOM 0 H GLU A 67 -11.063 -5.234 -1.248 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.775 -6.279 0.786 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.401 -4.700 -0.183 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.847 -3.936 0.087 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.281 -5.121 -2.617 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.252 -3.718 -2.220 1.00 0.00 H new ATOM 985 N ASP A 68 -13.032 -7.460 -2.230 1.00 0.00 N ATOM 986 CA ASP A 68 -13.681 -8.470 -3.058 1.00 0.00 C ATOM 987 C ASP A 68 -13.079 -9.851 -2.814 1.00 0.00 C ATOM 988 O ASP A 68 -13.743 -10.869 -3.008 1.00 0.00 O ATOM 989 CB ASP A 68 -13.555 -8.101 -4.537 1.00 0.00 C ATOM 990 CG ASP A 68 -12.112 -8.063 -5.006 1.00 0.00 C ATOM 991 OD1 ASP A 68 -11.360 -7.178 -4.545 1.00 0.00 O ATOM 992 OD2 ASP A 68 -11.735 -8.918 -5.833 1.00 0.00 O ATOM 0 H ASP A 68 -12.196 -7.049 -2.645 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.736 -8.503 -2.784 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.110 -8.823 -5.137 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.014 -7.127 -4.705 1.00 0.00 H new ATOM 997 N GLY A 69 -11.819 -9.879 -2.392 1.00 0.00 N ATOM 998 CA GLY A 69 -11.152 -11.143 -2.134 1.00 0.00 C ATOM 999 C GLY A 69 -10.399 -11.653 -3.348 1.00 0.00 C ATOM 1000 O GLY A 69 -10.645 -12.763 -3.820 1.00 0.00 O ATOM 0 H GLY A 69 -11.248 -9.051 -2.224 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.458 -11.022 -1.303 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.890 -11.885 -1.828 1.00 0.00 H new ATOM 1004 N SER A 70 -9.485 -10.833 -3.856 1.00 0.00 N ATOM 1005 CA SER A 70 -8.695 -11.196 -5.027 1.00 0.00 C ATOM 1006 C SER A 70 -7.220 -11.369 -4.674 1.00 0.00 C ATOM 1007 O SER A 70 -6.449 -11.930 -5.455 1.00 0.00 O ATOM 1008 CB SER A 70 -8.838 -10.122 -6.109 1.00 0.00 C ATOM 1009 OG SER A 70 -9.263 -8.889 -5.551 1.00 0.00 O ATOM 0 H SER A 70 -9.273 -9.911 -3.474 1.00 0.00 H new ATOM 0 HA SER A 70 -9.072 -12.148 -5.400 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.884 -9.985 -6.618 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.556 -10.451 -6.860 1.00 0.00 H new ATOM 0 HG SER A 70 -10.007 -8.530 -6.079 1.00 0.00 H new ATOM 1015 N GLY A 71 -6.825 -10.873 -3.506 1.00 0.00 N ATOM 1016 CA GLY A 71 -5.438 -10.974 -3.091 1.00 0.00 C ATOM 1017 C GLY A 71 -4.542 -10.003 -3.840 1.00 0.00 C ATOM 1018 O GLY A 71 -3.324 -10.011 -3.664 1.00 0.00 O ATOM 0 H GLY A 71 -7.439 -10.404 -2.841 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.366 -10.780 -2.021 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.085 -11.992 -3.255 1.00 0.00 H new ATOM 1022 N THR A 72 -5.147 -9.163 -4.679 1.00 0.00 N ATOM 1023 CA THR A 72 -4.397 -8.184 -5.455 1.00 0.00 C ATOM 1024 C THR A 72 -4.757 -6.765 -5.027 1.00 0.00 C ATOM 1025 O THR A 72 -5.924 -6.456 -4.784 1.00 0.00 O ATOM 1026 CB THR A 72 -4.679 -8.366 -6.946 1.00 0.00 C ATOM 1027 OG1 THR A 72 -6.073 -8.452 -7.186 1.00 0.00 O ATOM 1028 CG2 THR A 72 -4.036 -9.605 -7.529 1.00 0.00 C ATOM 0 H THR A 72 -6.155 -9.143 -4.837 1.00 0.00 H new ATOM 0 HA THR A 72 -3.334 -8.342 -5.270 1.00 0.00 H new ATOM 0 HB THR A 72 -4.248 -7.490 -7.431 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.233 -8.567 -8.146 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.276 -9.674 -8.590 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.955 -9.547 -7.404 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.414 -10.488 -7.013 1.00 0.00 H new ATOM 1036 N ILE A 73 -3.747 -5.906 -4.933 1.00 0.00 N ATOM 1037 CA ILE A 73 -3.958 -4.522 -4.529 1.00 0.00 C ATOM 1038 C ILE A 73 -4.009 -3.589 -5.736 1.00 0.00 C ATOM 1039 O ILE A 73 -2.997 -3.355 -6.395 1.00 0.00 O ATOM 1040 CB ILE A 73 -2.846 -4.045 -3.579 1.00 0.00 C ATOM 1041 CG1 ILE A 73 -2.643 -5.055 -2.447 1.00 0.00 C ATOM 1042 CG2 ILE A 73 -3.180 -2.670 -3.018 1.00 0.00 C ATOM 1043 CD1 ILE A 73 -1.377 -4.824 -1.650 1.00 0.00 C ATOM 0 H ILE A 73 -2.775 -6.144 -5.131 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.917 -4.489 -4.011 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.916 -3.968 -4.142 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.499 -5.011 -1.774 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.619 -6.060 -2.868 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.383 -2.347 -2.348 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.277 -1.957 -3.837 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.119 -2.720 -2.467 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.299 -5.576 -0.865 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.513 -4.897 -2.310 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.407 -3.832 -1.200 1.00 0.00 H new ATOM 1055 N ASP A 74 -5.194 -3.054 -6.013 1.00 0.00 N ATOM 1056 CA ASP A 74 -5.376 -2.141 -7.136 1.00 0.00 C ATOM 1057 C ASP A 74 -4.538 -0.879 -6.952 1.00 0.00 C ATOM 1058 O ASP A 74 -3.697 -0.807 -6.055 1.00 0.00 O ATOM 1059 CB ASP A 74 -6.855 -1.771 -7.283 1.00 0.00 C ATOM 1060 CG ASP A 74 -7.497 -2.427 -8.490 1.00 0.00 C ATOM 1061 OD1 ASP A 74 -7.302 -1.919 -9.614 1.00 0.00 O ATOM 1062 OD2 ASP A 74 -8.194 -3.447 -8.311 1.00 0.00 O ATOM 0 H ASP A 74 -6.042 -3.237 -5.476 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.043 -2.646 -8.043 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.392 -2.068 -6.382 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.949 -0.688 -7.368 1.00 0.00 H new ATOM 1067 N PHE A 75 -4.771 0.113 -7.806 1.00 0.00 N ATOM 1068 CA PHE A 75 -4.035 1.370 -7.736 1.00 0.00 C ATOM 1069 C PHE A 75 -4.249 2.051 -6.387 1.00 0.00 C ATOM 1070 O PHE A 75 -3.390 1.991 -5.508 1.00 0.00 O ATOM 1071 CB PHE A 75 -4.469 2.303 -8.869 1.00 0.00 C ATOM 1072 CG PHE A 75 -3.765 2.036 -10.169 1.00 0.00 C ATOM 1073 CD1 PHE A 75 -3.707 0.753 -10.690 1.00 0.00 C ATOM 1074 CD2 PHE A 75 -3.163 3.068 -10.870 1.00 0.00 C ATOM 1075 CE1 PHE A 75 -3.060 0.505 -11.886 1.00 0.00 C ATOM 1076 CE2 PHE A 75 -2.514 2.825 -12.065 1.00 0.00 C ATOM 1077 CZ PHE A 75 -2.463 1.542 -12.575 1.00 0.00 C ATOM 0 H PHE A 75 -5.463 0.070 -8.554 1.00 0.00 H new ATOM 0 HA PHE A 75 -2.973 1.148 -7.845 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.544 2.203 -9.020 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.284 3.335 -8.570 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.172 -0.062 -10.156 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.201 4.074 -10.478 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.021 -0.499 -12.281 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.046 3.638 -12.601 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.958 1.351 -13.510 1.00 0.00 H new ATOM 1087 N GLU A 76 -5.400 2.698 -6.230 1.00 0.00 N ATOM 1088 CA GLU A 76 -5.725 3.389 -4.986 1.00 0.00 C ATOM 1089 C GLU A 76 -5.877 2.401 -3.832 1.00 0.00 C ATOM 1090 O GLU A 76 -5.789 2.782 -2.664 1.00 0.00 O ATOM 1091 CB GLU A 76 -7.014 4.197 -5.147 1.00 0.00 C ATOM 1092 CG GLU A 76 -7.023 5.090 -6.378 1.00 0.00 C ATOM 1093 CD GLU A 76 -7.069 6.566 -6.028 1.00 0.00 C ATOM 1094 OE1 GLU A 76 -7.817 6.932 -5.098 1.00 0.00 O ATOM 1095 OE2 GLU A 76 -6.356 7.354 -6.685 1.00 0.00 O ATOM 0 H GLU A 76 -6.123 2.758 -6.947 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.903 4.066 -4.756 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.859 3.511 -5.200 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.160 4.814 -4.260 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.133 4.889 -6.974 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.885 4.840 -6.997 1.00 0.00 H new ATOM 1102 N GLU A 77 -6.113 1.135 -4.162 1.00 0.00 N ATOM 1103 CA GLU A 77 -6.283 0.101 -3.148 1.00 0.00 C ATOM 1104 C GLU A 77 -5.080 0.046 -2.207 1.00 0.00 C ATOM 1105 O GLU A 77 -5.193 -0.425 -1.075 1.00 0.00 O ATOM 1106 CB GLU A 77 -6.504 -1.263 -3.807 1.00 0.00 C ATOM 1107 CG GLU A 77 -7.938 -1.755 -3.700 1.00 0.00 C ATOM 1108 CD GLU A 77 -8.116 -3.166 -4.231 1.00 0.00 C ATOM 1109 OE1 GLU A 77 -7.193 -3.989 -4.055 1.00 0.00 O ATOM 1110 OE2 GLU A 77 -9.179 -3.449 -4.823 1.00 0.00 O ATOM 0 H GLU A 77 -6.191 0.801 -5.123 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.163 0.354 -2.557 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.226 -1.200 -4.859 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.841 -1.994 -3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.252 -1.722 -2.657 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.592 -1.079 -4.251 1.00 0.00 H new ATOM 1117 N PHE A 78 -3.934 0.536 -2.672 1.00 0.00 N ATOM 1118 CA PHE A 78 -2.725 0.544 -1.852 1.00 0.00 C ATOM 1119 C PHE A 78 -2.836 1.568 -0.722 1.00 0.00 C ATOM 1120 O PHE A 78 -2.005 1.595 0.185 1.00 0.00 O ATOM 1121 CB PHE A 78 -1.492 0.839 -2.706 1.00 0.00 C ATOM 1122 CG PHE A 78 -0.206 0.436 -2.044 1.00 0.00 C ATOM 1123 CD1 PHE A 78 0.289 -0.850 -2.188 1.00 0.00 C ATOM 1124 CD2 PHE A 78 0.507 1.342 -1.276 1.00 0.00 C ATOM 1125 CE1 PHE A 78 1.471 -1.225 -1.578 1.00 0.00 C ATOM 1126 CE2 PHE A 78 1.689 0.973 -0.662 1.00 0.00 C ATOM 1127 CZ PHE A 78 2.171 -0.312 -0.814 1.00 0.00 C ATOM 0 H PHE A 78 -3.817 0.930 -3.605 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.617 -0.447 -1.412 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.583 0.316 -3.658 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.460 1.905 -2.930 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.255 -1.568 -2.784 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.135 2.349 -1.156 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.847 -2.230 -1.699 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.235 1.688 -0.064 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.095 -0.603 -0.336 1.00 0.00 H new ATOM 1137 N LEU A 79 -3.874 2.401 -0.772 1.00 0.00 N ATOM 1138 CA LEU A 79 -4.094 3.404 0.260 1.00 0.00 C ATOM 1139 C LEU A 79 -5.068 2.872 1.304 1.00 0.00 C ATOM 1140 O LEU A 79 -4.890 3.088 2.503 1.00 0.00 O ATOM 1141 CB LEU A 79 -4.633 4.698 -0.354 1.00 0.00 C ATOM 1142 CG LEU A 79 -3.619 5.491 -1.185 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -4.091 5.620 -2.626 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -3.383 