USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 SER OG : rot 120:sc= 0.0941 USER MOD Set 1.2: A 74 GLN : amide:sc= -0.411 K(o=-0.32,f=-0.92) USER MOD Set 2.1: A 33 ASN : amide:sc= -0.71 K(o=-0.74,f=-4.4!) USER MOD Set 2.2: A 36 THR OG1 : rot 180:sc= -0.0279 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.00544) USER MOD Single : A 9 CYS SG : rot 180:sc= -0.295 USER MOD Single : A 14 THR OG1 : rot 50:sc= 0.873 USER MOD Single : A 17 CYS SG : rot 81:sc= 0.219 USER MOD Single : A 18 LYS NZ :NH3+ 157:sc= -0.0673 (180deg=-0.433) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN :FLIP amide:sc= 0.692 F(o=-0.13,f=0.69) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 154:sc= 0.0344 (180deg=0.00155) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -140:sc= -0.212 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.78 USER MOD Single : A 61 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0744) USER MOD Single : A 64 LYS NZ :NH3+ 158:sc= -0.0478 (180deg=-0.326) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 -0.302 0.288 -2.471 1.00 0.00 N ATOM 19 CA ARG A 2 -1.348 0.359 -3.485 1.00 0.00 C ATOM 20 C ARG A 2 -0.833 1.042 -4.749 1.00 0.00 C ATOM 21 O ARG A 2 -1.122 0.604 -5.863 1.00 0.00 O ATOM 22 CB ARG A 2 -2.563 1.115 -2.943 1.00 0.00 C ATOM 23 CG ARG A 2 -2.225 2.482 -2.373 1.00 0.00 C ATOM 24 CD ARG A 2 -3.395 3.068 -1.599 1.00 0.00 C ATOM 25 NE ARG A 2 -3.127 4.432 -1.150 1.00 0.00 N ATOM 26 CZ ARG A 2 -2.410 4.722 -0.070 1.00 0.00 C ATOM 27 NH1 ARG A 2 -1.891 3.750 0.667 1.00 0.00 N ATOM 28 NH2 ARG A 2 -2.210 5.988 0.274 1.00 0.00 N ATOM 0 HA ARG A 2 -1.645 -0.659 -3.737 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.293 1.235 -3.744 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.037 0.514 -2.167 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -1.358 2.400 -1.717 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -1.949 3.157 -3.183 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.285 3.062 -2.228 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -3.610 2.438 -0.736 1.00 0.00 H new ATOM 0 HE ARG A 2 -3.511 5.204 -1.695 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -2.042 2.776 0.405 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -1.341 3.976 1.496 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -2.607 6.739 -0.291 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -1.659 6.210 1.103 1.00 0.00 H new ATOM 42 N GLU A 3 -0.071 2.115 -4.568 1.00 0.00 N ATOM 43 CA GLU A 3 0.482 2.858 -5.694 1.00 0.00 C ATOM 44 C GLU A 3 1.486 2.008 -6.466 1.00 0.00 C ATOM 45 O GLU A 3 1.602 2.121 -7.686 1.00 0.00 O ATOM 46 CB GLU A 3 1.154 4.143 -5.206 1.00 0.00 C ATOM 47 CG GLU A 3 2.103 4.758 -6.221 1.00 0.00 C ATOM 48 CD GLU A 3 1.418 5.091 -7.532 1.00 0.00 C ATOM 49 OE1 GLU A 3 0.182 5.265 -7.529 1.00 0.00 O ATOM 50 OE2 GLU A 3 2.120 5.179 -8.562 1.00 0.00 O ATOM 0 H GLU A 3 0.178 2.490 -3.652 1.00 0.00 H new ATOM 0 HA GLU A 3 -0.339 3.117 -6.363 1.00 0.00 H new ATOM 0 HB2 GLU A 3 0.384 4.872 -4.953 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.704 3.930 -4.290 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.539 5.665 -5.802 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.925 4.067 -6.410 1.00 0.00 H new ATOM 57 N GLU A 4 2.211 1.158 -5.745 1.00 0.00 N ATOM 58 CA GLU A 4 3.206 0.289 -6.362 1.00 0.00 C ATOM 59 C GLU A 4 2.539 -0.766 -7.240 1.00 0.00 C ATOM 60 O GLU A 4 2.969 -1.013 -8.366 1.00 0.00 O ATOM 61 CB GLU A 4 4.059 -0.390 -5.289 1.00 0.00 C ATOM 62 CG GLU A 4 5.115 0.520 -4.684 1.00 0.00 C ATOM 63 CD GLU A 4 6.042 1.112 -5.728 1.00 0.00 C ATOM 64 OE1 GLU A 4 6.945 0.388 -6.198 1.00 0.00 O ATOM 65 OE2 GLU A 4 5.865 2.298 -6.076 1.00 0.00 O ATOM 0 H GLU A 4 2.128 1.053 -4.734 1.00 0.00 H new ATOM 0 HA GLU A 4 3.849 0.906 -6.990 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.407 -0.754 -4.495 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.548 -1.262 -5.724 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.625 1.327 -4.139 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.703 -0.043 -3.959 1.00 0.00 H new ATOM 72 N MET A 5 1.486 -1.384 -6.716 1.00 0.00 N ATOM 73 CA MET A 5 0.759 -2.412 -7.451 1.00 0.00 C ATOM 74 C MET A 5 0.061 -1.817 -8.670 1.00 0.00 C ATOM 75 O MET A 5 0.099 -2.388 -9.760 1.00 0.00 O ATOM 76 CB MET A 5 -0.267 -3.091 -6.542 1.00 0.00 C ATOM 77 CG MET A 5 0.329 -3.634 -5.253 1.00 0.00 C ATOM 78 SD MET A 5 1.400 -5.058 -5.530 1.00 0.00 S ATOM 79 CE MET A 5 2.828 -4.603 -4.548 1.00 0.00 C ATOM 0 H MET A 5 1.117 -1.191 -5.785 1.00 0.00 H new ATOM 0 HA MET A 5 1.478 -3.156 -7.793 1.00 0.00 H new ATOM 0 HB2 MET A 5 -1.052 -2.376 -6.297 1.00 0.00 H new ATOM 0 HB3 MET A 5 -0.739 -3.908 -7.087 1.00 0.00 H new ATOM 0 HG2 MET A 5 0.899 -2.846 -4.760 1.00 0.00 H new ATOM 0 HG3 MET A 5 -0.477 -3.916 -4.575 1.00 0.00 H new ATOM 0 HE1 MET A 5 3.582 -5.387 -4.617 1.00 0.00 H new ATOM 0 HE2 MET A 5 3.243 -3.667 -4.921 1.00 0.00 H new ATOM 0 HE3 MET A 5 2.529 -4.478 -3.507 1.00 0.00 H new ATOM 89 N VAL A 6 -0.576 -0.666 -8.478 1.00 0.00 N ATOM 90 CA VAL A 6 -1.282 0.006 -9.562 1.00 0.00 C ATOM 91 C VAL A 6 -0.318 0.437 -10.662 1.00 0.00 C ATOM 92 O VAL A 6 -0.570 0.215 -11.846 1.00 0.00 O ATOM 93 CB VAL A 6 -2.048 1.242 -9.052 1.00 0.00 C ATOM 94 CG1 VAL A 6 -2.723 1.966 -10.207 1.00 0.00 C ATOM 95 CG2 VAL A 6 -3.066 0.839 -7.996 1.00 0.00 C ATOM 0 H VAL A 6 -0.617 -0.180 -7.582 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.995 -0.712 -9.968 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.335 1.927 -8.593 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.259 2.836 -9.828 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.969 2.289 -10.925 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.426 1.293 -10.698 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.598 1.724 -7.647 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.777 0.134 -8.427 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.553 0.369 -7.157 1.00 0.00 H new ATOM 105 N LYS A 7 0.788 1.055 -10.263 1.00 0.00 N ATOM 106 CA LYS A 7 1.792 1.517 -11.213 1.00 0.00 C ATOM 107 C LYS A 7 2.387 0.346 -11.988 1.00 0.00 C ATOM 108 O LYS A 7 2.550 0.413 -13.207 1.00 0.00 O ATOM 109 CB LYS A 7 2.903 2.276 -10.484 1.00 0.00 C ATOM 110 CG LYS A 7 3.962 2.846 -11.412 1.00 0.00 C ATOM 111 CD LYS A 7 4.795 3.912 -10.721 1.00 0.00 C ATOM 112 CE LYS A 7 5.697 4.640 -11.706 1.00 0.00 C ATOM 113 NZ LYS A 7 6.976 3.912 -11.929 1.00 0.00 N ATOM 0 H LYS A 7 1.012 1.248 -9.287 1.00 0.00 H new ATOM 0 HA LYS A 7 1.305 2.188 -11.920 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.459 3.089 -9.910 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.381 1.606 -9.770 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.613 2.043 -11.759 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.483 3.272 -12.294 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.136 4.629 -10.231 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.402 3.452 -9.941 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.176 4.759 -12.656 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.910 5.641 -11.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.563 4.440 -12.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.485 3.821 -11.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.775 2.965 -12.310 1.00 0.00 H new ATOM 127 N LYS A 8 2.708 -0.728 -11.275 1.00 0.00 N ATOM 128 CA LYS A 8 3.281 -1.916 -11.895 1.00 0.00 C ATOM 129 C LYS A 8 2.326 -2.505 -12.929 1.00 0.00 C ATOM 130 O LYS A 8 2.727 -2.820 -14.050 1.00 0.00 O ATOM 131 CB LYS A 8 3.608 -2.966 -10.831 1.00 0.00 C ATOM 132 CG LYS A 8 4.699 -3.936 -11.248 1.00 0.00 C ATOM 133 CD LYS A 8 4.132 -5.115 -12.021 1.00 0.00 C ATOM 134 CE LYS A 8 5.062 -6.317 -11.967 1.00 0.00 C ATOM 135 NZ LYS A 8 4.958 -7.041 -10.670 1.00 0.00 N ATOM 0 H LYS A 8 2.581 -0.800 -10.266 1.00 0.00 H new ATOM 0 HA LYS A 8 4.201 -1.622 -12.401 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.914 -2.460 -9.915 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.704 -3.528 -10.597 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.434 -3.416 -11.863 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.223 -4.298 -10.363 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.160 -5.387 -11.610 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.969 -4.826 -13.059 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.823 -6.998 -12.783 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.090 -5.988 -12.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.861 -7.513 -10.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.738 -6.364 -9.