USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 591 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 87 MET CE :methyl -119:sc= -2.19 (180deg=-4.23!) USER MOD Set 1.2: A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HE2:sc= -3.26! C(o=-3.3!,f=-9.5!) USER MOD Single : A 85 SER OG : rot 82:sc= -0.721! USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 92 TYR OH : rot 180:sc= -0.161 USER MOD Single : A 94 THR OG1 : rot 31:sc= 0.345 USER MOD Single : A 96 SER OG : rot -24:sc= 0.204 USER MOD Single : A 100 LYS NZ :NH3+ -162:sc= -0.0103 (180deg=-0.121) USER MOD Single : A 107 GLN : amide:sc= -0.714 K(o=-0.71,f=-3.4!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.477 K(o=-0.48,f=-1.1) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0628 USER MOD Single : A 116 CYS SG : rot 168:sc= 0.628 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 126 GLN : amide:sc= -0.145 K(o=-0.15,f=-0.76) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 40:sc= 0.362 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 120:sc= -0.645 USER MOD Single : A 144 GLN : amide:sc= -0.537 K(o=-0.54,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 80 -9.933 11.509 -2.913 1.00 0.00 N ATOM 67 CA GLY A 80 -8.554 11.060 -2.866 1.00 0.00 C ATOM 68 C GLY A 80 -8.191 10.417 -1.542 1.00 0.00 C ATOM 69 O GLY A 80 -8.855 10.641 -0.529 1.00 0.00 O ATOM 0 HA2 GLY A 80 -8.381 10.346 -3.671 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.894 11.909 -3.046 1.00 0.00 H new ATOM 73 N HIS A 81 -7.130 9.615 -1.552 1.00 0.00 N ATOM 74 CA HIS A 81 -6.669 8.933 -0.349 1.00 0.00 C ATOM 75 C HIS A 81 -5.568 7.933 -0.688 1.00 0.00 C ATOM 76 O HIS A 81 -5.831 6.744 -0.867 1.00 0.00 O ATOM 77 CB HIS A 81 -7.830 8.215 0.338 1.00 0.00 C ATOM 78 CG HIS A 81 -7.409 7.368 1.501 1.00 0.00 C ATOM 79 ND1 HIS A 81 -6.630 6.237 1.367 1.00 0.00 N ATOM 80 CD2 HIS A 81 -7.663 7.493 2.825 1.00 0.00 C ATOM 81 CE1 HIS A 81 -6.425 5.704 2.559 1.00 0.00 C ATOM 82 NE2 HIS A 81 -7.040 6.447 3.460 1.00 0.00 N ATOM 0 H HIS A 81 -6.572 9.422 -2.384 1.00 0.00 H new ATOM 0 HA HIS A 81 -6.265 9.682 0.332 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.552 8.956 0.682 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -8.341 7.587 -0.392 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -6.269 5.870 0.486 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.247 8.271 3.294 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.851 4.812 2.761 1.00 0.00 H new ATOM 91 N ILE A 82 -4.336 8.422 -0.777 1.00 0.00 N ATOM 92 CA ILE A 82 -3.201 7.566 -1.095 1.00 0.00 C ATOM 93 C ILE A 82 -2.382 7.253 0.150 1.00 0.00 C ATOM 94 O ILE A 82 -2.716 7.686 1.254 1.00 0.00 O ATOM 95 CB ILE A 82 -2.269 8.208 -2.142 1.00 0.00 C ATOM 96 CG1 ILE A 82 -2.947 9.396 -2.815 1.00 0.00 C ATOM 97 CG2 ILE A 82 -1.846 7.179 -3.179 1.00 0.00 C ATOM 98 CD1 ILE A 82 -4.304 9.065 -3.384 1.00 0.00 C ATOM 0 H ILE A 82 -4.099 9.404 -0.634 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.619 6.647 -1.506 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.378 8.570 -1.629 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.052 10.204 -2.091 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.306 9.766 -3.615 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.188 7.649 -3.911 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.317 6.363 -2.687 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.729 6.787 -3.684 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -4.731 9.954 -3.848 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -4.203 8.278 -4.132 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.960 8.723 -2.584 1.00 0.00 H new ATOM 110 N VAL A 83 -1.304 6.504 -0.039 1.00 0.00 N ATOM 111 CA VAL A 83 -0.424 6.132 1.062 1.00 0.00 C ATOM 112 C VAL A 83 1.030 6.420 0.712 1.00 0.00 C ATOM 113 O VAL A 83 1.935 5.708 1.147 1.00 0.00 O ATOM 114 CB VAL A 83 -0.571 4.644 1.425 1.00 0.00 C ATOM 115 CG1 VAL A 83 0.120 4.345 2.746 1.00 0.00 C ATOM 116 CG2 VAL A 83 -2.039 4.251 1.479 1.00 0.00 C ATOM 0 H VAL A 83 -1.017 6.141 -0.948 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.718 6.733 1.923 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.089 4.050 0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.005 3.288 2.986 1.00 0.00 H new ATOM 0 HG12 VAL A 83 1.180 4.585 2.665 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.329 4.947 3.536 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.124 3.195 1.737 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.549 4.851 2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.498 4.425 0.506 1.00 0.00 H new ATOM 126 N ARG A 84 1.241 7.469 -0.080 1.00 0.00 N ATOM 127 CA ARG A 84 2.582 7.867 -0.503 1.00 0.00 C ATOM 128 C ARG A 84 3.623 7.512 0.552 1.00 0.00 C ATOM 129 O ARG A 84 3.557 7.979 1.689 1.00 0.00 O ATOM 130 CB ARG A 84 2.621 9.369 -0.793 1.00 0.00 C ATOM 131 CG ARG A 84 1.732 10.196 0.125 1.00 0.00 C ATOM 132 CD ARG A 84 1.220 11.444 -0.576 1.00 0.00 C ATOM 133 NE ARG A 84 0.356 12.244 0.287 1.00 0.00 N ATOM 134 CZ ARG A 84 -0.358 13.281 -0.143 1.00 0.00 C ATOM 135 NH1 ARG A 84 -0.311 13.635 -1.419 1.00 0.00 N ATOM 136 NH2 ARG A 84 -1.119 13.962 0.703 1.00 0.00 N ATOM 0 H ARG A 84 0.495 8.062 -0.444 1.00 0.00 H new ATOM 0 HA ARG A 84 2.822 7.319 -1.414 1.00 0.00 H new ATOM 0 HB2 ARG A 84 3.649 9.721 -0.701 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.317 9.538 -1.826 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.888 9.592 0.458 1.00 0.00 H new ATOM 0 HG3 ARG A 84 2.291 10.481 1.016 1.00 0.00 H new ATOM 0 HD2 ARG A 84 2.066 12.049 -0.902 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.670 11.156 -1.472 1.00 0.00 H new ATOM 0 HE ARG A 84 0.296 11.994 1.274 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.273 13.112 -2.072 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.859 14.430 -1.748 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.158 13.691 1.686 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.666 14.757 0.371 1.00 0.00 H new ATOM 150 N SER A 85 4.584 6.679 0.166 1.00 0.00 N ATOM 151 CA SER A 85 5.640 6.253 1.076 1.00 0.00 C ATOM 152 C SER A 85 6.048 7.389 2.007 1.00 0.00 C ATOM 153 O SER A 85 6.768 8.304 1.609 1.00 0.00 O ATOM 154 CB SER A 85 6.856 5.761 0.289 1.00 0.00 C ATOM 155 OG SER A 85 6.963 6.431 -0.956 1.00 0.00 O ATOM 0 H SER A 85 4.653 6.285 -0.772 1.00 0.00 H new ATOM 0 HA SER A 85 5.253 5.433 1.681 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.762 5.925 0.873 1.00 0.00 H new ATOM 0 HB3 SER A 85 6.775 4.687 0.122 1.00 0.00 H new ATOM 0 HG SER A 85 7.401 7.298 -0.824 1.00 0.00 H new ATOM 161 N PRO A 86 5.593 7.339 3.267 1.00 0.00 N ATOM 162 CA PRO A 86 5.911 8.364 4.263 1.00 0.00 C ATOM 163 C PRO A 86 7.409 8.626 4.356 1.00 0.00 C ATOM 164 O PRO A 86 7.838 9.691 4.802 1.00 0.00 O ATOM 165 CB PRO A 86 5.390 7.764 5.570 1.00 0.00 C ATOM 166 CG PRO A 86 4.314 6.821 5.153 1.00 0.00 C ATOM 167 CD PRO A 86 4.732 6.277 3.815 1.00 0.00 C ATOM 0 HA PRO A 86 5.466 9.328 4.017 1.00 0.00 H new ATOM 0 HB2 PRO A 86 6.182 7.246 6.111 1.00 0.00 H new ATOM 0 HB3 PRO A 86 5.003 8.537 6.234 1.00 0.00 H new ATOM 0 HG2 PRO A 86 4.196 6.018 5.881 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.354 7.332 5.083 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.271 5.335 3.915 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.872 6.086 3.173 1.00 0.00 H new ATOM 175 N MET A 87 8.200 7.647 3.932 1.00 0.00 N ATOM 176 CA MET A 87 9.653 7.768 3.965 1.00 0.00 C ATOM 177 C MET A 87 10.277 7.134 2.727 1.00 0.00 C ATOM 178 O MET A 87 9.571 6.662 1.836 1.00 0.00 O ATOM 179 CB MET A 87 10.211 7.109 5.228 1.00 0.00 C ATOM 180 CG MET A 87 9.939 5.616 5.305 1.00 0.00 C ATOM 181 SD MET A 87 9.914 5.000 6.999 1.00 0.00 S ATOM 182 CE MET A 87 11.501 4.175 7.082 1.00 0.00 C ATOM 0 H MET A 87 7.859 6.760 3.561 1.00 0.00 H new ATOM 0 HA MET A 87 9.906 8.828 3.976 1.00 0.00 H new ATOM 0 HB2 MET A 87 11.287 7.277 5.270 1.00 0.00 H new ATOM 0 HB3 MET A 87 9.778 7.594 6.103 1.00 0.00 H new ATOM 0 HG2 MET A 87 8.982 5.400 4.830 1.00 0.00 H new ATOM 0 HG3 MET A 87 10.703 5.082 4.740 1.00 0.00 H new ATOM 0 HE1 MET A 87 11.350 3.115 7.288 1.00 0.00 H new ATOM 0 HE2 MET A 87 12.021 4.289 6.131 1.00 0.00 H new ATOM 0 HE3 MET A 87 12.100 4.618 7.878 1.00 0.00 H new ATOM 192 N VAL A 88 11.605 7.125 2.678 1.00 0.00 N ATOM 193 CA VAL A 88 12.323 6.548 1.548 1.00 0.00 C ATOM 194 C VAL A 88 12.442 5.034 1.690 1.00 0.00 C ATOM 195 O VAL A 88 13.369 4.531 2.325 1.00 0.00 O ATOM 196 CB VAL A 88 13.732 7.152 1.410 1.00 0.00 C ATOM 197 CG1 VAL A 88 14.365 6.738 0.092 1.00 0.00 C ATOM 198 CG2 VAL A 88 13.677 8.668 1.533 1.00 0.00 C ATOM 0 H VAL A 88 12.205 7.510 3.407 1.00 0.00 H new ATOM 0 HA VAL A 88 11.747 6.783 0.653 