6.865 -0.575 1.00 0.00 C ATOM 0 H LEU A 79 -4.572 2.399 -1.515 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.141 3.622 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.487 4.455 -0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.002 5.337 0.448 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.674 4.947 -1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.357 6.186 -3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.205 4.627 -3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.049 6.139 -2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.660 7.412 -1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.323 7.416 -0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.997 6.752 0.438 1.00 0.00 H new ATOM 1156 N VAL A 80 -6.092 2.162 0.837 1.00 0.00 N ATOM 1157 CA VAL A 80 -7.092 1.583 1.725 1.00 0.00 C ATOM 1158 C VAL A 80 -6.472 0.509 2.605 1.00 0.00 C ATOM 1159 O VAL A 80 -6.877 0.318 3.751 1.00 0.00 O ATOM 1160 CB VAL A 80 -8.262 0.965 0.936 1.00 0.00 C ATOM 1161 CG1 VAL A 80 -9.339 0.457 1.882 1.00 0.00 C ATOM 1162 CG2 VAL A 80 -8.838 1.976 -0.041 1.00 0.00 C ATOM 0 H VAL A 80 -6.250 1.975 -0.153 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.474 2.394 2.345 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.882 0.116 0.367 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.156 0.025 1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.917 -0.303 2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.717 1.285 2.481 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -9.663 1.522 -0.590 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.201 2.846 0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.063 2.286 -0.742 1.00 0.00 H new ATOM 1172 N MET A 81 -5.481 -0.189 2.060 1.00 0.00 N ATOM 1173 CA MET A 81 -4.794 -1.243 2.791 1.00 0.00 C ATOM 1174 C MET A 81 -4.297 -0.717 4.130 1.00 0.00 C ATOM 1175 O MET A 81 -4.399 -1.388 5.155 1.00 0.00 O ATOM 1176 CB MET A 81 -3.618 -1.773 1.971 1.00 0.00 C ATOM 1177 CG MET A 81 -2.889 -0.705 1.182 1.00 0.00 C ATOM 1178 SD MET A 81 -1.161 -1.119 0.888 1.00 0.00 S ATOM 1179 CE MET A 81 -0.650 -1.523 2.552 1.00 0.00 C ATOM 0 H MET A 81 -5.136 -0.042 1.111 1.00 0.00 H new ATOM 0 HA MET A 81 -5.496 -2.057 2.970 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.911 -2.262 2.642 1.00 0.00 H new ATOM 0 HB3 MET A 81 -3.982 -2.535 1.282 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.391 -0.558 0.226 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.946 0.241 1.720 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.415 -1.320 2.665 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.212 -0.917 3.263 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.841 -2.579 2.745 1.00 0.00 H new ATOM 1189 N MET A 82 -3.768 0.498 4.103 1.00 0.00 N ATOM 1190 CA MET A 82 -3.259 1.143 5.302 1.00 0.00 C ATOM 1191 C MET A 82 -4.390 1.839 6.056 1.00 0.00 C ATOM 1192 O MET A 82 -4.358 1.946 7.281 1.00 0.00 O ATOM 1193 CB MET A 82 -2.167 2.151 4.932 1.00 0.00 C ATOM 1194 CG MET A 82 -0.881 1.970 5.722 1.00 0.00 C ATOM 1195 SD MET A 82 0.427 3.094 5.193 1.00 0.00 S ATOM 1196 CE MET A 82 0.557 2.669 3.458 1.00 0.00 C ATOM 0 H MET A 82 -3.680 1.060 3.256 1.00 0.00 H new ATOM 0 HA MET A 82 -2.830 0.381 5.953 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.946 2.061 3.868 