USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 440 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 26 THR OG1 : rot -28:sc= -2.94! USER MOD Set 1.2: A 39 SER OG : rot 75:sc= 1.06 USER MOD Single : A 1 ILE N :NH3+ 168:sc= -0.596 (180deg=-0.949) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 164:sc= -0.381 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -151:sc= -0.941 (180deg=-2.28!) USER MOD Single : A 30 LYS NZ :NH3+ 165:sc= -0.106 (180deg=-0.519) USER MOD Single : A 31 CYS SG : rot 170:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 120:sc= -2.22! USER MOD Single : A 41 ASN : amide:sc= -0.0112 K(o=-0.011,f=-0.95) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= -0.0225 USER MOD Single : A 50 ASN : amide:sc=-0.00204 K(o=-0.002,f=-0.54) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 10.425 -2.184 8.601 1.00 0.00 N ATOM 2 CA ILE A 1 9.245 -1.443 9.122 1.00 0.00 C ATOM 3 C ILE A 1 8.112 -1.425 8.097 1.00 0.00 C ATOM 4 O ILE A 1 8.253 -0.853 7.017 1.00 0.00 O ATOM 5 CB ILE A 1 9.599 0.014 9.498 1.00 0.00 C ATOM 6 CG1 ILE A 1 10.771 0.527 8.657 1.00 0.00 C ATOM 7 CG2 ILE A 1 9.925 0.112 10.981 1.00 0.00 C ATOM 8 CD1 ILE A 1 10.397 0.835 7.223 1.00 0.00 C ATOM 0 H1 ILE A 1 11.243 -2.012 9.219 1.00 0.00 H new ATOM 0 H2 ILE A 1 10.214 -3.202 8.580 1.00 0.00 H new ATOM 0 H3 ILE A 1 10.643 -1.856 7.638 1.00 0.00 H new ATOM 0 HA ILE A 1 8.921 -1.970 10.020 1.00 0.00 H new ATOM 0 HB ILE A 1 8.732 0.641 9.288 1.00 0.00 H new ATOM 0 HG12 ILE A 1 11.173 1.428 9.120 1.00 0.00 H new ATOM 0 HG13 ILE A 1 11.567 -0.218 8.664 1.00 0.00 H new ATOM 0 HG21 ILE A 1 10.172 1.144 11.232 1.00 0.00 H new ATOM 0 HG22 ILE A 1 9.062 -0.206 11.565 1.00 0.00 H new ATOM 0 HG23 ILE A 1 10.775 -0.531 11.210 1.00 0.00 H new ATOM 0 HD11 ILE A 1 11.276 1.194 6.687 1.00 0.00 H new ATOM 0 HD12 ILE A 1 10.022 -0.069 6.743 1.00 0.00 H new ATOM 0 HD13 ILE A 1 9.623 1.602 7.206 1.00 0.00 H new ATOM 22 N PRO A 2 6.967 -2.053 8.420 1.00 0.00 N ATOM 23 CA PRO A 2 5.817 -2.102 7.523 1.00 0.00 C ATOM 24 C PRO A 2 4.927 -0.872 7.662 1.00 0.00 C ATOM 25 O PRO A 2 5.324 0.128 8.259 1.00 0.00 O ATOM 26 CB PRO A 2 5.084 -3.353 7.996 1.00 0.00 C ATOM 27 CG PRO A 2 5.350 -3.411 9.463 1.00 0.00 C ATOM 28 CD PRO A 2 6.699 -2.766 9.685 1.00 0.00 C ATOM 0 HA PRO A 2 6.103 -2.123 6.471 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.016 -3.289 7.789 1.00 0.00 H new ATOM 0 HB3 PRO A 2 5.454 -4.245 7.490 1.00 0.00 H new ATOM 0 HG2 PRO A 2 4.573 -2.885 10.018 1.00 0.00 H new ATOM 0 HG3 PRO A 2 5.351 -4.442 9.816 1.00 0.00 H new ATOM 0 HD2 PRO A 2 6.679 -2.081 10.533 1.00 0.00 H new ATOM 0 HD3 PRO A 2 7.468 -3.510 9.894 1.00 0.00 H new ATOM 36 N ALA A 3 3.720 -0.953 7.111 1.00 0.00 N ATOM 37 CA ALA A 3 2.777 0.148 7.176 1.00 0.00 C ATOM 38 C ALA A 3 1.472 -0.287 7.839 1.00 0.00 C ATOM 39 O ALA A 3 1.158 -1.477 7.890 1.00 0.00 O ATOM 40 CB ALA A 3 2.507 0.702 5.785 1.00 0.00 C ATOM 0 H ALA A 3 3.375 -1.774 6.614 1.00 0.00 H new ATOM 0 HA ALA A 3 3.220 0.936 7.785 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.798 1.527 5.853 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.439 1.060 5.349 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.090 -0.084 5.155 1.00 0.00 H new ATOM 46 N PHE A 4 0.716 0.683 8.343 1.00 0.00 N ATOM 47 CA PHE A 4 -0.551 0.404 8.999 1.00 0.00 C ATOM 48 C PHE A 4 -1.716 0.950 8.173 1.00 0.00 C ATOM 49 O PHE A 4 -1.822 2.157 7.954 1.00 0.00 O ATOM 50 CB PHE A 4 -0.553 0.998 10.411 1.00 0.00 C ATOM 51 CG PHE A 4 -1.900 1.473 10.889 1.00 0.00 C ATOM 52 CD1 PHE A 4 -2.903 0.566 11.189 1.00 0.00 C ATOM 53 CD2 PHE A 4 -2.159 2.827 11.036 1.00 0.00 C ATOM 54 CE1 PHE A 4 -4.139 0.999 11.627 1.00 0.00 C ATOM 55 CE2 PHE A 4 -3.393 3.266 11.474 1.00 0.00 C ATOM 56 CZ PHE A 4 -4.385 2.351 11.770 1.00 0.00 C ATOM 0 H PHE A 4 0.962 1.672 8.308 1.00 0.00 H new ATOM 0 HA PHE A 4 -0.676 -0.676 9.079 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.179 0.247 11.107 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.144 1.835 10.440 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.716 -0.492 11.079 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.387 3.546 10.805 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.913 0.281 11.858 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -3.582 4.323 11.585 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.351 2.692 12.112 1.00 0.00 H new ATOM 66 N VAL A 5 -2.584 0.054 7.715 1.00 0.00 N ATOM 67 CA VAL A 5 -3.737 0.444 6.910 1.00 0.00 C ATOM 68 C VAL A 5 -4.932 0.805 7.790 1.00 0.00 C ATOM 69 O VAL A 5 -5.095 0.260 8.882 1.00 0.00 O ATOM 70 CB VAL A 5 -4.146 -0.681 5.940 1.00 0.00 C ATOM 71 CG1 VAL A 5 -5.209 -0.193 4.967 1.00 0.00 C ATOM 72 CG2 VAL A 5 -2.931 -1.213 5.191 1.00 0.00 C ATOM 0 H VAL A 5 -2.511 -0.949 7.888 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.440 1.321 6.336 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.570 -1.498 6.524 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.483 -1.003 4.291 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.090 0.130 5.522 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.817 0.644 4.389 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.241 -2.007 4.511 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.473 -0.405 4.620 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.208 -1.609 5.905 1.00 0.00 H new ATOM 82 N LYS A 6 -5.759 1.733 7.313 1.00 0.00 N ATOM 83 CA LYS A 6 -6.933 2.170 8.067 1.00 0.00 C ATOM 84 C LYS A 6 -8.223 1.613 7.470 1.00 0.00 C ATOM 85 O LYS A 6 -8.822 0.685 8.014 1.00 0.00 O ATOM 86 CB LYS A 6 -6.998 3.701 8.120 1.00 0.00 C ATOM 87 CG LYS A 6 -5.650 4.369 8.350 1.00 0.00 C ATOM 88 CD LYS A 6 -5.412 5.499 7.360 1.00 0.00 C ATOM 89 CE LYS A 6 -4.651 6.648 7.998 1.00 0.00 C ATOM 90 NZ LYS A 6 -4.781 7.906 7.213 1.00 0.00 N ATOM 0 H LYS A 6 -5.639 2.195 6.412 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.835 1.781 9.080 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.420 4.069 7.185 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.680 3.998 8.916 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.605 4.759 9.367 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.855 3.629 8.257 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.853 5.122 6.504 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.368 5.860 6.982 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.022 6.812 9.010 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.598 6.382 8.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.247 8.665 7.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.403 7.758 6.