1.00 0.00 H new ATOM 0 HB VAL A 88 14.353 6.767 2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 88 15.360 7.175 0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 88 14.441 5.651 0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.748 7.090 -0.735 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.682 9.078 1.433 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.040 9.074 0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.270 8.939 2.507 1.00 0.00 H new ATOM 208 N GLY A 89 11.495 4.313 1.097 1.00 0.00 N ATOM 209 CA GLY A 89 11.513 2.864 1.170 1.00 0.00 C ATOM 210 C GLY A 89 10.976 2.211 -0.088 1.00 0.00 C ATOM 211 O GLY A 89 11.232 2.680 -1.197 1.00 0.00 O ATOM 0 H GLY A 89 10.717 4.706 0.568 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.534 2.525 1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.920 2.539 2.025 1.00 0.00 H new ATOM 215 N THR A 90 10.232 1.122 0.083 1.00 0.00 N ATOM 216 CA THR A 90 9.659 0.402 -1.048 1.00 0.00 C ATOM 217 C THR A 90 8.212 0.009 -0.770 1.00 0.00 C ATOM 218 O THR A 90 7.864 -0.362 0.351 1.00 0.00 O ATOM 219 CB THR A 90 10.489 -0.845 -1.354 1.00 0.00 C ATOM 220 OG1 THR A 90 11.850 -0.507 -1.552 1.00 0.00 O ATOM 221 CG2 THR A 90 10.017 -1.592 -2.583 1.00 0.00 C ATOM 0 H THR A 90 10.012 0.719 0.994 1.00 0.00 H new ATOM 0 HA THR A 90 9.674 1.064 -1.914 1.00 0.00 H new ATOM 0 HB THR A 90 10.366 -1.493 -0.486 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.364 -1.319 -1.745 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.649 -2.466 -2.743 1.00 0.00 H new ATOM 0 HG22 THR A 90 8.985 -1.912 -2.440 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.077 -0.937 -3.452 1.00 0.00 H new ATOM 229 N PHE A 91 7.373 0.092 -1.798 1.00 0.00 N ATOM 230 CA PHE A 91 5.963 -0.255 -1.663 1.00 0.00 C ATOM 231 C PHE A 91 5.689 -1.652 -2.215 1.00 0.00 C ATOM 232 O PHE A 91 6.316 -2.085 -3.183 1.00 0.00 O ATOM 233 CB PHE A 91 5.092 0.780 -2.383 1.00 0.00 C ATOM 234 CG PHE A 91 3.742 0.258 -2.792 1.00 0.00 C ATOM 235 CD1 PHE A 91 3.610 -0.557 -3.911 1.00 0.00 C ATOM 236 CD2 PHE A 91 2.604 0.580 -2.059 1.00 0.00 C ATOM 237 CE1 PHE A 91 2.368 -1.039 -4.293 1.00 0.00 C ATOM 238 CE2 PHE A 91 1.360 0.101 -2.436 1.00 0.00 C ATOM 239 CZ PHE A 91 1.243 -0.709 -3.554 1.00 0.00 C ATOM 0 H PHE A 91 7.645 0.396 -2.733 1.00 0.00 H new ATOM 0 HA PHE A 91 5.712 -0.253 -0.602 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.955 1.643 -1.731 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.619 1.131 -3.270 1.00 0.00 H new ATOM 0 HD1 PHE A 91 4.485 -0.817 -4.489 1.00 0.00 H new ATOM 0 HD2 PHE A 91 2.691 1.210 -1.186 1.00 0.00 H new ATOM 0 HE1 PHE A 91 2.277 -1.670 -5.165 1.00 0.00 H new ATOM 0 HE2 PHE A 91 0.484 0.358 -1.860 1.00 0.00 H new ATOM 0 HZ PHE A 91 0.274 -1.084 -3.850 1.00 0.00 H new ATOM 249 N TYR A 92 4.744 -2.350 -1.589 1.00 0.00 N ATOM 250 CA TYR A 92 4.382 -3.698 -2.010 1.00 0.00 C ATOM 251 C TYR A 92 2.881 -3.930 -1.862 1.00 0.00 C ATOM 252 O TYR A 92 2.194 -3.193 -1.155 1.00 0.00 O ATOM 253 CB TYR A 92 5.149 -4.734 -1.189 1.00 0.00 C ATOM 254 CG TYR A 92 6.627 -4.768 -1.494 1.00 0.00 C ATOM 255 CD1 TYR A 92 7.090 -4.597 -2.797 1.00 0.00 C ATOM 256 CD2 TYR A 92 7.563 -4.973 -0.481 1.00 0.00 C ATOM 257 CE1 TYR A 92 8.446 -4.627 -3.083 1.00 0.00 C ATOM 258 CE2 TYR A 92 8.921 -5.004 -0.760 1.00 0.00 C ATOM 259 CZ TYR A 92 9.356 -4.831 -2.061 1.00 0.00 C ATOM 260 OH TYR A 92 10.703 -4.862 -2.341 1.00 0.00 O ATOM 0 H TYR A 92 4.216 -2.003 -0.788 1.00 0.00 H new ATOM 0 HA TYR A 92 4.648 -3.806 -3.062 1.00 0.00 H new ATOM 0 HB2 TYR A 92 5.009 -4.522 -0.129 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.725 -5.721 -1.375 1.00 0.00 H new ATOM 0 HD1 TYR A 92 6.381 -4.439 -3.597 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.225 -5.110 0.536 1.00 0.00 H new ATOM 0 HE1 TYR A 92 8.790 -4.492 -4.098 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.635 -5.162 0.035 1.00 0.00 H new ATOM 0 HH TYR A 92 11.206 -5.013 -1.513 1.00 0.00 H new ATOM 270 N ARG A 93 2.381 -4.963 -2.533 1.00 0.00 N ATOM 271 CA ARG A 93 0.963 -5.298 -2.476 1.00 0.00 C ATOM 272 C ARG A 93 0.764 -6.808 -2.402 1.00 0.00 C ATOM 273 O ARG A 93 -0.227 -7.340 -2.902 1.00 0.00 O ATOM 274 CB ARG A 93 0.235 -4.734 -3.698 1.00 0.00 C ATOM 275 CG ARG A 93 0.539 -5.482 -4.986 1.00 0.00 C ATOM 276 CD ARG A 93 0.006 -4.739 -6.200 1.00 0.00 C ATOM 277 NE ARG A 93 -1.363 -5.130 -6.524 1.00 0.00 N ATOM 278 CZ ARG A 93 -2.006 -4.725 -7.615 1.00 0.00 C ATOM 279 NH1 ARG A 93 -1.405 -3.919 -8.479 1.00 0.00 N ATOM 280 NH2 ARG A 93 -3.249 -5.127 -7.841 1.00 0.00 N ATOM 0 H ARG A 93 2.937 -5.582 -3.122 1.00 0.00 H new ATOM 0 HA ARG A 93 0.545 -4.850 -1.575 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.839 -4.763 -3.516 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.509 -3.686 -3.823 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.616 -5.617 -5.084 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.096 -6.477 -4.944 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.042 -3.666 -6.012 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.651 -4.935 -7.057 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.853 -5.748 -5.877 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.449 -3.609 -8.307 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.899 -3.609 -9.316 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.713 -5.748 -7.178 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -3.741 -4.816 -8.678 1.00 0.00 H new ATOM 294 N THR A 94 1.714 -7.495 -1.774 1.00 0.00 N ATOM 295 CA THR A 94 1.643 -8.945 -1.632 1.00 0.00 C ATOM 296 C THR A 94 2.245 -9.391 -0.304 1.00 0.00 C ATOM 297 O THR A 94 3.410 -9.118 -0.015 1.00 0.00 O ATOM 298 CB THR A 94 2.373 -9.627 -2.790 1.00 0.00 C ATOM 299 OG1 THR A 94 3.757 -9.326 -2.758 1.00 0.00 O ATOM 300 CG2 THR A 94 1.847 -9.223 -4.151 1.00 0.00 C ATOM 0 H THR A 94 2.542 -7.071 -1.356 1.00 0.00 H new ATOM 0 HA THR A 94 0.593 -9.237 -1.651 1.00 0.00 H new ATOM 0 HB THR A 94 2.198 -10.694 -2.653 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.043 -9.200 -1.829 1.00 0.00 H new ATOM 0 HG21 THR A 94 2.409 -9.743 -4.927 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.792 -9.488 -4.227 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.961 -8.147 -4.280 1.00 0.00 H new ATOM 308 N PRO A 95 1.452 -10.088 0.525 1.00 0.00 N ATOM 309 CA PRO A 95 1.905 -10.575 1.831 1.00 0.00 C ATOM 310 C PRO A 95 2.918 -11.709 1.708 1.00 0.00 C ATOM 311 O PRO A 95 3.684 -11.973 2.635 1.00 0.00 O ATOM 312 CB PRO A 95 0.618 -11.078 2.488 1.00 0.00 C ATOM 313 CG PRO A 95 -0.276 -11.427 1.351 1.00 0.00 C ATOM 314 CD PRO A 95 0.050 -10.453 0.252 1.00 0.00 C ATOM 0 HA PRO A 95 2.415 -9.798 2.400 1.00 0.00 H new ATOM 0 HB2 PRO A 95 0.809 -11.944 3.121 1.00 0.00 H new ATOM 0 HB3 PRO A 95 0.172 -10.312 3.122 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.109 -12.454 1.025 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.324 -11.351 1.641 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.063 -10.906 -0.733 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.605 -9.582 0.279 1.00 0.00 H new ATOM 322 N SER A 96 2.915 -12.377 0.560 1.00 0.00 N ATOM 323 CA SER A 96 3.834 -13.484 0.320 1.00 0.00 C ATOM 324 C SER A 96 3.934 -13.801 -1.168 1.00 0.00 C ATOM 325 O SER A 96 2.999 -13.555 -1.931 1.00 0.00 O ATOM 326 CB SER A 96 3.379 -14.725 1.088 1.00 0.00 C ATOM 327 OG SER A 96 3.149 -14.425 2.454 1.00 0.00 O ATOM 0 H SER A 96 2.288 -12.172 -0.218 1.00 0.00 H new ATOM 0 HA SER A 96 4.821 -13.185 0.674 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.466 -15.119 0.641 1.00 0.00 H new ATOM 0 HB3 SER A 96 4.136 -15.505 1.006 1.00 0.00 H new ATOM 0 HG SER A 96 3.674 -13.637 2.709 1.00 0.00 H new ATOM 333 N PRO A 97 5.076 -14.356 -1.596 1.00 0.00 N ATOM 334 CA PRO A 97 5.308 -14.714 -2.998 1.00 0.00 C ATOM 335 C PRO A 97 4.159 -15.527 -3.585 1.00 0.00 C ATOM 336 O PRO A 97 3.991 -15.593 -4.804 1.00 0.00 O ATOM 337 CB PRO A 97 6.583 -15.555 -2.939 1.00 0.00 C ATOM 338 CG PRO A 97 7.300 -15.069 -1.727 1.00 0.00 C ATOM 339 CD PRO A 97 6.232 -14.679 -0.741 1.00 0.00 C ATOM 0 HA PRO A 97 5.389 -13.835 -3.637 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.353 -16.618 -2.864 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.187 -15.422 -3.837 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.944 -15.847 -1.317 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.939 -14.219 -1.966 1.00 0.00 H new ATOM 0 HD2 PRO A 97 6.006 -15.492 -0.051 1.00 0.00 H new ATOM 0 HD3 PRO A 97 6.536 -13.824 -0.137 1.00 0.00 H new ATOM 347 N ASP A 98 3.372 -16.146 -2.711 1.00 0.00 N ATOM 348 CA ASP A 98 2.237 -16.955 -3.143 1.00 0.00 C ATOM 349 C ASP A 98 1.026 -16.710 -2.250 1.00 0.00 C ATOM 350 O ASP A 98 