USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 664 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 GLN : amide:sc= 0.942 K(o=-10,f=-15!) USER MOD Set 1.2: A 71 GLN : amide:sc= -11.2! C(o=-10!,f=-15!) USER MOD Set 2.1: A 37 LYS NZ :NH3+ -175:sc= 0.799 (180deg=-0.111) USER MOD Set 2.2: A 56 SER OG : rot 79:sc= 1.39 USER MOD Set 3.1: A 51 MET CE :methyl -152:sc= -0.0936 (180deg=0) USER MOD Set 3.2: A 52 SER OG : rot 171:sc= -1.1 USER MOD Set 4.1: A 15 GLN : amide:sc= -3.07! C(o=-4.7!,f=-6.5!) USER MOD Set 4.2: A 57 THR OG1 : rot 180:sc= -1.65! USER MOD Set 5.1: A 3 GLN : amide:sc= -1.99 K(o=-2.3,f=-6.1!) USER MOD Set 5.2: A 66 GLN : amide:sc= -0.266 K(o=-2.3,f=-3.4) USER MOD Single : A 5 LYS NZ :NH3+ 168:sc= 0.0292 (180deg=-0.113) USER MOD Single : A 11 LYS NZ :NH3+ -146:sc= -5.73! (180deg=-6.79!) USER MOD Single : A 12 THR OG1 : rot 74:sc= 0.141 USER MOD Single : A 24 GLN : amide:sc= -1.49! C(o=-1.5!,f=-9.3!) USER MOD Single : A 27 ASN : amide:sc= -4.3! C(o=-4.3!,f=-3.4!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.347 USER MOD Single : A 40 LYS NZ :NH3+ -168:sc=-0.00766 (180deg=-0.251) USER MOD Single : A 41 LYS NZ :NH3+ 149:sc= 0.146 (180deg=0.00113) USER MOD Single : A 43 ASN : amide:sc= -6.88! C(o=-6.9!,f=-5.5!) USER MOD Single : A 45 LYS NZ :NH3+ 158:sc= -0.634! (180deg=-1.65!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 159:sc= -0.297 (180deg=-1.19) USER MOD Single : A 59 THR OG1 : rot 67:sc= -2.31! USER MOD Single : A 62 THR OG1 : rot 148:sc= -0.868! USER MOD Single : A 76 LYS NZ :NH3+ 174:sc= -0.113 (180deg=-0.171) USER MOD Single : A 80 TYR OH : rot 174:sc= 0.688 USER MOD Single : A 82 GLN : amide:sc= -4.63! C(o=-4.6!,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 -17.188 5.741 -2.352 1.00 0.00 N ATOM 2 CA VAL A 2 -17.830 5.132 -1.193 1.00 0.00 C ATOM 3 C VAL A 2 -16.797 4.288 -0.451 1.00 0.00 C ATOM 4 O VAL A 2 -16.170 3.423 -1.057 1.00 0.00 O ATOM 5 CB VAL A 2 -19.007 4.275 -1.667 1.00 0.00 C ATOM 6 CG1 VAL A 2 -19.844 3.801 -0.483 1.00 0.00 C ATOM 7 CG2 VAL A 2 -19.918 5.077 -2.594 1.00 0.00 C ATOM 0 HA VAL A 2 -18.212 5.895 -0.515 1.00 0.00 H new ATOM 0 HB VAL A 2 -18.590 3.418 -2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -20.674 3.194 -0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -19.223 3.205 0.186 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -20.233 4.665 0.056 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -20.748 4.450 -2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -20.306 5.945 -2.061 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -19.351 5.409 -3.464 1.00 0.00 H new ATOM 19 N GLN A 3 -16.575 4.558 0.835 1.00 0.00 N ATOM 20 CA GLN A 3 -15.510 3.883 1.543 1.00 0.00 C ATOM 21 C GLN A 3 -15.987 2.814 2.516 1.00 0.00 C ATOM 22 O GLN A 3 -16.734 3.096 3.449 1.00 0.00 O ATOM 23 CB GLN A 3 -14.647 4.915 2.266 1.00 0.00 C ATOM 24 CG GLN A 3 -13.427 4.200 2.843 1.00 0.00 C ATOM 25 CD GLN A 3 -12.471 5.162 3.520 1.00 0.00 C ATOM 26 OE1 GLN A 3 -11.380 5.404 3.013 1.00 0.00 O ATOM 27 NE2 GLN A 3 -12.862 5.717 4.662 1.00 0.00 N ATOM 0 H GLN A 3 -17.110 5.226 1.390 1.00 0.00 H new ATOM 0 HA GLN A 3 -14.925 3.352 0.792 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -14.336 5.700 1.577 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -15.216 5.396 3.061 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.754 3.448 3.561 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.905 3.672 2.045 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -13.777 5.491 5.052 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -12.247 6.369 5.149 1.00 0.00 H new ATOM 36 N GLN A 4 -15.482 1.599 2.317 1.00 0.00 N ATOM 37 CA GLN A 4 -15.663 0.479 3.214 1.00 0.00 C ATOM 38 C GLN A 4 -14.273 -0.123 3.402 1.00 0.00 C ATOM 39 O GLN A 4 -13.386 0.086 2.569 1.00 0.00 O ATOM 40 CB GLN A 4 -16.669 -0.512 2.621 1.00 0.00 C ATOM 41 CG GLN A 4 -16.746 -1.844 3.370 1.00 0.00 C ATOM 42 CD GLN A 4 -17.255 -1.685 4.793 1.00 0.00 C ATOM 43 OE1 GLN A 4 -16.664 -0.958 5.587 1.00 0.00 O ATOM 44 NE2 GLN A 4 -18.333 -2.384 5.124 1.00 0.00 N ATOM 0 H GLN A 4 -14.919 1.368 1.499 1.00 0.00 H new ATOM 0 HA GLN A 4 -16.077 0.771 4.179 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -17.657 -0.052 2.616 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -16.403 -0.706 1.582 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -17.402 -2.525 2.827 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -15.757 -2.303 3.391 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -18.791 -2.975 4.430 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -18.704 -2.330 6.073 1.00 0.00 H new ATOM 53 N LYS A 5 -14.081 -0.857 4.491 1.00 0.00 N ATOM 54 CA LYS A 5 -12.815 -1.466 4.820 1.00 0.00 C ATOM 55 C LYS A 5 -13.027 -2.656 5.739 1.00 0.00 C ATOM 56 O LYS A 5 -13.769 -2.569 6.713 1.00 0.00 O ATOM 57 CB LYS A 5 -11.948 -0.413 5.494 1.00 0.00 C ATOM 58 CG LYS A 5 -12.734 0.338 6.569 1.00 0.00 C ATOM 59 CD LYS A 5 -12.012 1.643 6.888 1.00 0.00 C ATOM 60 CE LYS A 5 -12.771 2.451 7.939 1.00 0.00 C ATOM 61 NZ LYS A 5 -12.771 1.760 9.239 1.00 0.00 N ATOM 0 H LYS A 5 -14.815 -1.044 5.174 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.323 -1.830 3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.075 -0.888 5.942 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.580 0.292 4.748 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.747 0.543 6.222 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.823 -0.273 7.467 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.006 1.427 7.248 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.905 2.234 5.979 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.314 3.435 8.046 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.797 2.611 7.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.109 2.410 9.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.399 0.932 9.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.805 1.449 9.467 1.00 0.00 H new ATOM 75 N VAL A 6 -12.370 -3.768 5.433 1.00 0.00 N ATOM 76 CA VAL A 6 -12.429 -4.934 6.289 1.00 0.00 C ATOM 77 C VAL A 6 -11.019 -5.173 6.805 1.00 0.00 C ATOM 78 O VAL A 6 -10.100 -5.390 6.020 1.00 0.00 O ATOM 79 CB VAL A 6 -13.011 -6.134 5.539 1.00 0.00 C ATOM 80 CG1 VAL A 6 -14.471 -5.851 5.197 1.00 0.00 C ATOM 81 CG2 VAL A 6 -12.244 -6.430 4.252 1.00 0.00 C ATOM 0 H VAL A 6 -11.793 -3.882 4.600 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.099 -4.779 7.135 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.928 -7.006 6.187 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -14.891 -6.703 4.662 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -15.034 -5.685 6.115 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.532 -4.962 4.569 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.691 -7.289 3.752 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -12.289 -5.562 3.594 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -11.204 -6.650 4.491 1.00 0.00 H new ATOM 91 N GLU A 7 -10.804 -5.052 8.112 1.00 0.00 N ATOM 92 CA GLU A 7 -9.459 -5.232 8.620 1.00 0.00 C ATOM 93 C GLU A 7 -9.122 -6.703 8.788 1.00 0.00 C ATOM 94 O GLU A 7 -9.988 -7.533 9.058 1.00 0.00 O ATOM 95 CB GLU A 7 -9.241 -4.396 9.888 1.00 0.00 C ATOM 96 CG GLU A 7 -10.161 -4.799 11.042 1.00 0.00 C ATOM 97 CD GLU A 7 -9.624 -6.011 11.795 1.00 0.00 C ATOM 98 OE1 GLU A 7 -8.383 -6.161 11.817 1.00 0.00 O ATOM 99 OE2 GLU A 7 -10.468 -6.758 12.334 1.00 0.00 O ATOM 0 H GLU A 7 -11.516 -4.839 8.810 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.750 -4.855 7.883 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.204 -4.496 10.207 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.402 -3.344 9.654 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.269 -3.961 11.731 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.155 -5.023 10.654 1.00 0.00 H new ATOM 106 N VAL A 8 -7.847 -7.013 8.588 1.00 0.00 N ATOM 107 CA VAL A 8 -7.326 -8.357 8.694 1.00 0.00 C ATOM 108 C VAL A 8 -5.908 -8.260 9.245 1.00 0.00 C ATOM 109 O VAL A 8 -5.336 -7.171 9.283 1.00 0.00 O ATOM 110 CB VAL A 8 -7.284 -8.983 7.296 1.00 0.00 C ATOM 111 CG1 VAL A 8 -8.518 -8.652 6.465 1.00 0.00 C ATOM 112 CG2 VAL A 8 -6.114 -8.411 6.514 1.00 0.00 C ATOM 0 H VAL A 8 -7.139 -6.320 8.344 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.950 -8.968 9.346 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.212 -10.059 7.455 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.433 -9.122 5.485 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.408 -9.026 6.971 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.596 -7.572 6.344 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.087 -8.858 5.520 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.231 -7.331 6.423 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.184 -8.633 7.037 1.00 0.00 H new ATOM 122 N ARG A 9 -5.291 -9.374 9.626 1.00 0.00 N ATOM 123 CA ARG A 9 -3.899 -9.264 9.989 1.00 0.00 C ATOM 124 C ARG A 9 -3.123 -9.357 8.694 1.00 0.00 C ATOM 125 O ARG A 9 -3.336 -10.248 7.875 1.00 0.00 O ATOM 126 CB ARG A 9 -3.469 -10.343 10.969 1.00 0.00 C ATOM 127 CG ARG A 9 -1.951 -10.349 11.141 1.00 0.00 C ATOM 128 CD ARG A 9 -1.507 -11.807 11.256 1.00 0.00 C ATOM 129 NE ARG A 9 -2.024 -12.599 10.126 1.00 0.00 N ATOM 130 CZ ARG A 9 -3.145 -13.336 10.174 1.00 0.00 C ATOM 131 NH1 ARG A 9 -3.827 -13.434 11.321 1.00 0.00 N ATOM 132 NH2 ARG A 9 -3.602 -13.965 9.083 1.00 0.00 N ATOM 0 H ARG A 9 -5.706 -10.304 9.687 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.711 -8.322 10.504 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.948 -10.175 11.934 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.803 -11.318 10.613 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.467 -9.867 10.292 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.664 -9.789 12.031 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.418 -11.860 11.276 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.864 -12.228 12.196 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.497 -12.586 9.253 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.495 -12.950 12.155 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.679 -13.993 11.361 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.097 -13.887 8.200 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.455 -14.521 9.135 1.00 0.00 H new ATOM 146 N LEU A 10 -2.229 -8.401 8.508 1.00 0.00 N ATOM 147 CA LEU A 10 -1.383 -8.298 7.355 1.00 0.00 C ATOM 148 C LEU A 10 -0.367 -9.433 7.393 1.00 0.00 C ATOM 149 O LEU A 10 0.810 -9.205 7.647 1.00 0.00 O ATOM 150 CB LEU A 10 -0.741 -6.920 7.440 1.00 0.00 C ATOM 151 CG LEU A 10 0.117 -6.618 6.227 1.00 0.00 C ATOM 152 CD1 LEU A 10 -0.686 -6.784 4.938 1.00 0.00 C ATOM 153 CD2 LEU A 10 0.593 -5.179 6.385 1.00 0.00 C ATOM 0 H LEU A 10 -2.075 -7.654 9.186 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.916 -8.392 6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.519 -6.162 7.531 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.130 -6.860 8.341 1.00 0.00 H new ATOM 0 HG LEU A 10 0.960 -7.306 6.162 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.049 -6.562 4.082 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.048 -7.809 4.865 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.534 -6.099 4.947 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.218 -4.907 5.535 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.269 -4.513 6.429 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.171 -5.086 7.305 1.00 0.00 H new ATOM 165 N LYS A 11 -0.797 -10.648 7.069 1.00 0.00 N ATOM 166 CA LYS A 11 0.039 -11.834 7.139 1.00 0.00 C ATOM 167 C LYS A 11 1.120 -11.701 6.079 1.00 0.00 C ATOM 168 O LYS A 11 2.287 -11.974 6.339 1.00 0.00 O ATOM 169 CB LYS A 11 -0.853 -13.039 6.843 1.00 0.00 C ATOM 170 CG LYS A 11 -0.096 -14.186 6.204 1.00 0.00 C ATOM 171 CD LYS A 11 -1.088 -14.544 5.115 1.00 0.00 C ATOM 172 CE LYS A 11 -1.210 -13.366 4.154 1.00 0.00 C ATOM 173 NZ LYS A 11 -2.166 -13.607 3.075 1.00 0.00 N ATOM 0 H LYS A 11 -1.747 -10.836 6.747 1.00 0.00 H new ATOM 0 HA LYS A 11 0.505 -11.954 8.117 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.311 -13.383 7.770 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.664 -12.732 6.182 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.873 -13.883 5.808 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.086 -15.009 6.896 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.757 -15.434 4.580 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.059 -14.777 5.551 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.515 -12.480 4.711 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.232 -13.152 3.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.837 -13.136 2.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.246 -14.630 2.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.096 -13.227 3.344 1.00 0.00 H new ATOM 187 N THR A 12 0.721 -11.242 4.898 1.00 0.00 N ATOM 188 CA THR A 12 1.644 -10.956 3.816 1.00 0.00 C ATOM 189 C THR A 12 2.691 -9.933 4.262 1.00 0.00 C ATOM 190 O THR A 12 3.843 -9.928 3.821 1.00 0.00 O ATOM 191 CB THR A 12 0.869 -10.316 2.656 1.00 0.00 C ATOM 192 OG1 THR A 12 -0.266 -11.086 2.322 1.00 0.00 O ATOM 193 CG2 THR A 12 1.765 -10.139 1.431 1.00 0.00 C ATOM 0 H THR A 12 -0.256 -11.059 4.668 1.00 0.00 H new ATOM 0 HA THR A 12 2.124 -11.889 3.520 1.00 0.00 H new ATOM 0 HB THR A 12 0.535 -9.332 2.984 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.953 -10.971 3.011 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.192 -9.684 0.624 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.607 -9.495 1.686 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.137 -11.112 1.108 1.00 0.00 H new ATOM 201 N GLY A 13 2.272 -8.988 5.107 1.00 0.00 N ATOM 202 CA GLY A 13 3.066 -7.805 5.339 1.00 0.00 C ATOM 203 C GLY A 13 2.822 -6.947 4.124 1.00 0.00 C ATOM 204 O GLY A 13 2.074 -5.989 4.231 1.00 0.00 O ATOM 0 H GLY A 13 1.397 -9.028 5.630 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.762 -7.295 6.253 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.123 -8.050 5.447 1.00 0.00 H new ATOM 208 N LEU A 14 3.310 -7.391 2.969 1.00 0.00 N ATOM 209 CA LEU A 14 3.311 -6.696 1.701 1.00 0.00 C ATOM 210 C LEU A 14 4.733 -6.205 1.526 1.00 0.00 C ATOM 211 O LEU A 14 5.052 -5.042 1.735 1.00 0.00 O ATOM 212 CB LEU A 14 2.304 -5.549 1.670 1.00 0.00 C ATOM 213 CG LEU A 14 0.922 -5.969 1.176 1.00 0.00 C ATOM 214 CD1 LEU A 14 0.397 -7.194 1.920 1.00 0.00 C ATOM 215 CD2 LEU A 14 -0.020 -4.802 1.441 1.00 0.00 C ATOM 0 H LEU A 14 3.744 -8.311 2.898 1.00 0.00 H new ATOM 0 HA LEU A 14 3.004 -7.351 0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.212 -5.129 2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.686 -4.757 1.026 1.00 0.00 H new ATOM 0 HG LEU A 14 0.983 -6.225 0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.589 -7.458 1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.080 -8.030 1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.324 -6.970 2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.023 -5.060 1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.042 -4.588 2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.330 -3.922 0.902 1.00 0.00 H new ATOM 227 N GLN A 15 5.601 -7.151 1.185 1.00 0.00 N ATOM 228 CA GLN A 15 7.008 -6.882 1.016 1.00 0.00 C ATOM 229 C GLN A 15 7.261 -6.547 -0.440 1.00 0.00 C ATOM 230 O GLN A 15 7.922 -5.557 -0.743 1.00 0.00 O ATOM 231 CB GLN A 15 7.835 -8.093 1.452 1.00 0.00 C ATOM 232 CG GLN A 15 7.270 -8.747 2.716 1.00 0.00 C ATOM 233 CD GLN A 15 7.022 -7.750 3.837 1.00 0.00 C ATOM 234 OE1 GLN A 15 7.767 -6.791 4.009 1.00 0.00 O ATOM 235 NE2 GLN A 15 5.957 -7.971 4.599 1.00 0.00 N ATOM 0 H GLN A 15 5.340 -8.123 1.020 1.00 0.00 H new ATOM 0 HA GLN A 15 7.307 -6.039 1.639 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.860 -8.825 0.645 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.864 -7.783 1.633 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.335 -9.251 2.471 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.963 -9.513 3.064 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.363 -8.781 4.422 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.733 -7.331 5.361 1.00 0.00 H new ATOM 244 N ALA A 16 6.742 -7.373 -1.351 1.00 0.00 N ATOM 245 CA ALA A 16 6.915 -7.070 -2.754 1.00 0.00 C ATOM 246 C ALA A 16 5.862 -7.736 -3.632 1.00 0.00 C ATOM 247 O ALA A 16 4.683 -7.427 -3.519 1.00 0.00 O ATOM 248 CB ALA A 16 8.345 -7.395 -3.186 1.00 0.00 C ATOM 0 H ALA A 16 6.219 -8.224 -1.145 1.00 0.00 H new ATOM 0 HA ALA A 16 6.759 -6.000 -2.893 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.467 -7.164 -4.244 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.046 -6.799 -2.601 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.543 -8.454 -3.021 1.00 0.00 H new ATOM 254 N ARG A 17 6.293 -8.643 -4.506 1.00 0.00 N ATOM 255 CA ARG A 17 5.529 -9.308 -5.552 1.00 0.00 C ATOM 256 C ARG A 17 4.049 -9.550 -5.243 1.00 0.00 C ATOM 257 O ARG A 17 3.174 -8.958 -5.872 1.00 0.00 O ATOM 258 CB ARG A 17 6.235 -10.624 -5.880 1.00 0.00 C ATOM 259 CG ARG A 17 7.663 -10.369 -6.368 1.00 0.00 C ATOM 260 CD ARG A 17 8.687 -11.131 -5.520 1.00 0.00 C ATOM 261 NE ARG A 17 8.903 -10.495 -4.214 1.00 0.00 N ATOM 262 CZ ARG A 17 8.258 -10.835 -3.088 1.00 0.00 C ATOM 263 NH1 ARG A 17 7.396 -11.850 -3.057 1.00 0.00 N ATOM 264 NH2 ARG A 17 8.434 -10.152 -1.957 1.00 0.00 N ATOM 0 H ARG A 17 7.264 -8.955 -4.498 1.00 0.00 H new ATOM 0 HA ARG A 17 5.505 -8.629 -6.404 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.257 -11.260 -4.995 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.675 -11.161 -6.645 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.753 -10.674 -7.411 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.878 -9.301 -6.328 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.345 -12.155 -5.372 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.634 -11.186 -6.057 1.00 0.00 H new ATOM 0 HE ARG A 17 9.590 -9.743 -4.159 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.213 -12.390 -3.903 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.919 -12.088 -2.187 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.069 -9.354 -1.937 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.934 -10.427 -1.112 1.00 0.00 H new ATOM 278 N PRO A 18 3.759 -10.430 -4.286 1.00 0.00 N ATOM 279 CA PRO A 18 2.421 -10.852 -3.922 1.00 0.00 C ATOM 280 C PRO A 18 1.629 -9.719 -3.290 1.00 0.00 C ATOM 281 O PRO A 18 0.415 -9.626 -3.452 1.00 0.00 O ATOM 282 CB PRO A 18 2.649 -11.966 -2.901 1.00 0.00 C ATOM 283 CG PRO A 18 3.868 -11.406 -2.169 1.00 0.00 C ATOM 284 CD PRO A 18 4.717 -10.916 -3.326 1.00 0.00 C ATOM 0 HA PRO A 18 1.846 -11.173 -4.791 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.794 -12.107 -2.240 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.851 -12.928 -3.372 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.601 -10.600 -1.486 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.378 -12.168 -1.580 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.401 -10.128 -3.012 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.325 -11.719 -3.742 1.00 0.00 H new ATOM 292 N ALA A 19 2.315 -8.863 -2.553 1.00 0.00 N ATOM 293 CA ALA A 19 1.727 -7.743 -1.874 1.00 0.00 C ATOM 294 C ALA A 19 1.367 -6.630 -2.848 1.00 0.00 C ATOM 295 O ALA A 19 0.363 -5.949 -2.668 1.00 0.00 O ATOM 296 CB ALA A 19 2.801 -7.288 -0.937 1.00 0.00 C ATOM 0 H ALA A 19 3.322 -8.938 -2.412 1.00 0.00 H new ATOM 0 HA ALA A 19 0.799 -8.009 -1.367 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.447 -6.429 -0.367 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.054 -8.098 -0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.686 -7.005 -1.507 1.00 0.00 H new ATOM 302 N ALA A 20 2.198 -6.433 -3.869 1.00 0.00 N ATOM 303 CA ALA A 20 1.904 -5.527 -4.962 1.00 0.00 C ATOM 304 C ALA A 20 0.809 -6.187 -5.788 1.00 0.00 C ATOM 305 O ALA A 20 -0.015 -5.496 -6.369 1.00 0.00 O ATOM 306 CB ALA A 20 3.166 -5.266 -5.777 1.00 0.00 C ATOM 0 H ALA A 20 3.099 -6.904 -3.956 1.00 0.00 H new ATOM 0 HA ALA A 20 1.563 -4.554 -4.608 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.936 -4.584 -6.596 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.927 -4.820 -5.137 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.539 -6.207 -6.182 1.00 0.00 H new ATOM 312 N LEU A 21 0.770 -7.524 -5.824 1.00 0.00 N ATOM 313 CA LEU A 21 -0.364 -8.241 -6.388 1.00 0.00 C ATOM 314 C LEU A 21 -1.597 -7.752 -5.634 1.00 0.00 C ATOM 315 O LEU A 21 -2.590 -7.355 -6.240 1.00 0.00 O ATOM 316 CB LEU A 21 -0.172 -9.737 -6.171 1.00 0.00 C ATOM 317 CG LEU A 21 -1.088 -10.584 -7.053 1.00 0.00 C ATOM 318 CD1 LEU A 21 -0.661 -12.042 -6.906 1.00 0.00 C ATOM 319 CD2 LEU A 21 -2.546 -10.452 -6.619 1.00 0.00 C ATOM 0 H LEU A 21 1.513 -8.125 -5.468 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.465 -8.065 -7.459 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.866 -9.999 -6.375 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.361 -9.975 -5.124 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.007 -10.245 -8.086 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.299 -12.672 -7.526 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.376 -12.151 -7.224 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.755 -12.345 -5.863 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.175 -11.066 -7.264 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.650 -10.786 -5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.855 -9.410 -6.696 1.00 0.00 H new ATOM 331 N PHE A 22 -1.497 -7.745 -4.302 1.00 0.00 N ATOM 332 CA PHE A 22 -2.531 -7.191 -3.442 1.00 0.00 C ATOM 333 C PHE A 22 -2.886 -5.768 -3.889 1.00 0.00 C ATOM 334 O PHE A 22 -4.026 -5.523 -4.293 1.00 0.00 O ATOM 335 CB PHE A 22 -2.036 -7.205 -1.993 1.00 0.00 C ATOM 336 CG PHE A 22 -2.715 -6.199 -1.097 1.00 0.00 C ATOM 337 CD1 PHE A 22 -4.065 -6.352 -0.737 1.00 0.00 C ATOM 338 CD2 PHE A 22 -2.052 -4.989 -0.836 1.00 0.00 C ATOM 339 CE1 PHE A 22 -4.721 -5.319 -0.045 1.00 0.00 C ATOM 340 CE2 PHE A 22 -2.734 -3.928 -0.222 1.00 0.00 C ATOM 341 CZ PHE A 22 -4.061 -4.103 0.198 1.00 0.00 C ATOM 0 H PHE A 22 -0.696 -8.124 -3.796 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.434 -7.797 -3.513 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.186 -8.202 -1.579 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.963 -7.015 -1.986 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.595 -7.258 -0.991 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.013 -4.875 -1.109 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.734 -5.461 0.300 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.239 -2.980 -0.073 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.576 -3.302 0.708 1.00 0.00 H new ATOM 351 N VAL A 23 -1.913 -4.847 -3.841 1.00 0.00 N ATOM 352 CA VAL A 23 -2.141 -3.454 -4.165 1.00 0.00 C ATOM 353 C VAL A 23 -2.789 -3.309 -5.537 1.00 0.00 C ATOM 354 O VAL A 23 -3.595 -2.407 -5.713 1.00 0.00 O ATOM 355 CB VAL A 23 -0.854 -2.620 -4.134 1.00 0.00 C ATOM 356 CG1 VAL A 23 0.044 -2.674 -2.892 1.00 0.00 C ATOM 357 CG2 VAL A 23 -0.138 -2.781 -5.464 1.00 0.00 C ATOM 0 H VAL A 23 -0.951 -5.058 -3.575 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.812 -3.075 -3.394 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.182 -1.589 -4.005 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.908 -2.026 -3.039 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.518 -2.336 -2.021 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.381 -3.698 -2.731 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.780 -2.193 -5.457 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.105 -3.832 -5.621 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.785 -2.434 -6.270 1.00 0.00 H new ATOM 367 N GLN A 24 -2.373 -4.110 -6.525 1.00 0.00 N ATOM 368 CA GLN A 24 -2.894 -4.079 -7.878 1.00 0.00 C ATOM 369 C GLN A 24 -4.293 -4.681 -7.972 1.00 0.00 C ATOM 370 O GLN A 24 -5.038 -4.303 -8.861 1.00 0.00 O ATOM 371 CB GLN A 24 -1.879 -4.642 -8.880 1.00 0.00 C ATOM 372 CG GLN A 24 -1.607 -6.138 -8.747 1.00 0.00 C ATOM 373 CD GLN A 24 -2.604 -6.966 -9.541 1.00 0.00 C ATOM 374 OE1 GLN A 24 -2.632 -6.923 -10.766 1.00 0.00 O ATOM 375 NE2 GLN A 24 -3.426 -7.731 -8.840 1.00 0.00 N ATOM 0 H GLN A 24 -1.645 -4.812 -6.392 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.033 -3.037 -8.168 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.237 -4.441 -9.890 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.938 -4.105 -8.763 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.597 -6.356 -9.093 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.653 -6.424 -7.696 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.371 -7.739 -7.822 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.114 -8.312 -9.318 1.00 0.00 H new ATOM 384 N GLU A 25 -4.678 -5.587 -7.071 1.00 0.00 N ATOM 385 CA GLU A 25 -6.037 -6.100 -7.034 1.00 0.00 C ATOM 386 C GLU A 25 -6.896 -4.947 -6.553 1.00 0.00 C ATOM 387 O GLU A 25 -7.818 -4.506 -7.239 1.00 0.00 O ATOM 388 CB GLU A 25 -6.136 -7.254 -6.037 1.00 0.00 C ATOM 389 CG GLU A 25 -5.422 -8.504 -6.530 1.00 0.00 C ATOM 390 CD GLU A 25 -6.208 -9.167 -7.650 1.00 0.00 C ATOM 391 OE1 GLU A 25 -7.411 -9.415 -7.415 1.00 0.00 O ATOM 392 OE2 GLU A 25 -5.597 -9.411 -8.711 1.00 0.00 O ATOM 0 H GLU A 25 -4.062 -5.978 -6.358 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.351 -6.470 -8.010 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.708 -6.945 -5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.186 -7.485 -5.855 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.425 -8.243 -6.884 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.294 -9.205 -5.705 1.00 0.00 H new ATOM 399 N ALA A 26 -6.516 -4.431 -5.380 1.00 0.00 N ATOM 400 CA ALA A 26 -7.084 -3.226 -4.802 1.00 0.00 C ATOM 401 C ALA A 26 -7.154 -2.149 -5.878 1.00 0.00 C ATOM 402 O ALA A 26 -8.163 -1.471 -6.021 1.00 0.00 O ATOM 403 CB ALA A 26 -6.152 -2.752 -3.697 1.00 0.00 C ATOM 0 H ALA A 26 -5.790 -4.853 -4.801 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.081 -3.422 -4.409 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.555 -1.846 -3.245 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.064 -3.529 -2.937 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.168 -2.541 -4.116 1.00 0.00 H new ATOM 409 N ASN A 27 -6.057 -2.037 -6.628 1.00 0.00 N ATOM 410 CA ASN A 27 -5.820 -1.148 -7.748 1.00 0.00 C ATOM 411 C ASN A 27 -6.778 -1.366 -8.905 1.00 0.00 C ATOM 412 O ASN A 27 -7.179 -0.408 -9.558 1.00 0.00 O ATOM 413 CB ASN A 27 -4.442 -1.486 -8.296 1.00 0.00 C ATOM 414 CG ASN A 27 -3.497 -0.299 -8.275 1.00 0.00 C ATOM 415 OD1 ASN A 27 -3.479 0.518 -9.188 1.00 0.00 O ATOM 416 ND2 ASN A 27 -2.688 -0.220 -7.227 1.00 0.00 N ATOM 0 H ASN A 27 -5.243 -2.623 -6.444 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.936 -0.127 -7.383 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.012 -2.298 -7.710 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.541 -1.848 -9.319 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.016 0.544 -7.158 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.738 -0.923 -6.490 1.00 0.00 H new ATOM 423 N ARG A 28 -7.085 -2.633 -9.196 1.00 0.00 N ATOM 424 CA ARG A 28 -7.976 -2.985 -10.299 1.00 0.00 C ATOM 425 C ARG A 28 -9.324 -2.398 -9.946 1.00 0.00 C ATOM 426 O ARG A 28 -10.008 -1.758 -10.743 1.00 0.00 O ATOM 427 CB ARG A 28 -8.089 -4.504 -10.434 1.00 0.00 C ATOM 428 CG ARG A 28 -6.770 -5.112 -10.908 1.00 0.00 C ATOM 429 CD ARG A 28 -6.899 -6.628 -11.032 1.00 0.00 C ATOM 430 NE ARG A 28 -5.594 -7.237 -11.303 1.00 0.00 N ATOM 431 CZ ARG A 28 -5.419 -8.507 -11.691 1.00 0.00 C ATOM 432 NH1 ARG A 28 -6.470 -9.315 -11.863 1.00 0.00 N ATOM 433 NH2 ARG A 28 -4.178 -8.959 -11.887 1.00 0.00 N ATOM 0 H ARG A 28 -6.726 -3.435 -8.678 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.601 -2.601 -11.248 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.369 -4.938 -9.474 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.882 -4.752 -11.140 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.490 -4.684 -11.871 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.974 -4.864 -10.205 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.314 -7.039 -10.112 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.595 -6.875 -11.834 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.764 -6.655 -11.189 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.414 -8.966 -11.699 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.328 -10.281 -12.159 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.381 -8.340 -11.741 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.027 -9.924 -12.183 1.00 0.00 H new ATOM 447 N PHE A 29 -9.664 -2.638 -8.688 1.00 0.00 N ATOM 448 CA PHE A 29 -10.792 -2.060 -8.033 1.00 0.00 C ATOM 449 C PHE A 29 -10.722 -0.545 -8.155 1.00 0.00 C ATOM 450 O PHE A 29 -9.779 0.098 -7.701 1.00 0.00 O ATOM 451 CB PHE A 29 -10.695 -2.554 -6.606 1.00 0.00 C ATOM 452 CG PHE A 29 -11.186 -3.975 -6.509 1.00 0.00 C ATOM 453 CD1 PHE A 29 -12.288 -4.367 -7.285 1.00 0.00 C ATOM 454 CD2 PHE A 29 -10.508 -4.922 -5.725 1.00 0.00 C ATOM 455 CE1 PHE A 29 -12.764 -5.683 -7.227 1.00 0.00 C ATOM 456 CE2 PHE A 29 -11.008 -6.231 -5.635 1.00 0.00 C ATOM 457 CZ PHE A 29 -12.130 -6.611 -6.392 1.00 0.00 C ATOM 0 H PHE A 29 -9.131 -3.267 -8.087 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.753 -2.342 -8.464 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.662 -2.495 -6.263 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.285 -1.913 -5.951 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.772 -3.649 -7.931 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.608 -4.646 -5.195 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.615 -5.980 -7.823 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.530 -6.947 -4.983 1.00 0.00 H new ATOM 0 HZ PHE A 29 -12.504 -7.622 -6.329 1.00 0.00 H new ATOM 467 N THR A 30 -11.762 0.036 -8.742 1.00 0.00 N ATOM 468 CA THR A 30 -11.847 1.463 -9.017 1.00 0.00 C ATOM 469 C THR A 30 -12.228 2.232 -7.746 1.00 0.00 C ATOM 470 O THR A 30 -13.191 2.993 -7.700 1.00 0.00 O ATOM 471 CB THR A 30 -12.856 1.612 -10.153 1.00 0.00 C ATOM 472 OG1 THR A 30 -12.327 1.018 -11.320 1.00 0.00 O ATOM 473 CG2 THR A 30 -13.169 3.069 -10.438 1.00 