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.784 8.175 7.152 1.00 0.00 H new ATOM 104 N PHE A 7 -8.651 2.196 6.359 1.00 0.00 N ATOM 105 CA PHE A 7 -9.876 1.776 5.690 1.00 0.00 C ATOM 106 C PHE A 7 -9.582 0.815 4.542 1.00 0.00 C ATOM 107 O PHE A 7 -8.478 0.798 3.999 1.00 0.00 O ATOM 108 CB PHE A 7 -10.643 2.995 5.173 1.00 0.00 C ATOM 109 CG PHE A 7 -11.929 3.249 5.907 1.00 0.00 C ATOM 110 CD1 PHE A 7 -12.801 2.208 6.186 1.00 0.00 C ATOM 111 CD2 PHE A 7 -12.266 4.529 6.319 1.00 0.00 C ATOM 112 CE1 PHE A 7 -13.984 2.439 6.862 1.00 0.00 C ATOM 113 CE2 PHE A 7 -13.448 4.765 6.995 1.00 0.00 C ATOM 114 CZ PHE A 7 -14.309 3.719 7.266 1.00 0.00 C ATOM 0 H PHE A 7 -8.165 2.966 5.899 1.00 0.00 H new ATOM 0 HA PHE A 7 -10.491 1.250 6.420 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -10.007 3.876 5.255 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -10.860 2.856 4.114 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -12.553 1.205 5.871 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -11.597 5.351 6.109 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -14.654 1.619 7.074 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -13.699 5.767 7.311 1.00 0.00 H new ATOM 0 HZ PHE A 7 -15.234 3.902 7.793 1.00 0.00 H new ATOM 124 N ALA A 8 -10.582 0.016 4.180 1.00 0.00 N ATOM 125 CA ALA A 8 -10.444 -0.950 3.101 1.00 0.00 C ATOM 126 C ALA A 8 -11.178 -0.494 1.843 1.00 0.00 C ATOM 127 O ALA A 8 -12.215 0.164 1.922 1.00 0.00 O ATOM 128 CB ALA A 8 -10.959 -2.311 3.547 1.00 0.00 C ATOM 0 H ALA A 8 -11.501 0.021 4.623 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.385 -1.029 2.857 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.851 -3.026 2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.385 -2.653 4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.011 -2.230 3.821 1.00 0.00 H new ATOM 134 N TYR A 9 -10.636 -0.855 0.685 1.00 0.00 N ATOM 135 CA TYR A 9 -11.241 -0.494 -0.593 1.00 0.00 C ATOM 136 C TYR A 9 -11.248 -1.688 -1.542 1.00 0.00 C ATOM 137 O TYR A 9 -10.254 -2.407 -1.654 1.00 0.00 O ATOM 138 CB TYR A 9 -10.485 0.674 -1.231 1.00 0.00 C ATOM 139 CG TYR A 9 -11.252 1.356 -2.341 1.00 0.00 C ATOM 140 CD1 TYR A 9 -12.600 1.658 -2.197 1.00 0.00 C ATOM 141 CD2 TYR A 9 -10.628 1.699 -3.535 1.00 0.00 C ATOM 142 CE1 TYR A 9 -13.305 2.281 -3.208 1.00 0.00 C ATOM 143 CE2 TYR A 9 -11.327 2.323 -4.552 1.00 0.00 C ATOM 144 CZ TYR A 9 -12.664 2.612 -4.383 1.00 0.00 C ATOM 145 OH TYR A 9 -13.363 3.234 -5.393 1.00 0.00 O ATOM 0 H TYR A 9 -9.777 -1.399 0.605 1.00 0.00 H new ATOM 0 HA TYR A 9 -12.271 -0.190 -0.407 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -10.248 1.407 -0.460 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -9.537 0.310 -1.626 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -13.106 1.401 -1.278 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -9.580 1.474 -3.671 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -14.353 2.508 -3.079 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -10.828 2.583 -5.474 1.00 0.00 H new ATOM 0 HH TYR A 9 -12.765 3.399 -6.151 1.00 0.00 H new ATOM 155 N VAL A 10 -12.371 -1.898 -2.220 1.00 0.00 N ATOM 156 CA VAL A 10 -12.499 -3.008 -3.150 1.00 0.00 C ATOM 157 C VAL A 10 -12.041 -2.612 -4.551 1.00 0.00 C ATOM 158 O VAL A 10 -12.718 -1.852 -5.243 1.00 0.00 O ATOM 159 CB VAL A 10 -13.951 -3.519 -3.219 1.00 0.00 C ATOM 160 CG1 VAL A 10 -14.381 -4.080 -1.872 1.00 0.00 C ATOM 161 CG2 VAL A 10 -14.890 -2.408 -3.670 1.00 0.00 C ATOM 0 H VAL A 10 -13.203 -1.314 -2.142 1.00 0.00 H new ATOM 0 HA VAL A 10 -11.858 -3.807 -2.777 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.001 -4.322 -3.954 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -15.409 -4.437 -1.938 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -13.727 -4.907 -1.597 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -14.316 -3.299 -1.115 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -15.910 -2.789 -3.712 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.841 -1.580 -2.962 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -14.592 -2.059 -4.658 1.00 0.00 H new ATOM 171 N ALA A 11 -10.886 -3.139 -4.958 1.00 0.00 N ATOM 172 CA ALA A 11 -10.316 -2.855 -6.276 1.00 0.00 C ATOM 173 C ALA A 11 -8.834 -3.211 -6.308 1.00 0.00 C ATOM 174 O ALA A 11 -7.980 -2.367 -6.040 1.00 0.00 O ATOM 175 CB ALA A 11 -10.505 -1.391 -6.650 1.00 0.00 C ATOM 0 H ALA A 11 -10.322 -3.770 -4.389 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.844 -3.469 -7.005 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.072 -1.208 -7.634 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.569 -1.156 -6.672 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.009 -0.760 -5.912 1.00 0.00 H new ATOM 181 N GLU A 12 -8.532 -4.462 -6.644 1.00 0.00 N ATOM 182 CA GLU A 12 -7.148 -4.916 -6.713 1.00 0.00 C ATOM 183 C GLU A 12 -6.856 -5.589 -8.050 1.00 0.00 C ATOM 184 O GLU A 12 -7.420 -6.634 -8.373 1.00 0.00 O ATOM 185 CB GLU A 12 -6.840 -5.887 -5.567 1.00 0.00 C ATOM 186 CG GLU A 12 -8.044 -6.692 -5.098 1.00 0.00 C ATOM 187 CD GLU A 12 -7.699 -8.138 -4.803 1.00 0.00 C ATOM 188 OE1 GLU A 12 -6.502 -8.435 -4.604 1.00 0.00 O ATOM 189 OE2 GLU A 12 -8.625 -8.975 -4.771 1.00 0.00 O ATOM 0 H GLU A 12 -9.224 -5.176 -6.872 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.508 -4.039 -6.619 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.058 -6.575 -5.888 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.442 -5.323 -4.724 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.458 -6.231 -4.201 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.820 -6.656 -5.862 1.00 0.00 H new ATOM 196 N ARG A 13 -5.953 -4.985 -8.808 1.00 0.00 N ATOM 197 CA ARG A 13 -5.546 -5.506 -10.100 1.00 0.00 C ATOM 198 C ARG A 13 -4.167 -4.964 -10.451 1.00 0.00 C ATOM 199 O ARG A 13 -3.823 -3.848 -10.060 1.00 0.00 O ATOM 200 CB ARG A 13 -6.576 -5.128 -11.169 1.00 0.00 C ATOM 201 CG ARG A 13 -6.048 -5.163 -12.597 1.00 0.00 C ATOM 202 CD ARG A 13 -5.839 -3.762 -13.143 1.00 0.00 C ATOM 203 NE ARG A 13 -6.701 -3.490 -14.293 1.00 0.00 N ATOM 204 CZ ARG A 13 -6.294 -2.888 -15.411 1.00 0.00 C ATOM 205 NH1 ARG A 13 -5.038 -2.480 -15.542 1.00 0.00 N ATOM 206 NH2 ARG A 13 -7.151 -2.694 -16.403 1.00 0.00 N ATOM 0 H ARG A 13 -5.483 -4.120 -8.543 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.493 -6.594 -10.057 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.425 -5.807 -11.093 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.949 -4.126 -10.958 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.106 -5.711 -12.625 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.750 -5.703 -13.233 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.040 -3.033 -12.358 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.796 -3.638 -13.434 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.677 -3.780 -14.236 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.373 -2.626 -14.783 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.738 -2.021 -16.402 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.118 -3.005 -16.310 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.844 -2.234 -17.260 1.00 0.00 H new ATOM 220 N GLU A 14 -3.380 -5.730 -11.198 1.00 0.00 N ATOM 221 CA GLU A 14 -2.058 -5.263 -11.588 1.00 0.00 C ATOM 222 C GLU A 14 -2.186 -3.906 -12.270 1.00 0.00 C ATOM 223 O GLU A 14 -2.644 -3.825 -13.408 1.00 0.00 O ATOM 224 CB GLU A 14 -1.393 -6.267 -12.531 1.00 0.00 C ATOM 225 CG GLU A 14 -2.254 -6.635 -13.728 1.00 0.00 C ATOM 226 CD GLU A 14 -2.064 -8.077 -14.160 1.00 0.00 C ATOM 227 OE1 GLU A 14 -0.935 -8.434 -14.553 1.00 0.00 O ATOM 228 OE2 GLU A 14 -3.046 -8.846 -14.105 1.00 0.00 O ATOM 0 H GLU A 14 -3.629 -6.659 -11.539 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.435 -5.166 -10.699 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.450 -5.851 -12.886 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.152 -7.173 -11.974 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.303 -6.468 -13.482 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.013 -5.975 -14.561 1.00 0.00 H new ATOM 235 N ASP A 15 -1.789 -2.852 -11.548 1.00 0.00 N ATOM 236 CA ASP A 15 -1.855 -1.464 -12.031 1.00 0.00 C ATOM 237 C ASP A 15 -2.649 -0.599 -11.055 1.00 0.00 C ATOM 238 O ASP A 15 -2.375 0.591 -10.900 1.00 0.00 O ATOM 239 CB ASP A 15 -2.485 -1.362 -13.425 1.00 0.00 C ATOM 240 CG ASP A 15 -2.421 0.045 -13.985 1.00 0.00 C ATOM 241 OD1 ASP A 15 -1.301 0.525 -14.258 1.00 0.00 O ATOM 242 OD2 ASP A 15 -3.492 0.665 -14.150 1.00 0.00 O ATOM 0 H ASP A 15 -1.410 -2.937 -10.605 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.828 -1.104 -12.099 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.972 -2.044 -14.103 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.525 -1.684 -13.375 1.00 0.00 H new ATOM 247 N GLU A 16 -3.631 -1.208 -10.397 1.00 0.00 N ATOM 248 CA GLU A 16 -4.464 -0.499 -9.429 1.00 0.00 C ATOM 249 C GLU A 16 -4.135 -0.946 -8.008 1.00 0.00 C ATOM 250 O GLU A 16 -3.720 -2.083 -7.784 1.00 0.00 O ATOM 251 CB GLU A 16 -5.956 -0.710 -9.725 1.00 0.00 C ATOM 252 CG GLU A 16 -6.494 -2.058 -9.301 1.00 0.00 C ATOM 253 CD GLU A 16 -7.926 -2.273 -9.752 1.00 0.00 C ATOM 254 OE1 GLU A 16 -8.166 -2.285 -10.978 1.00 0.00 O ATOM 255 OE2 GLU A 16 -8.808 -2.426 -8.882 1.00 0.00 O ATOM 0 H GLU A 16 -3.870 -2.192 -10.516 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.248 0.566 -9.517 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.527 0.070 -9.222 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.122 -0.587 -10.795 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.863 -2.845 -9.714 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.440 -2.143 -8.216 1.00 0.00 H new ATOM 262 N LEU A 17 -4.309 -0.038 -7.054 1.00 0.00 N ATOM 263 CA LEU A 17 -4.014 -0.336 -5.656 1.00 0.00 C ATOM 264 C LEU A 17 -5.289 -0.484 -4.829 1.00 0.00 C ATOM 265 O LEU A 17 -6.187 0.356 -4.893 1.00 0.00 O ATOM 266 CB LEU A 17 -3.134 0.764 -5.060 1.00 0.00 C ATOM 267 CG LEU A 17 -3.678 2.189 -5.214 1.00 0.00 C ATOM 268 CD1 LEU A 17 -4.503 2.583 -3.996 1.00 0.00 C ATOM 269 CD2 LEU A 17 -2.537 3.173 -5.434 1.00 0.00 C ATOM 0 H LEU A 17 -4.652 0.908 -7.222 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.482 -1.287 -5.625 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.992 0.559 -3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.151 0.715 -5.528 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.329 2.217 -6.088 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.880 3.598 -4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.342 1.895 -3.887 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.879 2.538 -3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.940 4.180 -5.541 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.860 3.142 -4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.992 2.902 -6.338 1.00 0.00 H new ATOM 281 N SER A 18 -5.353 -1.557 -4.043 1.00 0.00 N ATOM 282 CA SER A 18 -6.501 -1.821 -3.190 1.00 0.00 C ATOM 283 C SER A 18 -6.154 -1.555 -1.728 1.00 0.00 C ATOM 284 O SER A 18 -5.018 -1.762 -1.305 1.00 0.00 O ATOM 285 CB SER A 18 -6.978 -3.264 -3.361 1.00 0.00 C ATOM 286 OG SER A 18 -6.091 -4.172 -2.733 1.00 0.00 O ATOM 0 H SER A 18 -4.616 -2.260 -3.982 1.00 0.00 H new ATOM 0 HA SER A 18 -7.307 -1.149 -3.487 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.976 -3.373 -2.936 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.055 -3.501 -4.422 1.00 0.00 H new ATOM 0 HG SER A 18 -6.532 -5.041 -2.629 1.00 0.00 H new ATOM 292 N LEU A 19 -7.136 -1.094 -0.960 1.00 0.00 N ATOM 293 CA LEU A 19 -6.921 -0.797 0.452 1.00 0.00 C ATOM 294 C LEU A 19 -7.328 -1.973 1.334 1.00 0.00 C ATOM 295 O LEU A 19 -8.228 -2.742 0.992 1.00 0.00 O ATOM 296 CB LEU A 19 -7.703 0.454 0.853 1.00 0.00 C ATOM 297 CG LEU A 19 -7.106 1.777 0.370 1.00 0.00 C ATOM 298 CD1 LEU A 19 -5.825 2.090 1.127 1.00 0.00 C ATOM 299 CD2 LEU A 19 -6.844 1.730 -1.128 1.00 0.00 C ATOM 0 H LEU A 19 -8.085 -0.918 -1.290 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.856 -0.617 0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.718 0.369 0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.779 0.483 1.940 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.825 2.572 0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.413 3.034 0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.042 2.167 2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.100 1.293 0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.419 2.680 -1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.144 0.925 -1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.781 1.552 -1.656 1.00 0.00 H new ATOM 311 N VAL A 20 -6.652 -2.106 2.470 1.00 0.00 N ATOM 312 CA VAL A 20 -6.926 -3.188 3.412 1.00 0.00 C ATOM 313 C VAL A 20 -7.894 -2.739 4.502 1.00 0.00 C ATOM 314 O VAL A 20 -8.121 -1.544 4.692 1.00 0.00 O ATOM 315 CB VAL A 20 -5.635 -3.702 4.084 1.00 0.00 C ATOM 316 CG1 VAL A 20 -5.818 -5.133 4.561 1.00 0.00 C ATOM 317 CG2 VAL A 20 -4.449 -3.597 3.136 1.00 0.00 C ATOM 0 H VAL A 20 -5.906 -1.475 2.763 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.373 -3.995 2.832 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.428 -3.074 4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.898 -5.480 5.032 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.634 -5.174 5.283 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.053 -5.773 3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.552 -3.965 3.633 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.641 -4.195 2.245 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.303 -2.555 2.850 1.00 0.00 H new ATOM 327 N LYS A 21 -8.457 -3.706 5.220 