0.657 -17.562 -1.441 1.00 0.00 O ATOM 351 CB ASP A 98 2.606 -18.439 -3.125 1.00 0.00 C ATOM 352 CG ASP A 98 3.625 -18.768 -2.052 1.00 0.00 C ATOM 353 OD1 ASP A 98 3.448 -18.309 -0.905 1.00 0.00 O ATOM 354 OD2 ASP A 98 4.600 -19.486 -2.360 1.00 0.00 O ATOM 0 H ASP A 98 3.499 -16.103 -1.700 1.00 0.00 H new ATOM 0 HA ASP A 98 1.981 -16.664 -4.162 1.00 0.00 H new ATOM 0 HB2 ASP A 98 1.706 -19.032 -2.962 1.00 0.00 H new ATOM 0 HB3 ASP A 98 3.003 -18.724 -4.099 1.00 0.00 H new ATOM 359 N ALA A 99 0.410 -15.543 -2.403 1.00 0.00 N ATOM 360 CA ALA A 99 -0.760 -15.189 -1.610 1.00 0.00 C ATOM 361 C ALA A 99 -1.830 -14.529 -2.471 1.00 0.00 C ATOM 362 O ALA A 99 -1.890 -14.747 -3.681 1.00 0.00 O ATOM 363 CB ALA A 99 -0.363 -14.270 -0.464 1.00 0.00 C ATOM 0 H ALA A 99 0.702 -14.827 -3.068 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.178 -16.107 -1.198 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.247 -14.014 0.120 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.360 -14.777 0.175 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.083 -13.360 -0.865 1.00 0.00 H new ATOM 369 N LYS A 100 -2.675 -13.721 -1.839 1.00 0.00 N ATOM 370 CA LYS A 100 -3.745 -13.030 -2.546 1.00 0.00 C ATOM 371 C LYS A 100 -3.507 -11.523 -2.552 1.00 0.00 C ATOM 372 O LYS A 100 -4.449 -10.735 -2.457 1.00 0.00 O ATOM 373 CB LYS A 100 -5.095 -13.340 -1.897 1.00 0.00 C ATOM 374 CG LYS A 100 -5.189 -14.750 -1.339 1.00 0.00 C ATOM 375 CD LYS A 100 -4.712 -15.782 -2.348 1.00 0.00 C ATOM 376 CE LYS A 100 -5.880 -16.436 -3.068 1.00 0.00 C ATOM 377 NZ LYS A 100 -6.635 -17.360 -2.177 1.00 0.00 N ATOM 0 H LYS A 100 -2.639 -13.529 -0.838 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.754 -13.384 -3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.275 -12.627 -1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.885 -13.196 -2.634 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.590 -14.824 -0.431 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.221 -14.963 -1.059 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.055 -15.305 -3.076 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.123 -16.545 -1.839 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.552 -15.665 -3.444 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.511 -16.987 -3.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.213 -18.004 -2.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.966 -17.914 -1.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.254 -16.808 -1.549 1.00 0.00 H new ATOM 391 N ALA A 101 -2.243 -11.129 -2.665 1.00 0.00 N ATOM 392 CA ALA A 101 -1.882 -9.718 -2.684 1.00 0.00 C ATOM 393 C ALA A 101 -2.273 -9.033 -1.378 1.00 0.00 C ATOM 394 O ALA A 101 -2.794 -9.671 -0.464 1.00 0.00 O ATOM 395 CB ALA A 101 -2.540 -9.022 -3.866 1.00 0.00 C ATOM 0 H ALA A 101 -1.452 -11.768 -2.745 1.00 0.00 H new ATOM 0 HA ALA A 101 -0.800 -9.646 -2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.262 -7.968 -3.868 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.207 -9.487 -4.794 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.623 -9.111 -3.784 1.00 0.00 H new ATOM 401 N PHE A 102 -2.018 -7.732 -1.299 1.00 0.00 N ATOM 402 CA PHE A 102 -2.343 -6.961 -0.104 1.00 0.00 C ATOM 403 C PHE A 102 -3.589 -6.109 -0.329 1.00 0.00 C ATOM 404 O PHE A 102 -4.408 -5.939 0.574 1.00 0.00 O ATOM 405 CB PHE A 102 -1.165 -6.069 0.289 1.00 0.00 C ATOM 406 CG PHE A 102 -0.444 -6.535 1.522 1.00 0.00 C ATOM 407 CD1 PHE A 102 -1.154 -6.909 2.659 1.00 0.00 C ATOM 408 CD2 PHE A 102 0.946 -6.604 1.546 1.00 0.00 C ATOM 409 CE1 PHE A 102 -0.492 -7.342 3.796 1.00 0.00 C ATOM 410 CE2 PHE A 102 1.612 -7.036 2.682 1.00 0.00 C ATOM 411 CZ PHE A 102 0.893 -7.405 3.807 1.00 0.00 C ATOM 0 H PHE A 102 -1.588 -7.189 -2.047 1.00 0.00 H new ATOM 0 HA PHE A 102 -2.545 -7.661 0.706 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.459 -6.027 -0.541 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.527 -5.054 0.452 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -2.233 -6.861 2.655 1.00 0.00 H new ATOM 0 HD2 PHE A 102 1.511 -6.318 0.671 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -1.054 -7.630 4.672 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.691 -7.085 2.690 1.00 0.00 H new ATOM 0 HZ PHE A 102 1.411 -7.742 4.693 1.00 0.00 H new ATOM 421 N ILE A 103 -3.723 -5.578 -1.538 1.00 0.00 N ATOM 422 CA ILE A 103 -4.868 -4.744 -1.883 1.00 0.00 C ATOM 423 C ILE A 103 -4.804 -4.299 -3.339 1.00 0.00 C ATOM 424 O ILE A 103 -3.723 -4.083 -3.886 1.00 0.00 O ATOM 425 CB ILE A 103 -4.949 -3.499 -0.980 1.00 0.00 C ATOM 426 CG1 ILE A 103 -3.547 -3.046 -0.574 1.00 0.00 C ATOM 427 CG2 ILE A 103 -5.797 -3.791 0.250 1.00 0.00 C ATOM 428 CD1 ILE A 103 -3.324 -1.561 -0.745 1.00 0.00 C ATOM 0 H ILE A 103 -3.053 -5.710 -2.296 1.00 0.00 H new ATOM 0 HA ILE A 103 -5.760 -5.352 -1.730 1.00 0.00 H new ATOM 0 HB ILE A 103 -5.423 -2.692 -1.539 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -3.374 -3.314 0.468 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.812 -3.587 -1.169 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -5.845 -2.902 0.878 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -6.804 -4.071 -0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -5.350 -4.610 0.814 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.309 -1.308 -0.439 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -3.465 -1.290 -1.791 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -4.036 -1.013 -0.129 1.00 0.00 H new ATOM 440 N GLU A 104 -5.970 -4.164 -3.963 1.00 0.00 N ATOM 441 CA GLU A 104 -6.044 -3.746 -5.358 1.00 0.00 C ATOM 442 C GLU A 104 -7.296 -2.910 -5.609 1.00 0.00 C ATOM 443 O GLU A 104 -8.233 -2.924 -4.811 1.00 0.00 O ATOM 444 CB GLU A 104 -6.039 -4.967 -6.279 1.00 0.00 C ATOM 445 CG GLU A 104 -7.416 -5.574 -6.495 1.00 0.00 C ATOM 446 CD GLU A 104 -7.405 -6.695 -7.515 1.00 0.00 C ATOM 447 OE1 GLU A 104 -6.566 -7.611 -7.383 1.00 0.00 O ATOM 448 OE2 GLU A 104 -8.237 -6.657 -8.446 1.00 0.00 O ATOM 0 H GLU A 104 -6.875 -4.338 -3.525 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.169 -3.133 -5.575 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.622 -4.681 -7.245 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.379 -5.726 -5.859 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.794 -5.955 -5.546 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.105 -4.796 -6.823 1.00 0.00 H new ATOM 455 N VAL A 105 -7.302 -2.183 -6.721 1.00 0.00 N ATOM 456 CA VAL A 105 -8.436 -1.341 -7.078 1.00 0.00 C ATOM 457 C VAL A 105 -9.755 -2.079 -6.878 1.00 0.00 C ATOM 458 O VAL A 105 -9.894 -3.240 -7.267 1.00 0.00 O ATOM 459 CB VAL A 105 -8.344 -0.866 -8.539 1.00 0.00 C ATOM 460 CG1 VAL A 105 -9.380 0.214 -8.815 1.00 0.00 C ATOM 461 CG2 VAL A 105 -6.943 -0.366 -8.850 1.00 0.00 C ATOM 0 H VAL A 105 -6.533 -2.160 -7.391 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.405 -0.474 -6.418 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.554 -1.713 -9.192 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.300 0.538 -9.853 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.378 -0.185 -8.635 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.204 1.064 -8.155 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.897 -0.034 -9.887 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -6.700 0.468 -8.191 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.226 -1.172 -8.695 1.00 0.00 H new ATOM 471 N GLY A 106 -10.722 -1.399 -6.270 1.00 0.00 N ATOM 472 CA GLY A 106 -12.017 -2.005 -6.030 1.00 0.00 C ATOM 473 C GLY A 106 -12.122 -2.625 -4.650 1.00 0.00 C ATOM 474 O GLY A 106 -13.212 -2.984 -4.205 1.00 0.00 O ATOM 0 H GLY A 106 -10.631 -0.438 -5.939 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -12.795 -1.250 -6.146 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.201 -2.771 -6.784 1.00 0.00 H new ATOM 478 N GLN A 107 -10.986 -2.750 -3.973 1.00 0.00 N ATOM 479 CA GLN A 107 -10.954 -3.331 -2.635 1.00 0.00 C ATOM 480 C GLN A 107 -11.445 -2.329 -1.595 1.00 0.00 C ATOM 481 O GLN A 107 -10.680 -1.494 -1.113 1.00 0.00 O ATOM 482 CB GLN A 107 -9.536 -3.790 -2.290 1.00 0.00 C ATOM 483 CG GLN A 107 -9.475 -4.728 -1.096 1.00 0.00 C ATOM 484 CD GLN A 107 -10.000 -6.114 -1.417 1.00 0.00 C ATOM 485 OE1 GLN A 107 -11.154 -6.279 -1.810 1.00 0.00 O ATOM 486 NE2 GLN A 107 -9.150 -7.122 -1.248 1.00 0.00 N ATOM 0 H GLN A 107 -10.076 -2.457 -4.328 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.620 -4.194 -2.624 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.104 -4.290 -3.157 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.919 -2.915 -2.086 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.444 -4.805 -0.751 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -10.055 -4.305 -0.276 