0.00 C ATOM 0 H THR A 30 -12.586 -0.483 -9.046 1.00 0.00 H new ATOM 0 HA THR A 30 -10.892 1.891 -9.324 1.00 0.00 H new ATOM 0 HB THR A 30 -13.780 1.119 -9.852 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.971 1.108 -12.054 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.891 3.134 -11.252 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.588 3.533 -9.545 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.254 3.589 -10.722 1.00 0.00 H new ATOM 481 N SER A 31 -11.452 2.015 -6.692 1.00 0.00 N ATOM 482 CA SER A 31 -11.684 2.500 -5.363 1.00 0.00 C ATOM 483 C SER A 31 -10.423 3.114 -4.784 1.00 0.00 C ATOM 484 O SER A 31 -9.318 2.644 -5.051 1.00 0.00 O ATOM 485 CB SER A 31 -12.093 1.277 -4.536 1.00 0.00 C ATOM 486 OG SER A 31 -13.056 0.494 -5.232 1.00 0.00 O ATOM 0 H SER A 31 -10.597 1.462 -6.760 1.00 0.00 H new ATOM 0 HA SER A 31 -12.452 3.274 -5.357 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.214 0.670 -4.317 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.504 1.600 -3.579 1.00 0.00 H new ATOM 0 HG SER A 31 -13.302 -0.282 -4.687 1.00 0.00 H new ATOM 492 N ASP A 32 -10.590 4.157 -3.974 1.00 0.00 N ATOM 493 CA ASP A 32 -9.482 4.725 -3.232 1.00 0.00 C ATOM 494 C ASP A 32 -9.188 3.702 -2.145 1.00 0.00 C ATOM 495 O ASP A 32 -9.822 3.698 -1.091 1.00 0.00 O ATOM 496 CB ASP A 32 -9.887 6.067 -2.637 1.00 0.00 C ATOM 497 CG ASP A 32 -10.156 7.114 -3.703 1.00 0.00 C ATOM 498 OD1 ASP A 32 -9.167 7.677 -4.216 1.00 0.00 O ATOM 499 OD2 ASP A 32 -11.358 7.322 -3.984 1.00 0.00 O ATOM 0 H ASP A 32 -11.485 4.622 -3.819 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.607 4.916 -3.852 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.780 5.936 -2.026 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.097 6.421 -1.975 1.00 0.00 H new ATOM 504 N VAL A 33 -8.318 2.756 -2.473 1.00 0.00 N ATOM 505 CA VAL A 33 -8.025 1.640 -1.615 1.00 0.00 C ATOM 506 C VAL A 33 -7.062 2.040 -0.520 1.00 0.00 C ATOM 507 O VAL A 33 -6.042 2.688 -0.754 1.00 0.00 O ATOM 508 CB VAL A 33 -7.521 0.497 -2.479 1.00 0.00 C ATOM 509 CG1 VAL A 33 -7.141 -0.675 -1.588 1.00 0.00 C ATOM 510 CG2 VAL A 33 -8.681 0.138 -3.401 1.00 0.00 C ATOM 0 H VAL A 33 -7.798 2.751 -3.350 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.923 1.302 -1.097 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.636 0.763 -3.057 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.779 -1.498 -2.204 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.357 -0.367 -0.896 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.015 -1.001 -1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.386 -0.683 -4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.541 -0.165 -2.803 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.947 1.005 -4.005 1.00 0.00 H new ATOM 520 N PHE A 34 -7.386 1.612 0.690 1.00 0.00 N ATOM 521 CA PHE A 34 -6.601 1.936 1.852 1.00 0.00 C ATOM 522 C PHE A 34 -6.342 0.705 2.695 1.00 0.00 C ATOM 523 O PHE A 34 -6.956 -0.339 2.508 1.00 0.00 O ATOM 524 CB PHE A 34 -7.289 3.041 2.653 1.00 0.00 C ATOM 525 CG PHE A 34 -7.452 4.327 1.875 1.00 0.00 C ATOM 526 CD1 PHE A 34 -6.318 4.945 1.323 1.00 0.00 C ATOM 527 CD2 PHE A 34 -8.726 4.882 1.665 1.00 0.00 C ATOM 528 CE1 PHE A 34 -6.454 6.107 0.544 1.00 0.00 C ATOM 529 CE2 PHE A 34 -8.864 6.035 0.871 1.00 0.00 C ATOM 530 CZ PHE A 34 -7.730 6.647 0.311 1.00 0.00 C ATOM 0 H PHE A 34 -8.201 1.031 0.885 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.628 2.308 1.529 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.270 2.691 2.974 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.711 3.241 3.555 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.338 4.526 1.498 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -9.596 4.425 2.112 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.580 6.584 0.126 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.844 6.451 0.691 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.839 7.532 -0.298 1.00 0.00 H new ATOM 540 N LEU A 35 -5.383 0.811 3.597 1.00 0.00 N ATOM 541 CA LEU A 35 -5.068 -0.239 4.530 1.00 0.00 C ATOM 542 C LEU A 35 -4.782 0.469 5.839 1.00 0.00 C ATOM 543 O LEU A 35 -3.947 1.371 5.867 1.00 0.00 O ATOM 544 CB LEU A 35 -3.889 -1.055 4.015 1.00 0.00 C ATOM 545 CG LEU A 35 -3.798 -2.350 4.815 1.00 0.00 C ATOM 546 CD1 LEU A 35 -5.144 -3.070 4.774 1.00 0.00 C ATOM 547 CD2 LEU A 35 -2.740 -3.256 4.196 1.00 0.00 C ATOM 0 H LEU A 35 -4.798 1.641 3.698 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.877 -0.958 4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.017 -1.275 2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.965 -0.486 4.113 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.532 -2.117 5.846 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.079 -3.996 5.346 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.913 -2.429 5.207 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.403 -3.299 3.740 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.674 -4.182 4.767 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.014 -3.484 3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.774 -2.751 4.212 1.00 0.00 H new ATOM 559 N GLU A 36 -5.527 0.131 6.885 1.00 0.00 N ATOM 560 CA GLU A 36 -5.417 0.834 8.149 1.00 0.00 C ATOM 561 C GLU A 36 -4.825 -0.090 9.203 1.00 0.00 C ATOM 562 O GLU A 36 -5.580 -0.860 9.789 1.00 0.00 O ATOM 563 CB GLU A 36 -6.812 1.262 8.605 1.00 0.00 C ATOM 564 CG GLU A 36 -7.647 1.886 7.490 1.00 0.00 C ATOM 565 CD GLU A 36 -9.022 2.267 8.014 1.00 0.00 C ATOM 566 OE1 GLU A 36 -9.648 1.395 8.656 1.00 0.00 O ATOM 567 OE2 GLU A 36 -9.419 3.424 7.766 1.00 0.00 O ATOM 0 H GLU A 36 -6.212 -0.625 6.879 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.774 1.705 8.021 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.339 0.394 9.002 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.716 1.978 9.422 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.142 2.769 7.098 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.747 1.183 6.663 1.00 0.00 H new ATOM 574 N LYS A 37 -3.517 -0.014 9.464 1.00 0.00 N ATOM 575 CA LYS A 37 -2.823 -0.841 10.445 1.00 0.00 C ATOM 576 C LYS A 37 -3.376 -0.599 11.836 1.00 0.00 C ATOM 577 O LYS A 37 -2.839 0.230 12.568 1.00 0.00 O ATOM 578 CB LYS A 37 -1.341 -0.487 10.438 1.00 0.00 C ATOM 579 CG LYS A 37 -0.632 -1.003 9.192 1.00 0.00 C ATOM 580 CD LYS A 37 0.857 -0.714 9.350 1.00 0.00 C ATOM 581 CE LYS A 37 1.304 -1.169 10.741 1.00 0.00 C ATOM 582 NZ LYS A 37 2.671 -0.715 11.038 1.00 0.00 N ATOM 0 H LYS A 37 -2.900 0.642 8.985 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.967 -1.889 10.182 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.227 0.595 10.497 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.865 -0.906 11.325 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.803 -2.073 9.071 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.023 -0.514 8.300 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.426 -1.236 8.581 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.050 0.351 9.221 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.617 -0.778 11.492 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.258 -2.256 10.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.977 -1.109 11.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.315 -1.038 10.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.689 0.324 11.086 1.00 0.00 H new ATOM 596 N ASP A 38 -4.467 -1.277 12.190 1.00 0.00 N ATOM 597 CA ASP A 38 -5.167 -1.050 13.441 1.00 0.00 C ATOM 598 C ASP A 38 -5.458 0.444 13.593 1.00 0.00 C ATOM 599 O ASP A 38 -5.431 0.980 14.697 1.00 0.00 O ATOM 600 CB ASP A 38 -4.313 -1.563 14.595 1.00 0.00 C ATOM 601 CG ASP A 38 -4.212 -3.082 14.569 1.00 0.00 C ATOM 602 OD1 ASP A 38 -5.189 -3.725 15.009 1.00 0.00 O ATOM 603 OD2 ASP A 38 -3.166 -3.580 14.095 1.00 0.00 O ATOM 0 H ASP A 38 -4.888 -2.002 11.609 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.115 -1.588 13.447 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.315 -1.128 14.535 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.745 -1.240 15.542 1.00 0.00 H new ATOM 608 N GLY A 39 -5.705 1.125 12.469 1.00 0.00 N ATOM 609 CA GLY A 39 -5.895 2.562 12.488 1.00 0.00 C ATOM 610 C GLY A 39 -4.872 3.280 11.606 1.00 0.00 C ATOM 611 O GLY A 39 -5.153 4.362 11.095 1.00 0.00 O ATOM 0 H GLY A 39 -5.776 0.699 11.545 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.902 2.800 12.145 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.812 2.926 13.512 1.00 0.00 H new ATOM 615 N LYS A 40 -3.693 2.688 11.384 1.00 0.00 N ATOM 616 CA LYS A 40 -2.639 3.293 10.585 1.00 0.00 C ATOM 617 C LYS A 40 -2.972 3.142 9.105 1.00 0.00 C ATOM 618 O LYS A 40 -2.364 2.335 8.403 1.00 0.00 O ATOM 619 CB LYS A 40 -1.307 2.616 10.909 1.00 0.00 C ATOM 620 CG LYS A 40 -1.100 2.431 12.415 1.00 0.00 C ATOM 621 CD LYS A 40 -1.236 3.762 13.156 1.00 0.00 C ATOM 622 CE LYS A 40 -0.265 4.801 12.594 1.00 0.00 C ATOM 623 NZ LYS A 40 1.126 4.319 12.632 1.00 0.00 N ATOM 0 H LYS A 40 -3.449 1.771 11.759 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.559 4.355 10.817 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.267 1.644 10.417 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.490 3.213 10.503 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.830 1.720 12.801 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.113 2.007 12.600 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.259 4.129 13.068 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.041 3.613 14.218 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.540 5.039 11.567 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.347 5.724 13.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.773 5.110 12.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.332 3.926 13.