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.545 3.160 5.095 1.00 0.00 H new ATOM 0 HG2 MET A 82 -1.085 2.129 6.781 1.00 0.00 H new ATOM 0 HG3 MET A 82 -0.536 0.942 5.615 1.00 0.00 H new ATOM 0 HE1 MET A 82 1.603 2.503 3.201 1.00 0.00 H new ATOM 0 HE2 MET A 82 -0.013 1.761 3.262 1.00 0.00 H new ATOM 0 HE3 MET A 82 0.160 3.484 2.853 1.00 0.00 H new ATOM 1206 N VAL A 83 -5.394 2.302 5.313 1.00 0.00 N ATOM 1207 CA VAL A 83 -6.540 2.977 5.911 1.00 0.00 C ATOM 1208 C VAL A 83 -7.305 2.031 6.834 1.00 0.00 C ATOM 1209 O VAL A 83 -7.793 2.436 7.889 1.00 0.00 O ATOM 1210 CB VAL A 83 -7.501 3.520 4.829 1.00 0.00 C ATOM 1211 CG1 VAL A 83 -8.711 4.193 5.462 1.00 0.00 C ATOM 1212 CG2 VAL A 83 -6.777 4.485 3.901 1.00 0.00 C ATOM 0 H VAL A 83 -5.435 2.221 4.297 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.154 3.815 6.491 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.854 2.674 4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.371 4.566 4.679 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.249 3.471 6.076 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.381 5.024 6.085 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.472 4.855 3.147 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.388 5.323 4.479 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.952 3.969 3.411 1.00 0.00 H new ATOM 1222 N ARG A 84 -7.404 0.770 6.426 1.00 0.00 N ATOM 1223 CA ARG A 84 -8.110 -0.236 7.212 1.00 0.00 C ATOM 1224 C ARG A 84 -7.354 -0.570 8.498 1.00 0.00 C ATOM 1225 O ARG A 84 -7.916 -1.162 9.419 1.00 0.00 O ATOM 1226 CB ARG A 84 -8.314 -1.508 6.385 1.00 0.00 C ATOM 1227 CG ARG A 84 -9.021 -1.264 5.061 1.00 0.00 C ATOM 1228 CD ARG A 84 -10.152 -2.256 4.839 1.00 0.00 C ATOM 1229 NE ARG A 84 -11.316 -1.628 4.219 1.00 0.00 N ATOM 1230 CZ ARG A 84 -12.540 -2.152 4.239 1.00 0.00 C ATOM 1231 NH1 ARG A 84 -12.764 -3.312 4.844 1.00 0.00 N ATOM 1232 NH2 ARG A 84 -13.544 -1.515 3.652 1.00 0.00 N ATOM 0 H ARG A 84 -7.004 0.420 5.555 1.00 0.00 H new ATOM 0 HA ARG A 84 -9.081 0.177 7.485 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.344 -1.965 6.191 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.892 -2.223 6.970 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.418 -0.249 5.041 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.303 -1.342 4.245 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.800 -3.072 4.207 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -10.442 -2.695 5.794 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.183 -0.736 3.743 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.996 -3.807 5.297 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.704 -3.708 4.856 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -13.379 -0.623 3.185 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -14.481 -1.917 3.667 1.00 0.00 H new ATOM 1246 N GLN A 85 -6.081 -0.187 8.557 1.00 0.00 N ATOM 1247 CA GLN A 85 -5.261 -0.449 9.736 1.00 0.00 C ATOM 1248 C GLN A 85 -4.968 0.843 10.493 1.00 0.00 C ATOM 1249 O GLN A 85 -4.704 0.823 11.694 1.00 0.00 O ATOM 1250 CB GLN A 85 -3.946 -1.126 9.336 1.00 0.00 C ATOM 1251 CG GLN A 85 -4.104 -2.183 8.255 1.00 0.00 C ATOM 1252 CD GLN A 85 -5.188 -3.192 8.577 1.00 0.00 C ATOM 1253 OE1 GLN A 85 -6.209 -3.265 7.894 1.00 0.00 O ATOM 1254 NE2 GLN A 85 -4.970 -3.979 9.625 1.00 0.00 N ATOM 0 H GLN A 85 -5.597 