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -8.202 -6.940 -0.920 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -9.446 -8.078 -1.446 1.00 0.00 H new ATOM 495 N LYS A 108 -12.727 -2.419 -1.256 1.00 0.00 N ATOM 496 CA LYS A 108 -13.322 -1.522 -0.273 1.00 0.00 C ATOM 497 C LYS A 108 -12.697 -1.728 1.102 1.00 0.00 C ATOM 498 O LYS A 108 -13.315 -2.309 1.994 1.00 0.00 O ATOM 499 CB LYS A 108 -14.833 -1.746 -0.198 1.00 0.00 C ATOM 500 CG LYS A 108 -15.527 -1.676 -1.549 1.00 0.00 C ATOM 501 CD LYS A 108 -17.023 -1.450 -1.395 1.00 0.00 C ATOM 502 CE LYS A 108 -17.785 -2.764 -1.370 1.00 0.00 C ATOM 503 NZ LYS A 108 -18.655 -2.879 -0.167 1.00 0.00 N ATOM 0 H LYS A 108 -13.373 -3.104 -1.648 1.00 0.00 H new ATOM 0 HA LYS A 108 -13.128 -0.497 -0.589 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.025 -2.721 0.250 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.270 -0.999 0.465 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -15.095 -0.869 -2.140 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -15.352 -2.601 -2.098 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -17.216 -0.899 -0.475 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -17.385 -0.834 -2.218 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -18.396 -2.846 -2.269 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -17.078 -3.594 -1.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -19.157 -3.789 -0.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -18.070 -2.826 0.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -19.346 -2.102 -0.163 1.00 0.00 H new ATOM 517 N VAL A 109 -11.470 -1.246 1.269 1.00 0.00 N ATOM 518 CA VAL A 109 -10.765 -1.378 2.538 1.00 0.00 C ATOM 519 C VAL A 109 -11.594 -0.813 3.685 1.00 0.00 C ATOM 520 O VAL A 109 -12.594 -0.130 3.463 1.00 0.00 O ATOM 521 CB VAL A 109 -9.402 -0.661 2.503 1.00 0.00 C ATOM 522 CG1 VAL A 109 -8.560 -1.166 1.342 1.00 0.00 C ATOM 523 CG2 VAL A 109 -9.594 0.846 2.416 1.00 0.00 C ATOM 0 H VAL A 109 -10.944 -0.761 0.542 1.00 0.00 H new ATOM 0 HA VAL A 109 -10.601 -2.443 2.700 1.00 0.00 H new ATOM 0 HB VAL A 109 -8.872 -0.885 3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.601 -0.647 1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.392 -2.237 1.453 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -9.082 -0.976 0.404 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.621 1.336 2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -10.146 1.091 1.508 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -10.153 1.192 3.285 1.00 0.00 H new ATOM 533 N ASN A 110 -11.171 -1.099 4.912 1.00 0.00 N ATOM 534 CA ASN A 110 -11.872 -0.622 6.090 1.00 0.00 C ATOM 535 C ASN A 110 -10.944 -0.588 7.295 1.00 0.00 C ATOM 536 O ASN A 110 -10.240 -1.556 7.585 1.00 0.00 O ATOM 537 CB ASN A 110 -13.080 -1.505 6.389 1.00 0.00 C ATOM 538 CG ASN A 110 -12.704 -2.770 7.133 1.00 0.00 C ATOM 539 OD1 ASN A 110 -12.006 -3.634 6.602 1.00 0.00 O ATOM 540 ND2 ASN A 110 -13.167 -2.887 8.373 1.00 0.00 N ATOM 0 H ASN A 110 -10.343 -1.661 5.113 1.00 0.00 H new ATOM 0 HA ASN A 110 -12.217 0.392 5.888 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -13.801 -0.941 6.980 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -13.573 -1.770 5.454 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -12.947 -3.717 8.923 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -13.742 -2.147 8.775 1.00 0.00 H new ATOM 547 N VAL A 111 -10.953 0.537 7.990 1.00 0.00 N ATOM 548 CA VAL A 111 -10.118 0.721 9.171 1.00 0.00 C ATOM 549 C VAL A 111 -9.971 -0.582 9.947 1.00 0.00 C ATOM 550 O VAL A 111 -10.944 -1.309 10.150 1.00 0.00 O ATOM 551 CB VAL A 111 -10.697 1.801 10.105 1.00 0.00 C ATOM 552 CG1 VAL A 111 -9.735 2.094 11.246 1.00 0.00 C ATOM 553 CG2 VAL A 111 -11.011 3.068 9.324 1.00 0.00 C ATOM 0 H VAL A 111 -11.533 1.343 7.757 1.00 0.00 H new ATOM 0 HA VAL A 111 -9.138 1.044 8.820 1.00 0.00 H new ATOM 0 HB VAL A 111 -11.626 1.425 10.533 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -10.162 2.859 11.894 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -9.565 1.184 11.822 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -8.787 2.449 10.841 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -11.419 3.820 9.999 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -10.098 3.449 8.866 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -11.741 2.844 8.546 1.00 0.00 H new ATOM 563 N GLY A 112 -8.748 -0.874 10.377 1.00 0.00 N ATOM 564 CA GLY A 112 -8.495 -2.092 11.123 1.00 0.00 C ATOM 565 C GLY A 112 -8.210 -3.274 10.217 1.00 0.00 C ATOM 566 O GLY A 112 -8.188 -4.420 10.665 1.00 0.00 O ATOM 0 H GLY A 112 -7.927 -0.288 10.222 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.648 -1.937 11.791 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -9.358 -2.317 11.750 1.00 0.00 H new ATOM 570 N ASP A 113 -7.991 -2.992 8.936 1.00 0.00 N ATOM 571 CA ASP A 113 -7.703 -4.036 7.960 1.00 0.00 C ATOM 572 C ASP A 113 -6.393 -3.754 7.234 1.00 0.00 C ATOM 573 O ASP A 113 -6.338 -2.912 6.338 1.00 0.00 O ATOM 574 CB ASP A 113 -8.846 -4.148 6.949 1.00 0.00 C ATOM 575 CG ASP A 113 -8.784 -5.434 6.148 1.00 0.00 C ATOM 576 OD1 ASP A 113 -8.713 -6.516 6.768 1.00 0.00 O ATOM 577 OD2 ASP A 113 -8.805 -5.359 4.902 1.00 0.00 O ATOM 0 H ASP A 113 -8.008 -2.048 8.550 1.00 0.00 H new ATOM 0 HA ASP A 113 -7.606 -4.981 8.494 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -9.799 -4.096 7.475 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -8.811 -3.297 6.269 1.00 0.00 H new ATOM 582 N THR A 114 -5.340 -4.462 7.629 1.00 0.00 N ATOM 583 CA THR A 114 -4.028 -4.288 7.017 1.00 0.00 C ATOM 584 C THR A 114 -4.151 -3.995 5.525 1.00 0.00 C ATOM 585 O THR A 114 -4.570 -4.851 4.747 1.00 0.00 O ATOM 586 CB THR A 114 -3.172 -5.538 7.231 1.00 0.00 C ATOM 587 OG1 THR A 114 -3.428 -6.110 8.501 1.00 0.00 O ATOM 588 CG2 THR A 114 -1.686 -5.268 7.139 1.00 0.00 C ATOM 0 H THR A 114 -5.370 -5.162 8.370 1.00 0.00 H new ATOM 0 HA THR A 114 -3.546 -3.436 7.496 1.00 0.00 H new ATOM 0 HB THR A 114 -3.451 -6.220 6.428 1.00 0.00 H new ATOM 0 HG1 THR A 114 -2.872 -6.909 8.618 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.137 -6.196 7.300 1.00 0.00 H new ATOM 0 HG22 THR A 114 -1.448 -4.873 6.151 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.401 -4.541 7.899 1.00 0.00 H new ATOM 596 N LEU A 115 -3.776 -2.781 5.133 1.00 0.00 N ATOM 597 CA LEU A 115 -3.839 -2.377 3.733 1.00 0.00 C ATOM 598 C LEU A 115 -2.790 -3.118 2.912 1.00 0.00 C ATOM 599 O LEU A 115 -3.061 -4.177 2.346 1.00 0.00 O ATOM 600 CB LEU A 115 -3.625 -0.867 3.605 1.00 0.00 C ATOM 601 CG LEU A 115 -4.875 -0.013 3.814 1.00 0.00 C ATOM 602 CD1 LEU A 115 -4.506 1.460 3.887 1.00 0.00 C ATOM 603 CD2 LEU A 115 -5.880 -0.259 2.699 1.00 0.00 C ATOM 0 H LEU A 115 -3.426 -2.061 5.765 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.827 -2.631 3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -2.870 -0.561 4.329 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.222 -0.656 2.615 1.00 0.00 H new ATOM 0 HG LEU A 115 -5.335 -0.299 4.760 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -5.408 2.054 4.036 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -3.822 1.623 4.720 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.023 1.761 2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.764 0.357 2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -5.431 -0.000 1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.167 -1.311 2.693 1.00 0.00 H new ATOM 615 N CYS A 116 -1.589 -2.554 2.857 1.00 0.00 N ATOM 616 CA CYS A 116 -0.491 -3.157 2.113 1.00 0.00 C ATOM 617 C CYS A 116 0.796 -3.121 2.929 1.00 0.00 C ATOM 618 O CYS A 116 0.772 -2.859 4.131 1.00 0.00 O ATOM 619 CB CYS A 116 -0.286 -2.430 0.782 1.00 0.00 C ATOM 620 SG CYS A 116 0.631 -0.877 0.923 1.00 0.00 S ATOM 0 H CYS A 116 -1.351 -1.677 3.321 1.00 0.00 H new ATOM 0 HA CYS A 116 -0.747 -4.197 1.912 1.00 0.00 H new ATOM 0 HB2 CYS A 116 0.244 -3.092 0.097 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -1.260 -2.225 0.338 1.00 0.00 H new ATOM 0 HG CYS A 116 0.978 -0.469 -0.261 1.00 0.00 H new ATOM 626 N ILE A 117 1.917 -3.382 2.268 1.00 0.00 N ATOM 627 CA ILE A 117 3.213 -3.377 2.933 1.00 0.00 C ATOM 628 C ILE A 117 4.188 -2.455 2.203 1.00 0.00 C ATOM 629 O ILE A 117 4.059 -2.219 1.002 1.00 0.00 O ATOM 630 CB ILE A 117 3.795 -4.813 3.032 1.00 0.00 C ATOM 631 CG1 ILE A 117 3.384 -5.458 4.357 1.00 0.00 C ATOM 632 CG2 ILE A 117 5.314 -4.824 2.894 1.00 0.00 C ATOM 633 CD1 ILE A 117 4.024 -6.809 4.594 1.00 0.00 C ATOM 0 H ILE A 117 1.954 -3.600 1.272 1.00 0.00 H new ATOM 0 HA ILE A 117 3.070 -2.999 3.945 1.00 0.00 H new ATOM 0 HB ILE A 117 3.385 -5.390 2.203 1.00 0.00 H new ATOM 0 HG12 ILE A 117 3.651 -4.790 5.176 1.00 0.00 H new ATOM 0 HG13 