USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 593 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 60 MET CE :methyl -177:sc= -0.955 (180deg=-1.19) USER MOD Set 1.2: A 62 THR OG1 : rot 26:sc= 0.034 USER MOD Single : A 9 GLN : amide:sc= -0.566 K(o=-0.57,f=-3.8!) USER MOD Single : A 11 CYS SG : rot 40:sc=0.000104 USER MOD Single : A 15 GLN : amide:sc= -2.5 K(o=-2.5,f=-5.6!) USER MOD Single : A 16 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.024) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.174 K(o=-0.17,f=-2.1!) USER MOD Single : A 35 SER OG : rot 14:sc= 0.121 USER MOD Single : A 43 MET CE :methyl -139:sc= -1.36 (180deg=-1.91) USER MOD Single : A 44 LYS NZ :NH3+ -147:sc= -0.0859 (180deg=-1.33) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -3.28 K(o=-3.3,f=-9.1!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0.00295 USER MOD Single : A 66 HIS : no HD1:sc= -4.25! C(o=-4.2!,f=-5!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 162:sc= -0.0253 (180deg=-0.235) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -160:sc= -0.14 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -14.667 2.816 -8.934 1.00 0.00 N ATOM 67 CA VAL A 8 -13.583 3.264 -9.800 1.00 0.00 C ATOM 68 C VAL A 8 -12.271 3.364 -9.032 1.00 0.00 C ATOM 69 O VAL A 8 -12.228 3.903 -7.926 1.00 0.00 O ATOM 70 CB VAL A 8 -13.901 4.631 -10.435 1.00 0.00 C ATOM 71 CG1 VAL A 8 -14.073 5.692 -9.359 1.00 0.00 C ATOM 72 CG2 VAL A 8 -12.809 5.028 -11.416 1.00 0.00 C ATOM 0 HA VAL A 8 -13.481 2.520 -10.590 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.839 4.549 -10.984 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.297 6.651 -9.826 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.892 5.410 -8.698 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.153 5.776 -8.781 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.049 5.996 -11.856 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -11.856 5.094 -10.892 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -12.738 4.279 -12.205 1.00 0.00 H new ATOM 82 N GLN A 9 -11.202 2.843 -9.625 1.00 0.00 N ATOM 83 CA GLN A 9 -9.888 2.874 -8.995 1.00 0.00 C ATOM 84 C GLN A 9 -8.992 3.916 -9.658 1.00 0.00 C ATOM 85 O GLN A 9 -9.093 4.162 -10.860 1.00 0.00 O ATOM 86 CB GLN A 9 -9.229 1.496 -9.071 1.00 0.00 C ATOM 87 CG GLN A 9 -9.044 0.987 -10.492 1.00 0.00 C ATOM 88 CD GLN A 9 -8.844 -0.514 -10.553 1.00 0.00 C ATOM 89 OE1 GLN A 9 -9.451 -1.264 -9.787 1.00 0.00 O ATOM 90 NE2 GLN A 9 -7.990 -0.962 -11.466 1.00 0.00 N ATOM 0 H GLN A 9 -11.220 2.394 -10.541 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.021 3.147 -7.948 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.257 1.540 -8.580 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.835 0.781 -8.514 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.916 1.258 -11.087 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.184 1.483 -10.942 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.509 -0.305 -12.080 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.815 -1.963 -11.553 1.00 0.00 H new ATOM 99 N ARG A 10 -8.115 4.525 -8.866 1.00 0.00 N ATOM 100 CA ARG A 10 -7.202 5.541 -9.375 1.00 0.00 C ATOM 101 C ARG A 10 -5.757 5.054 -9.314 1.00 0.00 C ATOM 102 O ARG A 10 -5.405 4.228 -8.470 1.00 0.00 O ATOM 103 CB ARG A 10 -7.349 6.836 -8.575 1.00 0.00 C ATOM 104 CG ARG A 10 -6.429 7.951 -9.045 1.00 0.00 C ATOM 105 CD ARG A 10 -6.886 8.526 -10.376 1.00 0.00 C ATOM 106 NE ARG A 10 -5.936 9.500 -10.906 1.00 0.00 N ATOM 107 CZ ARG A 10 -5.902 10.774 -10.531 1.00 0.00 C ATOM 108 NH1 ARG A 10 -6.761 11.225 -9.627 1.00 0.00 N ATOM 109 NH2 ARG A 10 -5.008 11.599 -11.059 1.00 0.00 N ATOM 0 H ARG A 10 -8.018 4.332 -7.869 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.458 5.734 -10.417 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.382 7.178 -8.640 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.147 6.629 -7.524 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.402 8.742 -8.296 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.413 7.569 -9.142 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.015 7.717 -11.095 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.860 9.000 -10.251 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.261 9.185 -11.603 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.450 10.593 -9.218 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.733 12.204 -9.341 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.345 11.256 -11.754 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.983 12.577 -10.770 1.00 0.00 H new ATOM 123 N CYS A 11 -4.926 5.569 -10.212 1.00 0.00 N ATOM 124 CA CYS A 11 -3.520 5.186 -10.262 1.00 0.00 C ATOM 125 C CYS A 11 -2.645 6.241 -9.593 1.00 0.00 C ATOM 126 O CYS A 11 -2.387 7.302 -10.163 1.00 0.00 O ATOM 127 CB CYS A 11 -3.076 4.982 -11.711 1.00 0.00 C ATOM 128 SG CYS A 11 -3.290 6.438 -12.761 1.00 0.00 S ATOM 0 H CYS A 11 -5.202 6.254 -10.916 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.405 4.248 -9.719 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.025 4.692 -11.720 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.639 4.153 -12.139 1.00 0.00 H new ATOM 0 HG CYS A 11 -2.967 7.506 -12.093 1.00 0.00 H new ATOM 134 N VAL A 12 -2.192 5.945 -8.379 1.00 0.00 N ATOM 135 CA VAL A 12 -1.346 6.868 -7.632 1.00 0.00 C ATOM 136 C VAL A 12 0.129 6.516 -7.794 1.00 0.00 C ATOM 137 O VAL A 12 0.498 5.342 -7.817 1.00 0.00 O ATOM 138 CB VAL A 12 -1.701 6.866 -6.133 1.00 0.00 C ATOM 139 CG1 VAL A 12 -1.376 5.518 -5.508 1.00 0.00 C ATOM 140 CG2 VAL A 12 -0.970 7.988 -5.412 1.00 0.00 C ATOM 0 H VAL A 12 -2.397 5.073 -7.892 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.526 7.863 -8.040 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.773 7.037 -6.031 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.634 5.536 -4.449 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.950 4.737 -6.008 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.311 5.313 -5.619 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.232 7.972 -4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.106 7.851 -5.521 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.259 8.947 -5.843 1.00 0.00 H new ATOM 150 N ILE A 13 0.966 7.541 -7.906 1.00 0.00 N ATOM 151 CA ILE A 13 2.401 7.341 -8.064 1.00 0.00 C ATOM 152 C ILE A 13 3.176 7.985 -6.919 1.00 0.00 C ATOM 153 O ILE A 13 2.863 9.097 -6.493 1.00 0.00 O ATOM 154 CB ILE A 13 2.907 7.917 -9.400 1.00 0.00 C ATOM 155 CG1 ILE A 13 1.983 7.495 -10.544 1.00 0.00 C ATOM 156 CG2 ILE A 13 4.333 7.461 -9.668 1.00 0.00 C ATOM 157 CD1 ILE A 13 2.104 6.032 -10.910 1.00 0.00 C ATOM 0 H ILE A 13 0.675 8.519 -7.890 1.00 0.00 H new ATOM 0 HA ILE A 13 2.572 6.264 -8.055 1.00 0.00 H new ATOM 0 HB ILE A 13 2.901 9.005 -9.335 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.951 7.707 -10.264 1.00 0.00 H new ATOM 0 HG13 ILE A 13 2.206 8.101 -11.422 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.676 7.876 -10.616 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.983 7.807 -8.864 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.364 6.373 -9.717 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.420 5.804 -11.728 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.126 5.818 -11.221 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.852 5.419 -10.045 1.00 0.00 H new ATOM 169 N ILE A 14 4.190 7.281 -6.428 1.00 0.00 N ATOM 170 CA ILE A 14 5.012 7.786 -5.335 1.00 0.00 C ATOM 171 C ILE A 14 6.493 7.546 -5.605 1.00 0.00 C ATOM 172 O ILE A 14 6.868 6.545 -6.215 1.00 0.00 O ATOM 173 CB ILE A 14 4.632 7.128 -3.995 1.00 0.00 C ATOM 174 CG1 ILE A 14 3.117 7.178 -3.789 1.00 0.00 C ATOM 175 CG2 ILE A 14 5.352 7.817 -2.845 1.00 0.00 C ATOM 176 CD1 ILE A 14 2.635 6.318 -2.642 1.00 0.00 C ATOM 0 H ILE A 14 4.462 6.359 -6.770 1.00 0.00 H new ATOM 0 HA ILE A 14 4.827 8.858 -5.269 1.00 0.00 H new ATOM 0 HB ILE A 14 4.942 6.083 -4.018 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.817 8.210 -3.610 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.623 6.857 -4.706 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.074 7.341 -1.904 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.429 7.734 -2.989 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.069 8.869 -2.817 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.552 6.402 -2.554 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.904 5.278 -2.829 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.101 6.653 -1.715 1.00 0.00 H new ATOM 188 N GLN A 15 7.330 8.470 -5.145 1.00 0.00 N ATOM 189 CA GLN A 15 8.771 8.358 -5.336 1.00 0.00 C ATOM 190 C GLN A 15 9.500 8.355 -3.996 1.00 0.00 C ATOM 191 O GLN A 15 9.034 8.948 -3.023 1.00 0.00 O ATOM 192 CB GLN A 15 9.283 9.507 -6.206 1.00 0.00 C ATOM 193 CG GLN A 15 9.104 10.877 -5.571 1.00 0.00 C ATOM 194 CD GLN A 15 7.662 11.344 -5.588 1.00 0.00 C ATOM 195 OE1 GLN A 15 6.807 10.732 -6.229 1.00 0.00 O ATOM 196 NE2 GLN A 15 7.384 12.433 -4.881 1.00 0.00 N ATOM 0 H GLN A 15 7.035 9.304 -4.638 1.00 0.00 H new ATOM 0 HA GLN A 15 8.972 7.413 -5.840 1.00 0.00 H new ATOM 0 HB2 GLN A 15 10.341 9.349 -6.417 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.761 9.488 -7.163 1.00 0.00 H new ATOM 0 HG2 GLN A 15 9.459 10.845 -4.541 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.723 11.602 -6.100 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.124 12.909 -4.365 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.430 12.794 -4.854 1.00 0.00 H new ATOM 205 N LYS A 16 10.645 7.684 -3.952 1.00 0.00 N ATOM 206 CA LYS A 16 11.440 7.604 -2.732 1.00 0.00 C ATOM 207 C LYS A 16 12.387 8.794 -2.621 1.00 0.00 C ATOM 208 O LYS A 16 12.830 9.343 -3.630 1.00 0.00 O ATOM 209 CB LYS A 16 12.238 6.299 -2.703 1.00 0.00 C ATOM 210 CG LYS A 16 13.373 6.257 -3.711 1.00 0.00 C ATOM 211 CD LYS A 16 14.269 5.049 -3.493 1.00 0.00 C ATOM 212 CE LYS A 16 15.475 5.076 -4.419 1.00 0.00 C ATOM 213 NZ LYS A 16 16.481 6.087 -3.990 1.00 0.00 N ATOM 0 H LYS A 16 11.044 7.187 -4.748 1.00 0.00 H new ATOM 0 HA LYS A 16 10.758 7.624 -1.882 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.646 6.155 -1.703 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.562 5.465 -2.895 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.963 6.229 -4.721 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.965 7.169 -3.632 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.605 5.026 -2.456 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.699 4.136 -3.663 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.938 4.090 -4.441 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.148 5.297 -5.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.331 6.005 -4.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.079 7.041 -4.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.737 5.922 -2.996 1.00 0.00 H new ATOM 281 N PHE A 21 10.648 5.898 0.856 1.00 0.00 N ATOM 282 CA PHE A 21 9.261 6.102 0.455 1.00 0.00 C ATOM 283 C PHE A 21 8.443 6.686 1.604 1.00 0.00 C ATOM 284 O PHE A 21 7.971 7.820 1.532 1.00 0.00 O ATOM 285 CB PHE A 21 8.641 4.782 -0.007 1.00 0.00 C ATOM 286 CG PHE A 21 9.028 4.395 -1.405 1.00 0.00 C ATOM 287 CD1 PHE A 21 8.456 5.028 -2.497 1.00 0.00 C ATOM 288 CD2 PHE A 21 9.965 3.399 -1.628 1.00 0.00 C ATOM 289 CE1 PHE A 21 8.811 4.673 -3.785 1.00 0.00 C ATOM 290 CE2 PHE A 21 10.324 3.040 -2.914 1.00 0.00 C ATOM 291 CZ PHE A 21 9.746 3.679 -3.994 1.00 0.00 C ATOM 0 HA PHE A 21 9.249 6.810 -0.374 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.942 3.989 0.678 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.555 4.859 0.053 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.725 5.807 -2.340 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.420 2.897 -0.787 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.357 5.173 -4.628 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.055 2.261 -3.074 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.025 3.401 -5.000 1.00 0.00 H new ATOM 301 N GLY A 22 8.280 5.902 2.665 1.00 0.00 N ATOM 302 CA GLY A 22 7.519 6.356 3.814 1.00 0.00 C ATOM 303 C GLY A 22 6.398 5.405 4.181 1.00 0.00 C ATOM 304 O GLY A 22 6.272 4.997 5.336 1.00 0.00 O ATOM 0 H GLY A 22 8.662 4.960 2.749 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.188 6.470 4.667 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.101 7.340 3.603 1.00 0.00 H new ATOM 308 N PHE A 23 5.579 5.051 3.196 1.00 0.00 N ATOM 309 CA PHE A 23 4.460 4.143 3.421 1.00 0.00 C ATOM 310 C PHE A 23 4.928 2.691 3.419 1.00 0.00 C ATOM 311 O PHE A 23 5.665 2.265 2.530 1.00 0.00 O ATOM 312 CB PHE A 23 3.388 4.346 2.348 1.00 0.00 C ATOM 313 CG PHE A 23 3.643 3.566 1.090 1.00 0.00 C ATOM 314 CD1 PHE A 23 4.648 3.947 0.216 1.00 0.00 C ATOM 315 CD2 PHE A 23 2.879 2.452 0.782 1.00 0.00 C ATOM 316 CE1 PHE A 23 4.885 3.231 -0.943 1.00 0.00 C ATOM 317 CE2 PHE A 23 3.111 1.733 -0.375 1.00 0.00 C ATOM 318 CZ PHE A 23 4.116 2.122 -1.238 1.00 0.00 C ATOM 0 H PHE A 23 5.669 5.379 2.234 1.00 0.00 H new ATOM 0 HA PHE A 23 4.034 4.367 4.399 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.419 4.057 2.755 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.327 5.406 2.102 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.253 4.813 0.442 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.093 2.142 1.454 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.671 3.539 -1.617 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.507 0.868 -0.604 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.301 1.560 -2.142 1.00 0.00 H new ATOM 328 N THR A 24 4.496 1.935 4.424 1.00 0.00 N ATOM 329 CA THR A 24 4.872 0.532 4.541 1.00 0.00 C ATOM 330 C THR A 24 3.645 -0.372 4.491 1.00 0.00 C ATOM 331 O THR A 24 2.552 0.026 4.894 1.00 0.00 O ATOM 332 CB THR A 24 5.640 0.263 5.848 1.00 0.00 C ATOM 333 OG1 THR A 24 4.798 0.530 6.975 1.00 0.00 O ATOM 334 CG2 THR A 24 6.891 1.125 5.928 1.00 0.00 C ATOM 0 H THR A 24 3.885 2.271 5.169 1.00 0.00 H new ATOM 0 HA THR A 24 5.521 0.307 3.694 1.00 0.00 H new ATOM 0 HB THR A 24 5.939 -0.785 5.858 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.293 0.355 7.802 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.417 0.917 6.860 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.544 0.898 5.085 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.610 2.178 5.897 1.00 0.00 H new ATOM 342 N VAL A 25 3.833 -1.591 3.994 1.00 0.00 N ATOM 343 CA VAL A 25 2.741 -2.552 3.893 1.00 0.00 C ATOM 344 C VAL A 25 3.069 -3.836 4.647 1.00 0.00 C ATOM 345 O VAL A 25 4.220 -4.270 4.683 1.00 0.00 O ATOM 346 CB VAL A 25 2.431 -2.896 2.425 1.00 0.00 C ATOM 347 CG1 VAL A 25 1.890 -1.677 1.693 1.00 0.00 C ATOM 348 CG2 VAL A 25 3.672 -3.438 1.731 1.00 0.00 C ATOM 0 H VAL A 25 4.731 -1.936 3.655 1.00 0.00 H new ATOM 0 HA VAL A 25 1.864 -2.085 4.341 1.00 0.00 H new ATOM 0 HB VAL A 25 1.665 -3.671 2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.677 -1.940 0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.974 -1.339 2.177 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.631 -0.878 1.720 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.434 -3.676 0.694 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.462 -2.687 1.759 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.010 -4.340 2.242 1.00 0.00 H new ATOM 358 N SER A 26 2.048 -4.440 5.247 1.00 0.00 N ATOM 359 CA SER A 26 2.228 -5.674 6.003 1.00 0.00 C ATOM 360 C SER A 26 1.205 -6.724 5.579 1.00 0.00 C ATOM 361 O SER A 26 1.145 -7.813 6.149 1.00 0.00 O ATOM 362 CB SER A 26 2.103 -5.401 7.503 1.00 0.00 C ATOM 363 OG SER A 26 2.873 -6.322 8.256 1.00 0.00 O ATOM 0 H SER A 26 1.088 -4.095 5.224 1.00 0.00 H new ATOM 0 HA SER A 26 3.226 -6.058 5.793 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.432 -4.385 7.719 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.057 -5.467 7.802 1.00 0.00 H new ATOM 0 HG SER A 26 2.777 -6.125 9.211 1.00 0.00 H new ATOM 369 N GLY A 27 0.403 -6.388 4.574 1.00 0.00 N ATOM 370 CA GLY A 27 -0.607 -7.312 4.090 1.00 0.00 C ATOM 371 C GLY A 27 -0.012 -8.452 3.287 1.00 0.00 C ATOM 372 O GLY A 27 0.602 -8.230 2.243 1.00 0.00 O ATOM 0 H GLY A 27 0.434 -5.493 4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.160 -7.718 4.937 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.324 -6.771 3.472 1.00 0.00 H new ATOM 376 N ASP A 28 -0.194 -9.674 3.774 1.00 0.00 N ATOM 377 CA ASP A 28 0.330 -10.854 3.095 1.00 0.00 C ATOM 378 C ASP A 28 -0.502 -11.183 1.860 1.00 0.00 C ATOM 379 O ASP A 28 0.011 -11.202 0.741 1.00 0.00 O ATOM 380 CB ASP A 28 0.349 -12.051 4.047 1.00 0.00 C ATOM 381 CG ASP A 28 1.425 -11.930 5.108 1.00 0.00 C ATOM 382 OD1 ASP A 28 1.215 -11.177 6.082 1.00 0.00 O ATOM 383 OD2 ASP A 28 2.477 -12.587 4.964 1.00 0.00 O ATOM 0 H ASP A 28 -0.700 -9.874 4.637 1.00 0.00 H new ATOM 0 HA ASP A 28 1.350 -10.637 2.777 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.624 -12.143 4.529 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.509 -12.965 3.474 1.00 0.00 H new ATOM 388 N ARG A 29 -1.788 -11.443 2.071 1.00 0.00 N ATOM 389 CA ARG A 29 -2.690 -11.775 0.974 1.00 0.00 C ATOM 390 C ARG A 29 -3.185 -10.511 0.277 1.00 0.00 C ATOM 391 O ARG A 29 -3.247 -10.452 -0.951 1.00 0.00 O ATOM 392 CB ARG A 29 -3.880 -12.584 1.492 1.00 0.00 C ATOM 393 CG ARG A 29 -3.635 -14.084 1.512 1.00 0.00 C ATOM 394 CD