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.202 -7.752 -10.729 1.00 0.00 H new ATOM 149 N CYS A 9 1.063 -2.651 -12.545 1.00 0.00 N ATOM 150 CA CYS A 9 0.051 -3.202 -13.439 1.00 0.00 C ATOM 151 C CYS A 9 -0.212 -2.259 -14.609 1.00 0.00 C ATOM 152 O CYS A 9 -0.411 -2.700 -15.742 1.00 0.00 O ATOM 153 CB CYS A 9 -1.249 -3.460 -12.674 1.00 0.00 C ATOM 154 SG CYS A 9 -2.576 -4.152 -13.688 1.00 0.00 S ATOM 0 H CYS A 9 0.715 -2.396 -11.621 1.00 0.00 H new ATOM 0 HA CYS A 9 0.425 -4.146 -13.834 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.043 -4.142 -11.849 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.592 -2.523 -12.235 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.632 -4.337 -12.953 1.00 0.00 H new ATOM 160 N LEU A 10 -0.212 -0.961 -14.328 1.00 0.00 N ATOM 161 CA LEU A 10 -0.452 0.044 -15.357 1.00 0.00 C ATOM 162 C LEU A 10 0.690 0.072 -16.368 1.00 0.00 C ATOM 163 O LEU A 10 0.462 0.115 -17.576 1.00 0.00 O ATOM 164 CB LEU A 10 -0.618 1.425 -14.720 1.00 0.00 C ATOM 165 CG LEU A 10 -1.379 2.460 -15.549 1.00 0.00 C ATOM 166 CD1 LEU A 10 -0.589 2.833 -16.794 1.00 0.00 C ATOM 167 CD2 LEU A 10 -2.756 1.932 -15.927 1.00 0.00 C ATOM 0 H LEU A 10 -0.048 -0.580 -13.396 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.370 -0.221 -15.881 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.132 1.304 -13.767 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.373 1.823 -14.500 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.509 3.357 -14.944 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.147 3.571 -17.371 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.374 3.253 -16.502 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.427 1.943 -17.402 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.284 2.682 -16.517 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.647 1.019 -16.513 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.324 1.716 -15.022 1.00 0.00 H new ATOM 179 N GLY A 11 1.920 0.046 -15.865 1.00 0.00 N ATOM 180 CA GLY A 11 3.079 0.066 -16.737 1.00 0.00 C ATOM 181 C GLY A 11 3.180 -1.179 -17.596 1.00 0.00 C ATOM 182 O GLY A 11 3.448 -1.093 -18.794 1.00 0.00 O ATOM 0 H GLY A 11 2.134 0.011 -14.868 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.031 0.945 -17.380 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.982 0.162 -16.134 1.00 0.00 H new ATOM 186 N GLU A 12 2.968 -2.339 -16.982 1.00 0.00 N ATOM 187 CA GLU A 12 3.039 -3.606 -17.699 1.00 0.00 C ATOM 188 C GLU A 12 1.909 -3.719 -18.718 1.00 0.00 C ATOM 189 O GLU A 12 2.112 -4.189 -19.838 1.00 0.00 O ATOM 190 CB GLU A 12 2.975 -4.778 -16.717 1.00 0.00 C ATOM 191 CG GLU A 12 4.335 -5.212 -16.197 1.00 0.00 C ATOM 192 CD GLU A 12 4.395 -6.694 -15.885 1.00 0.00 C ATOM 193 OE1 GLU A 12 3.336 -7.354 -15.941 1.00 0.00 O ATOM 194 OE2 GLU A 12 5.499 -7.194 -15.585 1.00 0.00 O ATOM 0 H GLU A 12 2.746 -2.427 -15.990 1.00 0.00 H new ATOM 0 HA GLU A 12 3.989 -3.640 -18.232 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.345 -4.499 -15.873 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.495 -5.625 -17.207 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.097 -4.969 -16.938 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.573 -4.645 -15.297 1.00 0.00 H new ATOM 201 N LEU A 13 0.718 -3.286 -18.321 1.00 0.00 N ATOM 202 CA LEU A 13 -0.447 -3.339 -19.198 1.00 0.00 C ATOM 203 C LEU A 13 -0.257 -2.432 -20.410 1.00 0.00 C ATOM 204 O LEU A 13 -0.590 -2.804 -21.536 1.00 0.00 O ATOM 205 CB LEU A 13 -1.706 -2.929 -18.432 1.00 0.00 C ATOM 206 CG LEU A 13 -2.414 -4.042 -17.659 1.00 0.00 C ATOM 207 CD1 LEU A 13 -3.603 -3.486 -16.891 1.00 0.00 C ATOM 208 CD2 LEU A 13 -2.858 -5.149 -18.605 1.00 0.00 C ATOM 0 H LEU A 13 0.533 -2.894 -17.398 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.561 -4.365 -19.549 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.439 -2.140 -17.730 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.414 -2.499 -19.140 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.710 -4.464 -16.942 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.094 -4.293 -16.347 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.259 -2.730 -16.186 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.309 -3.037 -17.589 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.360 -5.933 -18.038 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.545 -4.741 -19.346 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.987 -5.567 -19.110 1.00 0.00 H new ATOM 220 N THR A 14 0.281 -1.240 -20.172 1.00 0.00 N ATOM 221 CA THR A 14 0.517 -0.280 -21.243 1.00 0.00 C ATOM 222 C THR A 14 1.438 -0.862 -22.310 1.00 0.00 C ATOM 223 O THR A 14 1.197 -0.700 -23.506 1.00 0.00 O ATOM 224 CB THR A 14 1.134 1.024 -20.704 1.00 0.00 C ATOM 225 OG1 THR A 14 0.278 1.595 -19.708 1.00 0.00 O ATOM 226 CG2 THR A 14 1.351 2.025 -21.828 1.00 0.00 C ATOM 0 H THR A 14 0.562 -0.916 -19.246 1.00 0.00 H new ATOM 0 HA THR A 14 -0.453 -0.057 -21.686 1.00 0.00 H new ATOM 0 HB THR A 14 2.100 0.787 -20.259 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.031 0.907 -19.055 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.788 2.938 -21.423 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.026 1.598 -22.570 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.395 2.257 -22.298 1.00 0.00 H new ATOM 234 N GLU A 15 2.493 -1.539 -21.869 1.00 0.00 N ATOM 235 CA GLU A 15 3.450 -2.144 -22.787 1.00 0.00 C ATOM 236 C GLU A 15 2.819 -3.312 -23.539 1.00 0.00 C ATOM 237 O GLU A 15 2.969 -3.436 -24.755 1.00 0.00 O ATOM 238 CB GLU A 15 4.689 -2.622 -22.027 1.00 0.00 C ATOM 239 CG GLU A 15 5.392 -1.519 -21.254 1.00 0.00 C ATOM 240 CD GLU A 15 6.218 -2.052 -20.099 1.00 0.00 C ATOM 241 OE1 GLU A 15 6.702 -3.199 -20.194 1.00 0.00 O ATOM 242 OE2 GLU A 15 6.379 -1.320 -19.099 1.00 0.00 O ATOM 0 H GLU A 15 2.707 -1.682 -20.882 1.00 0.00 H new ATOM 0 HA GLU A 15 3.748 -1.386 -23.512 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.398 -3.411 -21.334 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.391 -3.063 -22.735 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.039 -0.961 -21.931 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.650 -0.818 -20.872 1.00 0.00 H new ATOM 249 N VAL A 16 2.112 -4.167 -22.807 1.00 0.00 N ATOM 250 CA VAL A 16 1.457 -5.325 -23.403 1.00 0.00 C ATOM 251 C VAL A 16 0.411 -4.898 -24.427 1.00 0.00 C ATOM 252 O VAL A 16 0.362 -5.429 -25.538 1.00 0.00 O ATOM 253 CB VAL A 16 0.783 -6.202 -22.332 1.00 0.00 C ATOM 254 CG1 VAL A 16 0.080 -7.387 -22.976 1.00 0.00 C ATOM 255 CG2 VAL A 16 1.805 -6.671 -21.307 1.00 0.00 C ATOM 0 H VAL A 16 1.978 -4.079 -21.800 1.00 0.00 H new ATOM 0 HA VAL A 16 2.233 -5.906 -23.901 1.00 0.00 H new ATOM 0 HB VAL A 16 0.033 -5.602 -21.816 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.390 -7.995 -22.203 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.682 -7.026 -23.667 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.807 -7.990 -23.520 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.311 -7.290 -20.558 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.579 -7.254 -21.806 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.258 -5.806 -20.822 1.00 0.00 H new ATOM 265 N CYS A 17 -0.423 -3.937 -24.047 1.00 0.00 N ATOM 266 CA CYS A 17 -1.469 -3.439 -24.932 1.00 0.00 C ATOM 267 C CYS A 17 -0.867 -2.736 -26.144 1.00 0.00 C ATOM 268 O CYS A 17 -1.339 -2.899 -27.269 1.00 0.00 O ATOM 269 CB CYS A 17 -2.391 -2.480 -24.177 1.00 0.00 C ATOM 270 SG CYS A 17 -3.352 -3.263 -22.861 1.00 0.00 S ATOM 0 H CYS A 17 -0.395 -3.487 -23.132 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.051 -4.292 -25.281 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.790 -1.679 -23.746 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.077 -2.018 -24.887 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.612 -3.390 -21.800 1.00 0.00 H new ATOM 276 N LYS A 18 0.179 -1.951 -25.907 1.00 0.00 N ATOM 277 CA LYS A 18 0.847 -1.221 -26.978 1.00 0.00 C ATOM 278 C LYS A 18 1.461 -2.183 -27.991 1.00 0.00 C ATOM 279 O LYS A 18 1.296 -2.015 -29.199 1.00 0.00 O ATOM 280 CB LYS A 18 1.933 -0.309 -26.402 1.00 0.00 C ATOM 281 CG LYS A 18 2.705 0.461 -27.459 1.00 0.00 C ATOM 282 CD LYS A 18 3.807 1.304 -26.841 1.00 0.00 C ATOM 283 CE LYS A 18 5.081 0.498 -26.643 1.00 0.00 C ATOM 284 NZ LYS A 18 5.698 0.108 -27.940 1.00 0.00 N ATOM 0 H LYS A 18 0.583 -1.804 -24.982 1.00 0.00 H new ATOM 0 HA LYS A 18 0.102 -0.611 -27.488 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.473 0.399 -25.713 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.631 -0.912 -25.821 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.138 -0.237 -28.175 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.022 1.104 -28.014 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.013 2.161 -27.482 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.471 1.697 -25.881 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.794 1.083 -26.063 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.858 -0.398 -26.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.711 -0.080 -27.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.234 -0.750 -28.