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.257 3.580 11.912 1.00 0.00 H new ATOM 637 N LYS A 41 -3.986 3.870 8.654 1.00 0.00 N ATOM 638 CA LYS A 41 -4.493 3.778 7.304 1.00 0.00 C ATOM 639 C LYS A 41 -3.708 4.614 6.303 1.00 0.00 C ATOM 640 O LYS A 41 -3.351 5.763 6.553 1.00 0.00 O ATOM 641 CB LYS A 41 -5.964 4.167 7.340 1.00 0.00 C ATOM 642 CG LYS A 41 -6.544 4.442 5.953 1.00 0.00 C ATOM 643 CD LYS A 41 -6.253 5.902 5.600 1.00 0.00 C ATOM 644 CE LYS A 41 -6.781 6.196 4.203 1.00 0.00 C ATOM 645 NZ LYS A 41 -6.319 7.507 3.718 1.00 0.00 N ATOM 0 H LYS A 41 -4.482 4.550 9.230 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.375 2.754 6.950 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.534 3.368 7.814 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.084 5.055 7.960 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.099 3.775 5.215 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.618 4.255 5.945 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.724 6.565 6.326 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.181 6.092 5.643 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.452 5.416 3.517 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.871 6.173 4.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.218 7.478 2.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.012 8.237 3.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.400 7.733 4.149 1.00 0.00 H new ATOM 659 N VAL A 42 -3.524 4.027 5.125 1.00 0.00 N ATOM 660 CA VAL A 42 -2.870 4.619 3.971 1.00 0.00 C ATOM 661 C VAL A 42 -3.437 4.038 2.693 1.00 0.00 C ATOM 662 O VAL A 42 -4.298 3.166 2.737 1.00 0.00 O ATOM 663 CB VAL A 42 -1.375 4.323 4.013 1.00 0.00 C ATOM 664 CG1 VAL A 42 -0.718 5.172 5.090 1.00 0.00 C ATOM 665 CG2 VAL A 42 -1.176 2.835 4.302 1.00 0.00 C ATOM 0 H VAL A 42 -3.845 3.076 4.944 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.040 5.695 3.995 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.914 4.566 3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.351 4.960 5.119 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.872 6.227 4.866 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.161 4.938 6.058 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.110 2.610 4.335 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.629 2.587 5.262 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.647 2.245 3.516 1.00 0.00 H new ATOM 675 N ASN A 43 -2.964 4.523 1.545 1.00 0.00 N ATOM 676 CA ASN A 43 -3.380 3.984 0.261 1.00 0.00 C ATOM 677 C ASN A 43 -2.860 2.562 0.115 1.00 0.00 C ATOM 678 O ASN A 43 -1.706 2.315 -0.220 1.00 0.00 O ATOM 679 CB ASN A 43 -3.000 4.888 -0.918 1.00 0.00 C ATOM 680 CG ASN A 43 -1.618 5.520 -0.826 1.00 0.00 C ATOM 681 OD1 ASN A 43 -1.482 6.731 -0.925 1.00 0.00 O ATOM 682 ND2 ASN A 43 -0.574 4.729 -0.615 1.00 0.00 N ATOM 0 H ASN A 43 -2.293 5.288 1.483 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.469 3.952 0.238 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.055 4.304 -1.837 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.741 5.683 -1.001 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.361 5.129 -0.533 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.706 3.721 -0.535 1.00 0.00 H new ATOM 689 N ALA A 44 -3.771 1.627 0.331 1.00 0.00 N ATOM 690 CA ALA A 44 -3.554 0.192 0.292 1.00 0.00 C ATOM 691 C ALA A 44 -2.811 -0.266 -0.956 1.00 0.00 C ATOM 692 O ALA A 44 -2.071 -1.245 -0.923 1.00 0.00 O ATOM 693 CB ALA A 44 -4.925 -0.467 0.247 1.00 0.00 C ATOM 0 H ALA A 44 -4.738 1.865 0.551 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.958 -0.078 1.164 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.807 -1.550 0.217 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.492 -0.188 1.135 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.459 -0.135 -0.643 1.00 0.00 H new ATOM 699 N LYS A 45 -3.037 0.435 -2.063 1.00 0.00 N ATOM 700 CA LYS A 45 -2.488 0.059 -3.345 1.00 0.00 C ATOM 701 C LYS A 45 -1.171 0.769 -3.640 1.00 0.00 C ATOM 702 O LYS A 45 -0.410 0.328 -4.497 1.00 0.00 O ATOM 703 CB LYS A 45 -3.537 0.356 -4.419 1.00 0.00 C ATOM 704 CG LYS A 45 -4.091 1.779 -4.317 1.00 0.00 C ATOM 705 CD LYS A 45 -5.060 2.040 -5.471 1.00 0.00 C ATOM 706 CE LYS A 45 -6.175 0.994 -5.466 1.00 0.00 C ATOM 707 NZ LYS A 45 -7.219 1.293 -6.463 1.00 0.00 N ATOM 0 H LYS A 45 -3.608 1.280 -2.088 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.254 -1.006 -3.336 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.095 0.211 -5.405 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.356 -0.357 -4.329 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.602 1.913 -3.363 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.274 2.500 -4.345 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.487 3.039 -5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.525 2.008 -6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.750 0.011 -5.670 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.624 0.948 -4.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.736 0.421 -6.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.881 1.994 -6.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.778 1.674 -7.324 1.00 0.00 H new ATOM 721 N SER A 46 -0.916 1.888 -2.970 1.00 0.00 N ATOM 722 CA SER A 46 0.277 2.661 -3.248 1.00 0.00 C ATOM 723 C SER A 46 1.364 2.489 -2.188 1.00 0.00 C ATOM 724 O SER A 46 1.146 1.876 -1.146 1.00 0.00 O ATOM 725 CB SER A 46 -0.112 4.130 -3.397 1.00 0.00 C ATOM 726 OG SER A 46 -1.305 4.251 -4.152 1.00 0.00 O ATOM 0 H SER A 46 -1.515 2.272 -2.240 1.00 0.00 H new ATOM 0 HA SER A 46 0.709 2.289 -4.177 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.250 4.578 -2.413 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.693 4.678 -3.887 1.00 0.00 H new ATOM 0 HG SER A 46 -1.543 5.198 -4.238 1.00 0.00 H new ATOM 732 N ILE A 47 2.520 3.105 -2.455 1.00 0.00 N ATOM 733 CA ILE A 47 3.690 3.207 -1.582 1.00 0.00 C ATOM 734 C ILE A 47 3.336 3.398 -0.115 1.00 0.00 C ATOM 735 O ILE A 47 3.842 2.706 0.757 1.00 0.00 O ATOM 736 CB ILE A 47 4.558 4.396 -2.027 1.00 0.00 C ATOM 737 CG1 ILE A 47 5.586 4.773 -0.948 1.00 0.00 C ATOM 738 CG2 ILE A 47 3.710 5.633 -2.345 1.00 0.00 C ATOM 739 CD1 ILE A 47 4.997 5.792 0.038 1.00 0.00 C ATOM 0 H ILE A 47 2.671 3.576 -3.347 1.00 0.00 H new ATOM 0 HA ILE A 47 4.224 2.261 -1.672 1.00 0.00 H new ATOM 0 HB ILE A 47 5.075 4.074 -2.931 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.898 3.878 -0.409 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.477 5.189 -1.418 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.361 6.450 -2.655 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.013 5.399 -3.149 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.153 5.930 -1.457 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.744 6.043 0.792 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.708 6.694 -0.501 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.121 5.363 0.524 1.00 0.00 H new ATOM 751 N MET A 48 2.509 4.384 0.198 1.00 0.00 N ATOM 752 CA MET A 48 2.254 4.633 1.602 1.00 0.00 C ATOM 753 C MET A 48 1.601 3.426 2.282 1.00 0.00 C ATOM 754 O MET A 48 1.770 3.218 3.485 1.00 0.00 O ATOM 755 CB MET A 48 1.493 5.945 1.732 1.00 0.00 C ATOM 756 CG MET A 48 1.267 6.309 3.198 1.00 0.00 C ATOM 757 SD MET A 48 2.746 6.751 4.135 1.00 0.00 S ATOM 758 CE MET A 48 3.497 7.897 2.964 1.00 0.00 C ATOM 0 H MET A 48 2.027 4.994 -0.463 1.00 0.00 H new ATOM 0 HA MET A 48 3.188 4.755 2.150 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.049 6.742 1.238 1.00 0.00 H new ATOM 0 HB3 MET A 48 0.533 5.864 1.222 1.00 0.00 H new ATOM 0 HG2 MET A 48 0.569 7.145 3.242 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.785 5.465 3.692 1.00 0.00 H new ATOM 0 HE1 MET A 48 4.197 8.547 3.489 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.029 7.336 2.196 1.00 0.00 H new ATOM 0 HE3 MET A 48 2.720 8.503 2.498 1.00 0.00 H new ATOM 768 N GLY A 49 0.898 2.603 1.509 1.00 0.00 N ATOM 769 CA GLY A 49 0.448 1.331 2.004 1.00 0.00 C ATOM 770 C GLY A 49 1.618 0.360 1.849 1.00 0.00 C ATOM 771 O GLY A 49 2.308 0.117 2.829 1.00 0.00 O ATOM 0 H GLY A 49 0.635 2.804 0.544 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.144 1.408 3.048 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.420 0.983 1.444 1.00 0.00 H new ATOM 775 N LEU A 50 1.873 -0.142 0.634 1.00 0.00 N ATOM 776 CA LEU A 50 2.906 -1.145 0.337 1.00 0.00 C ATOM 777 C LEU A 50 4.230 -0.940 1.056 1.00 0.00 C ATOM 778 O LEU A 50 4.811 -1.848 1.635 1.00 0.00 O ATOM 779 CB LEU A 50 3.321 -1.039 -1.122 1.00 0.00 C ATOM 780 CG LEU A 50 2.867 -2.247 -1.939 1.00 0.00 C ATOM 781 CD1 LEU A 50 3.191 -1.981 -3.406 1.00 0.00 C ATOM 782 CD2 LEU A 50 3.587 -3.520 -1.484 1.00 0.00 C ATOM 0 H LEU A 50 1.352 0.146 -0.194 1.00 0.00 H new ATOM 0 HA LEU A 50 2.440 -2.083 0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.899 -0.131 -1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.405 -0.947 -1.184 1.00 0.00 H new ATOM 0 HG LEU A 50 1.796 -2.394 -1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.875 -2.832 -4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.665 -1.086 -3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.265 -1.834 -3.521 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.245 -4.365 -2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.662 -3.396 -1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.367 -3.707 -0.433 1.00 0.00 H new ATOM 794 N MET A 51 4.776 0.253 0.874 1.00 0.00 N ATOM 795 CA MET A 51 6.068 0.597 1.394 1.00 0.00 C ATOM 796 C MET A 51 5.937 0.839 2.897 1.00 0.00 C ATOM 797 O MET A 51 6.672 0.270 3.700 1.00 0.00 O ATOM 798 CB MET A 51 6.585 1.816 0.604 1.00 0.00 C ATOM 799 CG MET A 51 6.913 3.051 1.451 1.00 0.00 C ATOM 800 SD MET A 51 8.444 2.958 2.402 1.00 0.00 S ATOM 801 CE MET A 51 8.141 4.321 3.539 1.00 0.00 C ATOM 0 H MET A 51 4.323 1.006 0.357 1.00 0.00 H new ATOM 0 HA MET A 51 6.800 -0.201 1.272 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.481 1.521 0.058 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.836 2.092 -0.138 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.967 3.918 0.792 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.088 3.226 2.141 1.00 0.00 H new ATOM 0 HE1 MET A 51 9.092 4.749 3.856 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.547 5.086 3.039 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.600 3.954 4.411 1.00 0.00 H new ATOM 811 N SER A 52 5.004 