1.00 0.00 N ATOM 328 CA LYS A 21 -9.397 -3.413 6.294 1.00 0.00 C ATOM 329 C LYS A 21 -8.671 -2.845 7.509 1.00 0.00 C ATOM 330 O LYS A 21 -9.037 -1.791 8.028 1.00 0.00 O ATOM 331 CB LYS A 21 -10.166 -4.675 6.688 1.00 0.00 C ATOM 332 CG LYS A 21 -11.168 -5.128 5.637 1.00 0.00 C ATOM 333 CD LYS A 21 -10.863 -6.532 5.136 1.00 0.00 C ATOM 334 CE LYS A 21 -10.969 -6.619 3.623 1.00 0.00 C ATOM 335 NZ LYS A 21 -11.247 -8.007 3.162 1.00 0.00 N ATOM 0 H LYS A 21 -8.278 -4.700 5.076 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.103 -2.666 5.932 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.456 -5.481 6.873 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.692 -4.493 7.625 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.173 -5.102 6.058 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.155 -4.432 4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.860 -6.821 5.449 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.555 -7.240 5.592 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.762 -5.956 3.277 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.040 -6.267 3.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.312 -8.022 2.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.478 -8.636 3.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.146 -8.335 3.569 1.00 0.00 H new ATOM 349 N GLY A 22 -7.639 -3.552 7.958 1.00 0.00 N ATOM 350 CA GLY A 22 -6.878 -3.102 9.107 1.00 0.00 C ATOM 351 C GLY A 22 -5.599 -3.890 9.309 1.00 0.00 C ATOM 352 O GLY A 22 -5.108 -4.010 10.432 1.00 0.00 O ATOM 0 H GLY A 22 -7.317 -4.428 7.546 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.634 -2.047 8.985 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.496 -3.185 10.001 1.00 0.00 H new ATOM 356 N SER A 23 -5.061 -4.427 8.223 1.00 0.00 N ATOM 357 CA SER A 23 -3.834 -5.205 8.282 1.00 0.00 C ATOM 358 C SER A 23 -2.621 -4.341 7.956 1.00 0.00 C ATOM 359 O SER A 23 -2.758 -3.192 7.536 1.00 0.00 O ATOM 360 CB SER A 23 -3.909 -6.391 7.320 1.00 0.00 C ATOM 361 OG SER A 23 -3.833 -7.620 8.021 1.00 0.00 O ATOM 0 H SER A 23 -5.458 -4.337 7.288 1.00 0.00 H new ATOM 0 HA SER A 23 -3.722 -5.580 9.299 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.840 -6.347 6.756 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.095 -6.330 6.597 1.00 0.00 H new ATOM 0 HG SER A 23 -3.885 -8.363 7.385 1.00 0.00 H new ATOM 367 N ARG A 24 -1.432 -4.901 8.152 1.00 0.00 N ATOM 368 CA ARG A 24 -0.193 -4.185 7.878 1.00 0.00 C ATOM 369 C ARG A 24 0.410 -4.620 6.546 1.00 0.00 C ATOM 370 O ARG A 24 0.243 -5.762 6.121 1.00 0.00 O ATOM 371 CB ARG A 24 0.806 -4.398 9.008 1.00 0.00 C ATOM 372 CG ARG A 24 0.333 -3.858 10.347 1.00 0.00 C ATOM 373 CD ARG A 24 1.117 -2.622 10.760 1.00 0.00 C ATOM 374 NE ARG A 24 1.000 -2.352 12.190 1.00 0.00 N ATOM 375 CZ ARG A 24 1.532 -3.123 13.136 1.00 0.00 C ATOM 376 NH1 ARG A 24 2.218 -4.210 12.807 1.00 0.00 N ATOM 377 NH2 ARG A 24 1.377 -2.805 14.415 1.00 0.00 N ATOM 0 H ARG A 24 -1.301 -5.851 8.500 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.426 -3.122 7.812 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.008 -5.464 9.107 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.748 -3.918 8.744 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.728 -3.614 10.287 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.440 -4.629 11.110 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.167 -2.756 10.501 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.757 -1.760 10.198 1.00 0.00 H new ATOM 0 HE ARG A 24 0.480 -1.524 12.481 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.340 -4.458 11.825 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.624 -4.797 13.536 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.850 -1.970 14.673 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.784 -3.395 15.140 1.00 0.00 H new ATOM 391 N VAL A 25 1.093 -3.693 5.886 1.00 0.00 N ATOM 392 CA VAL A 25 1.710 -3.959 4.590 1.00 0.00 C ATOM 393 C VAL A 25 3.202 -3.633 4.614 1.00 0.00 C ATOM 394 O VAL A 25 3.681 -2.961 5.526 1.00 0.00 O ATOM 395 CB VAL A 25 1.029 -3.129 3.487 1.00 0.00 C ATOM 396 CG1 VAL A 25 1.549 -3.513 2.112 1.00 0.00 C ATOM 397 CG2 VAL A 25 -0.480 -3.291 3.561 1.00 0.00 C ATOM 0 H VAL A 25 1.235 -2.743 6.229 1.00 0.00 H new ATOM 0 HA VAL A 25 1.583 -5.021 4.378 1.00 0.00 H new ATOM 0 HB VAL A 25 1.273 -2.079 3.650 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.050 -2.910 1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.624 -3.336 2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.347 -4.568 1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.949 -2.698 2.775 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.740 -4.341 3.428 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.835 -2.950 4.533 1.00 0.00 H new ATOM 407 N THR A 26 3.936 -4.107 3.610 1.00 0.00 N ATOM 408 CA THR A 26 5.371 -3.850 3.533 1.00 0.00 C ATOM 409 C THR A 26 5.627 -2.463 2.950 1.00 0.00 C ATOM 410 O THR A 26 4.941 -2.036 2.021 1.00 0.00 O ATOM 411 CB THR A 26 6.086 -4.917 2.702 1.00 0.00 C ATOM 412 OG1 THR A 26 6.073 -4.570 1.336 1.00 0.00 O ATOM 413 CG2 THR A 26 5.485 -6.303 2.834 1.00 0.00 C ATOM 0 H THR A 26 3.564 -4.667 2.843 1.00 0.00 H new ATOM 0 HA THR A 26 5.774 -3.891 4.545 1.00 0.00 H new ATOM 0 HB THR A 26 7.102 -4.952 3.096 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.287 -4.016 1.147 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.046 -7.003 2.216 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.530 -6.622 3.875 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.446 -6.282 2.506 1.00 0.00 H new ATOM 421 N VAL A 27 6.597 -1.748 3.517 1.00 0.00 N ATOM 422 CA VAL A 27 6.908 -0.395 3.066 1.00 0.00 C ATOM 423 C VAL A 27 7.197 -0.365 1.568 1.00 0.00 C ATOM 424 O VAL A 27 8.125 -1.012 1.081 1.00 0.00 O ATOM 425 CB VAL A 27 8.118 0.183 3.828 1.00 0.00 C ATOM 426 CG1 VAL A 27 9.360 -0.664 3.589 1.00 0.00 C ATOM 427 CG2 VAL A 27 8.366 1.630 3.425 1.00 0.00 C ATOM 0 H VAL A 27 7.178 -2.082 4.286 1.00 0.00 H new ATOM 0 HA VAL A 27 6.031 0.219 3.272 1.00 0.00 H new ATOM 0 HB VAL A 27 7.892 0.161 4.894 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.201 -0.238 4.136 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.179 -1.681 3.936 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.590 -0.680 2.524 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.224 2.019 3.974 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.567 1.680 2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.485 2.228 3.657 1.00 0.00 H new ATOM 437 N MET A 28 6.366 0.384 0.849 1.00 0.00 N ATOM 438 CA MET A 28 6.476 0.513 -0.599 1.00 0.00 C ATOM 439 C MET A 28 7.816 1.105 -1.024 1.00 0.00 C ATOM 440 O MET A 28 8.701 1.333 -0.200 1.00 0.00 O ATOM 441 CB MET A 28 5.331 