0.304 7.805 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.820 -1.117 10.391 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -3.248 -0.365 8.988 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -3.502 -1.586 10.219 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.336 -1.696 7.308 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.156 -2.704 8.121 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -4.109 -3.884 10.164 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.664 -4.678 9.891 1.00 0.00 H new ATOM 1263 N MET A 86 -5.018 1.964 9.780 1.00 0.00 N ATOM 1264 CA MET A 86 -4.758 3.265 10.382 1.00 0.00 C ATOM 1265 C MET A 86 -5.929 3.704 11.254 1.00 0.00 C ATOM 1266 O MET A 86 -5.737 4.182 12.372 1.00 0.00 O ATOM 1267 CB MET A 86 -4.492 4.301 9.290 1.00 0.00 C ATOM 1268 CG MET A 86 -3.033 4.371 8.866 1.00 0.00 C ATOM 1269 SD MET A 86 -2.642 5.879 7.958 1.00 0.00 S ATOM 1270 CE MET A 86 -2.062 5.201 6.403 1.00 0.00 C ATOM 0 H MET A 86 -5.236 1.996 8.784 1.00 0.00 H new ATOM 0 HA MET A 86 -3.876 3.182 11.017 1.00 0.00 H new ATOM 0 HB2 MET A 86 -5.105 4.066 8.420 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.807 5.282 9.646 1.00 0.00 H new ATOM 0 HG2 MET A 86 -2.399 4.310 9.750 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.798 3.507 8.245 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.682 6.006 5.774 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.264 4.483 6.594 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.886 4.701 5.894 1.00 0.00 H new ATOM 1280 N LYS A 87 -7.143 3.537 10.738 1.00 0.00 N ATOM 1281 CA LYS A 87 -8.343 3.913 11.475 1.00 0.00 C ATOM 1282 C LYS A 87 -8.568 2.977 12.659 1.00 0.00 C ATOM 1283 O LYS A 87 -9.074 3.389 13.703 1.00 0.00 O ATOM 1284 CB LYS A 87 -9.563 3.889 10.554 1.00 0.00 C ATOM 1285 CG LYS A 87 -9.726 5.155 9.728 1.00 0.00 C ATOM 1286 CD LYS A 87 -9.903 4.840 8.251 1.00 0.00 C ATOM 1287 CE LYS A 87 -11.184 4.062 7.998 1.00 0.00 C ATOM 1288 NZ LYS A 87 -11.559 4.060 6.556 1.00 0.00 N ATOM 0 H LYS A 87 -7.321 3.144 9.814 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.204 4.925 11.854 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.484 3.034 9.882 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.459 3.740 11.156 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.589 5.716 10.087 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.853 5.793 9.863 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.921 5.768 7.679 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.049 4.263 7.896 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.059 3.035 8.342 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.994 4.497 8.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.595 4.069 6.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.164 4.904 6.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.180 3.206 6.100 1.00 0.00 H new ATOM 1384 N SER B 117 1.355 2.423 10.075 1.00 0.00 N ATOM 1385 CA SER B 117 2.582 3.208 10.005 1.00 0.00 C ATOM 1386 C SER B 117 3.515 2.666 8.928 1.00 0.00 C ATOM 1387 O SER B 117 4.734 2.802 9.020 1.00 0.00 O ATOM 1388 CB SER B 117 3.291 3.212 11.360 1.00 0.00 C ATOM 1389 OG SER B 117 4.048 2.029 11.545 1.00 0.00 O ATOM 0 HA SER B 117 2.313 4.231 9.744 1.00 0.00 H new ATOM 0 HB2 SER B 117 3.946 4.081 11.428 1.00 0.00 H new ATOM 0 HB3 SER B 117 