ILE A 117 2.300 -5.570 4.377 1.00 0.00 H new ATOM 0 HG21 ILE A 117 5.679 -5.848 2.969 1.00 0.00 H new ATOM 0 HG22 ILE A 117 5.594 -4.409 1.926 1.00 0.00 H new ATOM 0 HG23 ILE A 117 5.756 -4.222 3.688 1.00 0.00 H new ATOM 0 HD11 ILE A 117 3.688 -7.208 5.551 1.00 0.00 H new ATOM 0 HD12 ILE A 117 3.737 -7.493 3.795 1.00 0.00 H new ATOM 0 HD13 ILE A 117 5.109 -6.701 4.606 1.00 0.00 H new ATOM 645 N VAL A 118 5.163 -1.940 2.942 1.00 0.00 N ATOM 646 CA VAL A 118 6.164 -1.046 2.375 1.00 0.00 C ATOM 647 C VAL A 118 7.543 -1.330 2.960 1.00 0.00 C ATOM 648 O VAL A 118 7.839 -0.949 4.093 1.00 0.00 O ATOM 649 CB VAL A 118 5.807 0.432 2.626 1.00 0.00 C ATOM 650 CG1 VAL A 118 6.819 1.350 1.958 1.00 0.00 C ATOM 651 CG2 VAL A 118 4.399 0.732 2.134 1.00 0.00 C ATOM 0 H VAL A 118 5.282 -2.127 3.938 1.00 0.00 H new ATOM 0 HA VAL A 118 6.180 -1.229 1.301 1.00 0.00 H new ATOM 0 HB VAL A 118 5.840 0.616 3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 118 6.549 2.389 2.147 1.00 0.00 H new ATOM 0 HG12 VAL A 118 7.812 1.154 2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 118 6.823 1.166 0.884 1.00 0.00 H new ATOM 0 HG21 VAL A 118 4.164 1.780 2.320 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.336 0.530 1.065 1.00 0.00 H new ATOM 0 HG23 VAL A 118 3.686 0.101 2.665 1.00 0.00 H new ATOM 661 N GLU A 119 8.382 -2.008 2.183 1.00 0.00 N ATOM 662 CA GLU A 119 9.728 -2.348 2.626 1.00 0.00 C ATOM 663 C GLU A 119 10.551 -1.092 2.898 1.00 0.00 C ATOM 664 O GLU A 119 11.487 -0.780 2.162 1.00 0.00 O ATOM 665 CB GLU A 119 10.429 -3.215 1.580 1.00 0.00 C ATOM 666 CG GLU A 119 10.781 -4.605 2.084 1.00 0.00 C ATOM 667 CD GLU A 119 12.031 -5.163 1.431 1.00 0.00 C ATOM 668 OE1 GLU A 119 12.747 -4.390 0.762 1.00 0.00 O ATOM 669 OE2 GLU A 119 12.291 -6.374 1.588 1.00 0.00 O ATOM 0 H GLU A 119 8.153 -2.332 1.244 1.00 0.00 H new ATOM 0 HA GLU A 119 9.643 -2.910 3.556 1.00 0.00 H new ATOM 0 HB2 GLU A 119 9.786 -3.306 0.705 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.340 -2.713 1.255 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.924 -4.570 3.164 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.945 -5.279 1.895 1.00 0.00 H new ATOM 676 N ALA A 120 10.197 -0.378 3.962 1.00 0.00 N ATOM 677 CA ALA A 120 10.903 0.841 4.335 1.00 0.00 C ATOM 678 C ALA A 120 12.013 0.542 5.336 1.00 0.00 C ATOM 679 O ALA A 120 11.876 -0.341 6.182 1.00 0.00 O ATOM 680 CB ALA A 120 9.931 1.860 4.911 1.00 0.00 C ATOM 0 H ALA A 120 9.425 -0.624 4.581 1.00 0.00 H new ATOM 0 HA ALA A 120 11.358 1.259 3.437 1.00 0.00 H new ATOM 0 HB1 ALA A 120 10.473 2.765 5.185 1.00 0.00 H new ATOM 0 HB2 ALA A 120 9.174 2.102 4.166 1.00 0.00 H new ATOM 0 HB3 ALA A 120 9.449 1.444 5.796 1.00 0.00 H new ATOM 686 N MET A 121 13.113 1.281 5.235 1.00 0.00 N ATOM 687 CA MET A 121 14.245 1.088 6.134 1.00 0.00 C ATOM 688 C MET A 121 14.667 -0.377 6.164 1.00 0.00 C ATOM 689 O MET A 121 15.317 -0.828 7.107 1.00 0.00 O ATOM 690 CB MET A 121 13.888 1.557 7.547 1.00 0.00 C ATOM 691 CG MET A 121 13.005 0.581 8.308 1.00 0.00 C ATOM 692 SD MET A 121 13.095 0.815 10.094 1.00 0.00 S ATOM 693 CE MET A 121 11.996 2.213 10.307 1.00 0.00 C ATOM 0 H MET A 121 13.245 2.017 4.541 1.00 0.00 H new ATOM 0 HA MET A 121 15.080 1.683 5.762 1.00 0.00 H new ATOM 0 HB2 MET A 121 14.807 1.718 8.110 1.00 0.00 H new ATOM 0 HB3 MET A 121 13.381 2.520 7.484 1.00 0.00 H new ATOM 0 HG2 MET A 121 11.972 0.700 7.981 1.00 0.00 H new ATOM 0 HG3 MET A 121 13.302 -0.439 8.063 1.00 0.00 H new ATOM 0 HE1 MET A 121 11.946 2.479 11.363 1.00 0.00 H new ATOM 0 HE2 MET A 121 12.373 3.062 9.736 1.00 0.00 H new ATOM 0 HE3 MET A 121 11.000 1.950 9.951 1.00 0.00 H new ATOM 703 N LYS A 122 14.291 -1.113 5.126 1.00 0.00 N ATOM 704 CA LYS A 122 14.625 -2.528 5.029 1.00 0.00 C ATOM 705 C LYS A 122 13.671 -3.370 5.868 1.00 0.00 C ATOM 706 O LYS A 122 14.100 -4.184 6.685 1.00 0.00 O ATOM 707 CB LYS A 122 16.066 -2.768 5.484 1.00 0.00 C ATOM 708 CG LYS A 122 16.691 -4.019 4.887 1.00 0.00 C ATOM 709 CD LYS A 122 15.750 -5.211 4.977 1.00 0.00 C ATOM 710 CE LYS A 122 16.304 -6.414 4.231 1.00 0.00 C ATOM 711 NZ LYS A 122 15.519 -7.620 4.477 1.00 0.00 N ATOM 0 H LYS A 122 13.753 -0.752 4.338 1.00 0.00 H new ATOM 0 HA LYS A 122 14.526 -2.827 3.985 1.00 0.00 H new ATOM 0 HB2 LYS A 122 16.673 -1.904 5.213 1.00 0.00 H new ATOM 0 HB3 LYS A 122 16.087 -2.844 6.571 1.00 0.00 H new ATOM 0 HG2 LYS A 122 16.949 -3.836 3.844 1.00 0.00 H new ATOM 0 HG3 LYS A 122 17.620 -4.247 5.409 1.00 0.00 H new ATOM 0 HD2 LYS A 122 15.590 -5.472 6.023 1.00 0.00 H new ATOM 0 HD3 LYS A 122 14.778 -4.941 4.564 1.00 0.00 H new ATOM 0 HE2 LYS A 122 16.318 -6.202 3.162 1.00 0.00 H new ATOM 0 HE3 LYS A 122 17.336 -6.585 4.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 15.931 -8.416 3.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 15.526 -7.838 5.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 14.539 -7.467 4.163 1.00 0.00 H new ATOM 722 N MET A 123 12.375 -3.171 5.658 1.00 0.00 N ATOM 723 CA MET A 123 11.361 -3.917 6.394 1.00 0.00 C ATOM 724 C MET A 123 9.970 -3.649 5.835 1.00 0.00 C ATOM 725 O MET A 123 9.592 -2.502 5.598 1.00 0.00 O ATOM 726 CB MET A 123 11.403 -3.557 7.879 1.00 0.00 C ATOM 727 CG MET A 123 10.686 -2.259 8.212 1.00 0.00 C ATOM 728 SD MET A 123 8.982 -2.521 8.740 1.00 0.00 S ATOM 729 CE MET A 123 9.110 -2.158 10.490 1.00 0.00 C ATOM 0 H MET A 123 12.002 -2.501 4.986 1.00 0.00 H new ATOM 0 HA MET A 123 11.580 -4.979 6.279 1.00 0.00 H new ATOM 0 HB2 MET A 123 10.954 -4.368 8.453 1.00 0.00 H new ATOM 0 HB3 MET A 123 12.443 -3.479 8.196 1.00 0.00 H new ATOM 0 HG2 MET A 123 11.231 -1.740 9.001 1.00 0.00 H new ATOM 0 HG3 MET A 123 10.695 -1.609 7.337 1.00 0.00 H new ATOM 0 HE1 MET A 123 8.133 -2.276 10.959 1.00 0.00 H new ATOM 0 HE2 MET A 123 9.820 -2.844 10.953 1.00 0.00 H new ATOM 0 HE3 MET A 123 9.455 -1.133 10.625 1.00 0.00 H new ATOM 739 N MET A 124 9.213 -4.720 5.629 1.00 0.00 N ATOM 740 CA MET A 124 7.860 -4.614 5.099 1.00 0.00 C ATOM 741 C MET A 124 6.933 -3.935 6.102 1.00 0.00 C ATOM 742 O MET A 124 6.414 -4.578 7.015 1.00 0.00 O ATOM 743 CB MET A 124 7.322 -6.002 4.749 1.00 0.00 C ATOM 744 CG MET A 124 7.827 -6.532 3.417 1.00 0.00 C ATOM 745 SD MET A 124 7.078 -8.108 2.966 1.00 0.00 S ATOM 746 CE MET A 124 8.152 -8.623 1.629 1.00 0.00 C ATOM 0 H MET A 124 9.515 -5.675 5.822 1.00 0.00 H new ATOM 0 HA MET A 124 7.895 -4.004 4.196 1.00 0.00 H new ATOM 0 HB2 MET A 124 7.601 -6.700 5.538 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.233 -5.965 4.727 1.00 0.00 H new ATOM 0 HG2 MET A 124 7.619 -5.799 2.637 1.00 0.00 H new ATOM 0 HG3 MET A 124 8.910 -6.649 3.464 1.00 0.00 H new ATOM 0 HE1 MET A 124 7.817 -9.586 1.243 1.00 0.00 H new ATOM 0 HE2 MET A 124 8.121 -7.881 0.831 1.00 0.00 H new ATOM 0 HE3 MET A 124 9.173 -8.716 1.998 1.00 0.00 H new ATOM 756 N ASN A 125 6.729 -2.635 5.925 1.00 0.00 N ATOM 757 CA ASN A 125 5.864 -1.870 6.816 1.00 0.00 C ATOM 758 C ASN A 125 4.396 -2.087 6.463 1.00 0.00 C ATOM 759 O ASN A 125 3.789 -1.275 5.764 1.00 0.00 O ATOM 760 CB ASN A 125 6.204 -0.382 6.741 1.00 0.00 C ATOM 761 CG ASN A 125 5.909 0.343 8.039 1.00 0.00 C ATOM 762 OD1 ASN A 125 4.775 0.346 8.517 1.00 0.00 O ATOM 763 ND2 ASN A 125 6.931 0.965 8.616 1.00 0.00 N ATOM 0 H ASN A 125 7.150 -2.089 5.174 1.00 0.00 H new ATOM 0 HA ASN A 125 6.032 -2.221 7.834 1.00 0.00 H new ATOM 0 HB2 ASN A 125 7.259 -0.265 6.494 1.00 0.00 H new ATOM 0 HB3 ASN A 125 5.635 0.078 5.933 1.00 0.00 H new ATOM 0 HD21 ASN A 125 6.792 1.471 9.491 1.00 0.00 H new ATOM 0 HD22 ASN A 125 7.855 0.936 8.185 1.00 0.00 H new ATOM 770 N GLN A 126 3.831 -3.187 6.949 1.00 0.00 N ATOM 771 CA GLN A 126 2.435 -3.510 6.686 1.00 0.00 C ATOM 772 C GLN A 126 1.518 -2.396 7.178 1.00 0.00 C ATOM 773 O GLN A 126 1.329 -2.220 8.382 1.00 0.00 O ATOM 774 CB GLN A 126 2.061 -4.832 7.358 1.00 0.00 C ATOM 775 CG GLN A 126 1.937 -4.731 8.870 1.00 0.00 C ATOM 776 CD GLN A 126 2.393 -5.991 9.577 1.00 0.00 C ATOM 777 OE1 GLN A 126 3.398 -6.596 9.206 1.00 0.00 O ATOM 778 NE2 GLN A 126 1.653 -6.393 10.605 1.00 0.00 N ATOM 0 H GLN A 126 4.320 -3.870 7.528 1.00 0.00 H new ATOM 0 HA GLN A 126 2.307 -3.611 5.608 1.00 0.00 H new ATOM 0 HB2 GLN A 126 1.115 -5.184 6.947 1.00 0.00 H new ATOM 0 HB3 GLN A 126 2.814 -5.581 7.113 1.00 0.00 H new ATOM 0 HG2 GLN A 126 2.528 -3.886 9.224 1.00 0.00 H new ATOM 0 HG3 GLN A 126 0.899 -4.526 9.133 1.00 0.00 H new ATOM 0 HE21 GLN A 126 0.827 -5.860 10.878 1.00 0.00 H new ATOM 0 HE22 GLN A 126 1.911 -7.234 11.121 1.00 0.00 H new ATOM 787 N ILE A 127 0.950 -1.647 6.240 1.00 0.00 N ATOM 788 CA ILE A 127 0.053 -0.549 6.577 1.00 0.00 C ATOM 789 C ILE A 127 -1.309 -1.068 7.022 1.00 0.00 C ATOM 790 O ILE A 127 -1.658 -2.221 6.770 1.00 0.00 O ATOM 791 CB ILE A 127 -0.138 0.408 5.386 1.00 0.00 C ATOM 792 CG1 ILE A 127 