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.581 0.880 -28.626 1.00 0.00 H new ATOM 298 N SER A 19 2.168 -3.191 -27.490 1.00 0.00 N ATOM 299 CA SER A 19 2.808 -4.178 -28.351 1.00 0.00 C ATOM 300 C SER A 19 1.768 -4.955 -29.153 1.00 0.00 C ATOM 301 O SER A 19 1.918 -5.153 -30.360 1.00 0.00 O ATOM 302 CB SER A 19 3.651 -5.144 -27.517 1.00 0.00 C ATOM 303 OG SER A 19 4.021 -6.283 -28.274 1.00 0.00 O ATOM 0 H SER A 19 2.312 -3.345 -26.492 1.00 0.00 H new ATOM 0 HA SER A 19 3.458 -3.649 -29.048 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.546 -4.635 -27.159 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.088 -5.456 -26.637 1.00 0.00 H new ATOM 0 HG SER A 19 4.560 -6.884 -27.719 1.00 0.00 H new ATOM 309 N LEU A 20 0.713 -5.393 -28.475 1.00 0.00 N ATOM 310 CA LEU A 20 -0.353 -6.149 -29.122 1.00 0.00 C ATOM 311 C LEU A 20 -1.033 -5.314 -30.203 1.00 0.00 C ATOM 312 O LEU A 20 -1.305 -5.802 -31.299 1.00 0.00 O ATOM 313 CB LEU A 20 -1.385 -6.602 -28.088 1.00 0.00 C ATOM 314 CG LEU A 20 -1.209 -8.020 -27.541 1.00 0.00 C ATOM 315 CD1 LEU A 20 0.058 -8.117 -26.706 1.00 0.00 C ATOM 316 CD2 LEU A 20 -2.423 -8.430 -26.721 1.00 0.00 C ATOM 0 H LEU A 20 0.573 -5.237 -27.477 1.00 0.00 H new ATOM 0 HA LEU A 20 0.091 -7.027 -29.591 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.361 -5.905 -27.250 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.376 -6.527 -28.536 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.117 -8.705 -28.384 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.166 -9.133 -26.326 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.921 -7.867 -27.323 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.003 -7.421 -25.869 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.280 -9.441 -26.340 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.547 -7.741 -25.885 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.313 -8.401 -27.350 1.00 0.00 H new ATOM 328 N GLY A 21 -1.303 -4.051 -29.886 1.00 0.00 N ATOM 329 CA GLY A 21 -1.947 -3.169 -30.841 1.00 0.00 C ATOM 330 C GLY A 21 -1.032 -2.788 -31.988 1.00 0.00 C ATOM 331 O GLY A 21 -1.492 -2.521 -33.098 1.00 0.00 O ATOM 0 H GLY A 21 -1.087 -3.624 -28.985 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.838 -3.656 -31.238 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.279 -2.265 -30.330 1.00 0.00 H new ATOM 335 N LYS A 22 0.269 -2.761 -31.720 1.00 0.00 N ATOM 336 CA LYS A 22 1.253 -2.410 -32.737 1.00 0.00 C ATOM 337 C LYS A 22 1.387 -3.523 -33.771 1.00 0.00 C ATOM 338 O LYS A 22 1.384 -3.268 -34.976 1.00 0.00 O ATOM 339 CB LYS A 22 2.612 -2.135 -32.089 1.00 0.00 C ATOM 340 CG LYS A 22 2.791 -0.696 -31.638 1.00 0.00 C ATOM 341 CD LYS A 22 3.032 0.232 -32.817 1.00 0.00 C ATOM 342 CE LYS A 22 4.472 0.155 -33.301 1.00 0.00 C ATOM 343 NZ LYS A 22 4.669 0.899 -34.576 1.00 0.00 N ATOM 0 H LYS A 22 0.667 -2.978 -30.806 1.00 0.00 H new ATOM 0 HA LYS A 22 0.910 -1.507 -33.242 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.735 -2.794 -31.230 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.401 -2.385 -32.799 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.904 -0.371 -31.094 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.631 -0.632 -30.946 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.358 -0.031 -33.632 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.798 1.257 -32.529 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.134 0.562 -32.537 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.752 -0.889 -33.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.663 0.822 -34.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.056 0.495 -35.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.426 1.900 -34.435 1.00 0.00 H new ATOM 357 N VAL A 23 1.504 -4.758 -33.294 1.00 0.00 N ATOM 358 CA VAL A 23 1.637 -5.910 -34.177 1.00 0.00 C ATOM 359 C VAL A 23 0.344 -6.166 -34.945 1.00 0.00 C ATOM 360 O VAL A 23 0.369 -6.501 -36.129 1.00 0.00 O ATOM 361 CB VAL A 23 2.013 -7.180 -33.391 1.00 0.00 C ATOM 362 CG1 VAL A 23 3.392 -7.032 -32.766 1.00 0.00 C ATOM 363 CG2 VAL A 23 0.967 -7.478 -32.328 1.00 0.00 C ATOM 0 H VAL A 23 1.509 -4.986 -32.300 1.00 0.00 H new ATOM 0 HA VAL A 23 2.436 -5.678 -34.881 1.00 0.00 H new ATOM 0 HB VAL A 23 2.042 -8.020 -34.085 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.641 -7.939 -32.215 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.131 -6.870 -33.550 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.393 -6.181 -32.085 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.249 -8.379 -31.783 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.903 -6.639 -31.635 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.002 -7.630 -32.804 1.00 0.00 H new ATOM 373 N PHE A 24 -0.784 -6.004 -34.262 1.00 0.00 N ATOM 374 CA PHE A 24 -2.088 -6.218 -34.880 1.00 0.00 C ATOM 375 C PHE A 24 -2.310 -5.243 -36.032 1.00 0.00 C ATOM 376 O PHE A 24 -3.143 -5.478 -36.907 1.00 0.00 O ATOM 377 CB PHE A 24 -3.200 -6.059 -33.841 1.00 0.00 C ATOM 378 CG PHE A 24 -4.482 -6.740 -34.226 1.00 0.00 C ATOM 379 CD1 PHE A 24 -4.520 -8.110 -34.429 1.00 0.00 C ATOM 380 CD2 PHE A 24 -5.649 -6.011 -34.386 1.00 0.00 C ATOM 381 CE1 PHE A 24 -5.698 -8.741 -34.783 1.00 0.00 C ATOM 382 CE2 PHE A 24 -6.830 -6.636 -34.739 1.00 0.00 C ATOM 383 CZ PHE A 24 -6.854 -8.002 -34.939 1.00 0.00 C ATOM 0 H PHE A 24 -0.822 -5.726 -33.281 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.113 -7.233 -35.276 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.856 -6.461 -32.888 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.394 -4.997 -33.687 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.618 -8.692 -34.309 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.636 -4.942 -34.233 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.714 -9.810 -34.937 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.733 -6.056 -34.858 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.776 -8.492 -35.217 1.00 0.00 H new ATOM 393 N GLY A 25 -1.559 -4.146 -36.025 1.00 0.00 N ATOM 394 CA GLY A 25 -1.688 -3.151 -37.074 1.00 0.00 C ATOM 395 C GLY A 25 -2.653 -2.042 -36.705 1.00 0.00 C ATOM 396 O GLY A 25 -3.414 -1.565 -37.547 1.00 0.00 O ATOM 0 H GLY A 25 -0.863 -3.928 -35.311 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.709 -2.721 -37.285 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.028 -3.635 -37.990 1.00 0.00 H new ATOM 400 N VAL A 26 -2.622 -1.629 -35.441 1.00 0.00 N ATOM 401 CA VAL A 26 -3.501 -0.569 -34.962 1.00 0.00 C ATOM 402 C VAL A 26 -2.837 0.233 -33.848 1.00 0.00 C ATOM 403 O VAL A 26 -1.661 0.034 -33.541 1.00 0.00 O ATOM 404 CB VAL A 26 -4.836 -1.137 -34.445 1.00 0.00 C ATOM 405 CG1 VAL A 26 -5.516 -1.968 -35.522 1.00 0.00 C ATOM 406 CG2 VAL A 26 -4.611 -1.962 -33.187 1.00 0.00 C ATOM 0 H VAL A 26 -1.998 -2.012 -34.731 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.698 0.086 -35.810 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.493 -0.304 -34.194 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.458 -2.361 -35.138 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.712 -1.344 -36.394 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.867 -2.796 -35.807 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.564 -2.356 -32.835 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.937 -2.789 -33.410 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.170 -1.333 -32.413 1.00 0.00 H new ATOM 416 N HIS A 27 -3.598 1.141 -33.246 1.00 0.00 N ATOM 417 CA HIS A 27 -3.084 1.974 -32.164 1.00 0.00 C ATOM 418 C HIS A 27 -3.583 1.475 -30.811 1.00 0.00 C ATOM 419 O HIS A 27 -4.620 0.818 -30.724 1.00 0.00 O ATOM 420 CB HIS A 27 -3.503 3.430 -32.370 1.00 0.00 C ATOM 421 CG HIS A 27 -2.943 4.044 -33.616 1.00 0.00 C ATOM 422 ND1 HIS A 27 -1.673 4.576 -33.688 1.00 0.00 N ATOM 423 CD2 HIS A 27 -3.487 4.206 -34.845 1.00 0.00 C ATOM 424 CE1 HIS A 27 -1.460 5.041 -34.906 1.00 0.00 C ATOM 425 NE2 HIS A 27 -2.546 4.829 -35.628 1.00 0.00 N ATOM 0 H HIS A 27 -4.573 1.319 -33.489 1.00 0.00 H new ATOM 0 HA HIS A 27 -1.996 1.912 -32.176 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.591 3.485 -32.405 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -3.182 4.017 -31.510 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.477 3.902 -35.153 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.553 5.514 -35.252 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -2.666 5.086 -36.608 1.00 0.00 H new ATOM 433 N TYR A 28 -2.837 1.791 -29.758 1.00 0.00 N ATOM 434 CA TYR A 28 -3.201 1.373 -28.410 1.00 0.00 C ATOM 435 C TYR A 28 -4.571 1.920 -28.021 1.00 0.00 C ATOM 436 O TYR A 28 -5.317 1.285 -27.276 1.00 0.00 O ATOM 437 CB TYR A 28 -2.148 1.843 -27.406 1.00 0.00 C ATOM 438 CG TYR A 28 -1.998 3.346 -27.344 1.00 0.00 C ATOM 439 CD1 TYR A 28 -2.815 4.113 -26.522 1.00 0.00 C ATOM 440 CD2 TYR A 28 -1.039 4.000 -28.108 1.00 0.00 C ATOM 441 CE1 TYR A 28 -2.682 5.486 -26.464 1.00 0.00 C ATOM 442 CE2 TYR A 28 -0.898 5.374 -28.055 1.00 0.00 C ATOM 443 CZ TYR A 28 -1.722 6.112 -27.231 1.00 0.00 C ATOM 444 OH TYR A 28 -1.586 7.480 -27.175 1.00 0.00 O ATOM 0 H TYR A 28 -1.976 2.336 -29.813 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.247 0.284 -28.395 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.411 1.472 -26.416 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.186 1.401 -27.667 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -3.567 3.627 -25.918 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.393 3.425 -28.754 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -3.327 6.067 -25.821 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.147 5.867 -28.655 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.864 7.762 -27.775 1.00 0.00 H new ATOM 454 N PHE A 29 -4.895 3.103 -28.532 1.00 0.00 N ATOM 455 CA PHE A 29 -6.175 3.738 -28.240 1.00 0.00 C ATOM 456 C PHE A 29 -7.313 3.029 -28.969 1.00 0.00 C ATOM 457 O PHE A 29 -8.481 3.187 -28.619 1.00 0.00 O ATOM 458 CB PHE A 29 -6.139 5.214 -28.639 1.00 0.00 C ATOM 459 CG PHE A 29 -6.405 6.151 -27.496 1.00 0.00 C ATOM 460 CD1 PHE A 29 -7.632 6.148 -26.851 1.00 0.00 C ATOM 461 CD2 PHE A 29 -5.429 7.036 -27.067 1.00 0.00 C ATOM 462 CE1 PHE A 29 -7.880 7.009 -25.798 1.00 0.00 C ATOM 463 CE2 PHE A 29 -5.671 7.899 -26.015 1.00 0.00 C ATOM 464 CZ PHE A 29 -6.898 7.886 -25.380 1.00 0.00 C ATOM 0 H PHE A 29 -4.289 3.642 -29.151 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.353 3.664 -27.167 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.163 5.443 -29.066 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.878 5.389 -29.421 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.403 5.465 -27.175 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.468 7.052 -27.560 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -8.840 6.996 -25.303 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.901 8.583 -25.689 1.00 0.00 H new ATOM 0 HZ PHE A 29 -7.089 8.560 -24.558 1.00 0.00 H new