ARG A 29 -3.024 -14.531 2.831 1.00 0.00 C ATOM 395 NE ARG A 29 -2.481 -15.885 2.752 1.00 0.00 N ATOM 396 CZ ARG A 29 -1.306 -16.174 2.204 1.00 0.00 C ATOM 397 NH1 ARG A 29 -0.555 -15.210 1.690 1.00 0.00 N ATOM 398 NH2 ARG A 29 -0.880 -17.430 2.170 1.00 0.00 N ATOM 0 H ARG A 29 -2.229 -11.430 2.991 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.138 -12.376 0.251 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.123 -12.251 2.501 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.749 -12.375 0.869 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.576 -14.610 1.349 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.971 -14.356 0.691 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.232 -13.839 3.117 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.781 -14.489 3.614 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.034 -16.650 3.139 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.879 -14.243 1.715 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.347 -15.435 1.270 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.455 -18.174 2.565 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.022 -17.651 1.749 1.00 0.00 H new ATOM 412 N ILE A 30 -3.538 -9.504 1.069 1.00 0.00 N ATOM 413 CA ILE A 30 -4.027 -8.242 0.528 1.00 0.00 C ATOM 414 C ILE A 30 -3.157 -7.075 0.981 1.00 0.00 C ATOM 415 O ILE A 30 -3.394 -6.483 2.034 1.00 0.00 O ATOM 416 CB ILE A 30 -5.484 -7.976 0.949 1.00 0.00 C ATOM 417 CG1 ILE A 30 -6.403 -9.076 0.412 1.00 0.00 C ATOM 418 CG2 ILE A 30 -5.938 -6.611 0.454 1.00 0.00 C ATOM 419 CD1 ILE A 30 -6.661 -8.974 -1.075 1.00 0.00 C ATOM 0 H ILE A 30 -3.494 -9.538 2.088 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.981 -8.326 -0.558 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.538 -7.983 2.038 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.959 -10.048 0.630 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.355 -9.034 0.942 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.970 -6.438 0.760 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.299 -5.838 0.881 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.871 -6.578 -0.633 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.320 -9.785 -1.386 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.133 -8.017 -1.298 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.716 -9.046 -1.614 1.00 0.00 H new ATOM 431 N VAL A 31 -2.149 -6.748 0.178 1.00 0.00 N ATOM 432 CA VAL A 31 -1.245 -5.649 0.495 1.00 0.00 C ATOM 433 C VAL A 31 -2.018 -4.406 0.918 1.00 0.00 C ATOM 434 O VAL A 31 -2.721 -3.794 0.113 1.00 0.00 O ATOM 435 CB VAL A 31 -0.346 -5.298 -0.706 1.00 0.00 C ATOM 436 CG1 VAL A 31 0.488 -4.062 -0.405 1.00 0.00 C ATOM 437 CG2 VAL A 31 0.544 -6.477 -1.067 1.00 0.00 C ATOM 0 H VAL A 31 -1.938 -7.229 -0.697 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.619 -5.982 1.323 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.983 -5.077 -1.563 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.117 -3.829 -1.264 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.172 -3.219 -0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.118 -4.251 0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.172 -6.212 -1.917 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.175 -6.731 -0.215 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.076 -7.335 -1.328 1.00 0.00 H new ATOM 447 N LEU A 32 -1.884 -4.036 2.187 1.00 0.00 N ATOM 448 CA LEU A 32 -2.570 -2.863 2.719 1.00 0.00 C ATOM 449 C LEU A 32 -1.590 -1.936 3.431 1.00 0.00 C ATOM 450 O LEU A 32 -0.603 -2.387 4.013 1.00 0.00 O ATOM 451 CB LEU A 32 -3.679 -3.290 3.683 1.00 0.00 C ATOM 452 CG LEU A 32 -5.053 -3.535 3.059 1.00 0.00 C ATOM 453 CD1 LEU A 32 -6.023 -4.074 4.099 1.00 0.00 C ATOM 454 CD2 LEU A 32 -5.592 -2.255 2.437 1.00 0.00 C ATOM 0 H LEU A 32 -1.307 -4.531 2.867 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.013 -2.321 1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.363 -4.203 4.187 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.782 -2.522 4.450 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.946 -4.281 2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.996 -4.242 3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.643 -5.015 4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.126 -3.352 4.909 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.571 -2.448 1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.684 -1.488 3.206 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.908 -1.911 1.662 1.00 0.00 H new ATOM 466 N VAL A 33 -1.871 -0.638 3.383 1.00 0.00 N ATOM 467 CA VAL A 33 -1.017 0.353 4.027 1.00 0.00 C ATOM 468 C VAL A 33 -1.099 0.247 5.545 1.00 0.00 C ATOM 469 O VAL A 33 -2.146 0.502 6.139 1.00 0.00 O ATOM 470 CB VAL A 33 -1.399 1.784 3.603 1.00 0.00 C ATOM 471 CG1 VAL A 33 -0.602 2.808 4.396 1.00 0.00 C ATOM 472 CG2 VAL A 33 -1.185 1.971 2.108 1.00 0.00 C ATOM 0 H VAL A 33 -2.683 -0.248 2.905 1.00 0.00 H new ATOM 0 HA VAL A 33 0.004 0.146 3.706 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.456 1.938 3.818 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.886 3.812 4.082 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.811 2.687 5.459 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.463 2.659 4.216 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.460 2.987 1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.136 1.798 1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.805 1.262 1.560 1.00 0.00 H new ATOM 482 N GLN A 34 0.014 -0.132 6.167 1.00 0.00 N ATOM 483 CA GLN A 34 0.067 -0.272 7.617 1.00 0.00 C ATOM 484 C GLN A 34 0.397 1.060 8.282 1.00 0.00 C ATOM 485 O GLN A 34 -0.220 1.438 9.278 1.00 0.00 O ATOM 486 CB GLN A 34 1.107 -1.323 8.011 1.00 0.00 C ATOM 487 CG GLN A 34 0.975 -1.802 9.447 1.00 0.00 C ATOM 488 CD GLN A 34 2.285 -2.307 10.017 1.00 0.00 C ATOM 489 OE1 GLN A 34 3.330 -2.221 9.372 1.00 0.00 O ATOM 490 NE2 GLN A 34 2.237 -2.839 11.233 1.00 0.00 N ATOM 0 H GLN A 34 0.889 -0.347 5.690 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.915 -0.595 7.961 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.018 -2.179 7.342 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.104 -0.907 7.866 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.605 -0.985 10.066 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.232 -2.598 9.493 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.349 -2.890 11.732 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.088 -3.196 11.667 1.00 0.00 H new ATOM 499 N SER A 35 1.373 1.769 7.724 1.00 0.00 N ATOM 500 CA SER A 35 1.787 3.058 8.265 1.00 0.00 C ATOM 501 C SER A 35 2.225 4.001 7.148 1.00 0.00 C ATOM 502 O SER A 35 2.656 3.561 6.082 1.00 0.00 O ATOM 503 CB SER A 35 2.929 2.871 9.266 1.00 0.00 C ATOM 504 OG SER A 35 2.437 2.464 10.531 1.00 0.00 O ATOM 0 H SER A 35 1.892 1.472 6.897 1.00 0.00 H new ATOM 0 HA SER A 35 0.933 3.501 8.777 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.630 2.126 8.888 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.482 3.805 9.371 1.00 0.00 H new ATOM 0 HG SER A 35 1.503 2.179 10.443 1.00 0.00 H new ATOM 510 N VAL A 36 2.109 5.301 7.400 1.00 0.00 N ATOM 511 CA VAL A 36 2.493 6.307 6.417 1.00 0.00 C ATOM 512 C VAL A 36 3.271 7.444 7.070 1.00 0.00 C ATOM 513 O VAL A 36 2.786 8.087 8.001 1.00 0.00 O ATOM 514 CB VAL A 36 1.261 6.889 5.699 1.00 0.00 C ATOM 515 CG1 VAL A 36 1.685 7.897 4.642 1.00 0.00 C ATOM 516 CG2 VAL A 36 0.428 5.775 5.083 1.00 0.00 C ATOM 0 H VAL A 36 1.752 5.682 8.276 1.00 0.00 H new ATOM 0 HA VAL A 36 3.129 5.808 5.685 1.00 0.00 H new ATOM 0 HB VAL A 36 0.645 7.408 6.434 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.801 8.297 4.146 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.235 8.710 5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.323 7.407 3.907 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.438 6.204 4.580 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.032 5.226 4.361 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.093 5.096 5.867 1.00 0.00 H new ATOM 526 N ARG A 37 4.480 7.687 6.576 1.00 0.00 N ATOM 527 CA ARG A 37 5.326 8.747 7.111 1.00 0.00 C ATOM 528 C ARG A 37 4.602 10.090 7.078 1.00 0.00 C ATOM 529 O ARG A 37 3.991 10.469 6.079 1.00 0.00 O ATOM 530 CB ARG A 37 6.630 8.839 6.316 1.00 0.00 C ATOM 531 CG ARG A 37 7.817 9.302 7.145 1.00 0.00 C ATOM 532 CD ARG A 37 7.972 10.814 7.097 1.00 0.00 C ATOM 533 NE ARG A 37 9.354 11.230 7.323 1.00 0.00 N ATOM 534 CZ ARG A 37 9.954 11.173 8.507 1.00 0.00 C ATOM 535 NH1 ARG A 37 9.298 10.719 9.566 1.00 0.00 N ATOM 536 NH2 ARG A 37 11.215 11.569 8.633 1.00 0.00 N ATOM 0 H ARG A 37 4.896 7.164 