2.555 3.305 12.158 1.00 0.00 H new ATOM 0 HG SER B 117 4.492 2.058 12.418 1.00 0.00 H new ATOM 1395 N ALA B 118 2.929 2.054 7.904 1.00 0.00 N ATOM 1396 CA ALA B 118 3.699 1.495 6.801 1.00 0.00 C ATOM 1397 C ALA B 118 4.368 2.595 5.980 1.00 0.00 C ATOM 1398 O ALA B 118 5.215 2.318 5.132 1.00 0.00 O ATOM 1399 CB ALA B 118 2.803 0.645 5.914 1.00 0.00 C ATOM 0 H ALA B 118 1.920 1.933 7.816 1.00 0.00 H new ATOM 0 HA ALA B 118 4.484 0.866 7.221 1.00 0.00 H new ATOM 0 HB1 ALA B 118 3.390 0.233 5.093 1.00 0.00 H new ATOM 0 HB2 ALA B 118 2.377 -0.169 6.501 1.00 0.00 H new ATOM 0 HB3 ALA B 118 1.999 1.261 5.512 1.00 0.00 H new ATOM 1405 N ASP B 119 3.979 3.847 6.239 1.00 0.00 N ATOM 1406 CA ASP B 119 4.530 4.999 5.529 1.00 0.00 C ATOM 1407 C ASP B 119 6.039 4.879 5.321 1.00 0.00 C ATOM 1408 O ASP B 119 6.581 5.424 4.362 1.00 0.00 O ATOM 1409 CB ASP B 119 4.214 6.285 6.292 1.00 0.00 C ATOM 1410 CG ASP B 119 4.644 7.527 5.538 1.00 0.00 C ATOM 1411 OD1 ASP B 119 3.893 7.966 4.640 1.00 0.00 O ATOM 1412 OD2 ASP B 119 5.730 8.062 5.843 1.00 0.00 O ATOM 0 H ASP B 119 3.279 4.087 6.941 1.00 0.00 H new ATOM 0 HA ASP B 119 4.062 5.029 4.545 1.00 0.00 H new ATOM 0 HB2 ASP B 119 3.143 6.334 6.486 1.00 0.00 H new ATOM 0 HB3 ASP B 119 4.713 6.261 7.261 1.00 0.00 H new ATOM 1417 N ALA B 120 6.715 4.166 6.219 1.00 0.00 N ATOM 1418 CA ALA B 120 8.160 3.986 6.113 1.00 0.00 C ATOM 1419 C ALA B 120 8.558 3.570 4.702 1.00 0.00 C ATOM 1420 O ALA B 120 9.296 4.285 4.021 1.00 0.00 O ATOM 1421 CB ALA B 120 8.644 2.962 7.130 1.00 0.00 C ATOM 0 H ALA B 120 6.288 3.706 7.023 1.00 0.00 H new ATOM 0 HA ALA B 120 8.637 4.942 6.328 1.00 0.00 H new ATOM 0 HB1 ALA B 120 9.723 2.840 7.038 1.00 0.00 H new ATOM 0 HB2 ALA B 120 8.403 3.306 8.136 1.00 0.00 H new ATOM 0 HB3 ALA B 120 8.153 2.006 6.946 1.00 0.00 H new ATOM 1427 N MET B 121 8.055 2.423 4.256 1.00 0.00 N ATOM 1428 CA MET B 121 8.352 1.938 2.915 1.00 0.00 C ATOM 1429 C MET B 121 7.906 2.969 1.885 1.00 0.00 C ATOM 1430 O MET B 121 8.569 3.179 0.869 1.00 0.00 O ATOM 1431 CB MET B 121 7.652 0.598 2.660 1.00 0.00 C ATOM 1432 CG MET B 121 7.579 0.206 1.187 1.00 0.00 C ATOM 1433 SD MET B 121 5.885 0.075 0.590 1.00 0.00 S ATOM 1434 CE MET B 121 5.293 -1.281 1.595 1.00 0.00 C ATOM 0 H MET B 121 7.443 1.816 4.801 1.00 0.00 H new ATOM 0 HA MET B 121 9.428 1.785 2.826 1.00 0.00 H new ATOM 0 HB2 MET B 121 8.177 -0.184 3.208 1.00 0.00 H new ATOM 0 HB3 MET B 121 6.640 0.646 3.063 1.00 0.00 H new ATOM 0 HG2 MET B 121 8.115 0.945 0.591 1.00 0.00 H new ATOM 0 HG3 MET B 121 8.086 -0.748 1.043 1.00 0.00 H new ATOM 0 HE1 MET B 121 4.392 -1.699 1.147 1.00 0.00 H new ATOM 0 HE2 MET B 121 6.061 -2.052 1.654 1.00 0.00 H new ATOM 0 HE3 MET B 121 5.065 -0.919 2.597 1.00 0.00 H new ATOM 1444 N LEU B 122 6.781 3.614 2.166 1.00 0.00 N ATOM 1445 CA LEU B 122 6.243 4.630 1.278 1.00 0.00 C ATOM 1446 C LEU B 122 7.221 5.795 1.162 1.00 0.00 C ATOM 1447 O LEU B 122 7.422 6.344 0.079 1.00 0.00 O ATOM 1448 CB LEU B 122 4.885 5.124 1.793 1.00 0.00 C ATOM 1449 CG LEU B 122 3.718 4.141 1.627 1.00 0.00 C ATOM 1450 CD1 LEU B 122 4.080 2.767 2.175 1.00 0.00 C ATOM 1451 CD2 LEU B 122 2.469 4.677 2.317 1.00 0.00 C ATOM 0 H LEU B 122 6.224 3.449 3.005 1.00 0.00 H new ATOM 0 HA LEU B 122 6.100 4.192 0.290 1.00 0.00 H new ATOM 0 HB2 LEU B 122 4.984 5.368 2.851 1.00 0.00 H new ATOM 0 HB3 LEU B 122 4.634 6.049 1.275 