ATOM 474 N ASN A 30 -6.961 2.248 -29.985 1.00 0.00 N ATOM 475 CA ASN A 30 -7.952 1.516 -30.765 1.00 0.00 C ATOM 476 C ASN A 30 -8.361 0.229 -30.055 1.00 0.00 C ATOM 477 O ASN A 30 -9.360 -0.397 -30.409 1.00 0.00 O ATOM 478 CB ASN A 30 -7.400 1.191 -32.154 1.00 0.00 C ATOM 479 CG ASN A 30 -8.498 0.985 -33.180 1.00 0.00 C ATOM 480 OD1 ASN A 30 -8.523 1.837 -34.198 1.00 0.00 O flip ATOM 481 ND2 ASN A 30 -9.313 0.071 -33.057 1.00 0.00 N flip ATOM 0 H ASN A 30 -5.997 2.106 -30.287 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.834 2.148 -30.870 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.748 2.001 -32.481 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.787 0.292 -32.097 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.255 -0.560 -32.258 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.046 -0.056 -33.754 1.00 0.00 H new ATOM 488 N ILE A 31 -7.582 -0.158 -29.050 1.00 0.00 N ATOM 489 CA ILE A 31 -7.864 -1.369 -28.289 1.00 0.00 C ATOM 490 C ILE A 31 -8.265 -1.036 -26.856 1.00 0.00 C ATOM 491 O ILE A 31 -9.171 -1.652 -26.294 1.00 0.00 O ATOM 492 CB ILE A 31 -6.649 -2.315 -28.264 1.00 0.00 C ATOM 493 CG1 ILE A 31 -5.374 -1.533 -27.940 1.00 0.00 C ATOM 494 CG2 ILE A 31 -6.511 -3.034 -29.597 1.00 0.00 C ATOM 495 CD1 ILE A 31 -4.130 -2.393 -27.911 1.00 0.00 C ATOM 0 H ILE A 31 -6.751 0.349 -28.744 1.00 0.00 H new ATOM 0 HA ILE A 31 -8.693 -1.870 -28.789 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.803 -3.061 -27.485 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.243 -0.744 -28.680 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.492 -1.046 -26.972 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.648 -3.699 -29.564 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.411 -3.617 -29.791 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.375 -2.302 -30.393 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.265 -1.773 -27.675 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.240 -3.167 -27.151 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.987 -2.860 -28.886 1.00 0.00 H new ATOM 507 N PHE A 32 -7.584 -0.057 -26.269 1.00 0.00 N ATOM 508 CA PHE A 32 -7.869 0.359 -24.901 1.00 0.00 C ATOM 509 C PHE A 32 -7.552 1.838 -24.705 1.00 0.00 C ATOM 510 O PHE A 32 -6.616 2.368 -25.302 1.00 0.00 O ATOM 511 CB PHE A 32 -7.060 -0.483 -23.911 1.00 0.00 C ATOM 512 CG PHE A 32 -7.638 -1.849 -23.673 1.00 0.00 C ATOM 513 CD1 PHE A 32 -8.961 -1.998 -23.289 1.00 0.00 C ATOM 514 CD2 PHE A 32 -6.859 -2.983 -23.835 1.00 0.00 C ATOM 515 CE1 PHE A 32 -9.495 -3.254 -23.069 1.00 0.00 C ATOM 516 CE2 PHE A 32 -7.388 -4.241 -23.617 1.00 0.00 C ATOM 517 CZ PHE A 32 -8.708 -4.377 -23.234 1.00 0.00 C ATOM 0 H PHE A 32 -6.831 0.463 -26.720 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.932 0.206 -24.715 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.041 -0.588 -24.284 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.999 0.047 -22.961 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.582 -1.124 -23.160 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.826 -2.883 -24.135 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.527 -3.357 -22.768 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.770 -5.117 -23.746 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.124 -5.359 -23.064 1.00 0.00 H new ATOM 527 N ASN A 33 -8.341 2.500 -23.865 1.00 0.00 N ATOM 528 CA ASN A 33 -8.146 3.919 -23.590 1.00 0.00 C ATOM 529 C ASN A 33 -7.634 4.133 -22.169 1.00 0.00 C ATOM 530 O ASN A 33 -7.618 3.208 -21.356 1.00 0.00 O ATOM 531 CB ASN A 33 -9.456 4.683 -23.793 1.00 0.00 C ATOM 532 CG ASN A 33 -10.660 3.911 -23.290 1.00 0.00 C ATOM 533 OD1 ASN A 33 -11.108 4.105 -22.160 1.00 0.00 O ATOM 534 ND2 ASN A 33 -11.189 3.028 -24.129 1.00 0.00 N ATOM 0 H ASN A 33 -9.121 2.077 -23.363 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.399 4.300 -24.287 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.399 5.640 -23.275 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.585 4.902 -24.853 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.000 2.478 -23.846 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -10.785 2.900 -25.057 1.00 0.00 H new ATOM 541 N THR A 34 -7.215 5.360 -21.876 1.00 0.00 N ATOM 542 CA THR A 34 -6.701 5.697 -20.554 1.00 0.00 C ATOM 543 C THR A 34 -7.688 5.297 -19.463 1.00 0.00 C ATOM 544 O THR A 34 -7.296 4.775 -18.419 1.00 0.00 O ATOM 545 CB THR A 34 -6.403 7.203 -20.434 1.00 0.00 C ATOM 546 OG1 THR A 34 -6.034 7.524 -19.088 1.00 0.00 O ATOM 547 CG2 THR A 34 -7.613 8.029 -20.843 1.00 0.00 C ATOM 0 H THR A 34 -7.221 6.137 -22.537 1.00 0.00 H new ATOM 0 HA THR A 34 -5.773 5.140 -20.424 1.00 0.00 H new ATOM 0 HB THR A 34 -5.577 7.441 -21.104 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.845 8.483 -19.021 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.378 9.089 -20.750 1.00 0.00 H new ATOM 0 HG22 THR A 34 -7.874 7.805 -21.877 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.455 7.786 -20.195 1.00 0.00 H new ATOM 555 N VAL A 35 -8.970 5.545 -19.711 1.00 0.00 N ATOM 556 CA VAL A 35 -10.013 5.209 -18.749 1.00 0.00 C ATOM 557 C VAL A 35 -10.048 3.709 -18.477 1.00 0.00 C ATOM 558 O VAL A 35 -10.016 3.274 -17.325 1.00 0.00 O ATOM 559 CB VAL A 35 -11.400 5.662 -19.245 1.00 0.00 C ATOM 560 CG1 VAL A 35 -12.455 5.414 -18.178 1.00 0.00 C ATOM 561 CG2 VAL A 35 -11.369 7.129 -19.645 1.00 0.00 C ATOM 0 H VAL A 35 -9.311 5.977 -20.570 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.774 5.737 -17.826 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.662 5.075 -20.125 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.428 5.740 -18.546 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.493 4.350 -17.944 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.201 5.974 -17.278 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.357 7.432 -19.993 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.086 7.735 -18.784 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.643 7.273 -20.445 1.00 0.00 H new ATOM 571 N THR A 36 -10.112 2.921 -19.546 1.00 0.00 N ATOM 572 CA THR A 36 -10.151 1.469 -19.423 1.00 0.00 C ATOM 573 C THR A 36 -8.947 0.950 -18.646 1.00 0.00 C ATOM 574 O THR A 36 -9.091 0.162 -17.711 1.00 0.00 O ATOM 575 CB THR A 36 -10.187 0.789 -20.805 1.00 0.00 C ATOM 576 OG1 THR A 36 -11.191 1.398 -21.624 1.00 0.00 O ATOM 577 CG2 THR A 36 -10.471 -0.699 -20.668 1.00 0.00 C ATOM 0 H THR A 36 -10.138 3.264 -20.506 1.00 0.00 H new ATOM 0 HA THR A 36 -11.064 1.223 -18.880 1.00 0.00 H new ATOM 0 HB THR A 36 -9.211 0.915 -21.274 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.207 0.962 -22.501 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.492 -1.158 -21.656 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.689 -1.165 -20.068 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.436 -0.842 -20.181 1.00 0.00 H new ATOM 585 N LEU A 37 -7.759 1.397 -19.037 1.00 0.00 N ATOM 586 CA LEU A 37 -6.528 0.978 -18.376 1.00 0.00 C ATOM 587 C LEU A 37 -6.558 1.334 -16.893 1.00 0.00 C ATOM 588 O LEU A 37 -6.142 0.544 -16.045 1.00 0.00 O ATOM 589 CB LEU A 37 -5.318 1.633 -19.044 1.00 0.00 C ATOM 590 CG LEU A 37 -5.180 1.408 -20.550 1.00 0.00 C ATOM 591 CD1 LEU A 37 -4.475 2.587 -21.204 1.00 0.00 C ATOM 592 CD2 LEU A 37 -4.429 0.114 -20.829 1.00 0.00 C ATOM 0 H LEU A 37 -7.622 2.050 -19.809 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.445 -0.105 -18.470 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.363 2.706 -18.860 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.415 1.264 -18.557 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.179 1.325 -20.979 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.386 2.409 -22.276 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.052 3.496 -21.034 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.481 2.702 -20.772 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.340 -0.030 -21.906 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.434 0.168 -20.387 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.974 -0.724 -20.395 1.00 0.00 H new ATOM 604 N LYS A 38 -7.055 2.528 -16.586 1.00 0.00 N ATOM 605 CA LYS A 38 -7.143 2.989 -15.205 1.00 0.00 C ATOM 606 C LYS A 38 -8.061 2.085 -14.388 1.00 0.00 C ATOM 607 O LYS A 38 -7.759 1.748 -13.243 1.00 0.00 O ATOM 608 CB LYS A 38 -7.656 4.430 -15.159 1.00 0.00 C ATOM 609 CG LYS A 38 -7.170 5.209 -13.949 1.00 0.00 C ATOM 610 CD LYS A 38 -7.441 6.697 -14.099 1.00 0.00 C ATOM 611 CE LYS A 38 -6.379 7.374 -14.951 1.00 0.00 C ATOM 612 NZ LYS A 38 -6.838 8.694 -15.464 1.00 0.00 N ATOM 0 H LYS A 38 -7.403 3.194 -17.275 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.144 2.951 -14.771 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.341 4.948 -16.065 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.746 4.419 -15.160 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.665 4.837 -13.052 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.101 5.045 -13.814 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.421 6.845 -14.552 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.471 7.164 -13.114 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.472 7.509 -14.362 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.121 6.728 -15.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.086 9.123 -16.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.689 8.563 -16.