5.806 1.00 0.00 H new ATOM 0 HA ARG A 37 5.557 8.504 8.148 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.855 7.862 5.889 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.490 9.527 5.482 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.688 8.981 8.179 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.727 8.830 6.775 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.637 11.182 6.127 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.329 11.268 7.851 1.00 0.00 H new ATOM 0 HE ARG A 37 9.887 11.583 6.529 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.330 10.412 9.473 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.762 10.677 10.474 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.724 11.917 7.820 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.675 11.525 9.542 1.00 0.00 H new ATOM 550 N PRO A 38 4.671 10.826 8.197 1.00 0.00 N ATOM 551 CA PRO A 38 4.028 12.138 8.322 1.00 0.00 C ATOM 552 C PRO A 38 4.706 13.200 7.463 1.00 0.00 C ATOM 553 O PRO A 38 4.335 14.372 7.501 1.00 0.00 O ATOM 554 CB PRO A 38 4.185 12.470 9.807 1.00 0.00 C ATOM 555 CG PRO A 38 5.382 11.698 10.244 1.00 0.00 C ATOM 556 CD PRO A 38 5.381 10.436 9.426 1.00 0.00 C ATOM 0 HA PRO A 38 2.992 12.118 7.983 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.326 13.540 9.961 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.299 12.181 10.373 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.296 12.269 10.080 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.334 11.473 11.309 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.394 10.094 9.213 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.872 9.623 9.943 1.00 0.00 H new ATOM 564 N GLY A 39 5.703 12.781 6.690 1.00 0.00 N ATOM 565 CA GLY A 39 6.418 13.709 5.833 1.00 0.00 C ATOM 566 C GLY A 39 7.196 13.006 4.739 1.00 0.00 C ATOM 567 O GLY A 39 8.313 13.403 4.409 1.00 0.00 O ATOM 0 H GLY A 39 6.028 11.816 6.642 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.708 14.402 5.382 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.103 14.303 6.438 1.00 0.00 H new ATOM 571 N GLY A 40 6.605 11.957 4.174 1.00 0.00 N ATOM 572 CA GLY A 40 7.266 11.213 3.118 1.00 0.00 C ATOM 573 C GLY A 40 6.739 11.567 1.742 1.00 0.00 C ATOM 574 O GLY A 40 6.289 12.689 1.512 1.00 0.00 O ATOM 0 H GLY A 40 5.681 11.610 4.429 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.337 11.410 3.155 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.132 10.145 3.291 1.00 0.00 H new ATOM 578 N ALA A 41 6.796 10.609 0.823 1.00 0.00 N ATOM 579 CA ALA A 41 6.320 10.825 -0.537 1.00 0.00 C ATOM 580 C ALA A 41 4.880 10.350 -0.697 1.00 0.00 C ATOM 581 O ALA A 41 4.091 10.963 -1.416 1.00 0.00 O ATOM 582 CB ALA A 41 7.226 10.115 -1.532 1.00 0.00 C ATOM 0 H ALA A 41 7.168 9.675 0.996 1.00 0.00 H new ATOM 0 HA ALA A 41 6.346 11.896 -0.739 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.859 10.285 -2.544 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.240 10.505 -1.444 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.229 9.045 -1.322 1.00 0.00 H new ATOM 588 N ALA A 42 4.545 9.255 -0.023 1.00 0.00 N ATOM 589 CA ALA A 42 3.199 8.699 -0.090 1.00 0.00 C ATOM 590 C ALA A 42 2.169 9.689 0.443 1.00 0.00 C ATOM 591 O ALA A 42 1.193 10.009 -0.234 1.00 0.00 O ATOM 592 CB ALA A 42 3.129 7.392 0.686 1.00 0.00 C ATOM 0 H ALA A 42 5.187 8.735 0.576 1.00 0.00 H new ATOM 0 HA ALA A 42 2.966 8.501 -1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.118 6.988 0.628 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.831 6.677 0.258 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.387 7.574 1.729 1.00 0.00 H new ATOM 598 N MET A 43 2.393 10.170 1.662 1.00 0.00 N ATOM 599 CA MET A 43 1.483 11.124 2.285 1.00 0.00 C ATOM 600 C MET A 43 1.075 12.212 1.297 1.00 0.00 C ATOM 601 O MET A 43 -0.113 12.464 1.091 1.00 0.00 O ATOM 602 CB MET A 43 2.138 11.757 3.515 1.00 0.00 C ATOM 603 CG MET A 43 1.145 12.400 4.469 1.00 0.00 C ATOM 604 SD MET A 43 -0.072 11.229 5.100 1.00 0.00 S ATOM 605 CE MET A 43 0.762 10.633 6.569 1.00 0.00 C ATOM 0 H MET A 43 3.196 9.915 2.237 1.00 0.00 H new ATOM 0 HA MET A 43 0.588 10.585 2.595 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.701 10.993 4.051 1.00 0.00 H new ATOM 0 HB3 MET A 43 2.855 12.510 3.188 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.686 12.842 5.306 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.630 13.213 3.957 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.615 9.557 6.660 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.828 10.848 6.495 1.00 0.00 H new ATOM 0 HE3 MET A 43 0.352 11.131 7.448 1.00 0.00 H new ATOM 615 N LYS A 44 2.065 12.853 0.687 1.00 0.00 N ATOM 616 CA LYS A 44 1.810 13.913 -0.281 1.00 0.00 C ATOM 617 C LYS A 44 0.813 13.453 -1.341 1.00 0.00 C ATOM 618 O LYS A 44 -0.027 14.229 -1.794 1.00 0.00 O ATOM 619 CB LYS A 44 3.116 14.348 -0.949 1.00 0.00 C ATOM 620 CG LYS A 44 4.009 15.187 -0.051 1.00 0.00 C ATOM 621 CD LYS A 44 5.460 15.131 -0.498 1.00 0.00 C ATOM 622 CE LYS A 44 5.737 16.123 -1.617 1.00 0.00 C ATOM 623 NZ LYS A 44 5.230 15.635 -2.930 1.00 0.00 N ATOM 0 H LYS A 44 3.053 12.657 0.846 1.00 0.00 H new ATOM 0 HA LYS A 44 1.382 14.762 0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.665 13.461 -1.267 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.882 14.917 -1.849 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.665 16.221 -0.058 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.930 14.832 0.976 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.111 15.345 0.349 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.699 14.123 -0.837 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.269 17.078 -1.379 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.810 16.302 -1.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.855 15.971 -3.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.212 14.595 -2.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.268 15.998 -3.087 1.00 0.00 H new ATOM 637 N ALA A 45 0.913 12.186 -1.730 1.00 0.00 N ATOM 638 CA ALA A 45 0.018 11.623 -2.733 1.00 0.00 C ATOM 639 C ALA A 45 -1.407 11.519 -2.201 1.00 0.00 C ATOM 640 O ALA A 45 -2.368 11.506 -2.970 1.00 0.00 O ATOM 641 CB ALA A 45 0.518 10.257 -3.179 1.00 0.00 C ATOM 0 H ALA A 45 1.605 11.531 -1.366 1.00 0.00 H new ATOM 0 HA ALA A 45 0.009 12.293 -3.593 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.160 9.848 -3.928 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.515 10.357 -3.608 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.558 9.586 -2.321 1.00 0.00 H new ATOM 647 N GLY A 46 -1.537 11.445 -0.880 1.00 0.00 N ATOM 648 CA GLY A 46 -2.849 11.342 -0.268 1.00 0.00 C ATOM 649 C GLY A 46 -3.187 9.924 0.145 1.00 0.00 C ATOM 650 O GLY A 46 -4.359 9.563 0.253 1.00 0.00 O ATOM 0 H GLY A 46 -0.757 11.455 -0.223 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.890 11.991 0.607 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.602 11.702 -0.968 1.00 0.00 H new ATOM 654 N VAL A 47 -2.158 9.115 0.375 1.00 0.00 N ATOM 655 CA VAL A 47 -2.351 7.727 0.777 1.00 0.00 C ATOM 656 C VAL A 47 -2.422 7.600 2.295 1.00 0.00 C ATOM 657 O VAL A 47 -1.529 8.054 3.010 1.00 0.00 O ATOM 658 CB VAL A 47 -1.217 6.827 0.251 1.00 0.00 C ATOM 659 CG1 VAL A 47 -1.378 5.406 0.770 1.00 0.00 C ATOM 660 CG2 VAL A 47 -1.185 6.846 -1.270 1.00 0.00 C ATOM 0 H VAL A 47 -1.182 9.397 0.290 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.296 7.400 0.342 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.268 7.217 0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.568 4.785 0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.348 5.411 1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.333 5.002 0.435 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.378 6.205 -1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.136 6.481 -1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.018 7.865 -1.618 1.00 0.00 H new ATOM 670 N LYS A 48 -3.491 6.978 2.781 1.00 0.00 N ATOM 671 CA LYS A 48 -3.680 6.788 4.215 1.00 0.00 C ATOM 672 C LYS A 48 -3.860 5.311 4.549 1.00 0.00 C ATOM 673 O LYS A 48 -4.059 4.484 3.659 1.00 0.00 O ATOM 674 CB LYS A 48 -4.895 7.583 4.699 1.00 0.00 C ATOM 675 CG LYS A 48 -4.749 9.085 4.523 1.00 0.00 C ATOM 676 CD LYS A 48 -6.101 9.778 4.502 1.00 0.00 C ATOM 677 CE LYS A 48 -6.781 9.631 3.149 1.00 0.00 C ATOM 678 NZ LYS A 48 -8.144 10.229 3.146 1.00 0.00 N ATOM 0 H LYS A 48 -4.240 6.597 2.203 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.788 7.152 4.725 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.778 7.246 4.157 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.065 7.364 5.753 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.144 9.490 5.334 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.218 9.293 3.594 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.739 9.357 5.279 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.973 10.835 4.733 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.172 10.111 2.383 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.847 8.575 2.