USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 637 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 GLN : amide:sc= -1.45 X(o=-4.1,f=-3.8) USER MOD Set 1.2: A 90 LYS NZ :NH3+ 137:sc= -0.923 (180deg=0.832) USER MOD Set 1.3: A 91 ASN : amide:sc= -1.7! C(o=-4.1!,f=-2!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.065 X(o=-0.065,f=-0.15) USER MOD Single : A 10 GLN : amide:sc= -0.152 K(o=-0.15,f=-1.3!) USER MOD Single : A 11 GLN : amide:sc= -0.585 K(o=-0.59,f=-1.4!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -6.82! C(o=-6.8!,f=-5.5!) USER MOD Single : A 19 GLN : amide:sc= -2.18 K(o=-2.2,f=-5.6!) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 24 GLN : amide:sc= -1.11! C(o=-1.1!,f=-2.5!) USER MOD Single : A 43 SER OG : rot 13:sc= 0.516 USER MOD Single : A 47 GLN : amide:sc= -0.0456 X(o=-0.046,f=0) USER MOD Single : A 50 ASN : amide:sc= -0.213 X(o=-0.21,f=-0.06) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 1.04 K(o=1,f=-1.7!) USER MOD Single : A 57 GLN : amide:sc= -9.82! C(o=-9.8!,f=-11!) USER MOD Single : A 63 THR OG1 : rot -106:sc= -3.65! USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.481 X(o=-0.48,f=-0.43) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -2.66 K(o=-2.7,f=-3.9!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.836 X(o=-0.84,f=-1.3) USER MOD Single : A 97 ASN : amide:sc= -0.989 K(o=-0.99,f=-0.25) USER MOD Single : A 98 MET CE :methyl 152:sc= -0.952 (180deg=-2.2) USER MOD Single : A 99 LYS NZ :NH3+ -125:sc= -0.234 (180deg=-1.14) USER MOD Single : A 100 GLN : amide:sc= -0.913 K(o=-0.91,f=-4.7!) USER MOD Single : A 103 THR OG1 : rot -128:sc= 0.184 USER MOD ----------------------------------------------------------------- ATOM 51 N LYS A 4 -3.861 -17.340 6.962 1.00 0.00 N ATOM 52 CA LYS A 4 -3.059 -17.691 8.115 1.00 0.00 C ATOM 53 C LYS A 4 -1.867 -16.752 8.301 1.00 0.00 C ATOM 54 O LYS A 4 -1.173 -16.834 9.281 1.00 0.00 O ATOM 55 CB LYS A 4 -2.662 -19.165 8.020 1.00 0.00 C ATOM 56 CG LYS A 4 -3.035 -19.894 9.322 1.00 0.00 C ATOM 57 CD LYS A 4 -1.822 -19.999 10.256 1.00 0.00 C ATOM 58 CE LYS A 4 -1.430 -21.464 10.468 1.00 0.00 C ATOM 59 NZ LYS A 4 0.018 -21.576 10.739 1.00 0.00 N ATOM 0 HA LYS A 4 -3.654 -17.560 9.019 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -3.166 -19.632 7.174 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.591 -19.251 7.839 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -3.841 -19.360 9.825 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.409 -20.891 9.091 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.981 -19.450 9.832 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.054 -19.536 11.215 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.996 -21.881 11.301 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.687 -22.047 9.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.268 -22.575 10.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.553 -21.196 9.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.254 -21.035 11.596 1.00 0.00 H new ATOM 73 N CYS A 5 -1.618 -15.885 7.338 1.00 0.00 N ATOM 74 CA CYS A 5 -0.574 -14.907 7.320 1.00 0.00 C ATOM 75 C CYS A 5 -1.192 -13.550 7.556 1.00 0.00 C ATOM 76 O CYS A 5 -0.515 -12.645 7.999 1.00 0.00 O ATOM 77 CB CYS A 5 0.203 -14.925 6.006 1.00 0.00 C ATOM 78 SG CYS A 5 0.891 -13.318 5.480 1.00 0.00 S ATOM 0 H CYS A 5 -2.187 -15.853 6.492 1.00 0.00 H new ATOM 0 HA CYS A 5 0.143 -15.139 8.107 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.022 -15.639 6.098 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.455 -15.294 5.219 1.00 0.00 H new ATOM 83 N GLN A 6 -2.485 -13.376 7.295 1.00 0.00 N ATOM 84 CA GLN A 6 -3.167 -12.123 7.514 1.00 0.00 C ATOM 85 C GLN A 6 -2.941 -11.631 8.936 1.00 0.00 C ATOM 86 O GLN A 6 -2.670 -10.449 9.155 1.00 0.00 O ATOM 87 CB GLN A 6 -4.662 -12.262 7.234 1.00 0.00 C ATOM 88 CG GLN A 6 -4.979 -11.950 5.774 1.00 0.00 C ATOM 89 CD GLN A 6 -6.375 -11.387 5.639 1.00 0.00 C ATOM 90 OE1 GLN A 6 -7.323 -12.061 5.312 1.00 0.00 O ATOM 91 NE2 GLN A 6 -6.524 -10.105 5.888 1.00 0.00 N ATOM 0 H GLN A 6 -3.085 -14.112 6.923 1.00 0.00 H new ATOM 0 HA GLN A 6 -2.754 -11.389 6.822 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -4.987 -13.275 7.471 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -5.221 -11.588 7.883 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -4.254 -11.236 5.384 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -4.887 -12.856 5.175 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -5.719 -9.542 6.164 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -7.444 -9.673 5.806 1.00 0.00 H new ATOM 100 N ARG A 7 -3.050 -12.559 9.899 1.00 0.00 N ATOM 101 CA ARG A 7 -2.807 -12.242 11.295 1.00 0.00 C ATOM 102 C ARG A 7 -1.325 -12.214 11.614 1.00 0.00 C ATOM 103 O ARG A 7 -0.969 -12.114 12.765 1.00 0.00 O ATOM 104 CB ARG A 7 -3.505 -13.257 12.199 1.00 0.00 C ATOM 105 CG ARG A 7 -5.022 -13.048 12.173 1.00 0.00 C ATOM 106 CD ARG A 7 -5.738 -14.204 12.882 1.00 0.00 C ATOM 107 NE ARG A 7 -6.625 -13.704 13.951 1.00 0.00 N ATOM 108 CZ ARG A 7 -7.292 -14.460 14.806 1.00 0.00 C ATOM 109 NH1 ARG A 7 -7.201 -15.770 14.743 1.00 0.00 N ATOM 110 NH2 ARG A 7 -8.051 -13.908 15.724 1.00 0.00 N ATOM 0 H ARG A 7 -3.305 -13.531 9.726 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.214 -11.247 11.478 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.266 -14.269 11.871 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.136 -13.157 13.220 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -5.273 -12.105 12.659 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -5.367 -12.977 11.142 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -6.321 -14.773 12.158 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.002 -14.887 13.306 1.00 0.00 H new ATOM 0 HE ARG A 7 -6.732 -12.693 14.037 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -6.614 -16.207 14.032 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -7.717 -16.350 15.405 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.128 -12.892 15.779 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.564 -14.495 16.382 1.00 0.00 H new ATOM 124 N GLU A 8 -0.488 -12.366 10.608 1.00 0.00 N ATOM 125 CA GLU A 8 0.950 -12.354 10.728 1.00 0.00 C ATOM 126 C GLU A 8 1.559 -11.122 10.066 1.00 0.00 C ATOM 127 O GLU A 8 2.613 -10.654 10.473 1.00 0.00 O ATOM 128 CB GLU A 8 1.556 -13.622 10.132 1.00 0.00 C ATOM 129 CG GLU A 8 2.205 -14.478 11.225 1.00 0.00 C ATOM 130 CD GLU A 8 3.551 -15.038 10.768 1.00 0.00 C ATOM 131 OE1 GLU A 8 4.395 -14.236 10.325 1.00 0.00 O ATOM 132 OE2 GLU A 8 3.701 -16.276 10.846 1.00 0.00 O ATOM 0 H GLU A 8 -0.806 -12.506 9.649 1.00 0.00 H new ATOM 0 HA GLU A 8 1.185 -12.317 11.792 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.782 -14.197 9.625 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.300 -13.357 9.381 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.345 -13.878 12.124 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.539 -15.299 11.490 1.00 0.00 H new ATOM 139 N PHE A 9 0.816 -10.522 9.136 1.00 0.00 N ATOM 140 CA PHE A 9 1.262 -9.356 8.419 1.00 0.00 C ATOM 141 C PHE A 9 1.017 -8.142 9.281 1.00 0.00 C ATOM 142 O PHE A 9 1.746 -7.169 9.221 1.00 0.00 O ATOM 143 CB PHE A 9 0.450 -9.269 7.125 1.00 0.00 C ATOM 144 CG PHE A 9 0.095 -7.848 6.700 1.00 0.00 C ATOM 145 CD1 PHE A 9 -0.875 -7.125 7.395 1.00 0.00 C ATOM 146 CD2 PHE A 9 0.750 -7.259 5.623 1.00 0.00 C ATOM 147 CE1 PHE A 9 -1.163 -5.797 7.047 1.00 0.00 C ATOM 148 CE2 PHE A 9 0.431 -5.936 5.254 1.00 0.00 C ATOM 149 CZ PHE A 9 -0.498 -5.203 5.987 1.00 0.00 C ATOM 0 H PHE A 9 -0.114 -10.842 8.867 1.00 0.00 H new ATOM 0 HA PHE A 9 2.325 -9.411 8.182 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.014 -9.745 6.323 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.471 -9.839 7.249 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.409 -7.592 8.209 1.00 0.00 H new ATOM 0 HD2 PHE A 9 1.498 -7.811 5.073 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.901 -5.239 7.604 1.00 0.00 H new ATOM 0 HE2 PHE A 9 0.911 -5.488 4.396 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.700 -4.174 5.730 1.00 0.00 H new ATOM 159 N GLN A 10 -0.078 -8.140 10.041 1.00 0.00 N ATOM 160 CA GLN A 10 -0.461 -7.018 10.869 1.00 0.00 C ATOM 161 C GLN A 10 -0.053 -7.301 12.305 1.00 0.00 C ATOM 162 O GLN A 10 -0.066 -6.395 13.128 1.00 0.00 O ATOM 163 CB GLN A 10 -1.961 -6.751 10.779 1.00 0.00 C ATOM 164 CG GLN A 10 -2.228 -5.271 10.481 1.00 0.00 C ATOM 165 CD GLN A 10 -3.259 -4.678 11.425 1.00 0.00 C ATOM 166 OE1 GLN A 10 -3.463 -5.104 12.546 1.00 0.00 O ATOM 167 NE2 GLN A 10 -3.930 -3.644 10.954 1.00 0.00 N ATOM 0 H GLN A 10 -0.723 -8.928 10.093 1.00 0.00 H new ATOM 0 HA GLN A 10 0.050 -6.123 10.513 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.400 -7.370 9.997 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.443 -7.032 11.716 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.297 -4.711 10.563 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.574 -5.165 9.453 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.744 -3.302 10.011 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.635 -3.187 11.533 1.00 0.00 H new ATOM 176 N GLN A 11 0.324 -8.543 12.594 1.00 0.00 N ATOM 177 CA GLN A 11 0.743 -8.934 13.918 1.00 0.00 C ATOM 178 C GLN A 11 1.805 -7.986 14.445 1.00 0.00 C ATOM 179 O GLN A 11 1.615 -7.327 15.461 1.00 0.00 O ATOM 180 CB GLN A 11 1.271 -10.363 13.913 1.00 0.00 C ATOM 181 CG GLN A 11 0.816 -11.108 15.170 1.00 0.00 C ATOM 182 CD GLN A 11 2.008 -11.539 16.003 1.00 0.00 C ATOM 183 OE1 GLN A 11 2.356 -10.921 16.988 1.00 0.00 O ATOM 184 NE2 GLN A 11 2.593 -12.661 15.623 1.00 0.00 N ATOM 0 H GLN A 11 0.344 -9.300 11.911 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.124 -8.885 14.576 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.915 -10.885 13.025 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.360 -10.354 13.863 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.166 -10.465 15.763 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.229 -11.982 14.888 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.268 -13.148 14.788 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.370 -13.040 16.165 1.00 0.00 H new ATOM 193 N GLU A 12 2.865 -7.809 13.654 1.00 0.00 N ATOM 194 CA GLU A 12 3.987 -6.972 14.056 1.00 0.00 C ATOM 195 C GLU A 12 5.016 -6.903 12.926 1.00 0.00 C ATOM 196 O GLU A 12 6.215 -6.755 13.143 1.00 0.00 O ATOM 197 CB GLU A 12 4.638 -7.443 15.365 1.00 0.00 C ATOM 198 CG GLU A 12 4.512 -8.956 15.548 1.00 0.00 C ATOM 199 CD GLU A 12 5.747 -9.544 16.203 1.00 0.00 C ATOM 200 OE1 GLU A 12 6.686 -9.873 15.445 1.00 0.00 O ATOM 201 OE2 GLU A 12 5.758 -9.634 17.449 1.00 0.00 O ATOM 0 H GLU A 12 2.966 -8.235 12.733 1.00 0.00 H new ATOM 0 HA GLU A 12 3.597 -5.973 14.250 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.691 -7.163 15.369 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.170 -6.934 16.208 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.636 -9.178 16.157 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.354 -9.428 14.579 1.00 0.00 H new ATOM 208 N GLN A 13 4.531 -6.975 11.688 1.00 0.00 N ATOM 209 CA GLN A 13 5.391 -6.925 10.527 1.00 0.00 C ATOM 210 C GLN A 13 4.627 -6.408 9.320 1.00 0.00 C ATOM 211 O GLN A 13 4.622 -6.990 8.247 1.00 0.00 O ATOM 212 CB GLN A 13 6.007 -8.296 10.247 1.00 0.00 C ATOM 213 CG GLN A 13 7.485 -8.148 9.879 1.00 0.00 C ATOM 214 CD GLN A 13 7.941 -9.337 9.049 1.00 0.00 C ATOM 215 OE1 GLN A 13 8.324 -9.213 7.899 1.00 0.00 O ATOM 216 NE2 GLN A 13 7.967 -10.498 9.681 1.00 0.00 N ATOM 0 H GLN A 13 3.539 -7.069 11.472 1.00 0.00 H new ATOM 0 HA GLN A 13 6.207 -6.231 10.732 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.906 -8.934 11.125 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.470 -8.785 9.434 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.637 -7.225 9.320 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.087 -8.075 10.785 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.638 -10.562 10.644 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.317 -11.330 9.205 1.00 0.00 H new ATOM 225 N HIS A 14 3.955 -5.272 9.495 1.00 0.00 N ATOM 226 CA HIS A 14 3.137 -4.678 8.453 1.00 0.00 C ATOM 227 C HIS A 14 4.071 -4.113 7.393 1.00 0.00 C ATOM 228 O HIS A 14 5.200 -4.555 7.201 1.00 0.00 O ATOM 229 CB HIS A 14 2.171 -3.640 9.032 1.00 0.00 C ATOM 230 CG HIS A 14 1.861 -3.786 10.491 1.00 0.00 C ATOM 231 ND1 HIS A 14 1.520 -2.736 11.312 1.00 0.00 N ATOM 232 CD2 HIS A 14 1.889 -4.905 11.266 1.00 0.00 C ATOM 233 CE1 HIS A 14 1.328 -3.205 12.547 1.00 0.00 C ATOM 234 NE2 HIS A 14 1.585 -4.528 12.542 1.00 0.00 N ATOM 0 H HIS A 14 3.966 -4.741 10.366 1.00 0.00 H new ATOM 0 HA HIS A 14 2.497 -5.427 7.986 1.00 0.00 H new ATOM 0 HB2 HIS A 14 2.590 -2.648 8.866 1.00 0.00 H new ATOM 0 HB3 HIS A 14 1.236 -3.689 8.474 1.00 0.00 H new ATOM 0 HD2 HIS A 14 2.111 -5.908 10.932 1.00 0.00 H new ATOM 0 HE1 HIS A 14 1.020 -2.624 13.403 1.00 0.00 H new ATOM 0 HE2 HIS A 14 1.557 -5.144 13.355 1.00 0.00 H new ATOM 243 N LEU A 15 3.615 -3.065 6.717 1.00 0.00 N ATOM 244 CA LEU A 15 4.393 -2.409 5.692 1.00 0.00 C ATOM 245 C LEU A 15 4.477 -0.926 5.998 1.00 0.00 C ATOM 246 O LEU A 15 3.800 -0.416 6.886 1.00 0.00 O ATOM 247 CB LEU A 15 3.800 -2.708 4.310 1.00 0.00 C ATOM 248 CG LEU A 15 3.259 -4.135 4.122 1.00 0.00 C ATOM 249 CD1 LEU A 15 2.790 -4.339 2.686 1.00 0.00 C ATOM 250 CD2 LEU A 15 4.285 -5.183 4.527 1.00 0.00 C ATOM 0 H LEU A 15 2.695 -2.652 6.870 1.00 0.00 H new ATOM 0 HA LEU A 15 5.413 -2.794 5.680 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.991 -2.002 4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.566 -2.525 3.557 1.00 0.00 H new ATOM 0 HG LEU A 15 2.401 -4.261 4.783 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.410 -5.354 2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.998 -3.626 2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.626 -4.184 2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.866 -6.178 4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.180 -5.072 3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.545 -5.050 5.577 1.00 0.00 H new ATOM 262 N ARG A 16 5.329 -0.238 5.253 1.00 0.00 N ATOM 263 CA ARG A 16 5.573 1.175 5.441 1.00 0.00 C ATOM 264 C ARG A 16 5.791 1.796 4.106 1.00 0.00 C ATOM 265 O ARG A 16 4.858 2.378 3.617 1.00 0.00 O ATOM 266 CB ARG A 16 6.788 1.452 6.321 1.00 0.00 C ATOM 267 CG ARG A 16 7.802 0.305 6.248 1.00 0.00 C ATOM 268 CD ARG A 16 7.611 -0.665 7.418 1.00 0.00 C ATOM 269 NE ARG A 16 8.800 -1.526 7.567 1.00 0.00 N ATOM 270 CZ ARG A 16 9.087 -2.562 6.797 1.00 0.00 C ATOM 271 NH1 ARG A 16 8.285 -2.912 5.819 1.00 0.00 N ATOM 272 NH2 ARG A 16 10.186 -3.250 7.011 1.00 0.00 N ATOM 0 H ARG A 16 5.873 -0.653 4.496 1.00 0.00 H new ATOM 0 HA ARG A 16 4.705 1.599 5.946 1.00 0.00 H new ATOM 0 HB2 ARG A 16 7.263 2.381 6.006 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.468 1.592 7.353 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.687 -0.229 5.305 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.815 0.707 6.265 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.440 -0.107 8.338 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.727 -1.280 7.249 1.00 0.00 H new ATOM 0 HE ARG A 16 9.450 -1.305 8.321 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.430 -2.383 5.646 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.517 -3.713 5.231 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.815 -2.984 7.769 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.410 -4.050 6.419 1.00 0.00 H new ATOM 286 N ALA A 17 6.965 1.716 3.516 1.00 0.00 N ATOM 287 CA ALA A 17 7.270 2.257 2.224 1.00 0.00 C ATOM 288 C ALA A 17 6.091 2.124 1.293 1.00 0.00 C ATOM 289 O ALA A 17 5.611 3.125 0.815 1.00 0.00 O ATOM 290 CB ALA A 17 8.498 1.564 1.651 1.00 0.00 C ATOM 0 H ALA A 17 7.762 1.250 3.949 1.00 0.00 H new ATOM 0 HA ALA A 17 7.487 3.320 2.331 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.725 1.979 0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.347 1.720 2.316 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.302 0.496 1.557 1.00 0.00 H new ATOM 296 N CYS A 18 5.560 0.934 1.094 1.00 0.00 N ATOM 297 CA CYS A 18 4.396 0.684 0.291 1.00 0.00 C ATOM 298 C CYS A 18 3.270 1.586 0.733 1.00 0.00 C ATOM 299 O CYS A 18 2.772 2.387 -0.035 1.00 0.00 O ATOM 300 CB CYS A 18 3.996 -0.778 0.332 1.00 0.00 C ATOM 301 SG CYS A 18 3.976 -1.673 -1.232 1.00 0.00 S ATOM 0 H CYS A 18 5.949 0.086 1.507 1.00 0.00 H new ATOM 0 HA CYS A 18 4.632 0.911 -0.749 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.677 -1.295 1.008 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.000 -0.843 0.771 1.00 0.00 H new ATOM 306 N GLN A 19 2.882 1.479 1.991 1.00 0.00 N ATOM 307 CA GLN A 19 1.863 2.320 2.570 1.00 0.00 C ATOM 308 C GLN A 19 2.425 3.648 3.087 1.00 0.00 C ATOM 309 O GLN A 19 1.968 4.193 4.082 1.00 0.00 O ATOM 310 CB GLN A 19 1.127 1.556 3.661 1.00 0.00 C ATOM 311 CG GLN A 19 2.021 1.214 4.842 1.00 0.00 C ATOM 312 CD GLN A 19 1.825 2.196 5.990 1.00 0.00 C ATOM 313 OE1 GLN A 19 2.742 2.825 6.486 1.00 0.00 O ATOM 314 NE2 GLN A 19 0.586 2.308 6.434 1.00 0.00 N ATOM 0 H GLN A 19 3.272 0.797 2.642 1.00 0.00 H new ATOM 0 HA GLN A 19 1.154 2.582 1.785 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.283 2.151 4.010 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.717 0.637 3.242 1.00 0.00 H new ATOM 0 HG2 GLN A 19 1.802 0.203 5.185 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.064 1.225 4.526 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.162 1.769 5.999 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.378 2.934 7.212 1.00 0.00 H new ATOM 323 N GLN A 20 3.419 4.189 2.394 1.00 0.00 N ATOM 324 CA GLN A 20 4.104 5.383 2.831 1.00 0.00 C ATOM 325 C GLN A 20 4.418 6.226 1.627 1.00 0.00 C ATOM 326 O GLN A 20 4.193 7.419 1.616 1.00 0.00 O ATOM 327 CB GLN A 20 5.388 5.108 3.615 1.00 0.00 C ATOM 328 CG GLN A 20 5.076 4.679 5.051 1.00 0.00 C ATOM 329 CD GLN A 20 5.153 5.825 6.022 1.00 0.00 C ATOM 330 OE1 GLN A 20 4.615 6.894 5.800 1.00 0.00 O ATOM 331 NE2 GLN A 20 5.897 5.604 7.094 1.00 0.00 N ATOM 0 H GLN A 20 3.767 3.807 1.515 1.00 0.00 H new ATOM 0 HA GLN A 20 3.436 5.902 3.519 1.00 0.00 H new ATOM 0 HB2 GLN A 20 5.962 4.328 3.116 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.009 6.003 3.627 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.078 4.242 5.088 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.776 3.901 5.355 1.00 0.00 H new ATOM 0 HE21 GLN A 20 6.328 4.690 7.236 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.040 6.347 7.778 1.00 0.00 H new ATOM 340 N TRP A 21 4.936 5.632 0.565 1.00 0.00 N ATOM 341 CA TRP A 21 5.253 6.304 -0.669 1.00 0.00 C ATOM 342 C TRP A 21 3.979 6.958 -1.167 1.00 0.00 C ATOM 343 O TRP A 21 4.033 7.977 -1.834 1.00 0.00 O ATOM 344 CB TRP A 21 5.836 5.331 -1.692 1.00 0.00 C ATOM 345 CG TRP A 21 4.921 4.258 -2.181 1.00 0.00 C ATOM 346 CD1 TRP A 21 4.931 2.940 -1.915 1.00 0.00 C ATOM 347 CD2 TRP A 21 3.805 4.426 -3.076 1.00 0.00 C ATOM 348 NE1 TRP A 21 3.904 2.264 -2.549 1.00 0.00 N ATOM 349 CE2 TRP A 21 3.175 3.161 -3.275 1.00 0.00 C ATOM 350 CE3 TRP A 21 3.281 5.565 -3.729 1.00 0.00 C ATOM 351 CZ2 TRP A 21 2.051 3.016 -4.087 1.00 0.00 C ATOM 352 CZ3 TRP A 21 2.149 5.404 -4.536 1.00 0.00 C ATOM 353 CH2 TRP A 21 1.547 4.157 -4.720 1.00 0.00 C ATOM 0 H TRP A 21 5.152 4.635 0.545 1.00 0.00 H new ATOM 0 HA TRP A 21 6.019 7.063 -0.509 1.00 0.00 H new ATOM 0 HB2 TRP A 21 6.181 5.905 -2.552 1.00 0.00 H new ATOM 0 HB3 TRP A 21 6.714 4.858 -1.252 1.00 0.00 H new ATOM 0 HD1 TRP A 21 5.660 2.462 -1.277 1.00 0.00 H new ATOM 0 HE1 TRP A 21 3.722 1.262 -2.485 1.00 0.00 H new ATOM 0 HE3 TRP A 21 3.742 6.534 -3.