1.180 0.593 4.634 1.00 0.00 C ATOM 793 CG2 ILE A 127 -0.673 1.749 5.867 1.00 0.00 C ATOM 794 CD1 ILE A 127 2.308 1.095 5.510 1.00 0.00 C ATOM 0 H ILE A 127 1.095 -1.781 5.239 1.00 0.00 H new ATOM 0 HA ILE A 127 0.517 -0.004 7.399 1.00 0.00 H new ATOM 0 HB ILE A 127 -0.865 -0.028 4.701 1.00 0.00 H new ATOM 0 HG12 ILE A 127 1.472 -0.358 4.188 1.00 0.00 H new ATOM 0 HG13 ILE A 127 1.026 1.295 3.815 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.803 2.416 5.015 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -1.633 1.601 6.362 1.00 0.00 H new ATOM 0 HG23 ILE A 127 0.033 2.192 6.569 1.00 0.00 H new ATOM 0 HD11 ILE A 127 3.213 1.203 4.912 1.00 0.00 H new ATOM 0 HD12 ILE A 127 2.036 2.061 5.935 1.00 0.00 H new ATOM 0 HD13 ILE A 127 2.488 0.382 6.315 1.00 0.00 H new ATOM 806 N GLU A 128 -2.075 -0.209 7.686 1.00 0.00 N ATOM 807 CA GLU A 128 -3.401 -0.579 8.168 1.00 0.00 C ATOM 808 C GLU A 128 -4.437 0.461 7.758 1.00 0.00 C ATOM 809 O GLU A 128 -4.169 1.663 7.777 1.00 0.00 O ATOM 810 CB GLU A 128 -3.388 -0.730 9.690 1.00 0.00 C ATOM 811 CG GLU A 128 -4.655 -1.356 10.250 1.00 0.00 C ATOM 812 CD GLU A 128 -4.368 -2.514 11.187 1.00 0.00 C ATOM 813 OE1 GLU A 128 -3.263 -3.090 11.097 1.00 0.00 O ATOM 814 OE2 GLU A 128 -5.248 -2.844 12.008 1.00 0.00 O ATOM 0 H GLU A 128 -1.800 0.749 7.903 1.00 0.00 H new ATOM 0 HA GLU A 128 -3.672 -1.534 7.717 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -2.533 -1.341 9.979 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -3.247 0.251 10.143 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -5.227 -0.596 10.782 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -5.278 -1.705 9.427 1.00 0.00 H new ATOM 821 N ALA A 129 -5.625 -0.007 7.388 1.00 0.00 N ATOM 822 CA ALA A 129 -6.702 0.884 6.975 1.00 0.00 C ATOM 823 C ALA A 129 -6.846 2.053 7.944 1.00 0.00 C ATOM 824 O ALA A 129 -7.213 1.868 9.105 1.00 0.00 O ATOM 825 CB ALA A 129 -8.012 0.116 6.873 1.00 0.00 C ATOM 0 H ALA A 129 -5.865 -0.998 7.366 1.00 0.00 H new ATOM 0 HA ALA A 129 -6.453 1.287 5.993 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -8.808 0.794 6.564 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -7.909 -0.683 6.138 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -8.258 -0.314 7.844 1.00 0.00 H new ATOM 831 N ASP A 130 -6.554 3.257 7.460 1.00 0.00 N ATOM 832 CA ASP A 130 -6.650 4.457 8.284 1.00 0.00 C ATOM 833 C ASP A 130 -7.935 5.222 7.985 1.00 0.00 C ATOM 834 O ASP A 130 -8.107 6.359 8.424 1.00 0.00 O ATOM 835 CB ASP A 130 -5.439 5.360 8.048 1.00 0.00 C ATOM 836 CG ASP A 130 -4.887 5.231 6.642 1.00 0.00 C ATOM 837 OD1 ASP A 130 -5.656 4.853 5.734 1.00 0.00 O ATOM 838 OD2 ASP A 130 -3.683 5.506 6.448 1.00 0.00 O ATOM 0 H ASP A 130 -6.249 3.427 6.502 1.00 0.00 H new ATOM 0 HA ASP A 130 -6.667 4.149 9.329 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -5.721 6.397 8.231 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -4.658 5.111 8.766 1.00 0.00 H new ATOM 843 N LYS A 131 -8.834 4.592 7.237 1.00 0.00 N ATOM 844 CA LYS A 131 -10.103 5.215 6.880 1.00 0.00 C ATOM 845 C LYS A 131 -10.835 4.390 5.826 1.00 0.00 C ATOM 846 O LYS A 131 -10.343 4.214 4.711 1.00 0.00 O ATOM 847 CB LYS A 131 -9.870 6.635 6.361 1.00 0.00 C ATOM 848 CG LYS A 131 -11.050 7.202 5.589 1.00 0.00 C ATOM 849 CD LYS A 131 -10.664 8.459 4.828 1.00 0.00 C ATOM 850 CE LYS A 131 -11.892 9.209 4.337 1.00 0.00 C ATOM 851 NZ LYS A 131 -11.756 9.620 2.911 1.00 0.00 N ATOM 0 H LYS A 131 -8.707 3.650 6.866 1.00 0.00 H new ATOM 0 HA LYS A 131 -10.722 5.260 7.776 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -9.650 7.290 7.204 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -8.990 6.638 5.717 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -11.423 6.453 4.891 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -11.863 7.428 6.279 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -10.072 9.109 5.472 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -10.034 8.193 3.979 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -12.773 8.578 4.451 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -12.050 10.092 4.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -12.613 10.128 2.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -10.930 10.243 2.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -11.630 8.776 2.317 1.00 0.00 H new ATOM 865 N SER A 132 -12.011 3.888 6.185 1.00 0.00 N ATOM 866 CA SER A 132 -12.808 3.083 5.267 1.00 0.00 C ATOM 867 C SER A 132 -12.837 3.714 3.880 1.00 0.00 C ATOM 868 O SER A 132 -13.431 4.774 3.682 1.00 0.00 O ATOM 869 CB SER A 132 -14.233 2.920 5.798 1.00 0.00 C ATOM 870 OG SER A 132 -14.813 4.177 6.100 1.00 0.00 O ATOM 0 H SER A 132 -12.433 4.024 7.104 1.00 0.00 H new ATOM 0 HA SER A 132 -12.345 2.099 5.191 1.00 0.00 H new ATOM 0 HB2 SER A 132 -14.843 2.403 5.057 1.00 0.00 H new ATOM 0 HB3 SER A 132 -14.222 2.297 6.692 1.00 0.00 H new ATOM 0 HG SER A 132 -14.563 4.827 5.410 1.00 0.00 H new ATOM 876 N GLY A 133 -12.189 3.058 2.923 1.00 0.00 N ATOM 877 CA GLY A 133 -12.150 3.574 1.569 1.00 0.00 C ATOM 878 C GLY A 133 -12.149 2.473 0.527 1.00 0.00 C ATOM 879 O GLY A 133 -12.265 1.295 0.858 1.00 0.00 O ATOM 0 H GLY A 133 -11.691 2.179 3.062 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -13.011 4.223 1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -11.259 4.189 1.444 1.00 0.00 H new ATOM 883 N THR A 134 -12.020 2.863 -0.736 1.00 0.00 N ATOM 884 CA THR A 134 -12.008 1.907 -1.836 1.00 0.00 C ATOM 885 C THR A 134 -10.816 2.140 -2.756 1.00 0.00 C ATOM 886 O THR A 134 -10.775 3.125 -3.492 1.00 0.00 O ATOM 887 CB THR A 134 -13.299 2.023 -2.643 1.00 0.00 C ATOM 888 OG1 THR A 134 -14.430 1.991 -1.791 1.00 0.00 O ATOM 889 CG2 THR A 134 -13.463 0.924 -3.669 1.00 0.00 C ATOM 0 H THR A 134 -11.922 3.837 -1.024 1.00 0.00 H new ATOM 0 HA THR A 134 -11.927 0.907 -1.409 1.00 0.00 H new ATOM 0 HB THR A 134 -13.228 2.977 -3.165 1.00 0.00 H new ATOM 0 HG1 THR A 134 -15.246 2.068 -2.328 1.00 0.00 H new ATOM 0 HG21 THR A 134 -14.400 1.066 -4.207 1.00 0.00 H new ATOM 0 HG22 THR A 134 -12.632 0.957 -4.373 1.00 0.00 H new ATOM 0 HG23 THR A 134 -13.476 -0.043 -3.167 1.00 0.00 H new ATOM 897 N VAL A 135 -9.852 1.227 -2.724 1.00 0.00 N ATOM 898 CA VAL A 135 -8.674 1.348 -3.572 1.00 0.00 C ATOM 899 C VAL A 135 -9.075 1.773 -4.979 1.00 0.00 C ATOM 900 O VAL A 135 -10.120 1.364 -5.483 1.00 0.00 O ATOM 901 CB VAL A 135 -7.888 0.028 -3.650 1.00 0.00 C ATOM 902 CG1 VAL A 135 -6.723 0.158 -4.619 1.00 0.00 C ATOM 903 CG2 VAL A 135 -7.399 -0.384 -2.270 1.00 0.00 C ATOM 0 H VAL A 135 -9.863 0.402 -2.125 1.00 0.00 H new ATOM 0 HA VAL A 135 -8.032 2.106 -3.123 1.00 0.00 H new ATOM 0 HB VAL A 135 -8.555 -0.750 -4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -6.178 -0.785 -4.662 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -7.101 0.404 -5.611 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -6.054 0.949 -4.279 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -6.845 -1.320 -2.345 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -6.748 0.392 -1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -8.253 -0.520 -1.607 1.00 0.00 H new ATOM 913 N LYS A 136 -8.248 2.600 -5.606 1.00 0.00 N ATOM 914 CA LYS A 136 -8.534 3.079 -6.948 1.00 0.00 C ATOM 915 C LYS A 136 -7.393 2.754 -7.905 1.00 0.00 C ATOM 916 O LYS A 136 -7.573 2.763 -9.122 1.00 0.00 O ATOM 917 CB LYS A 136 -8.786 4.585 -6.919 1.00 0.00 C ATOM 918 CG LYS A 136 -9.979 4.981 -6.066 1.00 0.00 C ATOM 919 CD LYS A 136 -11.291 4.719 -6.789 1.00 0.00 C ATOM 920 CE LYS A 136 -12.031 6.014 -7.084 1.00 0.00 C ATOM 921 NZ LYS A 136 -11.880 6.428 -8.506 1.00 0.00 N ATOM 0 H LYS A 136 -7.377 2.951 -5.207 1.00 0.00 H new ATOM 0 HA LYS A 136 -9.428 2.571 -7.309 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -7.896 5.088 -6.541 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -8.944 4.939 -7.938 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -9.960 4.423 -5.130 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -9.909 6.038 -5.808 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -11.095 4.190 -7.722 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -11.920 4.069 -6.180 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -13.089 5.888 -6.853 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -11.654 6.804 -6.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -12.399 7.315 -8.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -10.873 6.573 -8.