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.574 10.108 2.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.733 9.754 3.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.079 11.243 3.369 1.00 0.00 H new ATOM 692 N GLU A 49 -3.790 4.987 5.836 1.00 0.00 N ATOM 693 CA GLU A 49 -3.946 3.609 6.286 1.00 0.00 C ATOM 694 C GLU A 49 -5.312 3.058 5.888 1.00 0.00 C ATOM 695 O GLU A 49 -6.347 3.628 6.231 1.00 0.00 O ATOM 696 CB GLU A 49 -3.771 3.522 7.804 1.00 0.00 C ATOM 697 CG GLU A 49 -2.409 3.991 8.288 1.00 0.00 C ATOM 698 CD GLU A 49 -2.386 4.280 9.776 1.00 0.00 C ATOM 699 OE1 GLU A 49 -2.591 3.336 10.567 1.00 0.00 O ATOM 700 OE2 GLU A 49 -2.163 5.451 10.149 1.00 0.00 O ATOM 0 H GLU A 49 -3.626 5.660 6.585 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.176 3.007 5.804 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.544 4.121 8.285 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.924 2.490 8.120 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.664 3.229 8.058 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.124 4.891 7.743 1.00 0.00 H new ATOM 707 N GLY A 50 -5.306 1.945 5.161 1.00 0.00 N ATOM 708 CA GLY A 50 -6.550 1.335 4.728 1.00 0.00 C ATOM 709 C GLY A 50 -6.669 1.273 3.218 1.00 0.00 C ATOM 710 O GLY A 50 -7.660 0.770 2.687 1.00 0.00 O ATOM 0 H GLY A 50 -4.462 1.455 4.864 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.619 0.327 5.137 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.389 1.901 5.133 1.00 0.00 H new ATOM 714 N ASP A 51 -5.659 1.787 2.524 1.00 0.00 N ATOM 715 CA ASP A 51 -5.655 1.788 1.066 1.00 0.00 C ATOM 716 C ASP A 51 -5.201 0.437 0.523 1.00 0.00 C ATOM 717 O ASP A 51 -4.190 -0.111 0.962 1.00 0.00 O ATOM 718 CB ASP A 51 -4.744 2.897 0.538 1.00 0.00 C ATOM 719 CG ASP A 51 -5.479 4.209 0.348 1.00 0.00 C ATOM 720 OD1 ASP A 51 -6.623 4.182 -0.154 1.00 0.00 O ATOM 721 OD2 ASP A 51 -4.912 5.264 0.702 1.00 0.00 O ATOM 0 H ASP A 51 -4.833 2.208 2.948 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.674 1.972 0.724 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.917 3.045 1.232 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.311 2.586 -0.413 1.00 0.00 H new ATOM 726 N ARG A 52 -5.954 -0.094 -0.435 1.00 0.00 N ATOM 727 CA ARG A 52 -5.630 -1.382 -1.036 1.00 0.00 C ATOM 728 C ARG A 52 -4.994 -1.195 -2.410 1.00 0.00 C ATOM 729 O ARG A 52 -5.406 -0.330 -3.184 1.00 0.00 O ATOM 730 CB ARG A 52 -6.888 -2.243 -1.158 1.00 0.00 C ATOM 731 CG ARG A 52 -6.609 -3.737 -1.120 1.00 0.00 C ATOM 732 CD ARG A 52 -7.898 -4.545 -1.138 1.00 0.00 C ATOM 733 NE ARG A 52 -8.698 -4.326 0.065 1.00 0.00 N ATOM 734 CZ ARG A 52 -9.773 -5.042 0.372 1.00 0.00 C ATOM 735 NH1 ARG A 52 -10.175 -6.019 -0.429 1.00 0.00 N ATOM 736 NH2 ARG A 52 -10.448 -4.783 1.485 1.00 0.00 N ATOM 0 H ARG A 52 -6.793 0.348 -0.811 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.914 -1.887 -0.388 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.572 -1.989 -0.348 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.395 -2.000 -2.092 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.992 -4.015 -1.975 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.039 -3.979 -0.223 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.483 -4.274 -2.017 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.660 -5.605 -1.227 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.415 -3.583 0.704 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.658 -6.223 -1.284 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.001 -6.567 -0.190 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.141 -4.034 2.105 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.274 -5.333 1.720 1.00 0.00 H new ATOM 750 N ILE A 53 -3.988 -2.011 -2.707 1.00 0.00 N ATOM 751 CA ILE A 53 -3.296 -1.936 -3.988 1.00 0.00 C ATOM 752 C ILE A 53 -3.620 -3.144 -4.859 1.00 0.00 C ATOM 753 O ILE A 53 -3.396 -4.288 -4.461 1.00 0.00 O ATOM 754 CB ILE A 53 -1.770 -1.848 -3.798 1.00 0.00 C ATOM 755 CG1 ILE A 53 -1.417 -0.696 -2.855 1.00 0.00 C ATOM 756 CG2 ILE A 53 -1.079 -1.669 -5.142 1.00 0.00 C ATOM 757 CD1 ILE A 53 -0.143 -0.925 -2.072 1.00 0.00 C ATOM 0 H ILE A 53 -3.634 -2.732 -2.078 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.645 -1.030 -4.484 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.420 -2.779 -3.352 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.317 0.221 -3.436 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.240 -0.543 -2.157 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.001 -1.608 -4.992 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.309 -2.519 -5.785 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.432 -0.752 -5.613 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.045 -0.069 -1.425 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.246 -1.824 -1.464 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.691 -1.048 -2.763 1.00 0.00 H new ATOM 769 N ILE A 54 -4.146 -2.883 -6.051 1.00 0.00 N ATOM 770 CA ILE A 54 -4.498 -3.949 -6.981 1.00 0.00 C ATOM 771 C ILE A 54 -3.441 -4.100 -8.070 1.00 0.00 C ATOM 772 O ILE A 54 -3.012 -5.210 -8.385 1.00 0.00 O ATOM 773 CB ILE A 54 -5.866 -3.693 -7.640 1.00 0.00 C ATOM 774 CG1 ILE A 54 -6.833 -3.070 -6.632 1.00 0.00 C ATOM 775 CG2 ILE A 54 -6.435 -4.988 -8.199 1.00 0.00 C ATOM 776 CD1 ILE A 54 -8.251 -2.957 -7.146 1.00 0.00 C ATOM 0 H ILE A 54 -4.338 -1.942 -6.396 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.551 -4.870 -6.400 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.731 -2.993 -8.465 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.832 -3.669 -5.721 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.473 -2.077 -6.361 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.402 -4.791 -8.662 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.752 -5.393 -8.945 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.560 -5.709 -7.391 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.881 -2.507 -6.379 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.265 -2.333 -8.040 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.630 -3.950 -7.390 1.00 0.00 H new ATOM 788 N LYS A 55 -3.024 -2.975 -8.641 1.00 0.00 N ATOM 789 CA LYS A 55 -2.015 -2.979 -9.694 1.00 0.00 C ATOM 790 C LYS A 55 -0.760 -2.235 -9.248 1.00 0.00 C ATOM 791 O LYS A 55 -0.842 -1.217 -8.559 1.00 0.00 O ATOM 792 CB LYS A 55 -2.574 -2.341 -10.967 1.00 0.00 C ATOM 793 CG LYS A 55 -1.822 -2.737 -12.226 1.00 0.00 C ATOM 794 CD LYS A 55 -2.556 -2.288 -13.479 1.00 0.00 C ATOM 795 CE LYS A 55 -2.230 -0.845 -13.829 1.00 0.00 C ATOM 796 NZ LYS A 55 -2.795 -0.454 -15.150 1.00 0.00 N ATOM 0 H LYS A 55 -3.369 -2.048 -8.392 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.747 -4.015 -9.902 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.621 -2.623 -11.075 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.545 -1.256 -10.863 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.825 -2.296 -12.209 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.691 -3.819 -12.248 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.285 -2.936 -14.313 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.631 -2.393 -13.330 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.624 -0.186 -13.056 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.148 -0.710 -13.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.551 0.537 -15.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.400 -1.066 -15.