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 1.584 2.052 -4.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 1.729 6.268 -5.030 1.00 0.00 H new ATOM 0 HH2 TRP A 21 0.681 4.073 -5.360 1.00 0.00 H new ATOM 364 N ILE A 22 2.821 6.402 -0.814 1.00 0.00 N ATOM 365 CA ILE A 22 1.539 6.935 -1.220 1.00 0.00 C ATOM 366 C ILE A 22 1.313 8.270 -0.537 1.00 0.00 C ATOM 367 O ILE A 22 0.634 9.145 -1.060 1.00 0.00 O ATOM 368 CB ILE A 22 0.425 5.933 -0.902 1.00 0.00 C ATOM 369 CG1 ILE A 22 0.901 4.489 -1.111 1.00 0.00 C ATOM 370 CG2 ILE A 22 -0.808 6.249 -1.750 1.00 0.00 C ATOM 371 CD1 ILE A 22 -0.245 3.524 -1.373 1.00 0.00 C ATOM 0 H ILE A 22 2.755 5.565 -0.235 1.00 0.00 H new ATOM 0 HA ILE A 22 1.528 7.098 -2.298 1.00 0.00 H new ATOM 0 HB ILE A 22 0.154 6.027 0.150 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.596 4.458 -1.950 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.452 4.161 -0.229 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.599 5.535 -1.522 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.154 7.258 -1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.550 6.180 -2.807 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.151 2.518 -1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.927 3.530 -0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.781 3.831 -2.271 1.00 0.00 H new ATOM 383 N ARG A 23 1.911 8.457 0.642 1.00 0.00 N ATOM 384 CA ARG A 23 1.838 9.702 1.380 1.00 0.00 C ATOM 385 C ARG A 23 2.504 10.829 0.612 1.00 0.00 C ATOM 386 O ARG A 23 2.227 11.992 0.875 1.00 0.00 O ATOM 387 CB ARG A 23 2.517 9.573 2.747 1.00 0.00 C ATOM 388 CG ARG A 23 2.004 8.351 3.517 1.00 0.00 C ATOM 389 CD ARG A 23 0.489 8.413 3.695 1.00 0.00 C ATOM 390 NE ARG A 23 0.148 8.297 5.117 1.00 0.00 N ATOM 391 CZ ARG A 23 0.157 9.260 6.015 1.00 0.00 C ATOM 392 NH1 ARG A 23 0.432 10.483 5.638 1.00 0.00 N ATOM 393 NH2 ARG A 23 -0.203 9.021 7.256 1.00 0.00 N ATOM 0 H ARG A 23 2.462 7.737 1.108 1.00 0.00 H new ATOM 0 HA ARG A 23 0.781 9.930 1.519 1.00 0.00 H new ATOM 0 HB2 ARG A 23 3.596 9.493 2.612 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.335 10.475 3.331 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.274 7.440 2.982 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.487 8.303 4.493 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.105 9.352 3.296 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.015 7.609 3.132 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.125 7.371 5.445 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.636 10.681 4.658 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.442 11.238 6.324 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.493 8.083 7.531 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.193 9.774 7.944 1.00 0.00 H new ATOM 407 N GLN A 24 3.357 10.480 -0.347 1.00 0.00 N ATOM 408 CA GLN A 24 4.002 11.457 -1.188 1.00 0.00 C ATOM 409 C GLN A 24 3.013 12.130 -2.127 1.00 0.00 C ATOM 410 O GLN A 24 3.356 13.092 -2.805 1.00 0.00 O ATOM 411 CB GLN A 24 5.148 10.814 -1.970 1.00 0.00 C ATOM 412 CG GLN A 24 6.279 10.381 -1.037 1.00 0.00 C ATOM 413 CD GLN A 24 6.664 11.503 -0.096 1.00 0.00 C ATOM 414 OE1 GLN A 24 6.523 12.672 -0.418 1.00 0.00 O ATOM 415 NE2 GLN A 24 7.112 11.106 1.087 1.00 0.00 N ATOM 0 H GLN A 24 3.613 9.515 -0.554 1.00 0.00 H new ATOM 0 HA GLN A 24 4.414 12.233 -0.543 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.776 9.950 -2.521 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.531 11.521 -2.706 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.967 9.509 -0.461 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.146 10.081 -1.625 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.205 10.111 1.289 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.363 11.796 1.795 1.00 0.00 H new ATOM 679 N SER A 43 13.748 5.817 -3.709 1.00 0.00 N ATOM 680 CA SER A 43 13.877 4.414 -3.410 1.00 0.00 C ATOM 681 C SER A 43 12.721 3.991 -2.512 1.00 0.00 C ATOM 682 O SER A 43 12.891 3.708 -1.331 1.00 0.00 O ATOM 683 CB SER A 43 15.226 4.102 -2.747 1.00 0.00 C ATOM 684 OG SER A 43 16.222 5.053 -3.091 1.00 0.00 O ATOM 0 HA SER A 43 13.842 3.849 -4.342 1.00 0.00 H new ATOM 0 HB2 SER A 43 15.102 4.083 -1.664 1.00 0.00 H new ATOM 0 HB3 SER A 43 15.556 3.107 -3.047 1.00 0.00 H new ATOM 0 HG SER A 43 15.801 5.827 -3.519 1.00 0.00 H new ATOM 690 N LEU A 44 11.512 3.958 -3.072 1.00 0.00 N ATOM 691 CA LEU A 44 10.334 3.568 -2.326 1.00 0.00 C ATOM 692 C LEU A 44 9.544 2.591 -3.158 1.00 0.00 C ATOM 693 O LEU A 44 9.083 1.603 -2.624 1.00 0.00 O ATOM 694 CB LEU A 44 9.518 4.812 -1.961 1.00 0.00 C ATOM 695 CG LEU A 44 9.536 5.156 -0.463 1.00 0.00 C ATOM 696 CD1 LEU A 44 9.311 6.653 -0.248 1.00 0.00 C ATOM 697 CD2 LEU A 44 8.491 4.349 0.288 1.00 0.00 C ATOM 0 H LEU A 44 11.331 4.200 -4.046 1.00 0.00 H new ATOM 0 HA LEU A 44 10.608 3.080 -1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.902 5.663 -2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.485 4.662 -2.276 1.00 0.00 H new ATOM 0 HG LEU A 44 10.519 4.896 -0.069 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.328 6.874 0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.100 7.215 -0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.344 6.939 -0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.522 4.609 1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.502 4.573 -0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.698 3.285 0.169 1.00 0.00 H new ATOM 709 N ARG A 45 9.402 2.842 -4.456 1.00 0.00 N ATOM 710 CA ARG A 45 8.689 1.946 -5.349 1.00 0.00 C ATOM 711 C ARG A 45 9.385 0.608 -5.446 1.00 0.00 C ATOM 712 O ARG A 45 8.722 -0.415 -5.445 1.00 0.00 O ATOM 713 CB ARG A 45 8.581 2.563 -6.747 1.00 0.00 C ATOM 714 CG ARG A 45 7.113 2.707 -7.172 1.00 0.00 C ATOM 715 CD ARG A 45 6.276 3.383 -6.071 1.00 0.00 C ATOM 716 NE ARG A 45 5.578 4.568 -6.592 1.00 0.00 N ATOM 717 CZ ARG A 45 6.150 5.734 -6.829 1.00 0.00 C ATOM 718 NH1 ARG A 45 7.428 5.919 -6.583 1.00 0.00 N ATOM 719 NH2 ARG A 45 5.441 6.726 -7.315 1.00 0.00 N ATOM 0 H ARG A 45 9.779 3.672 -4.914 1.00 0.00 H new ATOM 0 HA ARG A 45 7.691 1.794 -4.939 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.063 3.540 -6.755 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.112 1.939 -7.466 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.053 3.293 -8.089 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.699 1.724 -7.395 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.549 2.674 -5.674 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.923 3.673 -5.243 1.00 0.00 H new ATOM 0 HE ARG A 45 4.580 4.483 -6.784 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.990 5.157 -6.204 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.858 6.825 -6.771 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.448 6.596 -7.509 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.883 7.627 -7.498 1.00 0.00 H new ATOM 733 N GLU A 46 10.709 0.639 -5.488 1.00 0.00 N ATOM 734 CA GLU A 46 11.499 -0.574 -5.579 1.00 0.00 C ATOM 735 C GLU A 46 11.561 -1.266 -4.220 1.00 0.00 C ATOM 736 O GLU A 46 11.588 -2.490 -4.137 1.00 0.00 O ATOM 737 CB GLU A 46 12.916 -0.258 -6.074 1.00 0.00 C ATOM 738 CG GLU A 46 13.102 -0.764 -7.510 1.00 0.00 C ATOM 739 CD GLU A 46 14.496 -0.422 -8.033 1.00 0.00 C ATOM 740 OE1 GLU A 46 15.430 -1.181 -7.699 1.00 0.00 O ATOM 741 OE2 GLU A 46 14.599 0.606 -8.738 1.00 0.00 O ATOM 0 H GLU A 46 11.259 1.498 -5.460 1.00 0.00 H new ATOM 0 HA GLU A 46 11.022 -1.243 -6.295 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.091 0.817 -6.034 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.651 -0.725 -5.418 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.952 -1.843 -7.542 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.347 -0.318 -8.157 1.00 0.00 H new ATOM 748 N GLN A 47 11.530 -0.467 -3.147 1.00 0.00 N ATOM 749 CA GLN A 47 11.568 -0.995 -1.807 1.00 0.00 C ATOM 750 C GLN A 47 10.211 -1.520 -1.448 1.00 0.00 C ATOM 751 O GLN A 47 10.146 -2.500 -0.749 1.00 0.00 O ATOM 752 CB GLN A 47 11.995 0.086 -0.813 1.00 0.00 C ATOM 753 CG GLN A 47 13.304 -0.318 -0.122 1.00 0.00 C ATOM 754 CD GLN A 47 13.541 0.521 1.123 1.00 0.00 C ATOM 755 OE1 GLN A 47 14.444 1.332 1.206 1.00 0.00 O ATOM 756 NE2 GLN A 47 12.682 0.327 2.114 1.00 0.00 N ATOM 0 H GLN A 47 11.478 0.550 -3.197 1.00 0.00 H new ATOM 0 HA GLN A 47 12.298 -1.803 -1.762 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.127 1.036 -1.332 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.213 0.235 -0.068 1.00 0.00 H new ATOM 0 HG2 GLN A 47 13.267 -1.374 0.147 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.138 -0.194 -0.813 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.935 -0.360 2.014 1.00 0.00 H new ATOM 0 HE22 GLN A 47 12.768 0.865 2.976 1.00 0.00 H new ATOM 765 N CYS A 48 9.127 -0.910 -1.888 1.00 0.00 N ATOM 766 CA CYS A 48 7.778 -1.346 -1.615 1.00 0.00 C ATOM 767 C CYS A 48 7.519 -2.586 -2.428 1.00 0.00 C ATOM 768 O CYS A 48 6.801 -3.444 -1.969 1.00 0.00 O ATOM 769 CB CYS A 48 6.765 -0.264 -1.963 1.00 0.00 C ATOM 770 SG CYS A 48 5.173 -0.793 -2.642 1.00 0.00 S ATOM 0 H CYS A 48 9.167 -0.069 -2.464 1.00 0.00 H new ATOM 0 HA CYS A 48 7.670 -1.556 -0.551 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.569 0.316 -1.061 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.229 0.412 -2.682 1.00 0.00 H new ATOM 775 N CYS A 49 8.134 -2.718 -3.596 1.00 0.00 N ATOM 776 CA CYS A 49 8.002 -3.896 -4.422 1.00 0.00 C ATOM 777 C CYS A 49 8.809 -5.036 -3.805 1.00 0.00 C ATOM 778 O CYS A 49 8.858 -6.123 -4.361 1.00 0.00 O ATOM 779 CB CYS A 49 8.436 -3.610 -5.855 1.00 0.00 C ATOM 780 SG CYS A 49 7.166 -3.913 -7.118 1.00 0.00 S ATOM 0 H CYS A 49 8.741 -2.002 -3.994 1.00 0.00 H new ATOM 0 HA CYS A 49 6.954 -4.193 -4.463 1.00 0.00 H new ATOM 0 HB2 CYS A 49 8.752 -2.569 -5.922 1.00 0.00 H new ATOM 0 HB3 CYS A 49 9.308 -4.223 -6.084 1.00 0.00 H new ATOM 785 N ASN A 50 9.475 -4.774 -2.678 1.00 0.00 N ATOM 786 CA ASN A 50 10.254 -5.755 -1.971 1.00 0.00 C ATOM 787 C ASN A 50 9.724 -5.926 -0.563 1.00 0.00 C ATOM 788 O ASN A 50 9.641 -7.026 -0.051 1.00 0.00 O ATOM 789 CB ASN A 50 11.715 -5.310 -1.898 1.00 0.00 C ATOM 790 CG ASN A 50 12.636 -6.453 -2.284 1.00 0.00 C ATOM 791 OD1 ASN A 50 13.538 -6.837 -1.562 1.00 0.00 O ATOM 792 ND2 ASN A 50 12.397 -6.992 -3.467 1.00 0.00 N ATOM 0 H ASN A 50 9.479 -3.855 -2.236 1.00 0.00 H new ATOM 0 HA ASN A 50 10.184 -6.702 -2.506 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.877 -4.463 -2.564 1.00 0.00 H new ATOM 0 HB3 ASN A 50 11.949 -4.971 -0.889 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.979 -7.759 -3.805 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.631 -6.641 -4.042 1.00 0.00 H new ATOM 799 N GLU A 51 9.350 -4.825 0.073 1.00 0.00 N ATOM 800 CA GLU A 51 8.837 -4.815 1.418 1.00 0.00 C ATOM 801 C GLU A 51 7.424 -5.381 1.402 1.00 0.00 C ATOM 802 O GLU A 51 6.859 -5.699 2.436 1.00 0.00 O ATOM 803 CB GLU A 51 8.865 -3.402 2.013 1.00 0.00 C ATOM 804 CG GLU A 51 7.459 -2.821 2.164 1.00 0.00 C ATOM 805 CD GLU A 51 7.507 -1.455 2.764 1.00 0.00 C ATOM 806 OE1 GLU A 51 8.571 -1.013 3.237 1.00 0.00 O ATOM 807 OE2 GLU A 51 6.422 -0.853 2.834 1.00 0.00 O ATOM 0 H GLU A 51 9.399 -3.898 -0.349 1.00 0.00 H new ATOM 0 HA GLU A 51 9.469 -5.435 2.054 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.354 -3.427 2.987 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.461 -2.750 1.374 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.973 -2.777 1.189 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.856 -3.477 2.792 1.00 0.00 H new ATOM 814 N LEU A 52 6.793 -5.431 0.242 1.00 0.00 N ATOM 815 CA LEU A 52 5.460 -5.976 0.115 1.00 0.00 C ATOM 816 C LEU A 52 5.542 -7.369 -0.506 1.00 0.00 C ATOM 817 O LEU A 52 4.599 -8.141 -0.420 1.00 0.00 O ATOM 818 CB LEU A 52 4.582 -4.974 -0.644 1.00 0.00 C ATOM 819 CG LEU A 52 4.249 -5.327 -2.098 1.00 0.00 C ATOM 820 CD1 LEU A 52 5.451 -5.835 -2.875 1.00 0.00 C ATOM 821 CD2 LEU A 52 3.114 -6.324 -2.131 1.00 0.00 C ATOM 0 H LEU A 52 7.192 -5.095 -0.634 1.00 0.00 H new ATOM 0 HA LEU A 52 4.980 -6.117 1.084 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.646 -4.857 -0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.081 -4.005 -0.633 1.00 0.00 H new ATOM 0 HG LEU A 52 3.939 -4.409 -2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.152 -6.068 -3.897 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.225 -5.068 -2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.840 -6.734 -2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.879 -6.574 -3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.408 -7.228 -1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.235 -5.891 -1.654 1.00 0.00 H new ATOM 833 N TYR A 53 6.677 -7.678 -1.133 1.00 0.00 N ATOM 834 CA TYR A 53 6.866 -8.911 -1.858 1.00 0.00 C ATOM 835 C TYR A 53 7.741 -9.822 -1.023 1.00 0.00 C ATOM 836 O TYR A 53 8.367 -10.744 -1.534 1.00 0.00 O ATOM 837 CB TYR A 53 7.540 -8.599 -3.187 1.00 0.00 C ATOM 838 CG TYR A 53 6.999 -9.385 -4.368 1.00 0.00 C ATOM 839 CD1 TYR A 53 7.065 -10.780 -4.357 1.00 0.00 C ATOM 840 CD2 TYR A 53 6.459 -8.707 -5.466 1.00 0.00 C ATOM 841 CE1 TYR A 53 6.617 -11.514 -5.482 1.00 0.00 C ATOM 842 CE2 TYR A 53 5.974 -9.447 -6.570 1.00 0.00 C ATOM 843 CZ TYR A 53 6.025 -10.842 -6.556 1.00 0.00 C ATOM 844 OH TYR A 53 5.533 -11.558 -7.616 1.00 0.00 O ATOM 0 H TYR A 53 7.493 -7.066 -1.145 1.00 0.00 H new ATOM 0 HA TYR A 53 5.912 -9.402 -2.052 1.00 0.00 H new ATOM 0 HB2 TYR A 53 7.430 -7.535 -3.394 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.608 -8.797 -3.094 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.456 -11.297 -3.493 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.413 -7.628 -5.471 1.00 0.00 H new ATOM 0 HE1 TYR A 53 6.732 -12.587 -5.510 1.00 0.00 H new ATOM 0 HE2 TYR A 53 5.563 -8.931 -7.426 1.00 0.00 H new ATOM 0 HH TYR A 53 5.153 -10.943 -8.278 1.00 0.00 H new ATOM 854 N GLN A 54 7.840 -9.533 0.269 1.00 0.00 N ATOM 855 CA GLN A 54 8.650 -10.318 1.170 1.00 0.00 C ATOM 856 C GLN A 54 7.811 -11.401 1.832 1.00 0.00 C ATOM 857 O GLN A 54 8.296 -12.507 2.056 1.00 0.00 O ATOM 858 CB GLN A 54 9.292 -9.424 2.227 1.00 0.00 C ATOM 859 CG GLN A 54 8.295 -8.409 2.793 1.00 0.00 C ATOM 860 CD GLN A 54 8.786 -7.786 4.090 1.00 0.00 C ATOM 861 OE1 GLN A 54 9.703 -8.248 4.735 1.00 0.00 O ATOM 862 NE2 GLN A 54 8.221 -6.647 4.441 1.00 0.00 N ATOM 0 H GLN A 54 7.360 -8.750 0.713 1.00 0.00 H new ATOM 0 HA GLN A 54 9.442 -10.796 0.594 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.682 -10.041 3.037 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.140 -8.896 1.791 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.121 -7.624 2.057 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.338 -8.900 2.967 1.00 0.00 H new ATOM 0 HE21 GLN A 54 7.450 -6.269 3.890 1.00 0.00 H new ATOM 0 HE22 GLN A 54 8.555 -6.144 5.263 1.00 0.00 H new ATOM 871 N GLU A 55 6.545 -11.086 2.108 1.00 0.00 N ATOM 872 CA GLU A 55 5.637 -12.027 2.721 1.00 0.00 C ATOM 873 C GLU A 55 5.006 -12.912 1.658 1.00 0.00 C ATOM 874 O GLU A 55 4.015 -13.578 1.919 1.00 0.00 O ATOM 875 CB GLU A 55 4.593 -11.294 3.553 1.00 0.00 C ATOM 876 CG GLU A 55 5.230 -10.526 4.705 1.00 0.00 C ATOM 877 CD GLU A 55 4.327 -10.520 5.939 1.00 0.00 C ATOM 878 OE1 GLU A 55 3.749 -11.583 6.256 1.00 0.00 O ATOM 879 OE2 GLU A 55 4.175 -9.428 6.527 1.00 0.00 O ATOM 0 H GLU A 55 6.132 -10.174 1.910 1.00 0.00 H new ATOM 0 HA GLU A 55 6.192 -12.675 3.400 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.040 -10.603 2.917 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.873 -12.011 3.947 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.190 -10.976 4.957 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.430 -9.501 4.394 1.00 0.00 H new ATOM 886 N ASP A 56 5.574 -12.934 0.457 1.00 0.00 N ATOM 887 CA ASP A 56 5.071 -13.713 -0.652 1.00 0.00 C ATOM 888 C ASP A 56 3.900 -12.972 -1.280 1.00 0.00 C ATOM 889 O ASP A 56 3.607 -11.833 -0.948 1.00 0.00 O ATOM 890 CB ASP A 56 4.590 -15.087 -0.167 1.00 0.00 C ATOM 891 CG ASP A 56 4.659 -16.177 -1.209 1.00 0.00 C ATOM 892 OD1 ASP A 56 3.715 -16.263 -2.025 1.00 0.00 O ATOM 893 OD2 ASP A 56 5.626 -16.958 -1.166 1.00 0.00 O ATOM 0 H ASP A 56 6.412 -12.399 0.230 1.00 0.00 H new ATOM 0 HA ASP A 56 5.870 -13.855 -1.380 1.00 0.00 H new ATOM 0 HB2 ASP A 56 5.190 -15.385 0.693 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.560 -14.996 0.178 1.00 0.00 H new ATOM 898 N GLN A 57 3.168 -13.656 -2.154 1.00 0.00 N ATOM 899 CA GLN A 57 2.039 -13.090 -2.858 1.00 0.00 C ATOM 900 C GLN A 57 0.790 -13.327 -2.058 1.00 0.00 C ATOM 901 O GLN A 57 -0.182 -12.586 -2.138 1.00 0.00 O ATOM 902 CB GLN A 57 1.912 -13.698 -4.261 1.00 0.00 C ATOM 903 CG GLN A 57 2.688 -12.871 -5.289 1.00 0.00 C ATOM 904 CD GLN A 57 3.913 -12.226 -4.675 1.00 0.00 C ATOM 905 OE1 GLN A 57 4.047 -11.021 -4.605 1.00 0.00 O ATOM 906 NE2 GLN A 57 4.791 -13.080 -4.174 1.00 0.00 N ATOM 0 H GLN A 57 3.351 -14.631 -2.391 1.00 0.00 H new ATOM 0 HA GLN A 57 2.190 -12.017 -2.977 1.00 0.00 H new ATOM 0 HB2 GLN A 57 2.288 -14.721 -4.253 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.861 -13.747 -4.546 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.990 -13.511 -6.118 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.038 -12.099 -5.702 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.632 -14.084 -4.259 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.627 -12.734 -3.703 1.00 0.00 H new ATOM 915 N VAL A 58 0.795 -14.383 -1.253 1.00 0.00 N ATOM 916 CA VAL A 58 -0.337 -14.724 -0.412 1.00 0.00 C ATOM 917 C VAL A 58 -0.427 -13.730 0.742 1.00 0.00 C ATOM 918 O VAL A 58 -1.420 -13.707 1.463 1.00 0.00 O ATOM 919 CB VAL A 58 -0.210 -16.164 0.069 1.00 0.00 C ATOM 920 CG1 VAL A 58 -1.588 -16.789 0.248 1.00 0.00 C ATOM 921 CG2 VAL A 58 0.623 -17.020 -0.880 1.00 0.00 C ATOM 0 H VAL A 58 1.584 -15.023 -1.168 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.265 -14.656 -0.980 1.00 0.00 H new ATOM 0 HB VAL A 58 0.307 -16.133 1.028 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.479 -17.818 0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.154 -16.218 0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.118 -16.779 -0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.684 -18.037 -0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.155 -17.033 -1.864 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.626 -16.602 -0.961 1.00 0.00 H new ATOM 931 N CYS A 59 0.564 -12.847 0.843 1.00 0.00 N ATOM 932 CA CYS A 59 0.598 -11.820 1.847 1.00 0.00 C ATOM 933 C CYS A 59 0.653 -10.467 1.153 1.00 0.00 C ATOM 934 O CYS A 59 1.080 -9.462 1.724 1.00 0.00 O ATOM 935 CB CYS A 59 1.757 -12.016 2.779 1.00 0.00 C ATOM 936 SG CYS A 59 1.789 -13.603 3.700 1.00 0.00 S ATOM 0 H CYS A 59 1.369 -12.836 0.216 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.303 -11.870 2.459 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.679 -11.934 2.203 1.00 0.00 H new ATOM 0 HB3 CYS A 59 1.759 -11.200 3.501 1.00 0.00 H new ATOM 941 N VAL A 60 0.081 -10.398 -0.055 1.00 0.00 N ATOM 942 CA VAL A 60 -0.008 -9.165 -0.803 1.00 0.00 C ATOM 943 C VAL A 60 -1.433 -8.659 -0.787 1.00 0.00 C ATOM 944 O VAL A 60 -1.728 -7.565 -1.220 1.00 0.00 O ATOM 945 CB VAL A 60 0.513 -9.394 -2.216 1.00 0.00 C ATOM 946 CG1 VAL A 60 -0.110 -8.411 -3.200 1.00 0.00 C ATOM 947 CG2 VAL A 60 2.020 -9.306 -2.226 1.00 