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.060 9.319 -14.663 1.00 0.00 H new ATOM 626 N LYS A 39 -9.183 1.695 -14.984 1.00 0.00 N ATOM 627 CA LYS A 39 -10.144 0.828 -14.313 1.00 0.00 C ATOM 628 C LYS A 39 -9.529 -0.534 -14.009 1.00 0.00 C ATOM 629 O LYS A 39 -9.618 -1.030 -12.885 1.00 0.00 O ATOM 630 CB LYS A 39 -11.394 0.652 -15.179 1.00 0.00 C ATOM 631 CG LYS A 39 -12.362 1.819 -15.093 1.00 0.00 C ATOM 632 CD LYS A 39 -13.191 1.765 -13.821 1.00 0.00 C ATOM 633 CE LYS A 39 -14.224 2.880 -13.780 1.00 0.00 C ATOM 634 NZ LYS A 39 -15.521 2.456 -14.376 1.00 0.00 N ATOM 0 H LYS A 39 -9.449 1.966 -15.931 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.424 1.299 -13.371 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -11.091 0.518 -16.217 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -11.909 -0.260 -14.877 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -11.807 2.756 -15.127 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.023 1.809 -15.960 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.693 0.800 -13.754 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -12.535 1.844 -12.954 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.383 3.190 -12.747 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -13.843 3.748 -14.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.293 3.017 -13.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.496 2.607 -15.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.681 1.448 -14.177 1.00 0.00 H new ATOM 648 N LEU A 40 -8.902 -1.134 -15.015 1.00 0.00 N ATOM 649 CA LEU A 40 -8.270 -2.439 -14.854 1.00 0.00 C ATOM 650 C LEU A 40 -7.213 -2.400 -13.755 1.00 0.00 C ATOM 651 O LEU A 40 -7.305 -3.126 -12.766 1.00 0.00 O ATOM 652 CB LEU A 40 -7.635 -2.885 -16.172 1.00 0.00 C ATOM 653 CG LEU A 40 -8.567 -2.934 -17.384 1.00 0.00 C ATOM 654 CD1 LEU A 40 -7.768 -2.846 -18.675 1.00 0.00 C ATOM 655 CD2 LEU A 40 -9.407 -4.203 -17.360 1.00 0.00 C ATOM 0 H LEU A 40 -8.818 -0.738 -15.951 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.040 -3.156 -14.567 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.809 -2.211 -16.401 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.206 -3.877 -16.028 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.239 -2.077 -17.337 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.447 -2.882 -19.527 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.211 -1.909 -18.695 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.072 -3.683 -18.730 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.064 -4.221 -18.230 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.752 -5.074 -17.382 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.008 -4.224 -16.451 1.00 0.00 H new ATOM 667 N ALA A 41 -6.211 -1.546 -13.935 1.00 0.00 N ATOM 668 CA ALA A 41 -5.139 -1.409 -12.956 1.00 0.00 C ATOM 669 C ALA A 41 -5.697 -1.101 -11.571 1.00 0.00 C ATOM 670 O ALA A 41 -5.182 -1.585 -10.564 1.00 0.00 O ATOM 671 CB ALA A 41 -4.166 -0.322 -13.389 1.00 0.00 C ATOM 0 H ALA A 41 -6.119 -0.939 -14.749 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.606 -2.358 -12.901 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.371 -0.230 -12.649 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.735 -0.584 -14.355 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.695 0.627 -13.473 1.00 0.00 H new ATOM 677 N GLU A 42 -6.752 -0.293 -11.528 1.00 0.00 N ATOM 678 CA GLU A 42 -7.378 0.079 -10.265 1.00 0.00 C ATOM 679 C GLU A 42 -7.922 -1.151 -9.544 1.00 0.00 C ATOM 680 O GLU A 42 -7.708 -1.326 -8.345 1.00 0.00 O ATOM 681 CB GLU A 42 -8.506 1.084 -10.506 1.00 0.00 C ATOM 682 CG GLU A 42 -8.049 2.533 -10.470 1.00 0.00 C ATOM 683 CD GLU A 42 -9.130 3.496 -10.920 1.00 0.00 C ATOM 684 OE1 GLU A 42 -10.012 3.076 -11.697 1.00 0.00 O ATOM 685 OE2 GLU A 42 -9.093 4.670 -10.495 1.00 0.00 O ATOM 0 H GLU A 42 -7.191 0.116 -12.353 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.618 0.541 -9.635 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.962 0.880 -11.475 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.279 0.937 -9.752 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.740 2.788 -9.456 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.174 2.650 -11.109 1.00 0.00 H new ATOM 692 N SER A 43 -8.627 -2.000 -10.285 1.00 0.00 N ATOM 693 CA SER A 43 -9.207 -3.211 -9.716 1.00 0.00 C ATOM 694 C SER A 43 -8.120 -4.229 -9.384 1.00 0.00 C ATOM 695 O SER A 43 -8.071 -4.762 -8.274 1.00 0.00 O ATOM 696 CB SER A 43 -10.215 -3.825 -10.690 1.00 0.00 C ATOM 697 OG SER A 43 -11.362 -4.299 -10.005 1.00 0.00 O ATOM 0 H SER A 43 -8.810 -1.872 -11.280 1.00 0.00 H new ATOM 0 HA SER A 43 -9.721 -2.940 -8.794 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.511 -3.081 -11.429 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.747 -4.646 -11.233 1.00 0.00 H new ATOM 0 HG SER A 43 -11.992 -4.685 -10.649 1.00 0.00 H new ATOM 703 N LEU A 44 -7.250 -4.494 -10.352 1.00 0.00 N ATOM 704 CA LEU A 44 -6.162 -5.447 -10.164 1.00 0.00 C ATOM 705 C LEU A 44 -6.689 -6.776 -9.632 1.00 0.00 C ATOM 706 O LEU A 44 -6.733 -6.998 -8.422 1.00 0.00 O ATOM 707 CB LEU A 44 -5.119 -4.877 -9.201 1.00 0.00 C ATOM 708 CG LEU A 44 -3.881 -4.253 -9.846 1.00 0.00 C ATOM 709 CD1 LEU A 44 -3.300 -3.171 -8.950 1.00 0.00 C ATOM 710 CD2 LEU A 44 -2.838 -5.321 -10.141 1.00 0.00 C ATOM 0 H LEU A 44 -7.277 -4.062 -11.276 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.695 -5.624 -11.133 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.601 -4.121 -8.581 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.794 -5.676 -8.535 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.179 -3.794 -10.789 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.420 -2.739 -9.426 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.045 -2.392 -8.790 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.018 -3.606 -7.991 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.964 -4.859 -10.600 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.545 -5.810 -9.212 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.257 -6.061 -10.823 1.00 0.00 H new ATOM 722 N SER A 45 -7.086 -7.657 -10.544 1.00 0.00 N ATOM 723 CA SER A 45 -7.611 -8.964 -10.167 1.00 0.00 C ATOM 724 C SER A 45 -7.823 -9.841 -11.398 1.00 0.00 C ATOM 725 O SER A 45 -8.354 -9.388 -12.412 1.00 0.00 O ATOM 726 CB SER A 45 -8.929 -8.807 -9.406 1.00 0.00 C ATOM 727 OG SER A 45 -9.817 -7.945 -10.096 1.00 0.00 O ATOM 0 H SER A 45 -7.054 -7.490 -11.550 1.00 0.00 H new ATOM 0 HA SER A 45 -6.880 -9.448 -9.519 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.395 -9.784 -9.274 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.732 -8.410 -8.410 1.00 0.00 H new ATOM 0 HG SER A 45 -10.281 -7.370 -9.452 1.00 0.00 H new ATOM 733 N SER A 46 -7.403 -11.098 -11.300 1.00 0.00 N ATOM 734 CA SER A 46 -7.542 -12.038 -12.406 1.00 0.00 C ATOM 735 C SER A 46 -9.013 -12.296 -12.718 1.00 0.00 C ATOM 736 O SER A 46 -9.394 -12.456 -13.878 1.00 0.00 O ATOM 737 CB SER A 46 -6.842 -13.357 -12.073 1.00 0.00 C ATOM 738 OG SER A 46 -6.123 -13.260 -10.856 1.00 0.00 O ATOM 0 H SER A 46 -6.964 -11.489 -10.467 1.00 0.00 H new ATOM 0 HA SER A 46 -7.073 -11.597 -13.286 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.580 -14.156 -12.000 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.161 -13.625 -12.881 1.00 0.00 H new ATOM 0 HG SER A 46 -6.470 -13.918 -10.218 1.00 0.00 H new ATOM 744 N ASP A 47 -9.835 -12.334 -11.675 1.00 0.00 N ATOM 745 CA ASP A 47 -11.265 -12.572 -11.837 1.00 0.00 C ATOM 746 C ASP A 47 -11.838 -11.699 -12.949 1.00 0.00 C ATOM 747 O ASP A 47 -12.008 -10.489 -12.797 1.00 0.00 O ATOM 748 CB ASP A 47 -12.000 -12.296 -10.524 1.00 0.00 C ATOM 749 CG ASP A 47 -11.758 -13.374 -9.487 1.00 0.00 C ATOM 750 OD1 ASP A 47 -10.757 -13.270 -8.747 1.00 0.00 O ATOM 751 OD2 ASP A 47 -12.568 -14.322 -9.415 1.00 0.00 O ATOM 0 H ASP A 47 -9.536 -12.203 -10.709 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.407 -13.617 -12.111 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.677 -11.334 -10.126 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.069 -12.218 -10.719 1.00 0.00 H new ATOM 756 N PRO A 48 -12.143 -12.325 -14.095 1.00 0.00 N ATOM 757 CA PRO A 48 -12.701 -11.625 -15.256 1.00 0.00 C ATOM 758 C PRO A 48 -14.133 -11.157 -15.017 1.00 0.00 C ATOM 759 O PRO A 48 -14.701 -10.430 -15.830 1.00 0.00 O ATOM 760 CB PRO A 48 -12.662 -12.683 -16.361 1.00 0.00 C ATOM 761 CG PRO A 48 -12.701 -13.986 -15.640 1.00 0.00 C ATOM 762 CD PRO A 48 -11.966 -13.765 -14.346 1.00 0.00 C ATOM 0 HA PRO A 48 -12.142 -10.720 -15.494 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.510 -12.580 -17.038 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.759 -12.592 -16.965 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -13.729 -14.300 -15.457 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.228 -14.772 -16.228 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.383 -14.368 -13.539 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -10.913 -14.032 -14.432 1.00 0.00 H new ATOM 770 N GLU A 49 -14.709 -11.579 -13.896 1.00 0.00 N ATOM 771 CA GLU A 49 -16.075 -11.203 -13.551 1.00 0.00 C ATOM 772 C GLU A 49 -16.162 -9.717 -13.216 1.00 0.00 C ATOM 773 O GLU A 49 -17.023 -9.002 -13.729 1.00 0.00 O ATOM 774 CB GLU A 49 -16.574 -12.034 -12.368 1.00 0.00 C ATOM 775 CG GLU A 49 -16.404 -13.532 -12.561 1.00 0.00 C ATOM 776 CD GLU A 49 -16.669 -14.317 -11.291 1.00 0.00 C ATOM 777 OE1 GLU A 49 -16.021 -14.025 -10.265 1.00 0.00 O ATOM 778 OE2 GLU A 49 -17.526 -15.225 -11.325 1.00 0.00 O ATOM 0 H GLU A 49 -14.251 -12.181 -13.212 1.00 0.00 H new ATOM 0 HA GLU A 49 -16.708 -11.401 -14.416 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -16.038 -11.729 -11.469 