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.830 -0.559 -15.130 1.00 0.00 H new ATOM 810 N VAL A 56 0.400 -2.747 -9.646 1.00 0.00 N ATOM 811 CA VAL A 56 1.671 -2.129 -9.290 1.00 0.00 C ATOM 812 C VAL A 56 2.646 -2.163 -10.461 1.00 0.00 C ATOM 813 O VAL A 56 3.197 -3.212 -10.792 1.00 0.00 O ATOM 814 CB VAL A 56 2.315 -2.828 -8.078 1.00 0.00 C ATOM 815 CG1 VAL A 56 3.727 -2.310 -7.850 1.00 0.00 C ATOM 816 CG2 VAL A 56 1.460 -2.635 -6.835 1.00 0.00 C ATOM 0 H VAL A 56 0.486 -3.589 -10.216 1.00 0.00 H new ATOM 0 HA VAL A 56 1.457 -1.092 -9.030 1.00 0.00 H new ATOM 0 HB VAL A 56 2.375 -3.896 -8.287 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.166 -2.816 -6.990 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.334 -2.506 -8.734 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.695 -1.237 -7.663 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.930 -3.136 -5.989 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.365 -1.571 -6.620 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.471 -3.060 -7.004 1.00 0.00 H new ATOM 826 N ASN A 57 2.856 -1.008 -11.084 1.00 0.00 N ATOM 827 CA ASN A 57 3.765 -0.906 -12.219 1.00 0.00 C ATOM 828 C ASN A 57 3.274 -1.754 -13.388 1.00 0.00 C ATOM 829 O ASN A 57 4.070 -2.300 -14.151 1.00 0.00 O ATOM 830 CB ASN A 57 5.173 -1.345 -11.812 1.00 0.00 C ATOM 831 CG ASN A 57 5.714 -0.545 -10.643 1.00 0.00 C ATOM 832 OD1 ASN A 57 5.769 -1.035 -9.514 1.00 0.00 O ATOM 833 ND2 ASN A 57 6.115 0.692 -10.908 1.00 0.00 N ATOM 0 H ASN A 57 2.409 -0.130 -10.822 1.00 0.00 H new ATOM 0 HA ASN A 57 3.794 0.136 -12.537 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.159 -2.403 -11.549 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.844 -1.237 -12.664 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.487 1.278 -10.161 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.051 1.056 -11.859 1.00 0.00 H new ATOM 840 N GLY A 58 1.955 -1.858 -13.523 1.00 0.00 N ATOM 841 CA GLY A 58 1.379 -2.640 -14.602 1.00 0.00 C ATOM 842 C GLY A 58 1.197 -4.098 -14.228 1.00 0.00 C ATOM 843 O GLY A 58 0.364 -4.796 -14.806 1.00 0.00 O ATOM 0 H GLY A 58 1.275 -1.415 -12.905 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.414 -2.216 -14.879 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.021 -2.571 -15.480 1.00 0.00 H new ATOM 847 N THR A 59 1.981 -4.561 -13.258 1.00 0.00 N ATOM 848 CA THR A 59 1.904 -5.945 -12.810 1.00 0.00 C ATOM 849 C THR A 59 1.009 -6.077 -11.583 1.00 0.00 C ATOM 850 O THR A 59 1.304 -5.522 -10.525 1.00 0.00 O ATOM 851 CB THR A 59 3.300 -6.505 -12.475 1.00 0.00 C ATOM 852 OG1 THR A 59 4.142 -6.444 -13.632 1.00 0.00 O ATOM 853 CG2 THR A 59 3.204 -7.942 -11.987 1.00 0.00 C ATOM 0 H THR A 59 2.676 -3.997 -12.769 1.00 0.00 H new ATOM 0 HA THR A 59 1.477 -6.520 -13.632 1.00 0.00 H new ATOM 0 HB THR A 59 3.730 -5.896 -11.680 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.028 -6.800 -13.411 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.202 -8.316 -11.757 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.586 -7.981 -11.090 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.755 -8.561 -12.764 1.00 0.00 H new ATOM 861 N MET A 60 -0.085 -6.817 -11.732 1.00 0.00 N ATOM 862 CA MET A 60 -1.022 -7.023 -10.634 1.00 0.00 C ATOM 863 C MET A 60 -0.378 -7.834 -9.514 1.00 0.00 C ATOM 864 O MET A 60 0.303 -8.828 -9.766 1.00 0.00 O ATOM 865 CB MET A 60 -2.280 -7.735 -11.136 1.00 0.00 C ATOM 866 CG MET A 60 -2.007 -9.110 -11.723 1.00 0.00 C ATOM 867 SD MET A 60 -3.488 -9.882 -12.403 1.00 0.00 S ATOM 868 CE MET A 60 -4.768 -8.982 -11.533 1.00 0.00 C ATOM 0 H MET A 60 -0.344 -7.283 -12.601 1.00 0.00 H new ATOM 0 HA MET A 60 -1.299 -6.046 -10.238 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.985 -7.835 -10.311 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.761 -7.115 -11.893 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.255 -9.023 -12.507 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.589 -9.754 -10.950 1.00 0.00 H new ATOM 0 HE1 MET A 60 -5.744 -9.382 -11.807 1.00 0.00 H new ATOM 0 HE2 MET A 60 -4.621 -9.088 -10.458 1.00 0.00 H new ATOM 0 HE3 MET A 60 -4.719 -7.927 -11.804 1.00 0.00 H new ATOM 878 N VAL A 61 -0.597 -7.403 -8.275 1.00 0.00 N ATOM 879 CA VAL A 61 -0.039 -8.089 -7.117 1.00 0.00 C ATOM 880 C VAL A 61 -1.138 -8.712 -6.264 1.00 0.00 C ATOM 881 O VAL A 61 -0.887 -9.186 -5.155 1.00 0.00 O ATOM 882 CB VAL A 61 0.792 -7.131 -6.244 1.00 0.00 C ATOM 883 CG1 VAL A 61 1.885 -6.468 -7.069 1.00 0.00 C ATOM 884 CG2 VAL A 61 -0.105 -6.087 -5.596 1.00 0.00 C ATOM 0 H VAL A 61 -1.157 -6.581 -8.049 1.00 0.00 H new ATOM 0 HA VAL A 61 0.610 -8.877 -7.499 1.00 0.00 H new ATOM 0 HB VAL A 61 1.268 -7.710 -5.453 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.462 -5.795 -6.435 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.544 -7.232 -7.481 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.433 -5.902 -7.883 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.499 -5.418 -4.983 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.611 -5.511 -6.371 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.847 -6.583 -4.970 1.00 0.00 H new ATOM 894 N THR A 62 -2.360 -8.709 -6.788 1.00 0.00 N ATOM 895 CA THR A 62 -3.499 -9.273 -6.076 1.00 0.00 C ATOM 896 C THR A 62 -3.183 -10.669 -5.550 1.00 0.00 C ATOM 897 O THR A 62 -2.645 -11.507 -6.272 1.00 0.00 O ATOM 898 CB THR A 62 -4.746 -9.347 -6.977 1.00 0.00 C ATOM 899 OG1 THR A 62 -4.527 -10.281 -8.040 1.00 0.00 O ATOM 900 CG2 THR A 62 -5.075 -7.980 -7.557 1.00 0.00 C ATOM 0 H THR A 62 -2.586 -8.322 -7.704 1.00 0.00 H new ATOM 0 HA THR A 62 -3.706 -8.609 -5.237 1.00 0.00 H new ATOM 0 HB THR A 62 -5.588 -9.679 -6.369 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.866 -10.948 -7.759 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.959 -8.056 -8.190 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.269 -7.278 -6.746 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.233 -7.625 -8.151 1.00 0.00 H new ATOM 908 N ASN A 63 -3.521 -10.911 -4.288 1.00 0.00 N ATOM 909 CA ASN A 63 -3.273 -12.207 -3.666 1.00 0.00 C ATOM 910 C ASN A 63 -1.798 -12.586 -3.768 1.00 0.00 C ATOM 911 O ASN A 63 -1.459 -13.703 -4.158 1.00 0.00 O ATOM 912 CB ASN A 63 -4.135 -13.286 -4.324 1.00 0.00 C ATOM 913 CG ASN A 63 -5.607 -13.131 -3.995 1.00 0.00 C ATOM 914 OD1 ASN A 63 -6.111 -13.740 -3.051 1.00 0.00 O ATOM 915 ND2 ASN A 63 -6.304 -12.312 -4.774 1.00 0.00 N ATOM 0 H ASN A 63 -3.967 -10.228 -3.676 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.539 -12.133 -2.612 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -4.001 -13.245 -5.405 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -3.794 -14.269 -3.998 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.299 -12.167 -4.601 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.845 -11.828 -5.545 1.00 0.00 H new ATOM 922 N SER A 64 -0.926 -11.647 -3.414 1.00 0.00 N ATOM 923 CA SER A 64 0.513 -11.881 -3.469 1.00 0.00 C ATOM 924 C SER A 64 1.175 -11.502 -2.148 1.00 0.00 C ATOM 925 O SER A 64 0.788 -10.526 -1.504 1.00 0.00 O ATOM 926 CB SER A 64 1.137 -11.082 -4.614 1.00 0.00 C ATOM 927 OG SER A 64 2.285 -11.737 -5.126 1.00 0.00 O ATOM 0 H SER A 64 -1.190 -10.718 -3.086 1.00 0.00 H new ATOM 0 HA SER A 64 0.678 -12.944 -3.646 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.405 -10.949 -5.410 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.409 -10.087 -4.262 1.00 0.00 H new ATOM 0 HG SER A 64 2.665 -11.207 -5.858 1.00 0.00 H new ATOM 933 N SER A 65 2.176 -12.280 -1.750 1.00 0.00 N ATOM 934 CA SER A 65 2.891 -12.029 -0.504 1.00 0.00 C ATOM 935 C SER A 65 3.590 -10.673 -0.543 1.00 0.00 C ATOM 936 O SER A 65 4.224 -10.317 -1.537 1.00 0.00 O ATOM 937 CB SER A 65 3.915 -13.136 -0.247 1.00 0.00 C ATOM 938 OG SER A 65 5.075 -12.952 -1.040 1.00 0.00 O ATOM 0 H SER A 65 2.511 -13.090 -2.272 1.00 0.00 H new ATOM 0 HA SER A 65 2.164 -12.021 0.308 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.189 -13.144 0.808 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.470 -14.106 -0.468 1.00 0.00 H new ATOM 0 HG SER A 65 5.715 -13.671 -0.856 1.00 0.00 H new ATOM 944 N HIS A 66 3.470 -9.922 0.547 1.00 0.00 N ATOM 945 CA HIS A 66 4.091 -8.605 0.639 1.00 0.00 C ATOM 946 C HIS A 66 5.451 -8.595 -0.052 1.00 0.00 C ATOM 947 O HIS A 66 5.743 -7.712 -0.859 1.00 0.00 O ATOM 948 CB HIS A 66 4.247 -8.193 2.104 1.00 0.00 C ATOM 949 CG HIS A 66 5.236 -7.088 2.313 1.00 0.00 C ATOM 950 ND1 HIS A 66 5.305 -5.976 1.500 1.00 0.00 N ATOM 951 CD2 HIS A 66 6.199 -6.927 3.250 1.00 0.00 C ATOM 952 CE1 HIS A 66 6.268 -5.179 1.928 1.00 0.00 C ATOM 953 NE2 HIS A 66 6.826 -5.733 2.989 1.00 0.00 N ATOM 0 H HIS A 66 2.949 -10.202 1.378 1.00 0.00 H new ATOM 0 HA HIS A 66 3.442 -7.889 0.134 1.00 0.00 H new ATOM 0 HB2 HIS A 66 3.277 -7.879 2.490 1.00 0.00 H new ATOM 0 HB3 HIS A 66 4.556 -9.061 2.686 1.00 0.00 H new ATOM 0 HD2 HIS A 66 6.431 -7.610 4.054 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.551 -4.235 1.486 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.597 -5.338 3.527 1.00 0.00 H new ATOM 962 N LEU A 67 6.280 -9.582 0.270 1.00 0.00 N ATOM 963 CA LEU A 67 7.610 -9.687 -0.319 1.00 0.00 C ATOM 964 C LEU A 67 7.542 -9.576 -1.839 1.00 0.00 C ATOM 965 O LEU A 67 8.122 -8.665 -2.430 1.00 0.00 O ATOM 966 CB LEU A 67 8.262 -11.013 0.077 1.00 0.00 C ATOM 967 CG LEU A 67 9.075 -11.000 1.372 1.00 0.00 C ATOM 968 CD1 LEU A 67 8.153 -10.967 2.581 1.00 0.00 C ATOM 969 CD2 LEU A 67 