1.371 -1.137 1.00 0.00 C ATOM 442 CG MET A 28 3.976 1.006 -0.547 1.00 0.00 C ATOM 443 SD MET A 28 3.309 2.297 0.523 1.00 0.00 S ATOM 444 CE MET A 28 3.367 1.478 2.115 1.00 0.00 C ATOM 0 H MET A 28 5.598 0.918 1.255 1.00 0.00 H new ATOM 0 HA MET A 28 6.413 -0.490 -1.021 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.541 2.419 -0.925 1.00 0.00 H new ATOM 0 HB3 MET A 28 5.287 1.268 -2.221 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.273 0.812 -1.357 1.00 0.00 H new ATOM 0 HG3 MET A 28 4.070 0.081 0.022 1.00 0.00 H new ATOM 0 HE1 MET A 28 2.575 1.868 2.754 1.00 0.00 H new ATOM 0 HE2 MET A 28 3.227 0.406 1.978 1.00 0.00 H new ATOM 0 HE3 MET A 28 4.334 1.661 2.583 1.00 0.00 H new ATOM 454 N GLU A 29 7.952 1.332 -2.327 1.00 0.00 N ATOM 455 CA GLU A 29 9.168 1.876 -2.902 1.00 0.00 C ATOM 456 C GLU A 29 9.069 3.387 -3.068 1.00 0.00 C ATOM 457 O GLU A 29 7.977 3.954 -3.062 1.00 0.00 O ATOM 458 CB GLU A 29 9.441 1.236 -4.265 1.00 0.00 C ATOM 459 CG GLU A 29 8.770 -0.112 -4.482 1.00 0.00 C ATOM 460 CD GLU A 29 9.764 -1.226 -4.749 1.00 0.00 C ATOM 461 OE1 GLU A 29 10.854 -1.207 -4.139 1.00 0.00 O ATOM 462 OE2 GLU A 29 9.452 -2.116 -5.567 1.00 0.00 O ATOM 0 H GLU A 29 7.219 1.142 -3.011 1.00 0.00 H new ATOM 0 HA GLU A 29 9.988 1.651 -2.220 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.110 1.921 -5.045 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.518 1.114 -4.384 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.177 -0.363 -3.603 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.079 -0.038 -5.322 1.00 0.00 H new ATOM 469 N LYS A 30 10.220 4.031 -3.225 1.00 0.00 N ATOM 470 CA LYS A 30 10.272 5.470 -3.402 1.00 0.00 C ATOM 471 C LYS A 30 11.056 5.835 -4.660 1.00 0.00 C ATOM 472 O LYS A 30 12.287 5.859 -4.659 1.00 0.00 O ATOM 473 CB LYS A 30 10.891 6.139 -2.174 1.00 0.00 C ATOM 474 CG LYS A 30 11.267 7.595 -2.397 1.00 0.00 C ATOM 475 CD LYS A 30 10.137 8.379 -3.045 1.00 0.00 C ATOM 476 CE LYS A 30 10.541 9.820 -3.314 1.00 0.00 C ATOM 477 NZ LYS A 30 11.867 9.911 -3.984 1.00 0.00 N ATOM 0 H LYS A 30 11.131 3.573 -3.233 1.00 0.00 H new ATOM 0 HA LYS A 30 9.251 5.835 -3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.187 6.078 -1.344 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.781 5.584 -1.879 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.526 8.053 -1.443 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.154 7.648 -3.028 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.850 7.900 -3.981 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.261 8.361 -2.396 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.786 10.298 -3.938 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.572 10.370 -2.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.993 10.866 -4.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.619 9.718 -3.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.916 9.213 -4.753 1.00 0.00 H new ATOM 491 N CYS A 31 10.324 6.121 -5.728 1.00 0.00 N ATOM 492 CA CYS A 31 10.921 6.494 -7.004 1.00 0.00 C ATOM 493 C CYS A 31 10.728 7.982 -7.275 1.00 0.00 C ATOM 494 O CYS A 31 9.825 8.609 -6.722 1.00 0.00 O ATOM 495 CB CYS A 31 10.303 5.674 -8.138 1.00 0.00 C ATOM 496 SG CYS A 31 11.478 5.187 -9.422 1.00 0.00 S ATOM 0 H CYS A 31 9.304 6.101 -5.735 1.00 0.00 H new ATOM 0 HA CYS A 31 11.990 6.285 -6.955 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.849 4.777 -7.717 1.00 0.00 H new ATOM 0 HB3 CYS A 31 9.501 6.253 -8.595 1.00 0.00 H new ATOM 0 HG CYS A 31 10.918 4.326 -10.219 1.00 0.00 H new ATOM 502 N SER A 32 11.574 8.540 -8.131 1.00 0.00 N ATOM 503 CA SER A 32 11.486 9.955 -8.475 1.00 0.00 C ATOM 504 C SER A 32 10.130 10.282 -9.097 1.00 0.00 C ATOM 505 O SER A 32 9.660 11.416 -9.019 1.00 0.00 O ATOM 506 CB SER A 32 12.609 10.340 -9.439 1.00 0.00 C ATOM 507 OG SER A 32 12.831 11.740 -9.430 1.00 0.00 O ATOM 0 H SER A 32 12.328 8.037 -8.599 1.00 0.00 H new ATOM 0 HA SER A 32 11.593 10.532 -7.557 1.00 0.00 H new ATOM 0 HB2 SER A 32 13.526 9.821 -9.160 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.354 10.015 -10.448 1.00 0.00 H new ATOM 0 HG SER A 32 13.555 11.960 -10.053 1.00 0.00 H new ATOM 513 N ASP A 33 9.506 9.283 -9.716 1.00 0.00 N ATOM 514 CA ASP A 33 8.205 9.472 -10.349 1.00 0.00 C ATOM 515 C ASP A 33 7.075 9.314 -9.334 1.00 0.00 C ATOM 516 O ASP A 33 7.295 8.875 -8.206 1.00 0.00 O ATOM 517 CB ASP A 33 8.023 8.477 -11.497 1.00 0.00 C ATOM 518 CG ASP A 33 8.283 9.105 -12.853 1.00 0.00 C ATOM 519 OD1 ASP A 33 7.373 9.778 -13.379 1.00 0.00 O ATOM 520 OD2 ASP A 33 9.397 8.923 -13.388 1.00 0.00 O ATOM 0 H ASP A 33 9.880 8.337 -9.792 1.00 0.00 H new ATOM 0 HA ASP A 33 8.167 10.485 -10.748 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.699 7.634 -11.354 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.008 8.079 -11.472 1.00 0.00 H new ATOM 525 N GLY A 34 5.865 9.683 -9.745 1.00 0.00 N ATOM 526 CA GLY A 34 4.717 9.587 -8.866 1.00 0.00 C ATOM 527 C GLY A 34 4.233 8.161 -8.665 1.00 0.00 C ATOM 528 O GLY A 34 3.357 7.913 -7.836 1.00 0.00 O ATOM 0 H GLY A 34 5.661 10.048 -10.675 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.973 10.017 -7.897 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.903 10.185 -9.276 1.00 0.00 H new ATOM 532 N TRP A 35 4.797 7.220 -9.418 1.00 0.00 N ATOM 533 CA TRP A 35 4.403 5.819 -9.303 1.00 0.00 C ATOM 534 C TRP A 35 5.196 5.118 -8.202 1.00 0.00 C ATOM 535 O TRP A 35 6.417 5.252 -8.123 1.00 0.00 O ATOM 536 CB TRP A 35 4.594 5.098 -10.644 1.00 0.00 C ATOM 537 CG TRP A 35 6.002 4.648 -10.899 1.00 0.00 C ATOM 538 CD1 TRP A 35 7.139 5.391 -10.758 1.00 0.00 C ATOM 539 CD2 TRP A 35 6.422 3.351 -11.339 1.00 0.00 C ATOM 540 NE1 TRP A 35 8.240 4.635 -11.084 1.00 0.00 N ATOM 541 CE2 TRP A 35 7.825 3.379 -11.443 1.00 0.00 C ATOM 542 CE3 TRP A 35 5.747 2.169 -11.654 1.00 0.00 C ATOM 543 CZ2 TRP A 35 8.564 2.271 -11.848 1.00 0.00 C ATOM 544 CZ3 TRP A 35 6.481 1.069 -12.057 1.00 0.00 C ATOM 545 CH2 TRP A 35 7.878 1.127 -12.151 1.00 0.00 C ATOM 0 H TRP A 35 5.524 7.401 -10.110 1.00 0.00 H new ATOM 0 HA TRP A 35 3.347 5.783 -9.035 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.935 4.231 -10.676 1.00 0.00 H new ATOM 0 HB3 TRP A 35 4.284 5.763 -11.450 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.169 6.422 -10.437 1.00 0.00 H new ATOM 0 HE1 TRP A 35 9.208 4.956 -11.062 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.671 2.116 -11.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 9.641 2.313 -11.