0.00 C ATOM 0 H VAL A 60 -0.329 -11.202 -0.530 1.00 0.00 H new ATOM 0 HA VAL A 60 0.612 -8.395 -0.344 1.00 0.00 H new ATOM 0 HB VAL A 60 0.223 -10.394 -2.539 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.281 -8.599 -4.200 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.193 -8.537 -3.204 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.135 -7.392 -2.901 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.387 -9.471 -3.239 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.329 -8.318 -1.884 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.433 -10.066 -1.562 1.00 0.00 H new ATOM 957 N CYS A 61 -2.382 -9.476 -0.361 1.00 0.00 N ATOM 958 CA CYS A 61 -3.760 -9.096 -0.204 1.00 0.00 C ATOM 959 C CYS A 61 -4.548 -10.291 0.339 1.00 0.00 C ATOM 960 O CYS A 61 -4.199 -11.425 0.098 1.00 0.00 O ATOM 961 CB CYS A 61 -4.307 -8.578 -1.519 1.00 0.00 C ATOM 962 SG CYS A 61 -5.317 -7.061 -1.430 1.00 0.00 S ATOM 0 H CYS A 61 -2.201 -10.448 -0.110 1.00 0.00 H new ATOM 0 HA CYS A 61 -3.856 -8.283 0.516 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.468 -8.392 -2.190 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.910 -9.365 -1.973 1.00 0.00 H new ATOM 967 N PRO A 62 -5.607 -10.025 1.109 1.00 0.00 N ATOM 968 CA PRO A 62 -5.938 -8.675 1.504 1.00 0.00 C ATOM 969 C PRO A 62 -4.970 -8.149 2.523 1.00 0.00 C ATOM 970 O PRO A 62 -5.185 -7.129 3.131 1.00 0.00 O ATOM 971 CB PRO A 62 -7.373 -8.686 1.987 1.00 0.00 C ATOM 972 CG PRO A 62 -7.632 -10.145 2.342 1.00 0.00 C ATOM 973 CD PRO A 62 -6.503 -10.982 1.722 1.00 0.00 C ATOM 0 HA PRO A 62 -5.852 -7.988 0.662 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.508 -8.035 2.851 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.057 -8.336 1.214 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.657 -10.277 3.424 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.601 -10.466 1.959 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.989 -11.571 2.481 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.893 -11.683 0.984 1.00 0.00 H new ATOM 981 N THR A 63 -3.899 -8.836 2.779 1.00 0.00 N ATOM 982 CA THR A 63 -2.846 -8.421 3.685 1.00 0.00 C ATOM 983 C THR A 63 -2.492 -6.967 3.481 1.00 0.00 C ATOM 984 O THR A 63 -2.369 -6.241 4.444 1.00 0.00 O ATOM 985 CB THR A 63 -1.625 -9.306 3.478 1.00 0.00 C ATOM 986 OG1 THR A 63 -1.630 -9.575 2.122 1.00 0.00 O ATOM 987 CG2 THR A 63 -1.790 -10.677 4.118 1.00 0.00 C ATOM 0 H THR A 63 -3.717 -9.743 2.348 1.00 0.00 H new ATOM 0 HA THR A 63 -3.201 -8.530 4.710 1.00 0.00 H new ATOM 0 HB THR A 63 -0.744 -8.811 3.887 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.917 -10.500 1.973 1.00 0.00 H new ATOM 0 HG21 THR A 63 -0.893 -11.271 3.943 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.945 -10.562 5.191 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.651 -11.182 3.680 1.00 0.00 H new ATOM 995 N LEU A 64 -2.476 -6.478 2.252 1.00 0.00 N ATOM 996 CA LEU A 64 -2.222 -5.085 1.974 1.00 0.00 C ATOM 997 C LEU A 64 -3.460 -4.267 2.219 1.00 0.00 C ATOM 998 O LEU A 64 -3.338 -3.112 2.541 1.00 0.00 O ATOM 999 CB LEU A 64 -1.747 -4.920 0.539 1.00 0.00 C ATOM 1000 CG LEU A 64 -0.255 -4.596 0.395 1.00 0.00 C ATOM 1001 CD1 LEU A 64 0.456 -5.644 -0.440 1.00 0.00 C ATOM 1002 CD2 LEU A 64 -0.066 -3.198 -0.198 1.00 0.00 C ATOM 0 H LEU A 64 -2.640 -7.044 1.419 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.440 -4.729 2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.961 -5.838 -0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.325 -4.125 0.068 1.00 0.00 H new ATOM 0 HG LEU A 64 0.193 -4.609 1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.512 -5.387 -0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.357 -6.619 0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.011 -5.680 -1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.999 -2.984 -0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.535 -3.153 -1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.527 -2.459 0.458 1.00 0.00 H new ATOM 1014 N LYS A 65 -4.657 -4.845 2.113 1.00 0.00 N ATOM 1015 CA LYS A 65 -5.920 -4.206 2.427 1.00 0.00 C ATOM 1016 C LYS A 65 -5.761 -3.332 3.634 1.00 0.00 C ATOM 1017 O LYS A 65 -6.260 -2.232 3.603 1.00 0.00 O ATOM 1018 CB LYS A 65 -7.041 -5.235 2.594 1.00 0.00 C ATOM 1019 CG LYS A 65 -8.409 -4.562 2.544 1.00 0.00 C ATOM 1020 CD LYS A 65 -9.487 -5.546 2.082 1.00 0.00 C ATOM 1021 CE LYS A 65 -10.285 -6.073 3.275 1.00 0.00 C ATOM 1022 NZ LYS A 65 -11.412 -6.908 2.808 1.00 0.00 N ATOM 0 H LYS A 65 -4.770 -5.807 1.794 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.213 -3.571 1.591 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.971 -5.986 1.807 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.922 -5.757 3.543 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.664 -4.174 3.530 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.375 -3.710 1.866 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.158 -5.054 1.378 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.024 -6.378 1.552 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.635 -6.658 3.926 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.662 -5.239 3.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.946 -7.260 3.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.039 -6.339 2.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.044 -7.714 2.263 1.00 0.00 H new ATOM 1036 N GLN A 66 -5.000 -3.757 4.633 1.00 0.00 N ATOM 1037 CA GLN A 66 -4.735 -2.997 5.829 1.00 0.00 C ATOM 1038 C GLN A 66 -3.737 -1.905 5.550 1.00 0.00 C ATOM 1039 O GLN A 66 -4.018 -0.753 5.791 1.00 0.00 O ATOM 1040 CB GLN A 66 -4.218 -3.894 6.944 1.00 0.00 C ATOM 1041 CG GLN A 66 -4.519 -5.370 6.682 1.00 0.00 C ATOM 1042 CD GLN A 66 -4.647 -6.170 7.946 1.00 0.00 C ATOM 1043 OE1 GLN A 66 -5.338 -5.791 8.868 1.00 0.00 O ATOM 1044 NE2 GLN A 66 -3.984 -7.310 7.969 1.00 0.00 N ATOM 0 H GLN A 66 -4.540 -4.668 4.626 1.00 0.00 H new ATOM 0 HA GLN A 66 -5.674 -2.548 6.153 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.142 -3.757 7.049 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.671 -3.594 7.889 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.443 -5.452 6.110 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.725 -5.795 6.067 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.416 -7.586 7.168 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.040 -7.916 8.788 1.00 0.00 H new ATOM 1053 N ALA A 67 -2.567 -2.236 5.042 1.00 0.00 N ATOM 1054 CA ALA A 67 -1.569 -1.253 4.672 1.00 0.00 C ATOM 1055 C ALA A 67 -2.128 -0.282 3.623 1.00 0.00 C ATOM 1056 O ALA A 67 -1.563 0.762 3.390 1.00 0.00 O ATOM 1057 CB ALA A 67 -0.325 -1.983 4.173 1.00 0.00 C ATOM 0 H ALA A 67 -2.280 -3.200 4.873 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.296 -0.651 5.539 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.435 -1.255 3.891 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.063 -2.624 4.965 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.583 -2.592 3.307 1.00 0.00 H new ATOM 1063 N ALA A 68 -3.272 -0.590 3.034 1.00 0.00 N ATOM 1064 CA ALA A 68 -3.899 0.216 2.033 1.00 0.00 C ATOM 1065 C ALA A 68 -4.892 1.132 2.721 1.00 0.00 C ATOM 1066 O ALA A 68 -4.818 2.348 2.625 1.00 0.00 O ATOM 1067 CB ALA A 68 -4.571 -0.688 1.002 1.00 0.00 C ATOM 0 H ALA A 68 -3.796 -1.437 3.256 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.170 0.828 1.502 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.050 -0.075 0.238 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.822 -1.329 0.537 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.322 -1.306 1.494 1.00 0.00 H new ATOM 1073 N LYS A 69 -5.868 0.554 3.421 1.00 0.00 N ATOM 1074 CA LYS A 69 -6.875 1.317 4.134 1.00 0.00 C ATOM 1075 C LYS A 69 -6.206 2.109 5.234 1.00 0.00 C ATOM 1076 O LYS A 69 -6.483 3.268 5.414 1.00 0.00 O ATOM 1077 CB LYS A 69 -7.975 0.392 4.655 1.00 0.00 C ATOM 1078 CG LYS A 69 -7.438 -0.659 5.632 1.00 0.00 C ATOM 1079 CD LYS A 69 -8.232 -1.966 5.533 1.00 0.00 C ATOM 1080 CE LYS A 69 -9.596 -1.816 6.179 1.00 0.00 C ATOM 1081 NZ LYS A 69 -9.631 -2.543 7.460 1.00 0.00 N ATOM 0 H LYS A 69 -5.977 -0.457 3.506 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.361 2.024 3.462 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.742 0.987 5.151 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.454 -0.109 3.814 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.386 -0.852 5.420 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.492 -0.274 6.650 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.349 -2.248 4.487 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.680 -2.770 6.020 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.815 -0.761 6.344 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.367 -2.201 5.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.569 -2.435 7.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.442 -3.552 7.