1.00 0.00 H new ATOM 0 HG LEU B 122 3.511 4.037 0.562 1.00 0.00 H new ATOM 0 HD11 LEU B 122 3.236 2.090 2.045 1.00 0.00 H new ATOM 0 HD12 LEU B 122 4.944 2.377 1.637 1.00 0.00 H new ATOM 0 HD13 LEU B 122 4.319 2.850 3.235 1.00 0.00 H new ATOM 0 HD21 LEU B 122 1.651 3.968 2.190 1.00 0.00 H new ATOM 0 HD22 LEU B 122 2.670 4.812 3.380 1.00 0.00 H new ATOM 0 HD23 LEU B 122 2.192 5.634 1.875 1.00 0.00 H new ATOM 1463 N ARG B 123 7.836 6.159 2.287 1.00 0.00 N ATOM 1464 CA ARG B 123 8.802 7.250 2.316 1.00 0.00 C ATOM 1465 C ARG B 123 10.221 6.737 2.065 1.00 0.00 C ATOM 1466 O ARG B 123 11.196 7.447 2.306 1.00 0.00 O ATOM 1467 CB ARG B 123 8.742 7.973 3.663 1.00 0.00 C ATOM 1468 CG ARG B 123 9.402 9.342 3.652 1.00 0.00 C ATOM 1469 CD ARG B 123 9.970 9.700 5.017 1.00 0.00 C ATOM 1470 NE ARG B 123 9.417 10.950 5.531 1.00 0.00 N ATOM 1471 CZ ARG B 123 8.220 11.050 6.105 1.00 0.00 C ATOM 1472 NH1 ARG B 123 7.449 9.978 6.239 1.00 0.00 N ATOM 1473 NH2 ARG B 123 7.793 12.225 6.547 1.00 0.00 N ATOM 0 H ARG B 123 7.680 5.712 3.190 1.00 0.00 H new ATOM 0 HA ARG B 123 8.544 7.949 1.520 1.00 0.00 H new ATOM 0 HB2 ARG B 123 7.699 8.085 3.959 1.00 0.00 H new ATOM 0 HB3 ARG B 123 9.224 7.353 4.420 1.00 0.00 H new ATOM 0 HG2 ARG B 123 10.200 9.356 2.910 1.00 0.00 H new ATOM 0 HG3 ARG B 123 8.674 10.095 3.351 1.00 0.00 H new ATOM 0 HD2 ARG B 123 9.758 8.894 5.720 1.00 0.00 H new ATOM 0 HD3 ARG B 123 11.054 9.785 4.947 1.00 0.00 H new ATOM 0 HE ARG B 123 9.981 11.796 5.445 1.00 0.00 H new ATOM 0 HH11 ARG B 123 7.773 9.072 5.901 1.00 0.00 H new ATOM 0 HH12 ARG B 123 6.533 10.061 6.680 1.00 0.00 H new ATOM 0 HH21 ARG B 123 8.382 13.052 6.447 1.00 0.00 H new ATOM 0 HH22 ARG B 123 6.876 12.302 6.987 1.00 0.00 H new ATOM 1487 N ALA B 124 10.330 5.499 1.588 1.00 0.00 N ATOM 1488 CA ALA B 124 11.630 4.897 1.316 1.00 0.00 C ATOM 1489 C ALA B 124 12.126 5.246 -0.082 1.00 0.00 C ATOM 1490 O ALA B 124 13.058 6.033 -0.244 1.00 0.00 O ATOM 1491 CB ALA B 124 11.552 3.387 1.485 1.00 0.00 C ATOM 0 H ALA B 124 9.534 4.895 1.383 1.00 0.00 H new ATOM 0 HA ALA B 124 12.344 5.303 2.033 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.528 2.947 1.280 1.00 0.00 H new ATOM 0 HB2 ALA B 124 11.255 3.150 2.507 1.00 0.00 H new ATOM 0 HB3 ALA B 124 10.817 2.981 0.790 1.00 0.00 H new ATOM 1497 N LEU B 125 11.500 4.646 -1.087 1.00 0.00 N ATOM 1498 CA LEU B 125 11.878 4.879 -2.474 1.00 0.00 C ATOM 1499 C LEU B 125 11.387 6.238 -2.971 1.00 0.00 C ATOM 1500 O LEU B 125 11.780 6.690 -4.047 1.00 0.00 O ATOM 1501 CB LEU B 125 11.322 3.762 -3.357 1.00 0.00 C ATOM 1502 CG LEU B 125 11.618 2.348 -2.859 1.00 0.00 C ATOM 1503 CD1 LEU B 125 10.550 1.381 -3.336 1.00 0.00 C ATOM 1504 CD2 LEU B 125 12.996 1.898 -3.318 1.00 0.00 C ATOM 0 H LEU B 125 10.726 3.993 -0.966 1.00 0.00 H new ATOM 0 HA LEU B 125 12.967 4.881 -2.531 1.00 0.00 H new ATOM 0 HB2 LEU B 125 10.242 3.885 -3.439 1.00 0.00 H new ATOM 0 HB3 LEU B 125 11.732 3.872 -4.361 1.00 0.00 H new ATOM 0 HG LEU B 125 11.608 2.357 -1.769 1.00 0.00 H new ATOM 0 HD11 LEU B 125 10.777 0.379 -2.972 1.00 0.00 H new ATOM 0 HD12 LEU B 125 9.579 1.694 -2.954 1.00 0.00 H new ATOM 0 HD13 LEU B 125 10.526 1.374 -4.426 1.00 0.00 H new ATOM 0 HD21 LEU B 125 13.189 0.889 -2.954 1.00 0.00 H new ATOM 0 HD22 LEU B 125 13.037 1.905 -4.407 1.00 0.00 H new ATOM 0 HD23 LEU B 125 13.751 2.577 -2.922 1.00 0.00 H new