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -17.629 -11.815 -12.200 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -17.082 -13.873 -13.343 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.391 -13.738 -12.906 1.00 0.00 H new ATOM 785 N VAL A 50 -15.263 -9.258 -12.350 1.00 0.00 N ATOM 786 CA VAL A 50 -15.237 -7.858 -11.945 1.00 0.00 C ATOM 787 C VAL A 50 -14.833 -6.957 -13.107 1.00 0.00 C ATOM 788 O VAL A 50 -15.306 -5.826 -13.224 1.00 0.00 O ATOM 789 CB VAL A 50 -14.264 -7.631 -10.773 1.00 0.00 C ATOM 790 CG1 VAL A 50 -14.830 -8.216 -9.488 1.00 0.00 C ATOM 791 CG2 VAL A 50 -12.902 -8.231 -11.087 1.00 0.00 C ATOM 0 H VAL A 50 -14.543 -9.836 -11.916 1.00 0.00 H new ATOM 0 HA VAL A 50 -16.247 -7.603 -11.625 1.00 0.00 H new ATOM 0 HB VAL A 50 -14.138 -6.558 -10.631 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -14.129 -8.046 -8.671 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -15.780 -7.735 -9.257 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.987 -9.287 -9.614 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.227 -8.061 -10.248 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -13.007 -9.303 -11.257 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -12.494 -7.760 -11.981 1.00 0.00 H new ATOM 801 N LEU A 51 -13.957 -7.466 -13.966 1.00 0.00 N ATOM 802 CA LEU A 51 -13.489 -6.708 -15.121 1.00 0.00 C ATOM 803 C LEU A 51 -14.614 -6.504 -16.130 1.00 0.00 C ATOM 804 O LEU A 51 -14.722 -5.445 -16.750 1.00 0.00 O ATOM 805 CB LEU A 51 -12.316 -7.429 -15.788 1.00 0.00 C ATOM 806 CG LEU A 51 -11.253 -7.996 -14.845 1.00 0.00 C ATOM 807 CD1 LEU A 51 -10.220 -8.794 -15.625 1.00 0.00 C ATOM 808 CD2 LEU A 51 -10.585 -6.878 -14.060 1.00 0.00 C ATOM 0 H LEU A 51 -13.556 -8.400 -13.885 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.156 -5.730 -14.772 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.713 -8.247 -16.390 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.831 -6.734 -16.474 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.742 -8.666 -14.138 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.472 -9.190 -14.938 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.711 -9.619 -16.141 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.735 -8.146 -16.355 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.832 -7.300 -13.395 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.109 -6.182 -14.751 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.334 -6.349 -13.471 1.00 0.00 H new ATOM 820 N LEU A 52 -15.451 -7.523 -16.289 1.00 0.00 N ATOM 821 CA LEU A 52 -16.571 -7.454 -17.222 1.00 0.00 C ATOM 822 C LEU A 52 -17.504 -6.300 -16.869 1.00 0.00 C ATOM 823 O LEU A 52 -18.234 -5.797 -17.723 1.00 0.00 O ATOM 824 CB LEU A 52 -17.347 -8.773 -17.215 1.00 0.00 C ATOM 825 CG LEU A 52 -18.298 -8.998 -18.391 1.00 0.00 C ATOM 826 CD1 LEU A 52 -18.353 -10.473 -18.757 1.00 0.00 C ATOM 827 CD2 LEU A 52 -19.689 -8.476 -18.060 1.00 0.00 C ATOM 0 H LEU A 52 -15.376 -8.406 -15.785 1.00 0.00 H new ATOM 0 HA LEU A 52 -16.170 -7.280 -18.221 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -16.630 -9.593 -17.192 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -17.924 -8.827 -16.292 1.00 0.00 H new ATOM 0 HG LEU A 52 -17.920 -8.445 -19.251 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -19.035 -10.615 -19.596 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -17.357 -10.816 -19.037 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -18.707 -11.047 -17.901 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -20.352 -8.645 -18.908 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -20.076 -9.001 -17.187 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -19.636 -7.408 -17.848 1.00 0.00 H new ATOM 839 N GLN A 53 -17.472 -5.885 -15.607 1.00 0.00 N ATOM 840 CA GLN A 53 -18.314 -4.789 -15.142 1.00 0.00 C ATOM 841 C GLN A 53 -17.692 -3.440 -15.488 1.00 0.00 C ATOM 842 O GLN A 53 -18.253 -2.389 -15.177 1.00 0.00 O ATOM 843 CB GLN A 53 -18.533 -4.891 -13.631 1.00 0.00 C ATOM 844 CG GLN A 53 -19.493 -5.999 -13.229 1.00 0.00 C ATOM 845 CD GLN A 53 -19.942 -5.886 -11.785 1.00 0.00 C ATOM 846 OE1 GLN A 53 -21.138 -5.846 -11.496 1.00 0.00 O ATOM 847 NE2 GLN A 53 -18.982 -5.835 -10.869 1.00 0.00 N ATOM 0 H GLN A 53 -16.872 -6.291 -14.888 1.00 0.00 H new ATOM 0 HA GLN A 53 -19.277 -4.865 -15.647 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -17.573 -5.059 -13.144 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -18.915 -3.939 -13.263 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -20.367 -5.972 -13.880 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -19.012 -6.965 -13.381 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -18.003 -5.871 -11.154 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -19.223 -5.760 -9.881 1.00 0.00 H new ATOM 856 N ILE A 54 -16.530 -3.478 -16.131 1.00 0.00 N ATOM 857 CA ILE A 54 -15.832 -2.259 -16.519 1.00 0.00 C ATOM 858 C ILE A 54 -16.177 -1.860 -17.950 1.00 0.00 C ATOM 859 O ILE A 54 -16.016 -2.649 -18.881 1.00 0.00 O ATOM 860 CB ILE A 54 -14.306 -2.420 -16.397 1.00 0.00 C ATOM 861 CG1 ILE A 54 -13.935 -2.933 -15.004 1.00 0.00 C ATOM 862 CG2 ILE A 54 -13.608 -1.099 -16.684 1.00 0.00 C ATOM 863 CD1 ILE A 54 -12.449 -3.144 -14.813 1.00 0.00 C ATOM 0 H ILE A 54 -16.052 -4.340 -16.394 1.00 0.00 H new ATOM 0 HA ILE A 54 -16.162 -1.476 -15.836 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.973 -3.151 -17.134 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.292 -2.223 -14.258 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.454 -3.874 -14.822 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.530 -1.230 -16.594 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.850 -0.772 -17.695 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.943 -0.347 -15.969 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.260 -3.508 -13.803 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.090 -3.876 -15.536 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.925 -2.200 -14.962 1.00 0.00 H new ATOM 875 N ASP A 55 -16.650 -0.630 -18.118 1.00 0.00 N ATOM 876 CA ASP A 55 -17.015 -0.124 -19.436 1.00 0.00 C ATOM 877 C ASP A 55 -15.842 -0.236 -20.405 1.00 0.00 C ATOM 878 O ASP A 55 -14.803 0.395 -20.213 1.00 0.00 O ATOM 879 CB ASP A 55 -17.475 1.331 -19.338 1.00 0.00 C ATOM 880 CG ASP A 55 -16.409 2.237 -18.753 1.00 0.00 C ATOM 881 OD1 ASP A 55 -16.378 2.393 -17.515 1.00 0.00 O ATOM 882 OD2 ASP A 55 -15.607 2.791 -19.534 1.00 0.00 O ATOM 0 H ASP A 55 -16.790 0.035 -17.358 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.836 -0.731 -19.816 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -17.749 1.690 -20.330 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -18.372 1.385 -18.721 1.00 0.00 H new ATOM 887 N GLY A 56 -16.015 -1.044 -21.446 1.00 0.00 N ATOM 888 CA GLY A 56 -14.962 -1.225 -22.428 1.00 0.00 C ATOM 889 C GLY A 56 -14.265 -2.564 -22.292 1.00 0.00 C ATOM 890 O GLY A 56 -13.039 -2.644 -22.356 1.00 0.00 O ATOM 0 H GLY A 56 -16.866 -1.577 -21.627 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.385 -1.139 -23.429 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.229 -0.425 -22.322 1.00 0.00 H new ATOM 894 N VAL A 57 -15.049 -3.621 -22.100 1.00 0.00 N ATOM 895 CA VAL A 57 -14.500 -4.964 -21.953 1.00 0.00 C ATOM 896 C VAL A 57 -15.465 -6.014 -22.492 1.00 0.00 C ATOM 897 O VAL A 57 -16.567 -6.188 -21.969 1.00 0.00 O ATOM 898 CB VAL A 57 -14.182 -5.282 -20.480 1.00 0.00 C ATOM 899 CG1 VAL A 57 -13.630 -6.693 -20.346 1.00 0.00 C ATOM 900 CG2 VAL A 57 -13.206 -4.262 -19.914 1.00 0.00 C ATOM 0 H VAL A 57 -16.066 -3.573 -22.043 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.576 -4.994 -22.531 1.00 0.00 H new ATOM 0 HB VAL A 57 -15.106 -5.223 -19.905 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.411 -6.900 -19.298 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.367 -7.408 -20.711 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.716 -6.783 -20.932 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -12.992 -4.502 -18.872 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.280 -4.286 -20.489 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.645 -3.266 -19.974 1.00 0.00 H new ATOM 910 N THR A 58 -15.045 -6.713 -23.542 1.00 0.00 N ATOM 911 CA THR A 58 -15.872 -7.746 -24.153 1.00 0.00 C ATOM 912 C THR A 58 -15.196 -9.110 -24.072 1.00 0.00 C ATOM 913 O THR A 58 -14.011 -9.207 -23.755 1.00 0.00 O ATOM 914 CB THR A 58 -16.176 -7.423 -25.628 1.00 0.00 C ATOM 915 OG1 THR A 58 -16.077 -6.012 -25.851 1.00 0.00 O ATOM 916 CG2 THR A 58 -17.566 -7.906 -26.012 1.00 0.00 C ATOM 0 H THR A 58 -14.137 -6.582 -23.987 1.00 0.00 H new ATOM 0 HA THR A 58 -16.808 -7.773 -23.595 1.00 0.00 H new ATOM 0 HB THR A 58 -15.445 -7.940 -26.249 1.00 0.00 H new ATOM 0 HG1 THR A 58 -16.270 -5.815 -26.791 1.00 0.00 H new ATOM 0 HG21 THR A 58 -17.758 -7.667 -27.058 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.629 -8.985 -25.869 1.00 0.00 H new ATOM 0 HG23 THR A 58 -18.309 -7.413 -25.385 1.00 0.00 H new ATOM 924 N GLU A 59 -15.958 -10.161 -24.360 1.00 0.00 N ATOM 925 CA GLU A 59 -15.430 -11.520 -24.320 1.00 0.00 C ATOM 926 C GLU A 59 -14.232 -11.667 -25.253 1.00 0.00 C ATOM 927 O GLU A 59 -13.216 -12.258 -24.888 1.00 0.00 O ATOM 928 CB GLU A 59 -16.518 -12.524 -24.706 1.00 0.00 C ATOM 929 CG GLU A 59 -16.198 -13.953 -24.302 1.00 0.00 C ATOM 930 CD GLU A 59 -16.881 -14.977 -25.188 1.00 0.00 C ATOM 931 OE1 GLU A 59 -18.106 -15.169 -25.036 1.00 0.00 O ATOM 932 OE2 GLU A 59 -16.192 -15.586 -26.033 1.00 0.00 O ATOM 0 H GLU A 59 -16.941 -10.098 -24.623 