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.907 -2.157 8.098 1.00 0.00 H new ATOM 1095 N SER A 70 -5.321 1.506 5.998 1.00 0.00 N ATOM 1096 CA SER A 70 -4.590 2.141 7.069 1.00 0.00 C ATOM 1097 C SER A 70 -3.292 2.732 6.536 1.00 0.00 C ATOM 1098 O SER A 70 -2.217 2.509 7.085 1.00 0.00 O ATOM 1099 CB SER A 70 -4.315 1.164 8.218 1.00 0.00 C ATOM 1100 OG SER A 70 -5.344 1.148 9.189 1.00 0.00 O ATOM 0 H SER A 70 -5.083 0.521 5.884 1.00 0.00 H new ATOM 0 HA SER A 70 -5.205 2.947 7.470 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.191 0.160 7.812 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.374 1.432 8.698 1.00 0.00 H new ATOM 0 HG SER A 70 -5.117 0.508 9.895 1.00 0.00 H new ATOM 1106 N VAL A 71 -3.390 3.495 5.451 1.00 0.00 N ATOM 1107 CA VAL A 71 -2.235 4.117 4.847 1.00 0.00 C ATOM 1108 C VAL A 71 -2.201 5.559 5.261 1.00 0.00 C ATOM 1109 O VAL A 71 -1.134 6.073 5.548 1.00 0.00 O ATOM 1110 CB VAL A 71 -2.267 3.936 3.335 1.00 0.00 C ATOM 1111 CG1 VAL A 71 -3.087 5.021 2.670 1.00 0.00 C ATOM 1112 CG2 VAL A 71 -0.879 3.905 2.739 1.00 0.00 C ATOM 0 H VAL A 71 -4.270 3.693 4.975 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.316 3.643 5.191 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.738 2.971 3.147 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.091 4.865 1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.110 4.986 3.045 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.652 5.995 2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.950 3.774 1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.368 4.842 2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.317 3.076 3.169 1.00 0.00 H new ATOM 1262 N GLN A 81 -9.174 9.022 2.195 1.00 0.00 N ATOM 1263 CA GLN A 81 -8.221 7.947 2.423 1.00 0.00 C ATOM 1264 C GLN A 81 -8.818 6.586 2.053 1.00 0.00 C ATOM 1265 O GLN A 81 -8.585 5.584 2.709 1.00 0.00 O ATOM 1266 CB GLN A 81 -7.725 7.996 3.868 1.00 0.00 C ATOM 1267 CG GLN A 81 -8.697 7.317 4.836 1.00 0.00 C ATOM 1268 CD GLN A 81 -8.142 6.001 5.356 1.00 0.00 C ATOM 1269 OE1 GLN A 81 -6.979 5.705 5.162 1.00 0.00 O ATOM 1270 NE2 GLN A 81 -8.974 5.286 6.087 1.00 0.00 N ATOM 0 HA GLN A 81 -7.360 8.087 1.769 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -6.751 7.510 3.933 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -7.583 9.035 4.167 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -8.901 7.983 5.674 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.647 7.138 4.333 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.939 5.593 6.209 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -8.653 4.426 6.531 1.00 0.00 H new ATOM 1279 N SER A 82 -9.666 6.570 1.040 1.00 0.00 N ATOM 1280 CA SER A 82 -10.300 5.342 0.610 1.00 0.00 C ATOM 1281 C SER A 82 -10.394 5.323 -0.891 1.00 0.00 C ATOM 1282 O SER A 82 -10.095 4.335 -1.510 1.00 0.00 O ATOM 1283 CB SER A 82 -11.701 5.234 1.209 1.00 0.00 C ATOM 1284 OG SER A 82 -12.124 3.892 1.276 1.00 0.00 O ATOM 0 H SER A 82 -9.930 7.395 0.501 1.00 0.00 H new ATOM 0 HA SER A 82 -9.702 4.497 0.951 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.707 5.670 2.208 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.403 5.810 0.606 1.00 0.00 H new ATOM 0 HG SER A 82 -13.023 3.851 1.665 1.00 0.00 H new ATOM 1290 N THR A 83 -10.774 6.429 -1.504 1.00 0.00 N ATOM 1291 CA THR A 83 -10.903 6.518 -2.946 1.00 0.00 C ATOM 1292 C THR A 83 -9.593 6.972 -3.544 1.00 0.00 C ATOM 1293 O THR A 83 -9.086 6.336 -4.448 1.00 0.00 O ATOM 1294 CB THR A 83 -12.045 7.465 -3.296 1.00 0.00 C ATOM 1295 OG1 THR A 83 -12.308 7.272 -4.654 1.00 0.00 O ATOM 1296 CG2 THR A 83 -11.664 8.947 -3.153 1.00 0.00 C ATOM 0 H THR A 83 -11.003 7.294 -1.014 1.00 0.00 H new ATOM 0 HA THR A 83 -11.139 5.540 -3.365 1.00 0.00 H new ATOM 0 HB THR A 83 -12.879 7.254 -2.626 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.041 7.860 -4.932 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.519 9.570 -3.416 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.371 9.150 -2.123 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.831 9.174 -3.818 1.00 0.00 H new ATOM 1304 N ARG A 84 -8.980 8.023 -2.987 1.00 0.00 N ATOM 1305 CA ARG A 84 -7.741 8.582 -3.485 1.00 0.00 C ATOM 1306 C ARG A 84 -6.634 7.590 -3.242 1.00 0.00 C ATOM 1307 O ARG A 84 -5.977 7.174 -4.185 1.00 0.00 O ATOM 1308 CB ARG A 84 -7.415 9.899 -2.778 1.00 0.00 C ATOM 1309 CG ARG A 84 -7.057 10.983 -3.797 1.00 0.00 C ATOM 1310 CD ARG A 84 -8.278 11.348 -4.657 1.00 0.00 C ATOM 1311 NE ARG A 84 -8.053 10.985 -6.071 1.00 0.00 N ATOM 1312 CZ ARG A 84 -8.773 11.422 -7.091 1.00 0.00 C ATOM 1313 NH1 ARG A 84 -9.779 12.245 -6.888 1.00 0.00 N ATOM 1314 NH2 ARG A 84 -8.490 11.039 -8.316 1.00 0.00 N ATOM 0 H ARG A 84 -9.345 8.508 -2.167 1.00 0.00 H new ATOM 0 HA ARG A 84 -7.843 8.785 -4.551 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.270 10.220 -2.183 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.584 9.752 -2.088 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.693 11.870 -3.278 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.247 10.634 -4.437 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.161 10.831 -4.281 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.477 12.417 -4.579 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.283 10.348 -6.277 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.006 12.549 -5.941 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.332 12.580 -7.677 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -7.712 10.402 -8.484 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -9.049 11.379 -9.099 1.00 0.00 H new ATOM 1328 N ILE A 85 -6.428 7.235 -1.972 1.00 0.00 N ATOM 1329 CA ILE A 85 -5.392 6.292 -1.597 1.00 0.00 C ATOM 1330 C ILE A 85 -5.449 5.082 -2.515 1.00 0.00 C ATOM 1331 O ILE A 85 -4.425 4.643 -3.006 1.00 0.00 O ATOM 1332 CB ILE A 85 -5.542 5.913 -0.121 1.00 0.00 C ATOM 1333 CG1 ILE A 85 -4.919 6.999 0.774 1.00 0.00 C ATOM 1334 CG2 ILE A 85 -4.937 4.537 0.141 1.00 0.00 C ATOM 1335 CD1 ILE A 85 -3.433 7.205 0.463 1.00 0.00 C ATOM 0 H ILE A 85 -6.973 7.593 -1.187 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.409 6.747 -1.714 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.602 5.853 0.127 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -5.454 7.938 0.633 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.036 6.719 1.821 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.052 4.284 1.195 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.448 3.793 -0.469 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.878 4.551 -0.115 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.029 7.979 1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.894 6.272 0.629 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.318 7.510 -0.577 1.00 0.00 H new ATOM 1347 N TYR A 86 -6.653 4.604 -2.796 1.00 0.00 N ATOM 1348 CA TYR A 86 -6.870 3.483 -3.673 1.00 0.00 C ATOM 1349 C TYR A 86 -6.601 3.864 -5.103 1.00 0.00 C ATOM 1350 O TYR A 86 -5.947 3.148 -5.823 1.00 0.00 O ATOM 1351 CB TYR A 86 -8.334 3.095 -3.563 1.00 0.00 C ATOM 1352 CG TYR A 86 -8.626 2.105 -2.439 1.00 0.00 C ATOM 1353 CD1 TYR A 86 -8.301 2.422 -1.113 1.00 0.00 C ATOM 1354 CD2 TYR A 86 -9.219 0.877 -2.744 1.00 0.00 C ATOM 1355 CE1 TYR A 86 -8.612 1.520 -0.066 1.00 0.00 C ATOM 1356 CE2 TYR A 86 -9.496 -0.053 -1.710 1.00 0.00 C ATOM 1357 CZ TYR A 86 -9.192 0.288 -0.384 1.00 0.00 C ATOM 1358 OH TYR A 86 -9.460 -0.594 0.626 1.00 0.00 O ATOM 0 H TYR A 86 -7.513 4.996 -2.411 1.00 0.00 H new ATOM 0 HA TYR A 86 -6.204 2.668 -3.390 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.928 3.995 -3.405 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -8.658 2.662 -4.509 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -7.811 3.358 -0.889 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.466 0.636 -3.767 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.404 1.780 0.962 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -9.936 -1.012 -1.941 1.00 0.00 H new ATOM 0 HH TYR A 86 -9.863 -1.406 0.253 1.00 0.00 H new ATOM 1368 N GLN A 87 -7.018 5.032 -5.540 1.00 0.00 N ATOM 1369 CA GLN A 87 -6.797 5.523 -6.879 1.00 0.00 C ATOM 1370 C GLN A 87 -5.309 5.483 -7.203 1.00 0.00 C ATOM 1371 O GLN A 87 -4.919 5.407 -8.357 1.00 0.00 O ATOM 1372 CB GLN A 87 -7.334 6.946 -7.034 1.00 0.00 C ATOM 1373 CG GLN A 87 -7.880 7.165 -8.446 1.00 0.00 C ATOM 1374 CD GLN A 87 -6.765 7.326 -9.467 1.00 0.00 C ATOM 1375 OE1 GLN A 87 -5.657 7.735 -9.179 1.00 0.00 O ATOM 1376 NE2 GLN A 87 -7.064 6.997 -10.707 1.00 0.00 N ATOM 0 H GLN A 87 -7.537 5.686 -4.953 1.00 0.00 H new ATOM 0 HA GLN A 87 -7.334 4.881 -7.577 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -8.122 7.125 -6.302 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -6.540 7.664 -6.830 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.510 6.321 -8.727 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.513 8.052 -8.457 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -7.998 6.655 -10.933 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -6.361 7.084 -11.441 1.00 0.00 H new ATOM 1385 N ILE A 88 -4.451 5.433 -6.196 1.00 0.00 N ATOM 1386 CA ILE A 88 -3.025 5.334 -6.387 1.00 0.00 C ATOM 1387 C ILE A 88 -2.531 3.954 -5.989 1.00 0.00 C ATOM 1388 O ILE A 88 -1.633 3.413 -6.625 1.00 0.00 O ATOM 1389 CB ILE A 88 -2.355 6.451 -5.591 1.00 0.00 C ATOM 1390 CG1 ILE A 88 -2.688 7.824 -6.202 1.00 0.00 C ATOM 1391 CG2 ILE A 88 -0.850 6.232 -5.531 1.00 0.00 C ATOM 1392 CD1 ILE A 88 -3.073 8.825 -5.108 1.00 0.00 C ATOM 0 H ILE A 88 -4.735 5.461 -5.217 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.767 5.458 -7.439 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.742 6.432 -4.572 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.828 8.198 -6.758 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.508 7.722 -6.913 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.388 7.037 -4.960 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.640 5.278 -5.048 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.443 6.224 -6.542 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.304 9.789 -5.562 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -3.947 8.458 -4.570 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.242 8.942 -4.413 1.00 0.00 H new ATOM 1404 N ALA A 89 -3.162 3.353 -4.986 1.00 0.00 N ATOM 1405 CA ALA A 89 -2.828 2.022 -4.532 1.00 0.00 C ATOM 1406 C ALA A 89 -3.474 0.987 -5.445 1.00 0.00 C ATOM 1407 O ALA A 89 -3.351 -0.206 -5.227 1.00 0.00 O ATOM 1408 CB ALA A 89 -3.259 1.859 -3.079 1.00 0.00 C ATOM 0 H ALA A 89 -3.925 3.786 -4.466 1.00 0.00 H new ATOM 0 HA ALA A 89 -1.750 1.867 -4.578 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.008 0.856 -2.735 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.743 2.594 -2.462 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.335 2.011 -3.000 1.00 0.00 H new ATOM 1414 N LYS A 90 -4.136 1.435 -6.508 1.00 0.00 N ATOM 1415 CA LYS A 90 -4.820 0.575 -7.447 1.00 0.00 C ATOM 1416 C LYS A 90 -3.814 0.171 -8.492 1.00 0.00 C ATOM 1417 O LYS A 90 -3.842 -0.919 -9.016 1.00 0.00 O ATOM 1418 CB LYS A 90 -6.042 1.280 -8.036 1.00 0.00 C ATOM 1419 CG LYS A 90 -5.666 2.524 -8.835 1.00 0.00 C ATOM 1420 CD LYS A 90 -5.950 2.326 -10.325 1.00 0.00 C ATOM 1421 CE LYS A 90 -6.227 3.660 -11.017 1.00 0.00 C ATOM 1422 NZ LYS A 90 -5.125 4.607 -10.776 1.00 0.00 N ATOM 0 H LYS A 90 -4.209 2.426 -6.738 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.208 -0.319 -6.959 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -6.582 0.587 -8.681 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.720 1.560 -7.230 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.228 3.382 -8.465 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -4.609 2.748 -8.689 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -5.098 1.838 -10.798 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.807 1.664 -10.450 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.350 3.502 -12.088 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.162 4.080 -10.