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 5.970 0.150 -12.303 1.00 0.00 H new ATOM 0 HH2 TRP A 35 8.424 0.251 -12.469 1.00 0.00 H new ATOM 556 N TRP A 36 4.494 4.372 -7.354 1.00 0.00 N ATOM 557 CA TRP A 36 5.135 3.654 -6.263 1.00 0.00 C ATOM 558 C TRP A 36 4.510 2.284 -6.059 1.00 0.00 C ATOM 559 O TRP A 36 3.301 2.162 -5.874 1.00 0.00 O ATOM 560 CB TRP A 36 5.036 4.451 -4.963 1.00 0.00 C ATOM 561 CG TRP A 36 5.733 5.771 -5.023 1.00 0.00 C ATOM 562 CD1 TRP A 36 7.076 5.980 -5.002 1.00 0.00 C ATOM 563 CD2 TRP A 36 5.124 7.065 -5.113 1.00 0.00 C ATOM 564 NE1 TRP A 36 7.347 7.326 -5.074 1.00 0.00 N ATOM 565 CE2 TRP A 36 6.164 8.013 -5.142 1.00 0.00 C ATOM 566 CE3 TRP A 36 3.803 7.512 -5.171 1.00 0.00 C ATOM 567 CZ2 TRP A 36 5.922 9.381 -5.227 1.00 0.00 C ATOM 568 CZ3 TRP A 36 3.563 8.872 -5.257 1.00 0.00 C ATOM 569 CH2 TRP A 36 4.618 9.791 -5.284 1.00 0.00 C ATOM 0 H TRP A 36 3.482 4.251 -7.403 1.00 0.00 H new ATOM 0 HA TRP A 36 6.183 3.524 -6.532 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.985 4.614 -4.724 1.00 0.00 H new ATOM 0 HB3 TRP A 36 5.460 3.861 -4.150 1.00 0.00 H new ATOM 0 HD1 TRP A 36 7.822 5.202 -4.938 1.00 0.00 H new ATOM 0 HE1 TRP A 36 8.277 7.745 -5.076 1.00 0.00 H new ATOM 0 HE3 TRP A 36 2.983 6.809 -5.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 6.734 10.093 -5.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 2.545 9.230 -5.304 1.00 0.00 H new ATOM 0 HH2 TRP A 36 4.398 10.846 -5.351 1.00 0.00 H new ATOM 580 N ARG A 37 5.344 1.255 -6.072 1.00 0.00 N ATOM 581 CA ARG A 37 4.870 -0.102 -5.865 1.00 0.00 C ATOM 582 C ARG A 37 5.138 -0.536 -4.431 1.00 0.00 C ATOM 583 O ARG A 37 6.099 -0.088 -3.810 1.00 0.00 O ATOM 584 CB ARG A 37 5.531 -1.063 -6.854 1.00 0.00 C ATOM 585 CG ARG A 37 4.528 -1.872 -7.663 1.00 0.00 C ATOM 586 CD ARG A 37 4.943 -3.330 -7.797 1.00 0.00 C ATOM 587 NE ARG A 37 5.493 -3.867 -6.553 1.00 0.00 N ATOM 588 CZ ARG A 37 6.302 -4.922 -6.494 1.00 0.00 C ATOM 589 NH1 ARG A 37 6.650 -5.565 -7.602 1.00 0.00 N ATOM 590 NH2 ARG A 37 6.763 -5.338 -5.323 1.00 0.00 N ATOM 0 H ARG A 37 6.350 1.335 -6.223 1.00 0.00 H new ATOM 0 HA ARG A 37 3.795 -0.126 -6.041 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.164 -0.495 -7.535 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.183 -1.745 -6.308 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.549 -1.817 -7.186 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.424 -1.432 -8.655 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.080 -3.925 -8.097 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.685 -3.423 -8.590 1.00 0.00 H new ATOM 0 HE ARG A 37 5.242 -3.406 -5.679 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.297 -5.251 -8.506 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.270 -6.373 -7.549 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.498 -4.850 -4.468 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.383 -6.147 -5.277 1.00 0.00 H new ATOM 604 N GLY A 38 4.277 -1.394 -3.905 1.00 0.00 N ATOM 605 CA GLY A 38 4.441 -1.856 -2.542 1.00 0.00 C ATOM 606 C GLY A 38 4.273 -3.352 -2.405 1.00 0.00 C ATOM 607 O GLY A 38 3.654 -3.995 -3.253 1.00 0.00 O ATOM 0 H GLY A 38 3.470 -1.778 -4.396 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.431 -1.572 -2.184 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.715 -1.354 -1.903 1.00 0.00 H new ATOM 611 N SER A 39 4.825 -3.906 -1.333 1.00 0.00 N ATOM 612 CA SER A 39 4.734 -5.334 -1.083 1.00 0.00 C ATOM 613 C SER A 39 3.843 -5.616 0.120 1.00 0.00 C ATOM 614 O SER A 39 3.700 -4.786 1.016 1.00 0.00 O ATOM 615 CB SER A 39 6.129 -5.931 -0.864 1.00 0.00 C ATOM 616 OG SER A 39 7.125 -4.924 -0.882 1.00 0.00 O ATOM 0 H SER A 39 5.341 -3.385 -0.623 1.00 0.00 H new ATOM 0 HA SER A 39 4.287 -5.805 -1.959 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.157 -6.457 0.090 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.338 -6.667 -1.640 1.00 0.00 H new ATOM 0 HG SER A 39 7.092 -4.416 -0.045 1.00 0.00 H new ATOM 622 N TYR A 40 3.249 -6.797 0.124 1.00 0.00 N ATOM 623 CA TYR A 40 2.367 -7.219 1.200 1.00 0.00 C ATOM 624 C TYR A 40 2.882 -8.518 1.806 1.00 0.00 C ATOM 625 O TYR A 40 3.414 -9.369 1.093 1.00 0.00 O ATOM 626 CB TYR A 40 0.959 -7.453 0.656 1.00 0.00 C ATOM 627 CG TYR A 40 0.037 -6.257 0.702 1.00 0.00 C ATOM 628 CD1 TYR A 40 0.214 -5.178 -0.154 1.00 0.00 C ATOM 629 CD2 TYR A 40 -1.034 -6.225 1.585 1.00 0.00 C ATOM 630 CE1 TYR A 40 -0.649 -4.097 -0.126 1.00 0.00 C ATOM 631 CE2 TYR A 40 -1.902 -5.153 1.616 1.00 0.00 C ATOM 632 CZ TYR A 40 -1.706 -4.092 0.761 1.00 0.00 C ATOM 633 OH TYR A 40 -2.570 -3.021 0.790 1.00 0.00 O ATOM 0 H TYR A 40 3.364 -7.489 -0.616 1.00 0.00 H new ATOM 0 HA TYR A 40 2.342 -6.439 1.961 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.039 -7.789 -0.378 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.501 -8.265 1.220 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.038 -5.183 -0.852 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -1.190 -7.054 2.259 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.496 -3.262 -0.794 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.731 -5.146 2.308 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.478 -3.328 0.585 1.00 0.00 H new ATOM 643 N ASN A 41 2.717 -8.684 3.112 1.00 0.00 N ATOM 644 CA ASN A 41 3.164 -9.906 3.768 1.00 0.00 C ATOM 645 C ASN A 41 2.393 -11.101 3.216 1.00 0.00 C ATOM 646 O ASN A 41 1.368 -11.502 3.767 1.00 0.00 O ATOM 647 CB ASN A 41 2.976 -9.814 5.285 1.00 0.00 C ATOM 648 CG ASN A 41 1.659 -9.170 5.674 1.00 0.00 C ATOM 649 OD1 ASN A 41 0.633 -9.840 5.781 1.00 0.00 O ATOM 650 ND2 ASN A 41 1.685 -7.859 5.886 1.00 0.00 N ATOM 0 H ASN A 41 2.283 -7.999 3.731 1.00 0.00 H new ATOM 0 HA ASN A 41 4.227 -10.037 3.565 1.00 0.00 H new ATOM 0 HB2 ASN A 41 3.027 -10.814 5.715 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.797 -9.240 5.715 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.831 -7.368 6.149 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.559 -7.343 5.786 1.00 0.00 H new ATOM 657 N GLY A 42 2.890 -11.657 2.113 1.00 0.00 N ATOM 658 CA GLY A 42 2.238 -12.787 1.490 1.00 0.00 C ATOM 659 C GLY A 42 1.921 -12.542 0.023 1.00 0.00 C ATOM 660 O GLY A 42 1.630 -13.481 -0.718 1.00 0.00 O ATOM 0 H GLY A 42 3.737 -11.340 1.641 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.878 -13.665 1.578 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.315 -13.010 2.025 1.00 0.00 H new ATOM 664 N GLN A 43 1.977 -11.280 -0.398 1.00 0.00 N ATOM 665 CA GLN A 43 1.696 -10.919 -1.783 1.00 0.00 C ATOM 666 C GLN A 43 2.304 -9.561 -2.129 1.00 0.00 C ATOM 667 O GLN A 43 2.859 -8.884 -1.267 1.00 0.00 O ATOM 668 CB GLN A 43 0.187 -10.893 -2.036 1.00 0.00 C ATOM 669 CG GLN A 43 -0.613 -10.286 -0.895 1.00 0.00 C ATOM 670 CD GLN A 43 -2.106 -10.332 -1.143 1.00 0.00 C ATOM 671 OE1 GLN A 43 -2.661 -9.477 -1.832 1.00 0.00 O ATOM 672 NE2 GLN A 43 -2.763 -11.336 -0.579 1.00 0.00 N ATOM 0 H GLN A 43 2.215 -10.490 0.202 1.00 0.00 H new ATOM 0 HA GLN A 43 2.150 -11.675 -2.423 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.010 -10.328 -2.947 