1.720 3.257 1.00 0.00 N ATOM 812 CA SER A 52 4.849 2.171 4.626 1.00 0.00 C ATOM 813 C SER A 52 4.041 1.253 5.548 1.00 0.00 C ATOM 814 O SER A 52 4.610 0.557 6.383 1.00 0.00 O ATOM 815 CB SER A 52 4.322 3.602 4.606 1.00 0.00 C ATOM 816 OG SER A 52 5.139 4.374 3.744 1.00 0.00 O ATOM 0 H SER A 52 4.339 2.136 2.604 1.00 0.00 H new ATOM 0 HA SER A 52 5.837 2.135 5.084 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.288 3.619 4.262 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.331 4.022 5.612 1.00 0.00 H new ATOM 0 HG SER A 52 4.732 5.255 3.609 1.00 0.00 H new ATOM 822 N LEU A 53 2.709 1.312 5.483 1.00 0.00 N ATOM 823 CA LEU A 53 1.875 0.564 6.418 1.00 0.00 C ATOM 824 C LEU A 53 1.707 -0.895 6.018 1.00 0.00 C ATOM 825 O LEU A 53 2.067 -1.815 6.763 1.00 0.00 O ATOM 826 CB LEU A 53 0.507 1.214 6.561 1.00 0.00 C ATOM 827 CG LEU A 53 0.626 2.537 7.310 1.00 0.00 C ATOM 828 CD1 LEU A 53 1.430 2.387 8.601 1.00 0.00 C ATOM 829 CD2 LEU A 53 1.269 3.581 6.403 1.00 0.00 C ATOM 0 H LEU A 53 2.192 1.865 4.799 1.00 0.00 H new ATOM 0 HA LEU A 53 2.394 0.586 7.376 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.073 1.384 5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.167 0.545 7.096 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.377 2.861 7.588 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.492 3.351 9.105 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.938 1.667 9.255 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.435 2.036 8.365 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.354 4.526 6.939 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.261 3.243 6.105 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.652 3.721 5.515 1.00 0.00 H new ATOM 841 N ALA A 54 1.098 -1.073 4.845 1.00 0.00 N ATOM 842 CA ALA A 54 0.803 -2.333 4.193 1.00 0.00 C ATOM 843 C ALA A 54 2.096 -2.967 3.709 1.00 0.00 C ATOM 844 O ALA A 54 2.386 -3.003 2.518 1.00 0.00 O ATOM 845 CB ALA A 54 -0.155 -2.094 3.031 1.00 0.00 C ATOM 0 H ALA A 54 0.778 -0.278 4.292 1.00 0.00 H new ATOM 0 HA ALA A 54 0.326 -3.014 4.898 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.376 -3.042 2.541 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.079 -1.655 3.406 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.305 -1.414 2.314 1.00 0.00 H new ATOM 851 N VAL A 55 2.827 -3.442 4.705 1.00 0.00 N ATOM 852 CA VAL A 55 4.085 -4.170 4.681 1.00 0.00 C ATOM 853 C VAL A 55 4.345 -4.765 6.068 1.00 0.00 C ATOM 854 O VAL A 55 4.988 -5.810 6.196 1.00 0.00 O ATOM 855 CB VAL A 55 5.210 -3.252 4.201 1.00 0.00 C ATOM 856 CG1 VAL A 55 5.357 -2.058 5.140 1.00 0.00 C ATOM 857 CG2 VAL A 55 6.533 -4.008 4.123 1.00 0.00 C ATOM 0 H VAL A 55 2.513 -3.309 5.666 1.00 0.00 H new ATOM 0 HA VAL A 55 4.039 -4.998 3.974 1.00 0.00 H new ATOM 0 HB VAL A 55 4.951 -2.896 3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.161 -1.413 4.786 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.424 -1.495 5.162 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.591 -2.411 6.144 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.318 -3.334 3.779 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.791 -4.392 5.110 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.437 -4.839 3.424 1.00 0.00 H new ATOM 867 N SER A 56 3.781 -4.139 7.105 1.00 0.00 N ATOM 868 CA SER A 56 3.917 -4.552 8.487 1.00 0.00 C ATOM 869 C SER A 56 3.157 -5.843 8.789 1.00 0.00 C ATOM 870 O SER A 56 2.055 -5.808 9.346 1.00 0.00 O ATOM 871 CB SER A 56 3.426 -3.415 9.382 1.00 0.00 C ATOM 872 OG SER A 56 3.902 -2.168 8.901 1.00 0.00 O ATOM 0 H SER A 56 3.202 -3.307 6.993 1.00 0.00 H new ATOM 0 HA SER A 56 4.968 -4.764 8.683 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.336 -3.410 9.410 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.770 -3.573 10.404 1.00 0.00 H new ATOM 0 HG SER A 56 3.353 -1.879 8.142 1.00 0.00 H new ATOM 878 N THR A 57 3.762 -6.975 8.428 1.00 0.00 N ATOM 879 CA THR A 57 3.243 -8.305 8.691 1.00 0.00 C ATOM 880 C THR A 57 2.737 -8.438 10.128 1.00 0.00 C ATOM 881 O THR A 57 3.490 -8.257 11.082 1.00 0.00 O ATOM 882 CB THR A 57 4.347 -9.330 8.435 1.00 0.00 C ATOM 883 OG1 THR A 57 4.854 -9.177 7.129 1.00 0.00 O ATOM 884 CG2 THR A 57 3.813 -10.752 8.588 1.00 0.00 C ATOM 0 H THR A 57 4.652 -6.985 7.930 1.00 0.00 H new ATOM 0 HA THR A 57 2.399 -8.484 8.025 1.00 0.00 H new ATOM 0 HB THR A 57 5.138 -9.161 9.166 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.562 -9.836 6.974 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.616 -11.464 8.401 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.433 -10.891 9.600 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.008 -10.917 7.872 1.00 0.00 H new ATOM 892 N GLY A 58 1.452 -8.752 10.271 1.00 0.00 N ATOM 893 CA GLY A 58 0.830 -8.970 11.562 1.00 0.00 C ATOM 894 C GLY A 58 -0.046 -7.808 12.019 1.00 0.00 C ATOM 895 O GLY A 58 -0.711 -7.928 13.043 1.00 0.00 O ATOM 0 H GLY A 58 0.813 -8.862 9.484 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.224 -9.875 11.517 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.607 -9.143 12.306 1.00 0.00 H new ATOM 899 N THR A 59 -0.101 -6.698 11.281 1.00 0.00 N ATOM 900 CA THR A 59 -0.939 -5.600 11.736 1.00 0.00 C ATOM 901 C THR A 59 -2.382 -5.868 11.325 1.00 0.00 C ATOM 902 O THR A 59 -2.616 -6.256 10.183 1.00 0.00 O ATOM 903 CB THR A 59 -0.466 -4.269 11.144 1.00 0.00 C ATOM 904 OG1 THR A 59 0.937 -4.130 11.205 1.00 0.00 O ATOM 905 CG2 THR A 59 -1.085 -3.127 11.940 1.00 0.00 C ATOM 0 H THR A 59 0.401 -6.542 10.407 1.00 0.00 H new ATOM 0 HA THR A 59 -0.870 -5.531 12.822 1.00 0.00 H new ATOM 0 HB THR A 59 -0.772 -4.246 10.098 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.357 -4.792 10.617 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.754 -2.174 11.526 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.172 -3.190 11.882 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.772 -3.198 12.982 1.00 0.00 H new ATOM 913 N GLU A 60 -3.358 -5.663 12.210 1.00 0.00 N ATOM 914 CA GLU A 60 -4.744 -5.853 11.814 1.00 0.00 C ATOM 915 C GLU A 60 -5.169 -4.608 11.041 1.00 0.00 C ATOM 916 O GLU A 60 -5.737 -3.667 11.591 1.00 0.00 O ATOM 917 CB GLU A 60 -5.632 -6.120 13.028 1.00 0.00 C ATOM 918 CG GLU A 60 -5.005 -7.152 13.969 1.00 0.00 C ATOM 919 CD GLU A 60 -4.946 -8.533 13.336 1.00 0.00 C ATOM 920 OE1 GLU A 60 -5.903 -8.872 12.607 1.00 0.00 O ATOM 921 OE2 GLU A 60 -3.945 -9.233 13.601 1.00 0.00 O ATOM 0 H GLU A 60 -3.217 -5.374 13.178 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.850 -6.731 11.177 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.800 -5.189 13.569 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.607 -6.475 12.695 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.998 -6.833 14.239 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.583 -7.200 14.892 1.00 0.00 H new ATOM 928 N VAL A 61 -4.817 -4.578 9.762 1.00 0.00 N ATOM 929 CA VAL A 61 -5.071 -3.449 8.898 1.00 0.00 C ATOM 930 C VAL A 61 -6.412 -3.586 8.193 1.00 0.00 C ATOM 931 O VAL A 61 -6.721 -4.617 7.594 1.00 0.00 O ATOM 932 CB VAL A 61 -3.942 -3.283 7.884 1.00 0.00 C ATOM 933 CG1 VAL A 61 -2.601 -3.031 8.554 1.00 0.00 C ATOM 934 CG2 VAL A 61 -3.775 -4.557 7.080 1.00 0.00 C ATOM 0 H VAL A 61 -4.341 -5.351 9.296 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.111 -2.554 9.519 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.216 -2.432 7.260 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.829 -2.920 7.793 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.657 -2.120 9.150 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.354 -3.873 9.201 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.967 -4.429 6.359 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.535 -5.382 7.751 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.702 -4.777 6.551 1.00 0.00 H new ATOM 944 N THR A 62 -7.213 -2.531 8.258 1.00 0.00 N ATOM 945 CA THR A 62 -8.495 -2.495 7.585 1.00 0.00 C ATOM 946 C THR A 62 -8.255 -2.228 6.112 1.00 0.00 C ATOM 947 O THR A 62 -7.769 -1.154 5.755 1.00 0.00 O ATOM 948 CB THR A 62 -9.379 -1.397 8.174 1.00 0.00 C ATOM 949 OG1 THR A 62 -9.101 -1.217 9.546 1.00 0.00 O ATOM 950 CG2 THR A 62 -10.852 -1.767 8.007 1.00 0.00 C ATOM 0 H THR A 62 -6.990 -1.682 8.777 1.00 0.00 H new ATOM 0 HA THR A 62 -9.005 -3.449 7.718 1.00 0.00 H new ATOM 0 HB THR A 62 -9.169 -0.469 7.642 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.239 -0.277 9.787 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.475 -0.979 8.430 1.00 0.00 H new ATOM 0 HG22 THR A 62 -11.081 -1.881 6.947 1.00 0.00 H new ATOM 0 HG23 THR A 62 -11.052 -2.705 8.525 1.00 0.00 H new ATOM 958 N LEU A 63 -8.556 -3.201 5.258 1.00 0.00 N ATOM 959 CA LEU A 63 -8.431 -3.006 3.842 1.00 0.00 C ATOM 960 C LEU A 63 -9.677 -2.291 3.364 1.00 0.00 C ATOM 961 O LEU A 63 -10.762 -2.866 3.311 1.00 0.00 O ATOM 962 CB LEU A 63 -8.248 -4.352 3.159 1.00 0.00 C ATOM 963 CG LEU A 63 -7.671 -4.174 1.760 1.00 0.00 C ATOM 964 CD1 LEU A 63 -8.682 -3.570 0.791 1.00 0.00 C ATOM 965 CD2 LEU A 63 -6.446 -3.271 1.824 1.00 0.00 C ATOM 0 H LEU A 63 -8.886 -4.126 5.534 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.559 -2.400 3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.585 -4.980 3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.206 -4.868 3.099 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.402 -5.164 1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.224 -3.463 -0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.551 -4.224 0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.994 -2.591 1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.034 -3.145 0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.732 -2.298 2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.694 -3.723 2.471 1.00 0.00 H new ATOM 977 N ILE A 64 -9.506 -1.010 3.082 1.00 0.00 N ATOM 978 CA ILE A 64 -10.512 -0.137 2.538 1.00 0.00 C ATOM 979 C ILE A 64 -10.437 -0.174 1.024 1.00 0.00 C ATOM 980 O ILE A 64 -9.368 -0.327 0.439 1.00 0.00 O ATOM 981 CB ILE A 64 -10.206 1.301 2.956 1.00 0.00 C ATOM 982 CG1 ILE A 64 -10.087 1.448 4.465 1.00 0.00 C ATOM 983 CG2 ILE A 64 -11.313 