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.896 5.105 -11.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.413 5.298 -10.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.287 4.088 -10.444 1.00 0.00 H new ATOM 1436 N ASN A 91 -2.853 1.034 -8.801 1.00 0.00 N ATOM 1437 CA ASN A 91 -1.806 0.737 -9.755 1.00 0.00 C ATOM 1438 C ASN A 91 -0.640 0.051 -9.051 1.00 0.00 C ATOM 1439 O ASN A 91 0.486 0.059 -9.523 1.00 0.00 O ATOM 1440 CB ASN A 91 -1.332 2.020 -10.435 1.00 0.00 C ATOM 1441 CG ASN A 91 -1.796 2.092 -11.870 1.00 0.00 C ATOM 1442 OD1 ASN A 91 -1.127 1.681 -12.796 1.00 0.00 O ATOM 1443 ND2 ASN A 91 -3.002 2.600 -12.043 1.00 0.00 N ATOM 0 H ASN A 91 -2.783 1.965 -8.390 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.202 0.066 -10.517 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -1.708 2.884 -9.887 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.244 2.070 -10.401 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.402 2.657 -12.980 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -3.534 2.935 -11.240 1.00 0.00 H new ATOM 1450 N LEU A 92 -0.873 -0.484 -7.867 1.00 0.00 N ATOM 1451 CA LEU A 92 0.154 -1.160 -7.108 1.00 0.00 C ATOM 1452 C LEU A 92 0.376 -2.542 -7.682 1.00 0.00 C ATOM 1453 O LEU A 92 1.467 -2.849 -8.095 1.00 0.00 O ATOM 1454 CB LEU A 92 -0.246 -1.222 -5.634 1.00 0.00 C ATOM 1455 CG LEU A 92 0.513 -0.264 -4.726 1.00 0.00 C ATOM 1456 CD1 LEU A 92 -0.137 -0.203 -3.342 1.00 0.00 C ATOM 1457 CD2 LEU A 92 1.990 -0.653 -4.635 1.00 0.00 C ATOM 0 H LEU A 92 -1.783 -0.460 -7.406 1.00 0.00 H new ATOM 0 HA LEU A 92 1.091 -0.608 -7.176 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.312 -1.010 -5.552 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.094 -2.239 -5.273 1.00 0.00 H new ATOM 0 HG LEU A 92 0.463 0.734 -5.161 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.420 0.487 -2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.166 0.143 -3.438 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.129 -1.196 -2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.511 0.046 -3.981 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.076 -1.661 -4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.437 -0.621 -5.629 1.00 0.00 H new ATOM 1469 N PRO A 93 -0.664 -3.379 -7.769 1.00 0.00 N ATOM 1470 CA PRO A 93 -0.566 -4.703 -8.355 1.00 0.00 C ATOM 1471 C PRO A 93 -0.460 -4.658 -9.872 1.00 0.00 C ATOM 1472 O PRO A 93 -0.393 -5.703 -10.506 1.00 0.00 O ATOM 1473 CB PRO A 93 -1.797 -5.468 -7.862 1.00 0.00 C ATOM 1474 CG PRO A 93 -2.794 -4.390 -7.437 1.00 0.00 C ATOM 1475 CD PRO A 93 -2.017 -3.086 -7.346 1.00 0.00 C ATOM 0 HA PRO A 93 0.349 -5.208 -8.045 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -2.210 -6.099 -8.649 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -1.546 -6.123 -7.028 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.606 -4.307 -8.160 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.246 -4.638 -6.477 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.465 -2.323 -7.983 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.029 -2.698 -6.327 1.00 0.00 H new ATOM 1483 N ASN A 94 -0.449 -3.454 -10.428 1.00 0.00 N ATOM 1484 CA ASN A 94 -0.338 -3.265 -11.848 1.00 0.00 C ATOM 1485 C ASN A 94 1.090 -2.916 -12.209 1.00 0.00 C ATOM 1486 O ASN A 94 1.665 -3.453 -13.145 1.00 0.00 O ATOM 1487 CB ASN A 94 -1.247 -2.122 -12.294 1.00 0.00 C ATOM 1488 CG ASN A 94 -2.710 -2.517 -12.288 1.00 0.00 C ATOM 1489 OD1 ASN A 94 -3.073 -3.677 -12.287 1.00 0.00 O ATOM 1490 ND2 ASN A 94 -3.562 -1.511 -12.256 1.00 0.00 N ATOM 0 H ASN A 94 -0.518 -2.586 -9.897 1.00 0.00 H new ATOM 0 HA ASN A 94 -0.633 -4.188 -12.347 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -1.101 -1.266 -11.635 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -0.963 -1.804 -13.297 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -4.565 -1.693 -12.229 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -3.218 -0.551 -12.258 1.00 0.00 H new ATOM 1497 N VAL A 95 1.671 -1.997 -11.451 1.00 0.00 N ATOM 1498 CA VAL A 95 3.032 -1.546 -11.693 1.00 0.00 C ATOM 1499 C VAL A 95 3.984 -2.313 -10.789 1.00 0.00 C ATOM 1500 O VAL A 95 5.181 -2.352 -11.006 1.00 0.00 O ATOM 1501 CB VAL A 95 3.143 -0.035 -11.469 1.00 0.00 C ATOM 1502 CG1 VAL A 95 4.429 0.515 -12.088 1.00 0.00 C ATOM 1503 CG2 VAL A 95 1.932 0.699 -12.064 1.00 0.00 C ATOM 0 H VAL A 95 1.216 -1.547 -10.657 1.00 0.00 H new ATOM 0 HA VAL A 95 3.303 -1.743 -12.730 1.00 0.00 H new ATOM 0 HB VAL A 95 3.166 0.136 -10.393 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.485 1.590 -11.916 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.290 0.029 -11.630 1.00 0.00 H new ATOM 0 HG13 VAL A 95 4.430 0.319 -13.160 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.035 1.770 -11.892 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.881 0.507 -13.136 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.019 0.341 -11.587 1.00 0.00 H new ATOM 1513 N CYS A 96 3.434 -2.984 -9.786 1.00 0.00 N ATOM 1514 CA CYS A 96 4.186 -3.769 -8.837 1.00 0.00 C ATOM 1515 C CYS A 96 3.540 -5.126 -8.746 1.00 0.00 C ATOM 1516 O CYS A 96 3.449 -5.637 -7.647 1.00 0.00 O ATOM 1517 CB CYS A 96 4.300 -3.065 -7.474 1.00 0.00 C ATOM 1518 SG CYS A 96 5.905 -2.306 -7.143 1.00 0.00 S ATOM 0 H CYS A 96 2.429 -2.993 -9.612 1.00 0.00 H new ATOM 0 HA CYS A 96 5.215 -3.887 -9.176 1.00 0.00 H new ATOM 0 HB2 CYS A 96 3.531 -2.295 -7.414 1.00 0.00 H new ATOM 0 HB3 CYS A 96 4.088 -3.790 -6.688 1.00 0.00 H new ATOM 1523 N ASN A 97 3.059 -5.676 -9.863 1.00 0.00 N ATOM 1524 CA ASN A 97 2.431 -6.978 -9.906 1.00 0.00 C ATOM 1525 C ASN A 97 3.006 -7.895 -8.840 1.00 0.00 C ATOM 1526 O ASN A 97 4.083 -8.449 -9.036 1.00 0.00 O ATOM 1527 CB ASN A 97 2.633 -7.638 -11.266 1.00 0.00 C ATOM 1528 CG ASN A 97 1.531 -7.291 -12.232 1.00 0.00 C ATOM 1529 OD1 ASN A 97 0.650 -8.071 -12.525 1.00 0.00 O ATOM 1530 ND2 ASN A 97 1.601 -6.078 -12.723 1.00 0.00 N ATOM 0 H ASN A 97 3.100 -5.214 -10.771 1.00 0.00 H new ATOM 0 HA ASN A 97 1.367 -6.825 -9.726 1.00 0.00 H new ATOM 0 HB2 ASN A 97 3.591 -7.325 -11.682 1.00 0.00 H new ATOM 0 HB3 ASN A 97 2.678 -8.720 -11.141 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.894 -5.753 -13.383 1.00 0.00 H new ATOM 0 HD22 ASN A 97 2.362 -5.459 -12.445 1.00 0.00 H new ATOM 1537 N MET A 98 2.301 -8.007 -7.718 1.00 0.00 N ATOM 1538 CA MET A 98 2.780 -8.757 -6.578 1.00 0.00 C ATOM 1539 C MET A 98 1.709 -9.719 -6.146 1.00 0.00 C ATOM 1540 O MET A 98 1.616 -10.108 -5.001 1.00 0.00 O ATOM 1541 CB MET A 98 3.208 -7.844 -5.437 1.00 0.00 C ATOM 1542 CG MET A 98 2.039 -6.978 -4.982 1.00 0.00 C ATOM 1543 SD MET A 98 2.431 -5.226 -5.062 1.00 0.00 S ATOM 1544 CE MET A 98 1.042 -4.531 -4.195 1.00 0.00 C ATOM 0 H MET A 98 1.385 -7.579 -7.581 1.00 0.00 H new ATOM 0 HA MET A 98 3.670 -9.315 -6.868 1.00 0.00 H new ATOM 0 HB2 MET A 98 3.573 -8.442 -4.602 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.034 -7.210 -5.760 1.00 0.00 H new ATOM 0 HG2 MET A 98 1.170 -7.184 -5.607 1.00 0.00 H new ATOM 0 HG3 MET A 98 1.767 -7.243 -3.960 1.00 0.00 H new ATOM 0 HE1 MET A 98 1.338 -3.592 -3.728 1.00 0.00 H new ATOM 0 HE2 MET A 98 0.229 -4.347 -4.898 1.00 0.00 H new ATOM 0 HE3 MET A 98 0.707 -5.228 -3.427 1.00 0.00 H new ATOM 1554 N LYS A 99 0.781 -10.053 -7.036 1.00 0.00 N ATOM 1555 CA LYS A 99 -0.305 -10.969 -6.746 1.00 0.00 C ATOM 1556 C LYS A 99 -0.954 -11.385 -8.057 1.00 0.00 C ATOM 1557 O LYS A 99 -2.068 -10.966 -8.369 1.00 0.00 O ATOM 1558 CB LYS A 99 -1.263 -10.314 -5.754 1.00 0.00 C ATOM 1559 CG LYS A 99 -2.526 -11.153 -5.568 1.00 0.00 C ATOM 1560 CD LYS A 99 -3.776 -10.272 -5.590 1.00 0.00 C ATOM 1561 CE LYS A 99 -3.689 -9.191 -4.514 1.00 0.00 C ATOM 1562 NZ LYS A 99 -3.404 -7.870 -5.112 1.00 0.00 N ATOM 0 H LYS A 99 0.766 -9.689 -7.989 1.00 0.00 H new ATOM 0 HA LYS A 99 0.049 -11.882 -6.268 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -0.764 -10.186 -4.793 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.533 -9.319 -6.108 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.590 -11.901 -6.358 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.473 -11.692 -4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.884 -9.809 -6.571 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.663 -10.885 -5.427 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.627 -9.149 -3.960 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -2.907 -9.447 -3.