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.161 -11.911 -2.211 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.385 -10.819 0.028 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.304 -9.251 -0.750 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.260 -12.022 -0.016 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.771 -11.423 -0.709 1.00 0.00 H new ATOM 681 N ILE A 44 2.204 -9.173 -3.399 1.00 0.00 N ATOM 682 CA ILE A 44 2.754 -7.903 -3.858 1.00 0.00 C ATOM 683 C ILE A 44 1.788 -7.182 -4.797 1.00 0.00 C ATOM 684 O ILE A 44 0.929 -7.805 -5.422 1.00 0.00 O ATOM 685 CB ILE A 44 4.116 -8.121 -4.557 1.00 0.00 C ATOM 686 CG1 ILE A 44 5.222 -8.150 -3.510 1.00 0.00 C ATOM 687 CG2 ILE A 44 4.401 -7.040 -5.596 1.00 0.00 C ATOM 688 CD1 ILE A 44 5.257 -9.426 -2.698 1.00 0.00 C ATOM 0 H ILE A 44 1.747 -9.721 -4.127 1.00 0.00 H new ATOM 0 HA ILE A 44 2.904 -7.273 -2.981 1.00 0.00 H new ATOM 0 HB ILE A 44 4.079 -9.075 -5.084 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.184 -8.019 -4.006 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.094 -7.304 -2.835 1.00 0.00 H new ATOM 0 HG21 ILE A 44 5.367 -7.230 -6.063 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.621 -7.052 -6.357 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.419 -6.064 -5.110 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.070 -9.374 -1.973 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.310 -9.549 -2.173 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.417 -10.276 -3.362 1.00 0.00 H new ATOM 700 N GLY A 45 1.943 -5.863 -4.893 1.00 0.00 N ATOM 701 CA GLY A 45 1.085 -5.073 -5.759 1.00 0.00 C ATOM 702 C GLY A 45 1.482 -3.608 -5.802 1.00 0.00 C ATOM 703 O GLY A 45 2.663 -3.273 -5.718 1.00 0.00 O ATOM 0 H GLY A 45 2.648 -5.328 -4.386 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.118 -5.484 -6.768 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.054 -5.156 -5.415 1.00 0.00 H new ATOM 707 N TRP A 46 0.487 -2.733 -5.935 1.00 0.00 N ATOM 708 CA TRP A 46 0.728 -1.295 -5.994 1.00 0.00 C ATOM 709 C TRP A 46 0.473 -0.643 -4.639 1.00 0.00 C ATOM 710 O TRP A 46 -0.389 -1.083 -3.877 1.00 0.00 O ATOM 711 CB TRP A 46 -0.147 -0.642 -7.068 1.00 0.00 C ATOM 712 CG TRP A 46 0.418 0.647 -7.582 1.00 0.00 C ATOM 713 CD1 TRP A 46 1.740 0.960 -7.724 1.00 0.00 C ATOM 714 CD2 TRP A 46 -0.317 1.796 -8.018 1.00 0.00 C ATOM 715 NE1 TRP A 46 1.872 2.236 -8.216 1.00 0.00 N ATOM 716 CE2 TRP A 46 0.624 2.769 -8.407 1.00 0.00 C ATOM 717 CE3 TRP A 46 -1.677 2.097 -8.118 1.00 0.00 C ATOM 718 CZ2 TRP A 46 0.245 4.020 -8.889 1.00 0.00 C ATOM 719 CZ3 TRP A 46 -2.051 3.339 -8.596 1.00 0.00 C ATOM 720 CH2 TRP A 46 -1.093 4.287 -8.976 1.00 0.00 C ATOM 0 H TRP A 46 -0.496 -2.997 -6.004 1.00 0.00 H new ATOM 0 HA TRP A 46 1.775 -1.143 -6.258 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.269 -1.336 -7.900 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.140 -0.459 -6.657 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.561 0.301 -7.485 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.755 2.709 -8.408 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -2.423 1.372 -7.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 0.982 4.753 -9.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.100 3.582 -8.678 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -1.418 5.249 -9.345 1.00 0.00 H new ATOM 731 N PHE A 47 1.247 0.394 -4.334 1.00 0.00 N ATOM 732 CA PHE A 47 1.132 1.097 -3.060 1.00 0.00 C ATOM 733 C PHE A 47 -0.291 1.608 -2.810 1.00 0.00 C ATOM 734 O PHE A 47 -0.774 2.500 -3.503 1.00 0.00 O ATOM 735 CB PHE A 47 2.134 2.261 -3.005 1.00 0.00 C ATOM 736 CG PHE A 47 1.640 3.542 -3.625 1.00 0.00 C ATOM 737 CD1 PHE A 47 1.189 3.570 -4.937 1.00 0.00 C ATOM 738 CD2 PHE A 47 1.627 4.717 -2.891 1.00 0.00 C ATOM 739 CE1 PHE A 47 0.734 4.747 -5.501 1.00 0.00 C ATOM 740 CE2 PHE A 47 1.173 5.896 -3.451 1.00 0.00 C ATOM 741 CZ PHE A 47 0.726 5.910 -4.758 1.00 0.00 C ATOM 0 H PHE A 47 1.964 0.768 -4.955 1.00 0.00 H new ATOM 0 HA PHE A 47 1.364 0.383 -2.270 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.392 2.452 -1.963 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.051 1.958 -3.510 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.194 2.663 -5.523 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.976 4.711 -1.869 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.385 4.757 -6.523 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.168 6.805 -2.868 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.371 6.830 -5.198 1.00 0.00 H new ATOM 751 N PRO A 48 -0.982 1.053 -1.799 1.00 0.00 N ATOM 752 CA PRO A 48 -2.332 1.457 -1.445 1.00 0.00 C ATOM 753 C PRO A 48 -2.333 2.506 -0.338 1.00 0.00 C ATOM 754 O PRO A 48 -3.193 2.499 0.544 1.00 0.00 O ATOM 755 CB PRO A 48 -2.939 0.148 -0.948 1.00 0.00 C ATOM 756 CG PRO A 48 -1.788 -0.645 -0.400 1.00 0.00 C ATOM 757 CD PRO A 48 -0.510 -0.013 -0.906 1.00 0.00 C ATOM 0 HA PRO A 48 -2.875 1.915 -2.272 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.691 0.331 -0.180 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.434 -0.387 -1.758 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.809 -0.646 0.690 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.853 -1.685 -0.721 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.091 0.385 -0.089 1.00 0.00 H new ATOM 0 HD3 PRO A 48 0.111 -0.735 -1.436 1.00 0.00 H new ATOM 765 N SER A 49 -1.351 3.401 -0.391 1.00 0.00 N ATOM 766 CA SER A 49 -1.200 4.458 0.604 1.00 0.00 C ATOM 767 C SER A 49 -2.470 5.290 0.789 1.00 0.00 C ATOM 768 O SER A 49 -2.547 6.094 1.725 1.00 0.00 O ATOM 769 CB SER A 49 -0.035 5.372 0.224 1.00 0.00 C ATOM 770 OG SER A 49 0.991 5.323 1.200 1.00 0.00 O ATOM 0 H SER A 49 -0.640 3.414 -1.122 1.00 0.00 H new ATOM 0 HA SER A 49 -0.998 3.967 1.556 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.365 5.072 -0.744 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.392 6.396 0.118 1.00 0.00 H new ATOM 0 HG SER A 49 1.725 5.915 0.933 1.00 0.00 H new ATOM 776 N ASN A 50 -3.467 5.099 -0.086 1.00 0.00 N ATOM 777 CA ASN A 50 -4.715 5.849 -0.003 1.00 0.00 C ATOM 778 C ASN A 50 -5.188 5.963 1.440 1.00 0.00 C ATOM 779 O ASN A 50 -5.791 6.964 1.828 1.00 0.00 O ATOM 780 CB ASN A 50 -5.772 5.166 -0.858 1.00 0.00 C ATOM 781 CG ASN A 50 -5.891 5.787 -2.230 1.00 0.00 C ATOM 782 OD1 ASN A 50 -4.933 6.356 -2.754 1.00 0.00 O ATOM 783 ND2 ASN A 50 -7.071 5.684 -2.819 1.00 0.00 N ATOM 0 H ASN A 50 -3.428 4.431 -0.856 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.545 6.859 -0.377 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.526 4.109 -0.960 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.736 5.221 -0.352 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.215 6.085 -3.746 