2.218 2.448 1.00 0.00 C ATOM 984 CD1 ILE A 64 -9.878 2.916 4.806 1.00 0.00 C ATOM 0 H ILE A 64 -8.616 -0.536 3.237 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.491 -0.456 2.896 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.246 1.576 2.519 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.987 1.073 4.952 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.253 0.853 4.836 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.099 3.245 2.744 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -11.366 2.157 1.361 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.267 1.908 2.876 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.792 3.030 5.887 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.965 3.274 4.329 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -10.727 3.497 4.447 1.00 0.00 H new ATOM 996 N ALA A 65 -11.573 0.022 0.379 1.00 0.00 N ATOM 997 CA ALA A 65 -11.594 0.237 -1.046 1.00 0.00 C ATOM 998 C ALA A 65 -12.694 1.237 -1.273 1.00 0.00 C ATOM 999 O ALA A 65 -13.821 0.871 -1.574 1.00 0.00 O ATOM 1000 CB ALA A 65 -11.840 -1.058 -1.805 1.00 0.00 C ATOM 0 H ALA A 65 -12.490 0.036 0.825 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.636 0.603 -1.415 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.849 -0.856 -2.876 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.047 -1.770 -1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.801 -1.478 -1.507 1.00 0.00 H new ATOM 1006 N GLN A 66 -12.392 2.517 -1.116 1.00 0.00 N ATOM 1007 CA GLN A 66 -13.457 3.478 -1.244 1.00 0.00 C ATOM 1008 C GLN A 66 -13.636 3.844 -2.708 1.00 0.00 C ATOM 1009 O GLN A 66 -13.220 4.904 -3.180 1.00 0.00 O ATOM 1010 CB GLN A 66 -13.214 4.638 -0.284 1.00 0.00 C ATOM 1011 CG GLN A 66 -12.058 5.516 -0.740 1.00 0.00 C ATOM 1012 CD GLN A 66 -12.233 6.954 -0.292 1.00 0.00 C ATOM 1013 OE1 GLN A 66 -12.694 7.785 -1.072 1.00 0.00 O ATOM 1014 NE2 GLN A 66 -11.852 7.266 0.941 1.00 0.00 N ATOM 0 H GLN A 66 -11.466 2.893 -0.911 1.00 0.00 H new ATOM 0 HA GLN A 66 -14.420 3.066 -0.942 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -14.119 5.240 -0.205 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -13.003 4.248 0.712 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -11.123 5.122 -0.341 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -11.981 5.481 -1.827 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -11.475 6.545 1.556 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -11.937 8.227 1.273 1.00 0.00 H new ATOM 1023 N GLY A 67 -14.206 2.909 -3.457 1.00 0.00 N ATOM 1024 CA GLY A 67 -14.393 3.064 -4.881 1.00 0.00 C ATOM 1025 C GLY A 67 -15.601 2.318 -5.407 1.00 0.00 C ATOM 1026 O GLY A 67 -16.426 1.795 -4.662 1.00 0.00 O ATOM 0 H GLY A 67 -14.550 2.023 -3.087 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.498 4.124 -5.114 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.501 2.710 -5.399 1.00 0.00 H new ATOM 1030 N GLU A 68 -15.636 2.243 -6.731 1.00 0.00 N ATOM 1031 CA GLU A 68 -16.634 1.572 -7.530 1.00 0.00 C ATOM 1032 C GLU A 68 -16.808 0.111 -7.133 1.00 0.00 C ATOM 1033 O GLU A 68 -17.912 -0.417 -7.219 1.00 0.00 O ATOM 1034 CB GLU A 68 -16.190 1.663 -8.989 1.00 0.00 C ATOM 1035 CG GLU A 68 -15.971 3.119 -9.405 1.00 0.00 C ATOM 1036 CD GLU A 68 -17.159 3.995 -9.040 1.00 0.00 C ATOM 1037 OE1 GLU A 68 -18.254 3.719 -9.573 1.00 0.00 O ATOM 1038 OE2 GLU A 68 -16.945 4.915 -8.220 1.00 0.00 O ATOM 0 H GLU A 68 -14.917 2.681 -7.306 1.00 0.00 H new ATOM 0 HA GLU A 68 -17.599 2.055 -7.373 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -15.268 1.099 -9.128 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -16.943 1.207 -9.631 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -15.073 3.504 -8.922 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -15.800 3.168 -10.480 1.00 0.00 H new ATOM 1045 N ASP A 69 -15.734 -0.563 -6.711 1.00 0.00 N ATOM 1046 CA ASP A 69 -15.879 -1.945 -6.303 1.00 0.00 C ATOM 1047 C ASP A 69 -15.745 -2.030 -4.802 1.00 0.00 C ATOM 1048 O ASP A 69 -15.533 -3.134 -4.320 1.00 0.00 O ATOM 1049 CB ASP A 69 -14.801 -2.804 -6.953 1.00 0.00 C ATOM 1050 CG ASP A 69 -14.704 -2.582 -8.453 1.00 0.00 C ATOM 1051 OD1 ASP A 69 -15.593 -3.091 -9.167 1.00 0.00 O ATOM 1052 OD2 ASP A 69 -13.726 -1.911 -8.852 1.00 0.00 O ATOM 0 H ASP A 69 -14.790 -0.183 -6.647 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.857 -2.310 -6.615 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.838 -2.582 -6.493 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -15.012 -3.855 -6.758 1.00 0.00 H new ATOM 1057 N GLU A 70 -16.011 -0.937 -4.076 1.00 0.00 N ATOM 1058 CA GLU A 70 -15.685 -0.723 -2.688 1.00 0.00 C ATOM 1059 C GLU A 70 -15.679 -1.997 -1.867 1.00 0.00 C ATOM 1060 O GLU A 70 -14.617 -2.602 -1.723 1.00 0.00 O ATOM 1061 CB GLU A 70 -16.744 0.253 -2.174 1.00 0.00 C ATOM 1062 CG GLU A 70 -16.552 0.626 -0.707 1.00 0.00 C ATOM 1063 CD GLU A 70 -17.896 0.647 -0.004 1.00 0.00 C ATOM 1064 OE1 GLU A 70 -18.631 -0.348 -0.188 1.00 0.00 O ATOM 1065 OE2 GLU A 70 -18.163 1.642 0.701 1.00 0.00 O ATOM 0 H GLU A 70 -16.492 -0.135 -4.483 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.671 -0.334 -2.594 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.719 1.159 -2.779 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -17.731 -0.190 -2.304 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.889 -0.091 -0.223 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -16.075 1.603 -0.630 1.00 0.00 H new ATOM 1072 N GLN A 71 -16.838 -2.400 -1.345 1.00 0.00 N ATOM 1073 CA GLN A 71 -16.988 -3.557 -0.484 1.00 0.00 C ATOM 1074 C GLN A 71 -16.236 -4.785 -1.005 1.00 0.00 C ATOM 1075 O GLN A 71 -15.603 -5.494 -0.222 1.00 0.00 O ATOM 1076 CB GLN A 71 -18.488 -3.823 -0.330 1.00 0.00 C ATOM 1077 CG GLN A 71 -18.804 -4.924 0.683 1.00 0.00 C ATOM 1078 CD GLN A 71 -18.207 -4.618 2.047 1.00 0.00 C ATOM 1079 OE1 GLN A 71 -18.868 -4.091 2.937 1.00 0.00 O ATOM 1080 NE2 GLN A 71 -16.931 -4.939 2.213 1.00 0.00 N ATOM 0 H GLN A 71 -17.717 -1.913 -1.518 1.00 0.00 H new ATOM 0 HA GLN A 71 -16.539 -3.350 0.487 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -18.984 -2.902 -0.023 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -18.903 -4.100 -1.299 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -19.884 -5.035 0.775 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -18.415 -5.875 0.320 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -16.412 -5.376 1.452 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -16.469 -4.749 3.102 1.00 0.00 H new ATOM 1089 N GLU A 72 -16.293 -5.008 -2.318 1.00 0.00 N ATOM 1090 CA GLU A 72 -15.671 -6.125 -2.994 1.00 0.00 C ATOM 1091 C GLU A 72 -14.156 -6.011 -2.901 1.00 0.00 C ATOM 1092 O GLU A 72 -13.466 -6.946 -2.494 1.00 0.00 O ATOM 1093 CB GLU A 72 -16.143 -6.021 -4.449 1.00 0.00 C ATOM 1094 CG GLU A 72 -15.195 -6.632 -5.481 1.00 0.00 C ATOM 1095 CD GLU A 72 -15.157 -8.154 -5.418 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -16.171 -8.736 -4.977 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -14.107 -8.704 -5.815 1.00 0.00 O ATOM 0 H GLU A 72 -16.794 -4.388 -2.955 1.00 0.00 H new ATOM 0 HA GLU A 72 -15.941 -7.085 -2.553 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.114 -6.509 -4.536 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -16.292 -4.969 -4.693 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.503 -6.322 -6.479 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.190 -6.241 -5.321 1.00 0.00 H new ATOM 1104 N ALA A 73 -13.660 -4.846 -3.310 1.00 0.00 N ATOM 1105 CA ALA A 73 -12.268 -4.503 -3.347 1.00 0.00 C ATOM 1106 C ALA A 73 -11.669 -4.686 -1.965 1.00 0.00 C ATOM 1107 O ALA A 73 -10.797 -5.525 -1.746 1.00 0.00 O ATOM 1108 CB ALA A 73 -12.205 -3.048 -3.809 1.00 0.00 C ATOM 0 H ALA A 73 -14.259 -4.089 -3.638 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.696 -5.137 -4.025 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.165 -2.726 -3.857 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.659 -2.960 -4.796 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.747 -2.418 -3.103 1.00 0.00 H new ATOM 1114 N LEU A 74 -12.187 -3.911 -1.022 1.00 0.00 N ATOM 1115 CA LEU A 74 -11.711 -3.907 0.340 1.00 0.00 C ATOM 1116 C LEU A 74 -11.758 -5.309 0.952 1.00 0.00 C ATOM 1117 O LEU A 74 -10.754 -5.765 1.503 1.00 0.00 O ATOM 1118 CB LEU A 74 -12.484 -2.828 1.087 1.00 0.00 C ATOM 1119 CG LEU A 74 -13.980 -3.080 1.108 1.00 0.00 C ATOM 1120 CD1 LEU A 74 -14.343 -3.623 2.477 1.00 0.00 C ATOM 1121 CD2 LEU A 74 -14.685 -1.756 0.837 1.00 0.00 C ATOM 0 H LEU A 74 -12.957 -3.264 -1.190 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.654 -3.651 0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.116 -2.768 2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.290 -1.861 0.622 1.00 0.00 H new ATOM 0 HG LEU A 74 -14.283 -3.802 0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -15.415 -3.814 2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -13.802 -4.552 2.655 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -14.073 -2.894 3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -15.764 -1.910 0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -14.414 -1.035 1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.382 -1.375 -0.138 1.00 0.00 H new ATOM 1133 N GLU A 75 -12.882 -6.021 0.803 1.00 0.00 N ATOM 1134 CA GLU A 75 -12.995 -7.372 1.325 1.00 0.00 C ATOM 1135 C GLU A 75 -11.954 -8.327 0.746 1.00 0.00 C ATOM 1136 O GLU A 75 -11.233 -8.967 1.511 1.00 0.00 O ATOM 1137 CB GLU A 75 -14.392 -7.933 1.079 1.00 0.00 C ATOM 1138 CG GLU A 75 -15.331 -7.482 2.194 1.00 0.00 C ATOM 1139 CD GLU A 75 -16.739 -8.017 1.976 1.00 0.00 C ATOM 1140 OE1 GLU A 75 -17.311 -7.701 0.910 1.00 0.00 O ATOM 1141 OE2 GLU A 75 -17.217 -8.723 2.888 1.00 0.00 O ATOM 0 H GLU A 75 -13.717 -5.679 0.327 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.809 -7.297 2.396 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.767 -7.591 0.114 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.355 -9.022 1.039 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -14.952 -7.829 3.155 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -15.355 -6.393 2.235 1.00 0.00 H new ATOM 1148 N LYS A 76 -11.859 -8.458 -0.581 1.00 0.00 N ATOM 1149 CA LYS A 76 -10.948 -9.462 -1.099 1.00 0.00 C ATOM 1150 C LYS A 76 -9.499 -9.082 -0.882 1.00 0.00 C ATOM 1151 O LYS A 76 -8.668 -9.955 -0.660 1.00 0.00 O ATOM 1152 CB LYS A 76 -11.218 -9.812 -2.553 1.00 0.00 C ATOM 1153 CG LYS A 76 -11.323 -8.620 -3.491 1.00 0.00 C ATOM 1154 CD LYS A 76 -11.408 -9.232 -4.888 1.00 0.00 C ATOM 1155 CE LYS A 76 -10.071 -9.169 -5.631 1.00 0.00 C ATOM 1156 NZ LYS A 76 -8.994 -9.850 -4.892 1.00 0.00 N ATOM 0 H LYS A 76 -12.372 -7.913 -1.275 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.141 -10.365 -0.520 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.421 -10.466 -2.908 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.146 -10.382 -2.608 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.204 -8.017 -3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.457 -7.965 -3.398 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.729 -10.271 -4.809 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.168 -8.707 -5.467 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.181 -9.627 -6.614 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.796 -8.127 -5.