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.556 -7.463 -4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.241 -7.979 -6.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.214 -7.237 -4.957 1.00 0.00 H new ATOM 1576 N GLN A 100 -0.239 -12.207 -8.815 1.00 0.00 N ATOM 1577 CA GLN A 100 -0.764 -12.695 -10.078 1.00 0.00 C ATOM 1578 C GLN A 100 -1.851 -13.731 -9.841 1.00 0.00 C ATOM 1579 O GLN A 100 -2.800 -13.807 -10.603 1.00 0.00 O ATOM 1580 CB GLN A 100 0.369 -13.289 -10.919 1.00 0.00 C ATOM 1581 CG GLN A 100 0.147 -12.972 -12.404 1.00 0.00 C ATOM 1582 CD GLN A 100 -0.879 -13.895 -13.049 1.00 0.00 C ATOM 1583 OE1 GLN A 100 -1.378 -14.842 -12.474 1.00 0.00 O ATOM 1584 NE2 GLN A 100 -1.143 -13.666 -14.316 1.00 0.00 N ATOM 0 H GLN A 100 0.694 -12.545 -8.579 1.00 0.00 H new ATOM 0 HA GLN A 100 -1.205 -11.859 -10.621 1.00 0.00 H new ATOM 0 HB2 GLN A 100 1.326 -12.883 -10.592 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.414 -14.368 -10.772 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.183 -11.938 -12.506 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.094 -13.058 -12.936 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -0.719 -12.868 -14.789 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -1.772 -14.286 -14.826 1.00 0.00 H new ATOM 1593 N ILE A 101 -1.735 -14.468 -8.741 1.00 0.00 N ATOM 1594 CA ILE A 101 -2.710 -15.466 -8.370 1.00 0.00 C ATOM 1595 C ILE A 101 -4.119 -14.865 -8.430 1.00 0.00 C ATOM 1596 O ILE A 101 -4.837 -15.049 -9.408 1.00 0.00 O ATOM 1597 CB ILE A 101 -2.364 -16.079 -6.999 1.00 0.00 C ATOM 1598 CG1 ILE A 101 -3.573 -16.827 -6.407 1.00 0.00 C ATOM 1599 CG2 ILE A 101 -1.829 -15.014 -6.027 1.00 0.00 C ATOM 1600 CD1 ILE A 101 -4.209 -17.756 -7.447 1.00 0.00 C ATOM 0 H ILE A 101 -0.958 -14.384 -8.086 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.687 -16.290 -9.083 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.567 -16.807 -7.152 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.257 -17.408 -5.541 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -4.313 -16.108 -6.056 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.595 -15.480 -5.070 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -0.927 -14.563 -6.442 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.585 -14.243 -5.880 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -5.060 -18.272 -7.002 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.546 -17.169 -8.301 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -3.473 -18.489 -7.778 1.00 0.00 H new ATOM 1612 N GLY A 102 -4.505 -14.139 -7.377 1.00 0.00 N ATOM 1613 CA GLY A 102 -5.822 -13.553 -7.294 1.00 0.00 C ATOM 1614 C GLY A 102 -6.459 -13.820 -5.948 1.00 0.00 C ATOM 1615 O GLY A 102 -7.491 -14.469 -5.853 1.00 0.00 O ATOM 0 H GLY A 102 -3.910 -13.949 -6.570 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.755 -12.478 -7.460 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -6.453 -13.959 -8.084 1.00 0.00 H new ATOM 1619 N THR A 103 -5.830 -13.311 -4.893 1.00 0.00 N ATOM 1620 CA THR A 103 -6.340 -13.480 -3.540 1.00 0.00 C ATOM 1621 C THR A 103 -7.294 -12.346 -3.182 1.00 0.00 C ATOM 1622 O THR A 103 -8.431 -12.575 -2.789 1.00 0.00 O ATOM 1623 CB THR A 103 -5.168 -13.569 -2.570 1.00 0.00 C ATOM 1624 OG1 THR A 103 -5.716 -13.758 -1.296 1.00 0.00 O ATOM 1625 CG2 THR A 103 -4.364 -12.272 -2.504 1.00 0.00 C ATOM 0 H THR A 103 -4.963 -12.776 -4.952 1.00 0.00 H new ATOM 0 HA THR A 103 -6.911 -14.406 -3.473 1.00 0.00 H new ATOM 0 HB THR A 103 -4.509 -14.372 -2.899 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.348 -13.091 -0.679 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.541 -12.389 -1.799 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.965 -12.041 -3.492 1.00 0.00 H new ATOM 0 HG23 THR A 103 -5.011 -11.459 -2.174 1.00 0.00 H new ATOM 1633 N CYS A 104 -6.843 -11.100 -3.353 1.00 0.00 N ATOM 1634 CA CYS A 104 -7.625 -9.919 -3.046 1.00 0.00 C ATOM 1635 C CYS A 104 -7.293 -8.848 -4.086 1.00 0.00 C ATOM 1636 O CYS A 104 -6.497 -7.931 -3.893 1.00 0.00 O ATOM 1637 CB CYS A 104 -7.414 -9.450 -1.602 1.00 0.00 C ATOM 1638 SG CYS A 104 -7.334 -7.640 -1.282 1.00 0.00 S ATOM 0 H CYS A 104 -5.912 -10.890 -3.713 1.00 0.00 H new ATOM 0 HA CYS A 104 -8.689 -10.147 -3.106 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -8.222 -9.860 -0.997 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -6.487 -9.894 -1.239 1.00 0.00 H new ATOM 1643 N PRO A 105 -7.771 -9.041 -5.310 1.00 0.00 N ATOM 1644 CA PRO A 105 -7.543 -8.076 -6.367 1.00 0.00 C ATOM 1645 C PRO A 105 -8.356 -6.805 -6.175 1.00 0.00 C ATOM 1646 O PRO A 105 -9.342 -6.798 -5.447 1.00 0.00 O ATOM 1647 CB PRO A 105 -7.873 -8.797 -7.671 1.00 0.00 C ATOM 1648 CG PRO A 105 -8.747 -9.984 -7.256 1.00 0.00 C ATOM 1649 CD PRO A 105 -8.613 -10.133 -5.740 1.00 0.00 C ATOM 0 HA PRO A 105 -6.509 -7.731 -6.368 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -8.401 -8.140 -8.362 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.968 -9.131 -8.177 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -9.787 -9.813 -7.536 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.426 -10.894 -7.762 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -9.588 -10.089 -5.255 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -8.170 -11.094 -5.479 1.00 0.00 H new ATOM 1657 N PHE A 106 -7.908 -5.732 -6.824 1.00 0.00 N ATOM 1658 CA PHE A 106 -8.584 -4.453 -6.713 1.00 0.00 C ATOM 1659 C PHE A 106 -8.010 -3.463 -7.687 1.00 0.00 C ATOM 1660 O PHE A 106 -6.788 -3.420 -7.801 1.00 0.00 O ATOM 1661 CB PHE A 106 -8.370 -3.933 -5.289 1.00 0.00 C ATOM 1662 CG PHE A 106 -7.909 -2.486 -5.198 1.00 0.00 C ATOM 1663 CD1 PHE A 106 -8.708 -1.466 -5.721 1.00 0.00 C ATOM 1664 CD2 PHE A 106 -6.672 -2.182 -4.635 1.00 0.00 C ATOM 1665 CE1 PHE A 106 -8.256 -0.136 -5.696 1.00 0.00 C ATOM 1666 CE2 PHE A 106 -6.249 -0.843 -4.566 1.00 0.00 C ATOM 1667 CZ PHE A 106 -7.048 0.163 -5.088 1.00 0.00 C ATOM 0 H PHE A 106 -7.085 -5.728 -7.427 1.00 0.00 H new ATOM 0 HA PHE A 106 -9.644 -4.578 -6.934 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.303 -4.037 -4.736 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -7.633 -4.566 -4.794 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -9.673 -1.700 -6.145 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -6.041 -2.971 -4.253 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -8.846 0.648 -6.148 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -5.303 -0.598 -4.107 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.725 1.191 -5.020 1.00 0.00 H new ATOM 1677 N ILE A 107 -8.883 -2.661 -8.307 1.00 0.00 N ATOM 1678 CA ILE A 107 -8.478 -1.656 -9.274 1.00 0.00 C ATOM 1679 C ILE A 107 -9.702 -1.018 -9.890 1.00 0.00 C ATOM 1680 O ILE A 107 -9.683 0.185 -10.103 1.00 0.00 O ATOM 1681 CB ILE A 107 -7.564 -2.272 -10.352 1.00 0.00 C ATOM 1682 CG1 ILE A 107 -7.826 -3.782 -10.536 1.00 0.00 C ATOM 1683 CG2 ILE A 107 -6.101 -2.000 -10.016 1.00 0.00 C ATOM 1684 CD1 ILE A 107 -7.597 -4.208 -11.965 1.00 0.00 C ATOM 0 H ILE A 107 -9.890 -2.697 -8.146 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.905 -0.882 -8.764 1.00 0.00 H new ATOM 0 HB ILE A 107 -7.798 -1.796 -11.304 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -7.171 -4.350 -9.876 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -8.851 -4.014 -10.245 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -5.464 -2.439 -10.783 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -5.931 -0.924 -9.975 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -5.862 -2.442 -9.049 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -7.790 -5.276 -12.061 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -8.271 -3.657 -12.621 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -6.565 -3.999 -12.246 1.00 0.00 H new ATOM 1696 N ALA A 108 -10.724 -1.825 -10.183 1.00 0.00 N ATOM 1697 CA ALA A 108 -11.966 -1.340 -10.746 1.00 0.00 C ATOM 1698 C ALA A 108 -12.696 -0.457 -9.727 1.00 0.00 C ATOM 1699 O ALA A 108 -13.665 -0.891 -9.113 1.00 0.00 O ATOM 1700 CB ALA A 108 -12.813 -2.530 -11.193 1.00 0.00 C ATOM 0 H ALA A 108 -10.704 -2.834 -10.033 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.768 -0.721 -11.621 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -13.750 -2.170 -11.618 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -12.269 -3.102 -11.945 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -13.025 -3.168 -10.335 1.00 0.00 H new ATOM 1706 N ILE A 109 -12.188 0.757 -9.537 1.00 0.00 N ATOM 1707 CA ILE A 109 -12.736 1.708 -8.593 1.00 0.00 C ATOM 1708 C ILE A 109 -13.275 2.933 -9.361 1.00 0.00 C ATOM 1709 O ILE A 109 -14.505 3.112 -9.374 1.00 0.00 O ATOM 1710 CB ILE A 109 -11.708 2.055 -7.511 1.00 0.00 C ATOM 1711 CG1 ILE A 109 -10.391 2.559 -8.116 1.00 0.00 C ATOM 1712 CG2 ILE A 109 -11.470 0.866 -6.573 1.00 0.00 C ATOM 1713 CD1 ILE A 109 -9.689 3.527 -7.177 1.00 0.00 C ATOM 1714 OXT ILE A 109 -12.477 3.707 -9.930 1.00 0.00 O ATOM 0 H ILE A 109 -11.374 1.106 -10.044 1.00 0.00 H new ATOM 0 HA ILE A 109 -13.579 1.270 -8.059 1.00 0.00 H new ATOM 0 HB ILE A 109 -12.123 2.871 -6.919 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -9.737 1.713 -8.326 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -10.590 3.051 -9.068 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.736 1.141 -5.816 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -12.407 0.592 -6.088 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -11.098 0.018 -7.148 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.759 3.867 -7.633 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -10.335 4.384 -6.989 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.469 3.025 -6.235 1.00 0.00 H new