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -12.263 5.686 -9.126 1.00 0.00 H new ATOM 935 N ALA A 137 -6.218 2.469 -7.352 1.00 0.00 N ATOM 936 CA ALA A 137 -5.060 2.145 -8.172 1.00 0.00 C ATOM 937 C ALA A 137 -3.762 2.269 -7.383 1.00 0.00 C ATOM 938 O ALA A 137 -3.729 2.875 -6.311 1.00 0.00 O ATOM 939 CB ALA A 137 -5.026 3.053 -9.387 1.00 0.00 C ATOM 0 H ALA A 137 -6.045 2.456 -6.347 1.00 0.00 H new ATOM 0 HA ALA A 137 -5.150 1.108 -8.494 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -4.158 2.809 -10.000 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -5.935 2.912 -9.972 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -4.961 4.092 -9.063 1.00 0.00 H new ATOM 945 N ILE A 138 -2.693 1.695 -7.924 1.00 0.00 N ATOM 946 CA ILE A 138 -1.389 1.740 -7.281 1.00 0.00 C ATOM 947 C ILE A 138 -0.456 2.692 -8.021 1.00 0.00 C ATOM 948 O ILE A 138 0.289 2.279 -8.910 1.00 0.00 O ATOM 949 CB ILE A 138 -0.738 0.340 -7.218 1.00 0.00 C ATOM 950 CG1 ILE A 138 -1.752 -0.748 -7.587 1.00 0.00 C ATOM 951 CG2 ILE A 138 -0.168 0.085 -5.835 1.00 0.00 C ATOM 952 CD1 ILE A 138 -2.917 -0.837 -6.625 1.00 0.00 C ATOM 0 H ILE A 138 -2.707 1.191 -8.811 1.00 0.00 H new ATOM 0 HA ILE A 138 -1.546 2.099 -6.264 1.00 0.00 H new ATOM 0 HB ILE A 138 0.076 0.308 -7.943 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -2.133 -0.554 -8.590 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -1.244 -1.712 -7.620 1.00 0.00 H new ATOM 0 HG21 ILE A 138 0.287 -0.905 -5.806 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.587 0.838 -5.608 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -0.968 0.138 -5.096 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -3.595 -1.627 -6.947 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -2.547 -1.062 -5.625 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -3.450 0.114 -6.610 1.00 0.00 H new ATOM 964 N LEU A 139 -0.502 3.969 -7.652 1.00 0.00 N ATOM 965 CA LEU A 139 0.341 4.976 -8.288 1.00 0.00 C ATOM 966 C LEU A 139 1.753 4.444 -8.477 1.00 0.00 C ATOM 967 O LEU A 139 2.471 4.855 -9.389 1.00 0.00 O ATOM 968 CB LEU A 139 0.377 6.258 -7.450 1.00 0.00 C ATOM 969 CG LEU A 139 -0.917 7.080 -7.446 1.00 0.00 C ATOM 970 CD1 LEU A 139 -0.601 8.567 -7.392 1.00 0.00 C ATOM 971 CD2 LEU A 139 -1.767 6.760 -8.668 1.00 0.00 C ATOM 0 H LEU A 139 -1.112 4.330 -6.918 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.085 5.207 -9.264 1.00 0.00 H new ATOM 0 HB2 LEU A 139 0.621 5.992 -6.421 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.187 6.889 -7.817 1.00 0.00 H new ATOM 0 HG LEU A 139 -1.487 6.813 -6.556 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -1.530 9.137 -7.390 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.039 8.787 -6.485 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -0.007 8.845 -8.263 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -2.680 7.356 -8.643 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -1.206 6.994 -9.573 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -2.025 5.701 -8.665 1.00 0.00 H new ATOM 983 N VAL A 140 2.143 3.524 -7.605 1.00 0.00 N ATOM 984 CA VAL A 140 3.466 2.924 -7.663 1.00 0.00 C ATOM 985 C VAL A 140 3.392 1.494 -8.177 1.00 0.00 C ATOM 986 O VAL A 140 2.484 0.742 -7.823 1.00 0.00 O ATOM 987 CB VAL A 140 4.136 2.920 -6.281 1.00 0.00 C ATOM 988 CG1 VAL A 140 5.399 2.071 -6.298 1.00 0.00 C ATOM 989 CG2 VAL A 140 4.445 4.340 -5.833 1.00 0.00 C ATOM 0 H VAL A 140 1.557 3.176 -6.846 1.00 0.00 H new ATOM 0 HA VAL A 140 4.061 3.527 -8.349 1.00 0.00 H new ATOM 0 HB VAL A 140 3.442 2.480 -5.565 1.00 0.00 H new ATOM 0 HG11 VAL A 140 5.858 2.082 -5.309 1.00 0.00 H new ATOM 0 HG12 VAL A 140 5.145 1.046 -6.569 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.100 2.476 -7.028 1.00 0.00 H new ATOM 0 HG21 VAL A 140 4.919 4.317 -4.852 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.118 4.810 -6.550 1.00 0.00 H new ATOM 0 HG23 VAL A 140 3.519 4.913 -5.775 1.00 0.00 H new ATOM 999 N GLU A 141 4.357 1.121 -9.006 1.00 0.00 N ATOM 1000 CA GLU A 141 4.404 -0.225 -9.558 1.00 0.00 C ATOM 1001 C GLU A 141 4.740 -1.230 -8.467 1.00 0.00 C ATOM 1002 O GLU A 141 5.906 -1.406 -8.114 1.00 0.00 O ATOM 1003 CB GLU A 141 5.439 -0.306 -10.681 1.00 0.00 C ATOM 1004 CG GLU A 141 4.852 -0.094 -12.068 1.00 0.00 C ATOM 1005 CD GLU A 141 5.716 -0.688 -13.163 1.00 0.00 C ATOM 1006 OE1 GLU A 141 6.684 -0.020 -13.584 1.00 0.00 O ATOM 1007 OE2 GLU A 141 5.425 -1.821 -13.600 1.00 0.00 O ATOM 0 H GLU A 141 5.116 1.730 -9.310 1.00 0.00 H new ATOM 0 HA GLU A 141 3.423 -0.464 -9.969 1.00 0.00 H new ATOM 0 HB2 GLU A 141 6.213 0.441 -10.505 1.00 0.00 H new ATOM 0 HB3 GLU A 141 5.924 -1.281 -10.646 1.00 0.00 H new ATOM 0 HG2 GLU A 141 3.859 -0.542 -12.111 1.00 0.00 H new ATOM 0 HG3 GLU A 141 4.728 0.974 -12.247 1.00 0.00 H new ATOM 1014 N SER A 142 3.710 -1.879 -7.928 1.00 0.00 N ATOM 1015 CA SER A 142 3.898 -2.859 -6.866 1.00 0.00 C ATOM 1016 C SER A 142 5.212 -3.610 -7.051 1.00 0.00 C ATOM 1017 O SER A 142 5.685 -3.781 -8.174 1.00 0.00 O ATOM 1018 CB SER A 142 2.736 -3.849 -6.834 1.00 0.00 C ATOM 1019 OG SER A 142 2.559 -4.470 -8.095 1.00 0.00 O ATOM 0 H SER A 142 2.739 -1.743 -8.210 1.00 0.00 H new ATOM 0 HA SER A 142 3.930 -2.323 -5.917 1.00 0.00 H new ATOM 0 HB2 SER A 142 2.922 -4.608 -6.074 1.00 0.00 H new ATOM 0 HB3 SER A 142 1.821 -3.331 -6.549 1.00 0.00 H new ATOM 0 HG SER A 142 2.668 -5.439 -8.000 1.00 0.00 H new ATOM 1025 N GLY A 143 5.801 -4.051 -5.946 1.00 0.00 N ATOM 1026 CA GLY A 143 7.057 -4.772 -6.022 1.00 0.00 C ATOM 1027 C GLY A 143 8.196 -3.888 -6.490 1.00 0.00 C ATOM 1028 O GLY A 143 9.083 -4.339 -7.216 1.00 0.00 O ATOM 0 H GLY A 143 5.433 -3.923 -5.003 1.00 0.00 H new ATOM 0 HA2 GLY A 143 7.298 -5.184 -5.042 1.00 0.00 H new ATOM 0 HA3 GLY A 143 6.949 -5.615 -6.704 1.00 0.00 H new ATOM 1032 N GLN A 144 8.171 -2.624 -6.077 1.00 0.00 N ATOM 1033 CA GLN A 144 9.211 -1.675 -6.465 1.00 0.00 C ATOM 1034 C GLN A 144 9.453 -0.646 -5.366 1.00 0.00 C ATOM 1035 O GLN A 144 8.564 -0.358 -4.563 1.00 0.00 O ATOM 1036 CB GLN A 144 8.824 -0.967 -7.764 1.00 0.00 C ATOM 1037 CG GLN A 144 8.324 -1.910 -8.846 1.00 0.00 C ATOM 1038 CD GLN A 144 9.449 -2.664 -9.528 1.00 0.00 C ATOM 1039 OE1 GLN A 144 10.619 -2.509 -9.176 1.00 0.00 O ATOM 1040 NE2 GLN A 144 9.100 -3.484 -10.511 1.00 0.00 N ATOM 0 H GLN A 144 7.445 -2.234 -5.476 1.00 0.00 H new ATOM 0 HA GLN A 144 10.134 -2.233 -6.622 1.00 0.00 H new ATOM 0 HB2 GLN A 144 8.050 -0.230 -7.550 1.00 0.00 H new ATOM 0 HB3 GLN A 144 9.688 -0.420 -8.141 1.00 0.00 H new ATOM 0 HG2 GLN A 144 7.627 -2.624 -8.407 1.00 0.00 H new ATOM 0 HG3 GLN A 144 7.769 -1.340 -9.591 1.00 0.00 H new ATOM 0 HE21 GLN A 144 8.118 -3.582 -10.769 1.00 0.00 H new ATOM 0 HE22 GLN A 144 9.814 -4.017 -11.008 1.00 0.00 H new ATOM 1049 N PRO A 145 10.667 -0.077 -5.320 1.00 0.00 N ATOM 1050 CA PRO A 145 11.036 0.927 -4.319 1.00 0.00 C ATOM 1051 C PRO A 145 10.364 2.272 -4.572 1.00 0.00 C ATOM 1052 O PRO A 145 9.699 2.465 -5.589 1.00 0.00 O ATOM 1053 CB PRO A 145 12.552 1.047 -4.484 1.00 0.00 C ATOM 1054 CG PRO A 145 12.807 0.669 -5.903 1.00 0.00 C ATOM 1055 CD PRO A 145 11.775 -0.371 -6.248 1.00 0.00 C ATOM 0 HA PRO A 145 10.723 0.638 -3.316 1.00 0.00 H new ATOM 0 HB2 PRO A 145 12.894 2.061 -4.276 1.00 0.00 H new ATOM 0 HB3 PRO A 145 13.079 0.385 -3.797 1.00 0.00 H new ATOM 0 HG2 PRO A 145 12.722 1.535 -6.559 1.00 0.00 H new ATOM 0 HG3 PRO A 145 13.815 0.274 -6.026 1.00 0.00 H new ATOM 0 HD2 PRO A 145 11.459 -0.293 -7.288 1.00 0.00 H new ATOM 0 HD3 PRO A 145 12.160 -1.381 -6.107 1.00 0.00 H new ATOM 1063 N VAL A 146 10.542 3.201 -3.637 1.00 0.00 N ATOM 1064 CA VAL A 146 9.954 4.529 -3.756 1.00 0.00 C ATOM 1065 C VAL A 146 10.616 5.510 -2.794 1.00 0.00 C ATOM 1066 O VAL A 146 11.597 5.175 -2.130 1.00 0.00 O ATOM 1067 CB VAL A 146 8.439 4.496 -3.476 1.00 0.00 C ATOM 1068 CG1 VAL A 146 7.696 3.838 -4.629 1.00 0.00 C ATOM 1069 CG2 VAL A 146 8.158 3.773 -2.168 1.00 0.00 C ATOM 0 H VAL A 146 11.089 3.057 -2.788 1.00 0.00 H new ATOM 0 HA VAL A 146 10.121 4.861 -4.781 1.00 0.00 H new ATOM 0 HB VAL A 146 8.081 5.521 -3.384 1.00 0.00 H new ATOM 0 HG11 VAL A 146 6.628 3.824 -4.413 1.00 0.00 H new ATOM 0 HG12 VAL A 146 7.873 4.401 -5.545 1.00 0.00 H new ATOM 0 HG13 VAL A 146 8.054 2.816 -4.756 1.00 0.00 H new ATOM 0 HG21 VAL A 146 7.084 3.758 -1.984 1.00 0.00 H new ATOM 0 HG22 VAL A 146 8.530 2.750 -2.230 1.00 0.00 H new ATOM 0 HG23 VAL A 146 8.659 4.292 -1.351 1.00 0.00 H new ATOM 1079 N GLU A 147 10.074 6.721 -2.723 1.00 0.00 N ATOM 1080 CA GLU A 147 10.616 7.750 -1.841 1.00 0.00 C ATOM 1081 C GLU A 147 9.496 8.546 -1.178 1.00 0.00 C ATOM 1082 O GLU A 147 8.320 8.363 -1.490 1.00 0.00 O ATOM 1083 CB GLU A 147 11.533 8.691 -2.624 1.00 0.00 C ATOM 1084 CG GLU A 147 10.794 9.571 -3.619 1.00 0.00 C ATOM 1085 CD GLU A 147 11.670 10.001 -4.779 1.00 0.00 C ATOM 1086 OE1 GLU A 147 11.896 9.177 -5.690 1.00 0.00 O ATOM 1087 OE2 GLU A 147 12.130 11.163 -4.776 1.00 0.00 O ATOM 0 H GLU A 147 9.261 7.015 -3.264 1.00 0.00 H new ATOM 0 HA GLU A 147 11.195 7.256 -1.061 1.00 0.00 H new ATOM 0 HB2 GLU A 147 12.074 9.326 -1.922 