9.996 -12.210 1.435 1.00 0.00 C ATOM 0 H LEU A 67 6.054 -10.321 0.936 1.00 0.00 H new ATOM 0 HA LEU A 67 8.215 -8.864 0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.480 -11.766 0.170 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.915 -11.331 -0.736 1.00 0.00 H new ATOM 0 HG LEU A 67 9.689 -10.099 1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.749 -10.958 3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.535 -10.070 2.543 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.513 -11.849 2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.567 -12.185 2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.401 -13.122 1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.681 -12.191 0.587 1.00 0.00 H new ATOM 981 N GLU A 68 6.829 -10.507 -2.465 1.00 0.00 N ATOM 982 CA GLU A 68 6.685 -10.511 -3.916 1.00 0.00 C ATOM 983 C GLU A 68 6.415 -9.103 -4.440 1.00 0.00 C ATOM 984 O GLU A 68 6.952 -8.699 -5.472 1.00 0.00 O ATOM 985 CB GLU A 68 5.552 -11.449 -4.336 1.00 0.00 C ATOM 986 CG GLU A 68 5.932 -12.920 -4.293 1.00 0.00 C ATOM 987 CD GLU A 68 7.073 -13.255 -5.234 1.00 0.00 C ATOM 988 OE1 GLU A 68 6.834 -13.314 -6.458 1.00 0.00 O ATOM 989 OE2 GLU A 68 8.204 -13.458 -4.746 1.00 0.00 O ATOM 0 H GLU A 68 6.342 -11.268 -1.990 1.00 0.00 H new ATOM 0 HA GLU A 68 7.621 -10.867 -4.347 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.695 -11.285 -3.683 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.236 -11.193 -5.347 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.214 -13.189 -3.275 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.063 -13.524 -4.553 1.00 0.00 H new ATOM 996 N VAL A 69 5.579 -8.361 -3.721 1.00 0.00 N ATOM 997 CA VAL A 69 5.237 -6.998 -4.112 1.00 0.00 C ATOM 998 C VAL A 69 6.464 -6.093 -4.080 1.00 0.00 C ATOM 999 O VAL A 69 6.781 -5.425 -5.064 1.00 0.00 O ATOM 1000 CB VAL A 69 4.152 -6.406 -3.193 1.00 0.00 C ATOM 1001 CG1 VAL A 69 3.716 -5.038 -3.694 1.00 0.00 C ATOM 1002 CG2 VAL A 69 2.963 -7.351 -3.096 1.00 0.00 C ATOM 0 H VAL A 69 5.126 -8.680 -2.865 1.00 0.00 H new ATOM 0 HA VAL A 69 4.852 -7.048 -5.131 1.00 0.00 H new ATOM 0 HB VAL A 69 4.573 -6.284 -2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.949 -4.636 -3.032 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.573 -4.365 -3.707 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.313 -5.131 -4.702 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.206 -6.917 -2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.540 -7.507 -4.088 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.290 -8.307 -2.687 1.00 0.00 H new ATOM 1012 N VAL A 70 7.151 -6.077 -2.942 1.00 0.00 N ATOM 1013 CA VAL A 70 8.344 -5.255 -2.782 1.00 0.00 C ATOM 1014 C VAL A 70 9.183 -5.250 -4.055 1.00 0.00 C ATOM 1015 O VAL A 70 9.568 -4.192 -4.554 1.00 0.00 O ATOM 1016 CB VAL A 70 9.213 -5.750 -1.610 1.00 0.00 C ATOM 1017 CG1 VAL A 70 10.542 -5.010 -1.581 1.00 0.00 C ATOM 1018 CG2 VAL A 70 8.472 -5.585 -0.292 1.00 0.00 C ATOM 0 H VAL A 70 6.902 -6.624 -2.118 1.00 0.00 H new ATOM 0 HA VAL A 70 8.004 -4.241 -2.570 1.00 0.00 H new ATOM 0 HB VAL A 70 9.419 -6.811 -1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.142 -5.373 -0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 70 11.076 -5.184 -2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.361 -3.942 -1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.100 -5.939 0.525 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.235 -4.532 -0.137 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.549 -6.165 -0.318 1.00 0.00 H new ATOM 1028 N LYS A 71 9.462 -6.439 -4.578 1.00 0.00 N ATOM 1029 CA LYS A 71 10.254 -6.573 -5.795 1.00 0.00 C ATOM 1030 C LYS A 71 9.856 -5.518 -6.822 1.00 0.00 C ATOM 1031 O LYS A 71 10.712 -4.914 -7.470 1.00 0.00 O ATOM 1032 CB LYS A 71 10.079 -7.972 -6.390 1.00 0.00 C ATOM 1033 CG LYS A 71 11.065 -8.992 -5.848 1.00 0.00 C ATOM 1034 CD LYS A 71 10.678 -9.456 -4.454 1.00 0.00 C ATOM 1035 CE LYS A 71 11.653 -10.494 -3.921 1.00 0.00 C ATOM 1036 NZ LYS A 71 11.077 -11.264 -2.784 1.00 0.00 N ATOM 0 H LYS A 71 9.151 -7.324 -4.178 1.00 0.00 H new ATOM 0 HA LYS A 71 11.302 -6.424 -5.535 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.065 -8.318 -6.190 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.189 -7.913 -7.473 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.108 -9.850 -6.519 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.064 -8.556 -5.823 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.651 -8.600 -3.779 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.673 -9.877 -4.476 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.927 -11.180 -4.722 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.569 -10.000 -3.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.772 -11.961 -2.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.839 -10.613 -2.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.217 -11.757 -3.099 1.00 0.00 H new ATOM 1050 N LEU A 72 8.553 -5.301 -6.965 1.00 0.00 N ATOM 1051 CA LEU A 72 8.042 -4.317 -7.913 1.00 0.00 C ATOM 1052 C LEU A 72 8.350 -2.898 -7.446 1.00 0.00 C ATOM 1053 O LEU A 72 8.700 -2.032 -8.248 1.00 0.00 O ATOM 1054 CB LEU A 72 6.532 -4.490 -8.093 1.00 0.00 C ATOM 1055 CG LEU A 72 6.089 -5.692 -8.927 1.00 0.00 C ATOM 1056 CD1 LEU A 72 4.637 -6.038 -8.635 1.00 0.00 C ATOM 1057 CD2 LEU A 72 6.285 -5.413 -10.410 1.00 0.00 C ATOM 0 H LEU A 72 7.832 -5.793 -6.437 1.00 0.00 H new ATOM 0 HA LEU A 72 8.538 -4.480 -8.870 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.075 -4.570 -7.106 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.136 -3.586 -8.556 1.00 0.00 H new ATOM 0 HG LEU A 72 6.707 -6.547 -8.654 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.339 -6.896 -9.238 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.526 -6.281 -7.578 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.004 -5.185 -8.880 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.964 -6.279 -10.989 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.693 -4.545 -10.698 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.339 -5.215 -10.607 1.00 0.00 H new ATOM 1069 N ILE A 73 8.220 -2.669 -6.144 1.00 0.00 N ATOM 1070 CA ILE A 73 8.489 -1.356 -5.569 1.00 0.00 C ATOM 1071 C ILE A 73 9.930 -0.928 -5.827 1.00 0.00 C ATOM 1072 O ILE A 73 10.185 0.009 -6.584 1.00 0.00 O ATOM 1073 CB ILE A 73 8.223 -1.340 -4.053 1.00 0.00 C ATOM 1074 CG1 ILE A 73 6.727 -1.499 -3.773 1.00 0.00 C ATOM 1075 CG2 ILE A 73 8.749 -0.052 -3.436 1.00 0.00 C ATOM 1076 CD1 ILE A 73 6.406 -1.719 -2.311 1.00 0.00 C ATOM 0 H ILE A 73 7.930 -3.375 -5.467 1.00 0.00 H new ATOM 0 HA ILE A 73 7.812 -0.654 -6.055 1.00 0.00 H new ATOM 0 HB ILE A 73 8.749 -2.179 -3.598 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.204 -0.609 -4.122 1.00 0.00 H new ATOM 0 HG13 ILE A 73 6.345 -2.340 -4.351 1.00 0.00 H new ATOM 0 HG21 ILE A 73 8.553 -0.056 -2.364 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.823 0.022 -3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.248 0.801 -3.893 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.328 -1.823 -2.187 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.901 -2.625 -1.962 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.758 -0.867 -1.729 1.00 0.00 H new ATOM 1088 N LYS A 74 10.869 -1.621 -5.192 1.00 0.00 N ATOM 1089 CA LYS A 74 12.286 -1.316 -5.353 1.00 0.00 C ATOM 1090 C LYS A 74 12.607 -0.974 -6.805 1.00 0.00 C ATOM 1091 O LYS A 74 13.203 0.065 -7.090 1.00 0.00 O ATOM 1092 CB LYS A 74 13.139 -2.502 -4.897 1.00 0.00 C ATOM 1093 CG LYS A 74 13.147 -2.701 -3.391 1.00 0.00 C ATOM 1094 CD LYS A 74 14.004 -3.891 -2.991 1.00 0.00 C ATOM 1095 CE LYS A 74 15.481 -3.531 -2.967 1.00 0.00 C ATOM 1096 NZ LYS A 74 15.810 -2.611 -1.843 1.00 0.00 N ATOM 0 H LYS A 74 10.674 -2.398 -4.561 1.00 0.00 H new ATOM 0 HA LYS A 74 12.518 -0.450 -4.734 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.769 -3.410 -5.373 1.00 0.00 H new ATOM 0 HB3 LYS A 74 14.163 -2.356 -5.241 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.524 -1.801 -2.906 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.127 -2.851 -3.037 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.699 -4.246 -2.007 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.840 -4.711 -3.690 1.00 0.00 H new ATOM 0 HE2 LYS A 74 16.075 -4.441 -2.877 1.00 0.00 H new ATOM 0 HE3 LYS A 74 15.756 -3.063 -3.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.835 -2.628 -1.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.517 -1.644 -2.