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.837 5.203 -2.347 1.00 0.00 H new ATOM 790 N TYR A 51 -4.863 4.959 2.242 1.00 0.00 N ATOM 791 CA TYR A 51 -5.203 4.977 3.654 1.00 0.00 C ATOM 792 C TYR A 51 -4.282 4.038 4.416 1.00 0.00 C ATOM 793 O TYR A 51 -4.720 3.039 4.987 1.00 0.00 O ATOM 794 CB TYR A 51 -6.663 4.566 3.861 1.00 0.00 C ATOM 795 CG TYR A 51 -7.654 5.481 3.176 1.00 0.00 C ATOM 796 CD1 TYR A 51 -8.064 5.238 1.871 1.00 0.00 C ATOM 797 CD2 TYR A 51 -8.178 6.587 3.834 1.00 0.00 C ATOM 798 CE1 TYR A 51 -8.969 6.070 1.241 1.00 0.00 C ATOM 799 CE2 TYR A 51 -9.083 7.425 3.210 1.00 0.00 C ATOM 800 CZ TYR A 51 -9.475 7.162 1.914 1.00 0.00 C ATOM 801 OH TYR A 51 -10.376 7.994 1.289 1.00 0.00 O ATOM 0 H TYR A 51 -4.364 4.123 1.937 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.075 5.991 4.033 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.802 3.551 3.489 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.878 4.546 4.929 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.669 4.385 1.340 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.873 6.795 4.849 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -9.279 5.866 0.227 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -9.481 8.281 3.734 1.00 0.00 H new ATOM 0 HH TYR A 51 -10.635 8.714 1.901 1.00 0.00 H new ATOM 811 N VAL A 52 -2.996 4.377 4.423 1.00 0.00 N ATOM 812 CA VAL A 52 -2.002 3.577 5.121 1.00 0.00 C ATOM 813 C VAL A 52 -0.990 4.456 5.852 1.00 0.00 C ATOM 814 O VAL A 52 -0.861 5.645 5.563 1.00 0.00 O ATOM 815 CB VAL A 52 -1.265 2.619 4.156 1.00 0.00 C ATOM 816 CG1 VAL A 52 -2.177 2.224 3.008 1.00 0.00 C ATOM 817 CG2 VAL A 52 0.023 3.240 3.624 1.00 0.00 C ATOM 0 H VAL A 52 -2.621 5.201 3.953 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.539 2.980 5.858 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.993 1.725 4.717 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.645 1.550 2.337 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.061 1.722 3.402 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.480 3.116 2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.514 2.538 2.949 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.211 4.158 3.085 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.688 3.468 4.457 1.00 0.00 H new ATOM 827 N LEU A 53 -0.258 3.853 6.783 1.00 0.00 N ATOM 828 CA LEU A 53 0.758 4.566 7.530 1.00 0.00 C ATOM 829 C LEU A 53 2.135 4.004 7.191 1.00 0.00 C ATOM 830 O LEU A 53 2.411 2.837 7.449 1.00 0.00 O ATOM 831 CB LEU A 53 0.485 4.424 9.021 1.00 0.00 C ATOM 832 CG LEU A 53 1.586 4.928 9.934 1.00 0.00 C ATOM 833 CD1 LEU A 53 1.972 6.344 9.550 1.00 0.00 C ATOM 834 CD2 LEU A 53 1.145 4.858 11.388 1.00 0.00 C ATOM 0 H LEU A 53 -0.354 2.869 7.035 1.00 0.00 H new ATOM 0 HA LEU A 53 0.734 5.622 7.263 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.434 4.960 9.258 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.306 3.372 9.242 1.00 0.00 H new ATOM 0 HG LEU A 53 2.462 4.290 9.818 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.763 6.697 10.211 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.327 6.358 8.520 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.103 6.996 9.643 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.947 5.223 12.029 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.258 5.475 11.529 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.914 3.825 11.649 1.00 0.00 H new ATOM 846 N GLU A 54 2.990 4.834 6.606 1.00 0.00 N ATOM 847 CA GLU A 54 4.331 4.399 6.227 1.00 0.00 C ATOM 848 C GLU A 54 5.400 4.973 7.150 1.00 0.00 C ATOM 849 O GLU A 54 5.369 6.154 7.496 1.00 0.00 O ATOM 850 CB GLU A 54 4.625 4.792 4.781 1.00 0.00 C ATOM 851 CG GLU A 54 5.967 4.286 4.275 1.00 0.00 C ATOM 852 CD GLU A 54 6.940 5.409 3.978 1.00 0.00 C ATOM 853 OE1 GLU A 54 7.006 6.365 4.780 1.00 0.00 O ATOM 854 OE2 GLU A 54 7.636 5.334 2.944 1.00 0.00 O ATOM 0 H GLU A 54 2.781 5.807 6.384 1.00 0.00 H new ATOM 0 HA GLU A 54 4.360 3.314 6.322 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.834 4.404 4.139 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.600 5.878 4.696 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.404 3.620 5.019 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.811 3.697 3.371 1.00 0.00 H new ATOM 861 N GLU A 55 6.354 4.130 7.531 1.00 0.00 N ATOM 862 CA GLU A 55 7.443 4.545 8.397 1.00 0.00 C ATOM 863 C GLU A 55 8.781 4.411 7.674 1.00 0.00 C ATOM 864 O GLU A 55 9.196 3.309 7.318 1.00 0.00 O ATOM 865 CB GLU A 55 7.456 3.703 9.672 1.00 0.00 C ATOM 866 CG GLU A 55 6.078 3.297 10.146 1.00 0.00 C ATOM 867 CD GLU A 55 5.900 3.463 11.643 1.00 0.00 C ATOM 868 OE1 GLU A 55 5.530 4.573 12.077 1.00 0.00 O ATOM 869 OE2 GLU A 55 6.130 2.481 12.380 1.00 0.00 O ATOM 0 H GLU A 55 6.392 3.150 7.250 1.00 0.00 H new ATOM 0 HA GLU A 55 7.290 5.591 8.663 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.050 2.806 9.498 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.952 4.265 10.463 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.329 3.895 9.627 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.898 2.256 9.876 1.00 0.00 H new ATOM 876 N VAL A 56 9.450 5.539 7.454 1.00 0.00 N ATOM 877 CA VAL A 56 10.735 5.540 6.774 1.00 0.00 C ATOM 878 C VAL A 56 11.887 5.551 7.773 1.00 0.00 C ATOM 879 O VAL A 56 12.469 6.599 8.055 1.00 0.00 O ATOM 880 CB VAL A 56 10.873 6.748 5.823 1.00 0.00 C ATOM 881 CG1 VAL A 56 12.204 6.704 5.087 1.00 0.00 C ATOM 882 CG2 VAL A 56 9.714 6.786 4.837 1.00 0.00 C ATOM 0 H VAL A 56 9.121 6.462 7.738 1.00 0.00 H new ATOM 0 HA VAL A 56 10.780 4.624 6.186 1.00 0.00 H new ATOM 0 HB VAL A 56 10.845 7.659 6.420 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.281 7.564 4.422 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.020 6.730 5.809 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.266 5.787 4.502 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.828 7.644 4.175 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.709 5.870 4.246 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.774 6.871 5.383 1.00 0.00 H new ATOM 892 N ASP A 57 12.211 4.378 8.306 1.00 0.00 N ATOM 893 CA ASP A 57 13.294 4.251 9.273 1.00 0.00 C ATOM 894 C ASP A 57 14.634 4.611 8.639 1.00 0.00 C ATOM 895 O ASP A 57 15.574 4.940 9.393 1.00 0.00 O ATOM 896 CB ASP A 57 13.346 2.828 9.830 1.00 0.00 C ATOM 897 CG ASP A 57 14.392 2.670 10.918 1.00 0.00 C ATOM 898 OD1 ASP A 57 14.128 3.098 12.060 1.00 0.00 O ATOM 899 OD2 ASP A 57 15.473 2.118 10.625 1.00 0.00 O ATOM 900 OXT ASP A 57 14.732 4.559 7.395 1.00 0.00 O ATOM 0 H ASP A 57 11.739 3.502 8.084 1.00 0.00 H new ATOM 0 HA ASP A 57 13.100 4.946 10.090 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.367 2.561 10.229 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.561 2.131 9.020 1.00 0.00 H new