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.101 -11.725 -23.301 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -17.458 -12.226 -24.241 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -16.670 -12.486 -25.785 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.119 -14.105 -24.342 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -16.504 -14.111 -23.268 1.00 0.00 H new ATOM 939 N ASP A 60 -14.360 -11.125 -26.459 1.00 0.00 N ATOM 940 CA ASP A 60 -13.288 -11.195 -27.446 1.00 0.00 C ATOM 941 C ASP A 60 -12.087 -10.366 -27.003 1.00 0.00 C ATOM 942 O ASP A 60 -10.941 -10.801 -27.120 1.00 0.00 O ATOM 943 CB ASP A 60 -13.786 -10.706 -28.807 1.00 0.00 C ATOM 944 CG ASP A 60 -12.735 -10.840 -29.891 1.00 0.00 C ATOM 945 OD1 ASP A 60 -11.808 -11.660 -29.720 1.00 0.00 O ATOM 946 OD2 ASP A 60 -12.837 -10.124 -30.909 1.00 0.00 O ATOM 0 H ASP A 60 -15.195 -10.633 -26.777 1.00 0.00 H new ATOM 0 HA ASP A 60 -12.976 -12.236 -27.534 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.672 -11.274 -29.092 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.089 -9.662 -28.726 1.00 0.00 H new ATOM 951 N LYS A 61 -12.356 -9.168 -26.494 1.00 0.00 N ATOM 952 CA LYS A 61 -11.298 -8.277 -26.032 1.00 0.00 C ATOM 953 C LYS A 61 -10.517 -8.909 -24.885 1.00 0.00 C ATOM 954 O LYS A 61 -9.287 -8.965 -24.915 1.00 0.00 O ATOM 955 CB LYS A 61 -11.890 -6.939 -25.585 1.00 0.00 C ATOM 956 CG LYS A 61 -12.813 -6.307 -26.613 1.00 0.00 C ATOM 957 CD LYS A 61 -13.358 -4.974 -26.128 1.00 0.00 C ATOM 958 CE LYS A 61 -12.371 -3.845 -26.377 1.00 0.00 C ATOM 959 NZ LYS A 61 -12.318 -3.460 -27.815 1.00 0.00 N ATOM 0 H LYS A 61 -13.298 -8.792 -26.391 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.613 -8.105 -26.862 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.442 -7.088 -24.657 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.077 -6.247 -25.365 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.272 -6.161 -27.548 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.641 -6.984 -26.825 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.297 -4.757 -26.637 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.580 -5.036 -25.063 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.653 -2.978 -25.779 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.378 -4.151 -26.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.796 -2.566 -27.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.835 -4.205 -28.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -13.285 -3.340 -28.178 1.00 0.00 H new ATOM 973 N LEU A 62 -11.238 -9.384 -23.875 1.00 0.00 N ATOM 974 CA LEU A 62 -10.612 -10.013 -22.718 1.00 0.00 C ATOM 975 C LEU A 62 -9.977 -11.347 -23.100 1.00 0.00 C ATOM 976 O LEU A 62 -9.027 -11.798 -22.461 1.00 0.00 O ATOM 977 CB LEU A 62 -11.643 -10.226 -21.608 1.00 0.00 C ATOM 978 CG LEU A 62 -12.774 -11.206 -21.922 1.00 0.00 C ATOM 979 CD1 LEU A 62 -12.335 -12.635 -21.644 1.00 0.00 C ATOM 980 CD2 LEU A 62 -14.017 -10.862 -21.114 1.00 0.00 C ATOM 0 H LEU A 62 -12.256 -9.345 -23.834 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.828 -9.349 -22.355 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.121 -10.577 -20.718 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -12.084 -9.261 -21.359 1.00 0.00 H new ATOM 0 HG LEU A 62 -13.018 -11.122 -22.981 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -13.153 -13.318 -21.873 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.474 -12.879 -22.266 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -12.063 -12.734 -20.593 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -14.812 -11.570 -21.350 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -13.786 -10.917 -20.050 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.345 -9.852 -21.362 1.00 0.00 H new ATOM 992 N GLU A 63 -10.508 -11.970 -24.147 1.00 0.00 N ATOM 993 CA GLU A 63 -9.992 -13.251 -24.615 1.00 0.00 C ATOM 994 C GLU A 63 -8.664 -13.069 -25.344 1.00 0.00 C ATOM 995 O GLU A 63 -7.790 -13.936 -25.293 1.00 0.00 O ATOM 996 CB GLU A 63 -11.006 -13.928 -25.540 1.00 0.00 C ATOM 997 CG GLU A 63 -10.478 -15.190 -26.202 1.00 0.00 C ATOM 998 CD GLU A 63 -11.587 -16.071 -26.745 1.00 0.00 C ATOM 999 OE1 GLU A 63 -12.528 -15.527 -27.360 1.00 0.00 O ATOM 1000 OE2 GLU A 63 -11.513 -17.302 -26.555 1.00 0.00 O ATOM 0 H GLU A 63 -11.295 -11.609 -24.687 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.825 -13.886 -23.745 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.900 -14.175 -24.967 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.308 -13.221 -26.313 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.806 -14.916 -27.015 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.890 -15.756 -25.480 1.00 0.00 H new ATOM 1007 N LYS A 64 -8.519 -11.937 -26.023 1.00 0.00 N ATOM 1008 CA LYS A 64 -7.299 -11.638 -26.763 1.00 0.00 C ATOM 1009 C LYS A 64 -6.280 -10.936 -25.872 1.00 0.00 C ATOM 1010 O LYS A 64 -5.126 -11.356 -25.780 1.00 0.00 O ATOM 1011 CB LYS A 64 -7.616 -10.765 -27.979 1.00 0.00 C ATOM 1012 CG LYS A 64 -8.395 -11.491 -29.063 1.00 0.00 C ATOM 1013 CD LYS A 64 -7.560 -12.581 -29.714 1.00 0.00 C ATOM 1014 CE LYS A 64 -8.061 -12.906 -31.113 1.00 0.00 C ATOM 1015 NZ LYS A 64 -7.812 -11.789 -32.065 1.00 0.00 N ATOM 0 H LYS A 64 -9.233 -11.210 -26.076 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.870 -12.581 -27.102 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.187 -9.896 -27.653 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.683 -10.393 -28.402 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.296 -11.929 -28.634 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.718 -10.777 -29.821 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.519 -12.262 -29.764 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.589 -13.480 -29.098 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.568 -13.808 -31.475 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.129 -13.120 -31.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.810 -12.156 -33.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.561 -11.075 -31.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.890 -11.355 -31.857 1.00 0.00 H new ATOM 1029 N TYR A 65 -6.713 -9.865 -25.215 1.00 0.00 N ATOM 1030 CA TYR A 65 -5.838 -9.104 -24.332 1.00 0.00 C ATOM 1031 C TYR A 65 -6.031 -9.526 -22.878 1.00 0.00 C ATOM 1032 O TYR A 65 -5.070 -9.843 -22.179 1.00 0.00 O ATOM 1033 CB TYR A 65 -6.108 -7.606 -24.479 1.00 0.00 C ATOM 1034 CG TYR A 65 -6.774 -7.236 -25.785 1.00 0.00 C ATOM 1035 CD1 TYR A 65 -6.161 -7.507 -27.002 1.00 0.00 C ATOM 1036 CD2 TYR A 65 -8.018 -6.617 -25.802 1.00 0.00 C ATOM 1037 CE1 TYR A 65 -6.766 -7.170 -28.198 1.00 0.00 C ATOM 1038 CE2 TYR A 65 -8.632 -6.278 -26.993 1.00 0.00 C ATOM 1039 CZ TYR A 65 -8.001 -6.556 -28.188 1.00 0.00 C ATOM 1040 OH TYR A 65 -8.608 -6.221 -29.377 1.00 0.00 O ATOM 0 H TYR A 65 -7.665 -9.505 -25.278 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.807 -9.311 -24.618 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.738 -7.276 -23.653 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.165 -7.066 -24.396 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.195 -7.989 -27.014 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.514 -6.397 -24.868 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.275 -7.386 -29.135 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.600 -5.798 -26.988 1.00 0.00 H new ATOM 0 HH TYR A 65 -9.473 -5.797 -29.195 1.00 0.00 H new ATOM 1050 N GLY A 66 -7.284 -9.527 -22.431 1.00 0.00 N ATOM 1051 CA GLY A 66 -7.582 -9.912 -21.064 1.00 0.00 C ATOM 1052 C GLY A 66 -6.807 -11.139 -20.624 1.00 0.00 C ATOM 1053 O GLY A 66 -6.454 -11.271 -19.453 1.00 0.00 O ATOM 0 H GLY A 66 -8.097 -9.268 -22.991 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.350 -9.081 -20.397 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.650 -10.108 -20.970 1.00 0.00 H new ATOM 1057 N ALA A 67 -6.544 -12.039 -21.566 1.00 0.00 N ATOM 1058 CA ALA A 67 -5.806 -13.261 -21.270 1.00 0.00 C ATOM 1059 C ALA A 67 -4.504 -12.952 -20.538 1.00 0.00 C ATOM 1060 O ALA A 67 -4.230 -13.514 -19.478 1.00 0.00 O ATOM 1061 CB ALA A 67 -5.524 -14.031 -22.551 1.00 0.00 C ATOM 0 H ALA A 67 -6.831 -11.945 -22.540 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.422 -13.879 -20.617 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.972 -14.941 -22.315 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.466 -14.293 -23.033 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.931 -13.412 -23.225 1.00 0.00 H new ATOM 1067 N GLU A 68 -3.707 -12.057 -21.111 1.00 0.00 N ATOM 1068 CA GLU A 68 -2.433 -11.675 -20.512 1.00 0.00 C ATOM 1069 C GLU A 68 -2.647 -10.996 -19.163 1.00 0.00 C ATOM 1070 O GLU A 68 -1.860 -11.174 -18.233 1.00 0.00 O ATOM 1071 CB GLU A 68 -1.663 -10.742 -21.449 1.00 0.00 C ATOM 1072 CG GLU A 68 -1.403 -11.337 -22.823 1.00 0.00 C ATOM 1073 CD GLU A 68 -0.865 -12.753 -22.753 1.00 0.00 C ATOM 1074 OE1 GLU A 68 0.000 -13.018 -21.892 1.00 0.00 O ATOM 1075 OE2 GLU A 68 -1.311 -13.597 -23.559 1.00 0.00 O ATOM 0 H GLU A 68 -3.920 -11.583 -21.989 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.849 -12.582 -20.354 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.223 -9.814 -21.564 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.710 -10.484 -20.988 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.329 -11.332 -23.398 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.692 -10.708 -23.359 1.00 0.00 H new ATOM 1082 N VAL A 69 -3.719 -10.215 -19.064 1.00 0.00 N ATOM 1083 CA VAL A 69 -4.038 -9.509 -17.829 