1.00 0.00 H new ATOM 0 HB3 GLU A 147 12.277 8.099 -3.157 1.00 0.00 H new ATOM 0 HG2 GLU A 147 9.928 9.031 -4.003 1.00 0.00 H new ATOM 0 HG3 GLU A 147 10.417 10.456 -3.106 1.00 0.00 H new ATOM 1094 N PHE A 148 9.871 9.430 -0.260 1.00 0.00 N ATOM 1095 CA PHE A 148 8.899 10.256 0.449 1.00 0.00 C ATOM 1096 C PHE A 148 7.947 10.937 -0.530 1.00 0.00 C ATOM 1097 O PHE A 148 8.330 11.272 -1.652 1.00 0.00 O ATOM 1098 CB PHE A 148 9.617 11.308 1.296 1.00 0.00 C ATOM 1099 CG PHE A 148 8.700 12.359 1.855 1.00 0.00 C ATOM 1100 CD1 PHE A 148 7.564 11.997 2.572 1.00 0.00 C ATOM 1101 CD2 PHE A 148 8.971 13.709 1.664 1.00 0.00 C ATOM 1102 CE1 PHE A 148 6.716 12.965 3.089 1.00 0.00 C ATOM 1103 CE2 PHE A 148 8.128 14.680 2.179 1.00 0.00 C ATOM 1104 CZ PHE A 148 6.999 14.308 2.891 1.00 0.00 C ATOM 0 H PHE A 148 10.841 9.593 0.011 1.00 0.00 H new ATOM 0 HA PHE A 148 8.316 9.608 1.103 1.00 0.00 H new ATOM 0 HB2 PHE A 148 10.131 10.811 2.119 1.00 0.00 H new ATOM 0 HB3 PHE A 148 10.382 11.791 0.688 1.00 0.00 H new ATOM 0 HD1 PHE A 148 7.340 10.952 2.728 1.00 0.00 H new ATOM 0 HD2 PHE A 148 9.849 14.004 1.108 1.00 0.00 H new ATOM 0 HE1 PHE A 148 5.837 12.673 3.645 1.00 0.00 H new ATOM 0 HE2 PHE A 148 8.350 15.726 2.026 1.00 0.00 H new ATOM 0 HZ PHE A 148 6.340 15.064 3.292 1.00 0.00 H new ATOM 1114 N ASP A 149 6.704 11.139 -0.100 1.00 0.00 N ATOM 1115 CA ASP A 149 5.700 11.780 -0.942 1.00 0.00 C ATOM 1116 C ASP A 149 5.580 11.068 -2.283 1.00 0.00 C ATOM 1117 O ASP A 149 5.311 11.693 -3.308 1.00 0.00 O ATOM 1118 CB ASP A 149 6.050 13.252 -1.162 1.00 0.00 C ATOM 1119 CG ASP A 149 5.091 14.188 -0.451 1.00 0.00 C ATOM 1120 OD1 ASP A 149 4.849 13.983 0.757 1.00 0.00 O ATOM 1121 OD2 ASP A 149 4.584 15.125 -1.103 1.00 0.00 O ATOM 0 H ASP A 149 6.369 10.868 0.825 1.00 0.00 H new ATOM 0 HA ASP A 149 4.740 11.716 -0.430 1.00 0.00 H new ATOM 0 HB2 ASP A 149 7.064 13.438 -0.808 1.00 0.00 H new ATOM 0 HB3 ASP A 149 6.040 13.469 -2.230 1.00 0.00 H new ATOM 1126 N GLU A 150 5.777 9.755 -2.266 1.00 0.00 N ATOM 1127 CA GLU A 150 5.689 8.957 -3.480 1.00 0.00 C ATOM 1128 C GLU A 150 4.445 8.076 -3.458 1.00 0.00 C ATOM 1129 O GLU A 150 4.536 6.866 -3.255 1.00 0.00 O ATOM 1130 CB GLU A 150 6.937 8.089 -3.640 1.00 0.00 C ATOM 1131 CG GLU A 150 7.017 7.384 -4.984 1.00 0.00 C ATOM 1132 CD GLU A 150 7.397 8.322 -6.112 1.00 0.00 C ATOM 1133 OE1 GLU A 150 7.385 9.552 -5.891 1.00 0.00 O ATOM 1134 OE2 GLU A 150 7.705 7.829 -7.217 1.00 0.00 O ATOM 0 H GLU A 150 5.998 9.222 -1.425 1.00 0.00 H new ATOM 0 HA GLU A 150 5.620 9.638 -4.328 1.00 0.00 H new ATOM 0 HB2 GLU A 150 7.822 8.712 -3.512 1.00 0.00 H new ATOM 0 HB3 GLU A 150 6.955 7.343 -2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 150 7.748 6.578 -4.924 1.00 0.00 H new ATOM 0 HG3 GLU A 150 6.054 6.925 -5.207 1.00 0.00 H new ATOM 1141 N PRO A 151 3.264 8.675 -3.675 1.00 0.00 N ATOM 1142 CA PRO A 151 2.000 7.945 -3.688 1.00 0.00 C ATOM 1143 C PRO A 151 2.153 6.560 -4.304 1.00 0.00 C ATOM 1144 O PRO A 151 2.707 6.415 -5.393 1.00 0.00 O ATOM 1145 CB PRO A 151 1.116 8.837 -4.551 1.00 0.00 C ATOM 1146 CG PRO A 151 1.600 10.224 -4.276 1.00 0.00 C ATOM 1147 CD PRO A 151 3.070 10.113 -3.934 1.00 0.00 C ATOM 0 HA PRO A 151 1.600 7.762 -2.691 1.00 0.00 H new ATOM 0 HB2 PRO A 151 1.210 8.586 -5.608 1.00 0.00 H new ATOM 0 HB3 PRO A 151 0.064 8.725 -4.290 1.00 0.00 H new ATOM 0 HG2 PRO A 151 1.452 10.865 -5.145 1.00 0.00 H new ATOM 0 HG3 PRO A 151 1.044 10.672 -3.452 1.00 0.00 H new ATOM 0 HD2 PRO A 151 3.699 10.460 -4.754 1.00 0.00 H new ATOM 0 HD3 PRO A 151 3.324 10.714 -3.061 1.00 0.00 H new ATOM 1155 N LEU A 152 1.678 5.540 -3.596 1.00 0.00 N ATOM 1156 CA LEU A 152 1.786 4.166 -4.075 1.00 0.00 C ATOM 1157 C LEU A 152 0.421 3.496 -4.191 1.00 0.00 C ATOM 1158 O LEU A 152 0.107 2.886 -5.212 1.00 0.00 O ATOM 1159 CB LEU A 152 2.678 3.350 -3.136 1.00 0.00 C ATOM 1160 CG LEU A 152 3.683 4.162 -2.318 1.00 0.00 C ATOM 1161 CD1 LEU A 152 3.489 3.904 -0.833 1.00 0.00 C ATOM 1162 CD2 LEU A 152 5.106 3.829 -2.740 1.00 0.00 C ATOM 0 H LEU A 152 1.216 5.638 -2.692 1.00 0.00 H new ATOM 0 HA LEU A 152 2.230 4.201 -5.070 1.00 0.00 H new ATOM 0 HB2 LEU A 152 2.041 2.794 -2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 152 3.225 2.616 -3.728 1.00 0.00 H new ATOM 0 HG LEU A 152 3.510 5.221 -2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 152 4.212 4.489 -0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.479 4.193 -0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 152 3.637 2.844 -0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 152 5.808 4.416 -2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 152 5.294 2.768 -2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 152 5.237 4.065 -3.796 1.00 0.00 H new ATOM 1174 N VAL A 153 -0.382 3.602 -3.138 1.00 0.00 N ATOM 1175 CA VAL A 153 -1.703 2.993 -3.126 1.00 0.00 C ATOM 1176 C VAL A 153 -2.799 4.044 -3.010 1.00 0.00 C ATOM 1177 O VAL A 153 -2.926 4.718 -1.988 1.00 0.00 O ATOM 1178 CB VAL A 153 -1.842 1.984 -1.968 1.00 0.00 C ATOM 1179 CG1 VAL A 153 -1.259 2.556 -0.687 1.00 0.00 C ATOM 1180 CG2 VAL A 153 -3.299 1.589 -1.770 1.00 0.00 C ATOM 0 H VAL A 153 -0.140 4.104 -2.284 1.00 0.00 H new ATOM 0 HA VAL A 153 -1.817 2.467 -4.074 1.00 0.00 H new ATOM 0 HB VAL A 153 -1.280 1.087 -2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 153 -1.367 1.829 0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 153 -0.202 2.779 -0.836 1.00 0.00 H new ATOM 0 HG13 VAL A 153 -1.789 3.471 -0.423 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -3.374 0.877 -0.948 1.00 0.00 H new ATOM 0 HG22 VAL A 153 -3.888 2.476 -1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 153 -3.679 1.131 -2.683 1.00 0.00 H new ATOM 1190 N VAL A 154 -3.585 4.170 -4.071 1.00 0.00 N ATOM 1191 CA VAL A 154 -4.683 5.130 -4.111 1.00 0.00 C ATOM 1192 C VAL A 154 -5.995 4.481 -3.681 1.00 0.00 C ATOM 1193 O VAL A 154 -6.241 3.310 -3.970 1.00 0.00 O ATOM 1194 CB VAL A 154 -4.862 5.718 -5.523 1.00 0.00 C ATOM 1195 CG1 VAL A 154 -5.486 7.104 -5.451 1.00 0.00 C ATOM 1196 CG2 VAL A 154 -3.531 5.762 -6.256 1.00 0.00 C ATOM 0 H VAL A 154 -3.482 3.616 -4.921 1.00 0.00 H new ATOM 0 HA VAL A 154 -4.428 5.931 -3.417 1.00 0.00 H new ATOM 0 HB VAL A 154 -5.537 5.070 -6.082 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -5.604 7.503 -6.459 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -6.462 7.039 -4.970 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -4.840 7.765 -4.873 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -3.678 6.180 -7.252 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -2.830 6.385 -5.700 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -3.130 4.752 -6.342 1.00 0.00 H new ATOM 1206 N ILE A 155 -6.833 5.250 -2.994 1.00 0.00 N ATOM 1207 CA ILE A 155 -8.121 4.751 -2.526 1.00 0.00 C ATOM 1208 C ILE A 155 -9.189 5.840 -2.588 1.00 0.00 C ATOM 1209 O ILE A 155 -8.914 7.006 -2.306 1.00 0.00 O ATOM 1210 CB ILE A 155 -8.026 4.224 -1.079 1.00 0.00 C ATOM 1211 CG1 ILE A 155 -6.924 3.168 -0.968 1.00 0.00 C ATOM 1212 CG2 ILE A 155 -9.361 3.652 -0.633 1.00 0.00 C ATOM 1213 CD1 ILE A 155 -6.569 2.814 0.460 1.00 0.00 C ATOM 0 H ILE A 155 -6.643 6.222 -2.749 1.00 0.00 H new ATOM 0 HA ILE A 155 -8.402 3.932 -3.187 1.00 0.00 H new ATOM 0 HB ILE A 155 -7.773 5.057 -0.422 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -7.243 2.265 -1.489 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -6.031 3.531 -1.477 1.00 0.00 H new ATOM 0 HG21 ILE A 155 -9.276 3.285 0.390 1.00 0.00 H new ATOM 0 HG22 ILE A 155 -10.123 4.430 -0.677 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -9.643 2.830 -1.291 1.00 0.00 H new ATOM 0 HD11 ILE A 155 -5.782 2.060 0.463 1.00 0.00 H new ATOM 0 HD12 ILE A 155 -6.219 3.706 0.980 1.00 0.00 H new ATOM 0 HD13 ILE A 155 -7.450 2.420 0.967 1.00 0.00 H new ATOM 1225 N GLU A 156 -10.408 5.456 -2.961 1.00 0.00 N ATOM 1226 CA GLU A 156 -11.510 6.407 -3.058 1.00 0.00 C ATOM 1227 C GLU A 156 -11.925 6.899 -1.675 1.00 0.00 C ATOM 1228 O GLU A 156 -12.771 6.232 -1.039 1.00 0.00 O ATOM 1229 CB GLU A 156 -12.706 5.766 -3.765 1.00 0.00 C ATOM 1230 CG GLU A 156 -13.985 6.579 -3.653 1.00 0.00 C ATOM 1231 CD GLU A 156 -15.228 5.750 -3.918 1.00 0.00 C ATOM 1232 OE1 GLU A 156 -15.560 4.893 -3.072 1.00 0.00 O ATOM 1233 OE2 GLU A 156 -15.867 5.959 -4.970 1.00 0.00 O ATOM 1234 OXT GLU A 156 -11.402 7.945 -1.237 1.00 0.00 O ATOM 0 H GLU A 156 -10.656 4.496 -3.200 1.00 0.00 H new ATOM 0 HA GLU A 156 -11.169 7.262 -3.642 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -12.464 5.628 -4.819 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -12.877 4.775 -3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -14.049 7.014 -2.656 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -13.948 7.408 -4.360 1.00 0.00 H new