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.308 -2.918 -0.985 1.00 0.00 H new ATOM 1110 N SER A 75 12.208 -1.854 -7.718 1.00 0.00 N ATOM 1111 CA SER A 75 12.455 -1.646 -9.140 1.00 0.00 C ATOM 1112 C SER A 75 12.129 -0.211 -9.543 1.00 0.00 C ATOM 1113 O SER A 75 10.965 0.149 -9.712 1.00 0.00 O ATOM 1114 CB SER A 75 11.624 -2.623 -9.972 1.00 0.00 C ATOM 1115 OG SER A 75 11.722 -2.328 -11.355 1.00 0.00 O ATOM 0 H SER A 75 11.712 -2.718 -7.498 1.00 0.00 H new ATOM 0 HA SER A 75 13.513 -1.827 -9.330 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.965 -3.642 -9.789 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.581 -2.575 -9.660 1.00 0.00 H new ATOM 0 HG SER A 75 11.183 -2.968 -11.865 1.00 0.00 H new ATOM 1121 N GLY A 76 13.168 0.605 -9.697 1.00 0.00 N ATOM 1122 CA GLY A 76 12.972 1.991 -10.079 1.00 0.00 C ATOM 1123 C GLY A 76 12.897 2.918 -8.882 1.00 0.00 C ATOM 1124 O GLY A 76 12.707 2.469 -7.752 1.00 0.00 O ATOM 0 H GLY A 76 14.141 0.331 -9.564 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.790 2.305 -10.727 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.054 2.078 -10.660 1.00 0.00 H new ATOM 1128 N ALA A 77 13.048 4.215 -9.130 1.00 0.00 N ATOM 1129 CA ALA A 77 12.996 5.207 -8.063 1.00 0.00 C ATOM 1130 C ALA A 77 11.612 5.255 -7.425 1.00 0.00 C ATOM 1131 O ALA A 77 11.476 5.153 -6.205 1.00 0.00 O ATOM 1132 CB ALA A 77 13.379 6.579 -8.599 1.00 0.00 C ATOM 0 H ALA A 77 13.207 4.603 -10.060 1.00 0.00 H new ATOM 0 HA ALA A 77 13.712 4.916 -7.295 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.336 7.310 -7.792 1.00 0.00 H new ATOM 0 HB2 ALA A 77 14.391 6.543 -9.002 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.685 6.868 -9.388 1.00 0.00 H new ATOM 1138 N TYR A 78 10.587 5.410 -8.256 1.00 0.00 N ATOM 1139 CA TYR A 78 9.214 5.475 -7.771 1.00 0.00 C ATOM 1140 C TYR A 78 8.467 4.180 -8.077 1.00 0.00 C ATOM 1141 O TYR A 78 8.975 3.308 -8.783 1.00 0.00 O ATOM 1142 CB TYR A 78 8.482 6.660 -8.404 1.00 0.00 C ATOM 1143 CG TYR A 78 8.867 6.908 -9.846 1.00 0.00 C ATOM 1144 CD1 TYR A 78 8.187 6.283 -10.884 1.00 0.00 C ATOM 1145 CD2 TYR A 78 9.910 7.768 -10.169 1.00 0.00 C ATOM 1146 CE1 TYR A 78 8.535 6.507 -12.202 1.00 0.00 C ATOM 1147 CE2 TYR A 78 10.264 7.998 -11.484 1.00 0.00 C ATOM 1148 CZ TYR A 78 9.574 7.365 -12.497 1.00 0.00 C ATOM 1149 OH TYR A 78 9.924 7.592 -13.808 1.00 0.00 O ATOM 0 H TYR A 78 10.681 5.493 -9.268 1.00 0.00 H new ATOM 0 HA TYR A 78 9.244 5.610 -6.690 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.408 6.485 -8.348 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.689 7.558 -7.822 1.00 0.00 H new ATOM 0 HD1 TYR A 78 7.373 5.611 -10.657 1.00 0.00 H new ATOM 0 HD2 TYR A 78 10.453 8.265 -9.378 1.00 0.00 H new ATOM 0 HE1 TYR A 78 7.996 6.013 -12.997 1.00 0.00 H new ATOM 0 HE2 TYR A 78 11.077 8.670 -11.718 1.00 0.00 H new ATOM 0 HH TYR A 78 10.674 8.222 -13.842 1.00 0.00 H new ATOM 1159 N VAL A 79 7.257 4.061 -7.540 1.00 0.00 N ATOM 1160 CA VAL A 79 6.438 2.875 -7.755 1.00 0.00 C ATOM 1161 C VAL A 79 4.981 3.250 -8.002 1.00 0.00 C ATOM 1162 O VAL A 79 4.359 3.932 -7.189 1.00 0.00 O ATOM 1163 CB VAL A 79 6.512 1.915 -6.553 1.00 0.00 C ATOM 1164 CG1 VAL A 79 6.331 2.677 -5.249 1.00 0.00 C ATOM 1165 CG2 VAL A 79 5.471 0.814 -6.685 1.00 0.00 C ATOM 0 H VAL A 79 6.822 4.772 -6.952 1.00 0.00 H new ATOM 0 HA VAL A 79 6.836 2.373 -8.637 1.00 0.00 H new ATOM 0 HB VAL A 79 7.498 1.451 -6.541 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.386 1.982 -4.411 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.118 3.425 -5.153 1.00 0.00 H new ATOM 0 HG13 VAL A 79 5.359 3.170 -5.248 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.538 0.145 -5.827 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.476 1.257 -6.723 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.652 0.250 -7.600 1.00 0.00 H new ATOM 1175 N ALA A 80 4.442 2.799 -9.130 1.00 0.00 N ATOM 1176 CA ALA A 80 3.057 3.085 -9.484 1.00 0.00 C ATOM 1177 C ALA A 80 2.102 2.130 -8.775 1.00 0.00 C ATOM 1178 O ALA A 80 2.355 0.927 -8.696 1.00 0.00 O ATOM 1179 CB ALA A 80 2.869 3.001 -10.991 1.00 0.00 C ATOM 0 H ALA A 80 4.944 2.234 -9.815 1.00 0.00 H new ATOM 0 HA ALA A 80 2.826 4.099 -9.157 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.830 3.217 -11.241 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.518 3.728 -11.480 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.124 1.998 -11.334 1.00 0.00 H new ATOM 1185 N LEU A 81 1.004 2.673 -8.261 1.00 0.00 N ATOM 1186 CA LEU A 81 0.010 1.870 -7.558 1.00 0.00 C ATOM 1187 C LEU A 81 -1.402 2.247 -7.994 1.00 0.00 C ATOM 1188 O LEU A 81 -1.643 3.359 -8.467 1.00 0.00 O ATOM 1189 CB LEU A 81 0.155 2.052 -6.046 1.00 0.00 C ATOM 1190 CG LEU A 81 1.532 1.737 -5.461 1.00 0.00 C ATOM 1191 CD1 LEU A 81 1.682 2.362 -4.083 1.00 0.00 C ATOM 1192 CD2 LEU A 81 1.752 0.233 -5.394 1.00 0.00 C ATOM 0 H LEU A 81 0.780 3.666 -8.318 1.00 0.00 H new ATOM 0 HA LEU A 81 0.181 0.823 -7.810 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.095 3.084 -5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.581 1.418 -5.552 1.00 0.00 H new ATOM 0 HG LEU A 81 2.291 2.166 -6.116 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.668 2.127 -3.682 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.570 3.443 -4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.916 1.964 -3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.737 0.028 -4.975 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.988 -0.219 -4.762 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.689 -0.189 -6.397 1.00 0.00 H new ATOM 1204 N THR A 82 -2.336 1.314 -7.831 1.00 0.00 N ATOM 1205 CA THR A 82 -3.724 1.548 -8.206 1.00 0.00 C ATOM 1206 C THR A 82 -4.669 1.206 -7.060 1.00 0.00 C ATOM 1207 O THR A 82 -4.960 0.036 -6.809 1.00 0.00 O ATOM 1208 CB THR A 82 -4.118 0.722 -9.445 1.00 0.00 C ATOM 1209 OG1 THR A 82 -3.273 1.062 -10.550 1.00 0.00 O ATOM 1210 CG2 THR A 82 -5.573 0.966 -9.818 1.00 0.00 C ATOM 0 H THR A 82 -2.155 0.389 -7.441 1.00 0.00 H new ATOM 0 HA THR A 82 -3.813 2.608 -8.442 1.00 0.00 H new ATOM 0 HB THR A 82 -3.993 -0.334 -9.205 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.706 0.794 -11.387 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.828 0.372 -10.696 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.215 0.678 -8.986 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.719 2.023 -10.040 1.00 0.00 H new ATOM 1218 N LEU A 83 -5.146 2.234 -6.367 1.00 0.00 N ATOM 1219 CA LEU A 83 -6.060 2.042 -5.246 1.00 0.00 C ATOM 1220 C LEU A 83 -7.512 2.151 -5.702 1.00 0.00 C ATOM 1221 O LEU A 83 -7.829 2.903 -6.624 1.00 0.00 O ATOM 1222 CB LEU A 83 -5.779 3.073 -4.151 1.00 0.00 C ATOM 1223 CG LEU A 83 -4.327 3.531 -4.017 1.00 0.00 C ATOM 1224 CD1 LEU A 83 -4.202 4.607 -2.950 1.00 0.00 C ATOM 1225 CD2 LEU A 83 -3.423 2.350 -3.695 1.00 0.00 C ATOM 0 H LEU A 83 -4.915 3.208 -6.561 1.00 0.00 H new ATOM 0 HA LEU A 83 -5.898 1.041 -4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.400 3.949 -4.337 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -6.097 2.655 -3.196 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.011 3.956 -4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -3.161 4.920 -2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.819 5.463 -3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.537 4.210 -1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.393 2.695 -3.603 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.739 1.896 -2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.489 1.613 -4.495 1.00 0.00 H new ATOM 1237 N LEU A 84 -8.389 1.397 -5.049 1.00 0.00 N ATOM 1238 CA LEU A 84 -9.809 1.410 -5.386 1.00 0.00 C ATOM 1239 C LEU A 84 -10.625 2.073 -4.281 1.00 0.00 C ATOM 1240 O LEU A 84 -10.532 1.694 -3.114 1.00 0.00 O ATOM 1241 CB LEU A 84 -10.310 -0.016 -5.620 1.00 0.00 C ATOM 1242 CG LEU A 84 -11.582 -0.151 -6.459 1.00 0.00 C ATOM 1243 CD1 LEU A 84 -11.652 -1.527 -7.104 1.00 0.00 C ATOM 1244 CD2 LEU A 84 -12.815 0.101 -5.603 1.00 0.00 C ATOM 0 H LEU A 84 -8.143 0.769 -4.284 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.935 1.988 -6.301 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.516 -0.584 -6.106 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.487 -0.481 -4.650 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.554 0.598 -7.250 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.563 -1.605 -7.697 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -10.786 -1.671 -7.750 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.657 -2.293 -6.328 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -13.710 0.001 -6.216 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -12.849 -0.625 -4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -12.770 1.108 -5.188 1.00 0.00 H new