1.00 0.00 C ATOM 1084 C VAL A 69 -4.314 -10.486 -16.692 1.00 0.00 C ATOM 1085 O VAL A 69 -3.774 -10.346 -15.595 1.00 0.00 O ATOM 1086 CB VAL A 69 -5.261 -8.589 -18.009 1.00 0.00 C ATOM 1087 CG1 VAL A 69 -5.490 -7.755 -16.758 1.00 0.00 C ATOM 1088 CG2 VAL A 69 -5.083 -7.699 -19.229 1.00 0.00 C ATOM 0 H VAL A 69 -4.380 -10.056 -19.824 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.168 -8.901 -17.578 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.142 -9.211 -18.168 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.358 -7.111 -16.904 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.666 -8.415 -15.908 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.611 -7.140 -16.564 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.956 -7.056 -19.341 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.192 -7.083 -19.103 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.973 -8.319 -20.119 1.00 0.00 H new ATOM 1098 N ILE A 70 -5.157 -11.477 -16.963 1.00 0.00 N ATOM 1099 CA ILE A 70 -5.503 -12.479 -15.962 1.00 0.00 C ATOM 1100 C ILE A 70 -4.291 -13.329 -15.594 1.00 0.00 C ATOM 1101 O ILE A 70 -4.057 -13.619 -14.421 1.00 0.00 O ATOM 1102 CB ILE A 70 -6.632 -13.402 -16.457 1.00 0.00 C ATOM 1103 CG1 ILE A 70 -7.889 -12.587 -16.764 1.00 0.00 C ATOM 1104 CG2 ILE A 70 -6.930 -14.476 -15.422 1.00 0.00 C ATOM 1105 CD1 ILE A 70 -9.084 -13.436 -17.138 1.00 0.00 C ATOM 0 H ILE A 70 -5.613 -11.607 -17.866 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.847 -11.939 -15.080 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.306 -13.890 -17.375 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.142 -11.982 -15.893 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -7.674 -11.897 -17.580 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.730 -15.120 -15.786 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.034 -15.072 -15.248 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.239 -14.006 -14.489 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.939 -12.791 -17.342 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.850 -14.021 -18.027 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.325 -14.108 -16.314 1.00 0.00 H new ATOM 1117 N SER A 71 -3.523 -13.724 -16.604 1.00 0.00 N ATOM 1118 CA SER A 71 -2.336 -14.543 -16.387 1.00 0.00 C ATOM 1119 C SER A 71 -1.361 -13.847 -15.442 1.00 0.00 C ATOM 1120 O SER A 71 -0.876 -14.444 -14.481 1.00 0.00 O ATOM 1121 CB SER A 71 -1.646 -14.842 -17.719 1.00 0.00 C ATOM 1122 OG SER A 71 -0.789 -15.965 -17.609 1.00 0.00 O ATOM 0 H SER A 71 -3.701 -13.490 -17.581 1.00 0.00 H new ATOM 0 HA SER A 71 -2.651 -15.481 -15.930 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.397 -15.027 -18.487 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.072 -13.972 -18.038 1.00 0.00 H new ATOM 0 HG SER A 71 -0.361 -16.136 -18.474 1.00 0.00 H new ATOM 1128 N VAL A 72 -1.079 -12.578 -15.722 1.00 0.00 N ATOM 1129 CA VAL A 72 -0.164 -11.799 -14.898 1.00 0.00 C ATOM 1130 C VAL A 72 -0.714 -11.614 -13.488 1.00 0.00 C ATOM 1131 O VAL A 72 -0.015 -11.847 -12.501 1.00 0.00 O ATOM 1132 CB VAL A 72 0.108 -10.414 -15.516 1.00 0.00 C ATOM 1133 CG1 VAL A 72 1.037 -9.604 -14.624 1.00 0.00 C ATOM 1134 CG2 VAL A 72 0.691 -10.561 -16.913 1.00 0.00 C ATOM 0 H VAL A 72 -1.472 -12.068 -16.514 1.00 0.00 H new ATOM 0 HA VAL A 72 0.771 -12.358 -14.850 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.838 -9.878 -15.596 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.218 -8.629 -15.077 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.576 -9.470 -13.645 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.984 -10.132 -14.510 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.877 -9.574 -17.335 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.628 -11.115 -16.860 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.014 -11.099 -17.547 1.00 0.00 H new ATOM 1144 N LEU A 73 -1.972 -11.195 -13.401 1.00 0.00 N ATOM 1145 CA LEU A 73 -2.619 -10.980 -12.111 1.00 0.00 C ATOM 1146 C LEU A 73 -2.672 -12.274 -11.306 1.00 0.00 C ATOM 1147 O LEU A 73 -2.656 -12.251 -10.075 1.00 0.00 O ATOM 1148 CB LEU A 73 -4.033 -10.432 -12.312 1.00 0.00 C ATOM 1149 CG LEU A 73 -4.130 -8.979 -12.777 1.00 0.00 C ATOM 1150 CD1 LEU A 73 -5.427 -8.746 -13.536 1.00 0.00 C ATOM 1151 CD2 LEU A 73 -4.026 -8.031 -11.591 1.00 0.00 C ATOM 0 H LEU A 73 -2.564 -10.998 -14.208 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.030 -10.251 -11.554 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.544 -11.061 -13.041 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.576 -10.528 -11.372 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.298 -8.778 -13.451 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.478 -7.706 -13.859 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.460 -9.399 -14.408 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.274 -8.966 -12.886 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.097 -7.001 -11.941 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.837 -8.233 -10.891 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.069 -8.179 -11.090 1.00 0.00 H new ATOM 1163 N GLN A 74 -2.734 -13.400 -12.009 1.00 0.00 N ATOM 1164 CA GLN A 74 -2.789 -14.704 -11.358 1.00 0.00 C ATOM 1165 C GLN A 74 -1.440 -15.062 -10.743 1.00 0.00 C ATOM 1166 O GLN A 74 -1.343 -15.332 -9.546 1.00 0.00 O ATOM 1167 CB GLN A 74 -3.207 -15.781 -12.361 1.00 0.00 C ATOM 1168 CG GLN A 74 -4.652 -16.228 -12.206 1.00 0.00 C ATOM 1169 CD GLN A 74 -4.974 -16.682 -10.795 1.00 0.00 C ATOM 1170 OE1 GLN A 74 -4.104 -17.174 -10.076 1.00 0.00 O ATOM 1171 NE2 GLN A 74 -6.228 -16.518 -10.392 1.00 0.00 N ATOM 0 H GLN A 74 -2.747 -13.436 -13.028 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.530 -14.653 -10.560 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.059 -15.401 -13.372 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.553 -16.646 -12.247 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.314 -15.406 -12.479 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -4.853 -17.044 -12.901 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -6.916 -16.106 -11.022 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.503 -16.804 -9.453 1.00 0.00 H new ATOM 1180 N LYS A 75 -0.400 -15.063 -11.570 1.00 0.00 N ATOM 1181 CA LYS A 75 0.945 -15.387 -11.109 1.00 0.00 C ATOM 1182 C LYS A 75 1.369 -14.461 -9.974 1.00 0.00 C ATOM 1183 O LYS A 75 2.049 -14.881 -9.038 1.00 0.00 O ATOM 1184 CB LYS A 75 1.942 -15.284 -12.266 1.00 0.00 C ATOM 1185 CG LYS A 75 1.960 -13.920 -12.933 1.00 0.00 C ATOM 1186 CD LYS A 75 2.993 -13.858 -14.046 1.00 0.00 C ATOM 1187 CE LYS A 75 3.634 -12.481 -14.134 1.00 0.00 C ATOM 1188 NZ LYS A 75 4.726 -12.313 -13.135 1.00 0.00 N ATOM 0 H LYS A 75 -0.463 -14.843 -12.564 1.00 0.00 H new ATOM 0 HA LYS A 75 0.937 -16.411 -10.735 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.941 -15.511 -11.895 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.700 -16.041 -13.012 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.973 -13.699 -13.339 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.178 -13.153 -12.190 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.764 -14.609 -13.871 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.520 -14.102 -14.997 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.033 -12.329 -15.137 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.874 -11.716 -13.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.137 -11.362 -13.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.341 -12.432 -12.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.463 -13.027 -13.303 1.00 0.00 H new ATOM 1202 N TYR A 76 0.963 -13.199 -10.064 1.00 0.00 N ATOM 1203 CA TYR A 76 1.302 -12.213 -9.045 1.00 0.00 C ATOM 1204 C TYR A 76 0.417 -12.376 -7.813 1.00 0.00 C ATOM 1205 O TYR A 76 0.814 -12.034 -6.699 1.00 0.00 O ATOM 1206 CB TYR A 76 1.156 -10.798 -9.607 1.00 0.00 C ATOM 1207 CG TYR A 76 0.362 -9.870 -8.714 1.00 0.00 C ATOM 1208 CD1 TYR A 76 0.987 -9.131 -7.717 1.00 0.00 C ATOM 1209 CD2 TYR A 76 -1.012 -9.735 -8.867 1.00 0.00 C ATOM 1210 CE1 TYR A 76 0.265 -8.283 -6.899 1.00 0.00 C ATOM 1211 CE2 TYR A 76 -1.741 -8.888 -8.055 1.00 0.00 C ATOM 1212 CZ TYR A 76 -1.098 -8.165 -7.072 1.00 0.00 C ATOM 1213 OH TYR A 76 -1.821 -7.321 -6.260 1.00 0.00 O ATOM 0 H TYR A 76 0.399 -12.835 -10.832 1.00 0.00 H new ATOM 0 HA TYR A 76 2.339 -12.375 -8.749 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.148 -10.375 -9.766 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.673 -10.852 -10.582 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.054 -9.221 -7.579 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.519 -10.302 -9.634 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.766 -7.716 -6.128 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.808 -8.792 -8.189 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.767 -7.353 -6.514 1.00 0.00 H new ATOM 1223 N SER A 77 -0.786 -12.903 -8.021 1.00 0.00 N ATOM 1224 CA SER A 77 -1.730 -13.110 -6.930 1.00 0.00 C ATOM 1225 C SER A 77 -1.156 -14.067 -5.889 1.00 0.00 C ATOM 1226 O SER A 77 -1.523 -14.018 -4.716 1.00 0.00 O ATOM 1227 CB SER A 77 -3.053 -13.658 -7.468 1.00 0.00 C ATOM 1228 OG SER A 77 -4.084 -12.692 -7.366 1.00 0.00 O ATOM 0 H SER A 77 -1.129 -13.194 -8.936 1.00 0.00 H new ATOM 0 HA SER A 77 -1.912 -12.147 -6.453 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.930 -13.955 -8.510 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.333 -14.553 -6.912 1.00 0.00 H new ATOM 0 HG SER A 77 -4.919 -13.066 -7.718 1.00 0.00 H new