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.133 -9.872 -5.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.801 -9.337 -4.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.287 -10.823 -4.670 1.00 0.00 H new ATOM 1170 N LEU A 77 -9.180 -7.794 -0.948 1.00 0.00 N ATOM 1171 CA LEU A 77 -7.823 -7.361 -0.687 1.00 0.00 C ATOM 1172 C LEU A 77 -7.444 -7.659 0.760 1.00 0.00 C ATOM 1173 O LEU A 77 -6.397 -8.258 0.998 1.00 0.00 O ATOM 1174 CB LEU A 77 -7.658 -5.895 -1.056 1.00 0.00 C ATOM 1175 CG LEU A 77 -7.465 -5.773 -2.569 1.00 0.00 C ATOM 1176 CD1 LEU A 77 -6.487 -6.818 -3.066 1.00 0.00 C ATOM 1177 CD2 LEU A 77 -8.713 -6.128 -3.349 1.00 0.00 C ATOM 0 H LEU A 77 -9.835 -7.046 -1.177 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.130 -7.922 -1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.535 -5.328 -0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.801 -5.471 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.151 -4.740 -2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.362 -6.716 -4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.524 -6.678 -2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.870 -7.813 -2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.517 -6.023 -4.416 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.997 -7.157 -3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.524 -5.459 -3.062 1.00 0.00 H new ATOM 1189 N ALA A 78 -8.292 -7.281 1.726 1.00 0.00 N ATOM 1190 CA ALA A 78 -8.048 -7.616 3.121 1.00 0.00 C ATOM 1191 C ALA A 78 -7.930 -9.126 3.270 1.00 0.00 C ATOM 1192 O ALA A 78 -7.094 -9.617 4.022 1.00 0.00 O ATOM 1193 CB ALA A 78 -9.200 -7.131 3.990 1.00 0.00 C ATOM 0 H ALA A 78 -9.145 -6.747 1.561 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.124 -7.132 3.437 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.004 -7.388 5.031 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.297 -6.049 3.896 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.125 -7.607 3.667 1.00 0.00 H new ATOM 1199 N ALA A 79 -8.773 -9.870 2.554 1.00 0.00 N ATOM 1200 CA ALA A 79 -8.716 -11.316 2.563 1.00 0.00 C ATOM 1201 C ALA A 79 -7.308 -11.754 2.179 1.00 0.00 C ATOM 1202 O ALA A 79 -6.602 -12.388 2.958 1.00 0.00 O ATOM 1203 CB ALA A 79 -9.726 -11.848 1.551 1.00 0.00 C ATOM 0 H ALA A 79 -9.506 -9.483 1.959 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.955 -11.706 3.552 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.696 -12.938 1.545 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.727 -11.514 1.826 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.478 -11.473 0.558 1.00 0.00 H new ATOM 1209 N TYR A 80 -6.893 -11.337 0.988 1.00 0.00 N ATOM 1210 CA TYR A 80 -5.626 -11.659 0.371 1.00 0.00 C ATOM 1211 C TYR A 80 -4.413 -11.281 1.215 1.00 0.00 C ATOM 1212 O TYR A 80 -3.386 -11.954 1.175 1.00 0.00 O ATOM 1213 CB TYR A 80 -5.601 -10.905 -0.946 1.00 0.00 C ATOM 1214 CG TYR A 80 -4.395 -11.228 -1.786 1.00 0.00 C ATOM 1215 CD1 TYR A 80 -4.081 -12.568 -2.085 1.00 0.00 C ATOM 1216 CD2 TYR A 80 -3.447 -10.218 -2.004 1.00 0.00 C ATOM 1217 CE1 TYR A 80 -2.827 -12.890 -2.628 1.00 0.00 C ATOM 1218 CE2 TYR A 80 -2.194 -10.543 -2.539 1.00 0.00 C ATOM 1219 CZ TYR A 80 -1.890 -11.872 -2.866 1.00 0.00 C ATOM 1220 OH TYR A 80 -0.682 -12.162 -3.417 1.00 0.00 O ATOM 0 H TYR A 80 -7.468 -10.733 0.401 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.554 -12.739 0.245 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.503 -11.140 -1.510 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.621 -9.834 -0.745 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -4.804 -13.347 -1.897 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -3.682 -9.193 -1.760 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.584 -13.916 -2.862 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -1.460 -9.767 -2.700 1.00 0.00 H new ATOM 0 HH TYR A 80 -0.198 -11.330 -3.600 1.00 0.00 H new ATOM 1230 N VAL A 81 -4.491 -10.178 1.951 1.00 0.00 N ATOM 1231 CA VAL A 81 -3.359 -9.786 2.769 1.00 0.00 C ATOM 1232 C VAL A 81 -3.194 -10.682 3.992 1.00 0.00 C ATOM 1233 O VAL A 81 -2.077 -10.786 4.501 1.00 0.00 O ATOM 1234 CB VAL A 81 -3.504 -8.331 3.196 1.00 0.00 C ATOM 1235 CG1 VAL A 81 -3.726 -7.484 1.956 1.00 0.00 C ATOM 1236 CG2 VAL A 81 -4.708 -8.201 4.115 1.00 0.00 C ATOM 0 H VAL A 81 -5.301 -9.559 1.997 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.461 -9.900 2.162 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.607 -8.000 3.720 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.832 -6.438 2.244 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.874 -7.591 1.285 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.632 -7.814 1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.819 -7.162 4.425 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.606 -8.519 3.585 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.564 -8.829 4.994 1.00 0.00 H new ATOM 1246 N GLN A 82 -4.267 -11.334 4.453 1.00 0.00 N ATOM 1247 CA GLN A 82 -4.235 -12.070 5.706 1.00 0.00 C ATOM 1248 C GLN A 82 -4.399 -13.590 5.631 1.00 0.00 C ATOM 1249 O GLN A 82 -3.711 -14.315 6.343 1.00 0.00 O ATOM 1250 CB GLN A 82 -5.388 -11.538 6.557 1.00 0.00 C ATOM 1251 CG GLN A 82 -6.714 -11.793 5.849 1.00 0.00 C ATOM 1252 CD GLN A 82 -7.786 -12.182 6.845 1.00 0.00 C ATOM 1253 OE1 GLN A 82 -7.564 -12.999 7.732 1.00 0.00 O ATOM 1254 NE2 GLN A 82 -8.948 -11.563 6.712 1.00 0.00 N ATOM 0 H GLN A 82 -5.166 -11.362 3.971 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.234 -11.913 6.108 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.387 -12.025 7.532 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.259 -10.470 6.733 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.021 -10.898 5.308 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.591 -12.586 5.111 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -9.084 -10.891 5.957 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.707 -11.758 7.364 1.00 0.00 H new ATOM 1263 N GLU A 83 -5.324 -14.065 4.797 1.00 0.00 N ATOM 1264 CA GLU A 83 -5.864 -15.415 4.847 1.00 0.00 C ATOM 1265 C GLU A 83 -5.007 -16.537 4.266 1.00 0.00 C ATOM 1266 O GLU A 83 -5.333 -17.707 4.444 1.00 0.00 O ATOM 1267 CB GLU A 83 -7.244 -15.362 4.193 1.00 0.00 C ATOM 1268 CG GLU A 83 -7.141 -15.217 2.675 1.00 0.00 C ATOM 1269 CD GLU A 83 -8.505 -14.991 2.044 1.00 0.00 C ATOM 1270 OE1 GLU A 83 -9.384 -14.472 2.766 1.00 0.00 O ATOM 1271 OE2 GLU A 83 -8.642 -15.330 0.850 1.00 0.00 O ATOM 0 H GLU A 83 -5.727 -13.502 4.048 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.901 -15.699 5.899 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.798 -16.269 4.436 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.809 -14.524 4.602 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.484 -14.382 2.432 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -6.687 -16.114 2.253 1.00 0.00 H new ATOM 1278 N GLU A 84 -3.941 -16.204 3.548 1.00 0.00 N ATOM 1279 CA GLU A 84 -3.074 -17.211 2.972 1.00 0.00 C ATOM 1280 C GLU A 84 -1.723 -17.099 3.663 1.00 0.00 C ATOM 1281 O GLU A 84 -1.639 -17.269 4.875 1.00 0.00 O ATOM 1282 CB GLU A 84 -3.031 -17.094 1.438 1.00 0.00 C ATOM 1283 CG GLU A 84 -2.846 -15.673 0.886 1.00 0.00 C ATOM 1284 CD GLU A 84 -4.186 -14.968 0.695 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -4.655 -14.346 1.670 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -4.723 -15.073 -0.428 1.00 0.00 O ATOM 0 H GLU A 84 -3.661 -15.243 3.354 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.452 -18.219 3.145 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.218 -17.718 1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.957 -17.504 1.034 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.224 -15.095 1.569 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.318 -15.717 -0.067 1.00 0.00 H new ATOM 1293 N VAL A 85 -0.685 -16.758 2.906 1.00 0.00 N ATOM 1294 CA VAL A 85 0.674 -16.508 3.362 1.00 0.00 C ATOM 1295 C VAL A 85 1.430 -16.033 2.132 1.00 0.00 C ATOM 1296 O VAL A 85 1.261 -16.628 1.022 1.00 0.00 O ATOM 1297 CB VAL A 85 1.349 -17.801 3.972 1.00 0.00 C ATOM 1298 CG1 VAL A 85 1.028 -18.110 5.460 1.00 0.00 C ATOM 1299 CG2 VAL A 85 1.017 -19.103 3.204 1.00 0.00 C ATOM 1300 OXT VAL A 85 2.225 -15.047 2.213 1.00 0.00 O ATOM 0 H VAL A 85 -0.778 -16.642 1.897 1.00 0.00 H new ATOM 0 HA VAL A 85 0.684 -15.770 4.165 1.00 0.00 H new ATOM 0 HB VAL A 85 2.399 -17.526 3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.548 -19.019 5.763 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.357 -17.279 6.083 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.046 -18.249 5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.516 -19.945 3.683 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.061 -19.267 3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.361 -19.015 2.173 1.00 0.00 H new TER 1310 VAL A 85