USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 522 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 34 THR OG1 : rot 180:sc= -0.553 USER MOD Set 1.2: A 35 ASN : amide:sc= 0 X(o=-0.55,f=-0.55) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -175:sc= 1.23 (180deg=1.13) USER MOD Single : A 12 ASN : amide:sc= -0.201 K(o=-0.2,f=-2) USER MOD Single : A 15 SER OG : rot 180:sc= -0.386 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 144:sc= -0.0639 (180deg=-0.639) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.271 K(o=-0.27,f=-5.1!) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 153:sc= -0.582 (180deg=-2.06!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -1.18! USER MOD Single : A 52 GLN : amide:sc= -0.448 X(o=-0.45,f=-0.27) USER MOD Single : A 53 SER OG : rot 110:sc= -4.05! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -3.83! C(o=-3.8!,f=-4.3!) USER MOD Single : A 61 GLN : amide:sc= 0.794 K(o=0.79,f=-6.4!) USER MOD Single : A 67 SER OG : rot -22:sc= 0.798 USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 3 -1.066 -12.751 1.324 1.00 0.00 N ATOM 20 CA ALA A 3 -1.562 -13.281 0.065 1.00 0.00 C ATOM 21 C ALA A 3 -0.499 -13.091 -1.019 1.00 0.00 C ATOM 22 O ALA A 3 -0.663 -13.559 -2.144 1.00 0.00 O ATOM 23 CB ALA A 3 -2.885 -12.599 -0.291 1.00 0.00 C ATOM 0 HA ALA A 3 -1.758 -14.350 0.150 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -3.257 -12.997 -1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.615 -12.789 0.495 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.726 -11.525 -0.387 1.00 0.00 H new ATOM 29 N GLY A 4 0.568 -12.401 -0.641 1.00 0.00 N ATOM 30 CA GLY A 4 1.658 -12.143 -1.566 1.00 0.00 C ATOM 31 C GLY A 4 2.239 -10.744 -1.352 1.00 0.00 C ATOM 32 O GLY A 4 1.843 -10.038 -0.425 1.00 0.00 O ATOM 0 H GLY A 4 0.700 -12.013 0.293 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.440 -12.890 -1.430 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.300 -12.239 -2.591 1.00 0.00 H new ATOM 36 N LYS A 5 3.169 -10.384 -2.225 1.00 0.00 N ATOM 37 CA LYS A 5 3.807 -9.082 -2.144 1.00 0.00 C ATOM 38 C LYS A 5 3.146 -8.130 -3.142 1.00 0.00 C ATOM 39 O LYS A 5 2.917 -8.495 -4.295 1.00 0.00 O ATOM 40 CB LYS A 5 5.320 -9.215 -2.330 1.00 0.00 C ATOM 41 CG LYS A 5 5.981 -9.775 -1.069 1.00 0.00 C ATOM 42 CD LYS A 5 7.505 -9.773 -1.201 1.00 0.00 C ATOM 43 CE LYS A 5 7.995 -11.027 -1.925 1.00 0.00 C ATOM 44 NZ LYS A 5 8.804 -11.869 -1.014 1.00 0.00 N ATOM 0 H LYS A 5 3.496 -10.972 -2.992 1.00 0.00 H new ATOM 0 HA LYS A 5 3.667 -8.651 -1.153 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.530 -9.870 -3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.748 -8.241 -2.567 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.687 -9.179 -0.205 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.629 -10.791 -0.891 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.825 -8.885 -1.747 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.959 -9.719 -0.212 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.143 -11.597 -2.295 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.591 -10.744 -2.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.129 -12.717 -1.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.627 -11.328 -0.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.225 -12.155 -0.199 1.00 0.00 H new ATOM 58 N PHE A 6 2.857 -6.929 -2.665 1.00 0.00 N ATOM 59 CA PHE A 6 2.227 -5.922 -3.502 1.00 0.00 C ATOM 60 C PHE A 6 3.100 -4.670 -3.607 1.00 0.00 C ATOM 61 O PHE A 6 4.067 -4.519 -2.862 1.00 0.00 O ATOM 62 CB PHE A 6 0.902 -5.549 -2.833 1.00 0.00 C ATOM 63 CG PHE A 6 -0.177 -6.628 -2.947 1.00 0.00 C ATOM 64 CD1 PHE A 6 0.068 -7.886 -2.490 1.00 0.00 C ATOM 65 CD2 PHE A 6 -1.381 -6.329 -3.504 1.00 0.00 C ATOM 66 CE1 PHE A 6 -0.935 -8.886 -2.595 1.00 0.00 C ATOM 67 CE2 PHE A 6 -2.382 -7.329 -3.610 1.00 0.00 C ATOM 68 CZ PHE A 6 -2.139 -8.588 -3.154 1.00 0.00 C ATOM 0 H PHE A 6 3.048 -6.630 -1.709 1.00 0.00 H new ATOM 0 HA PHE A 6 2.080 -6.315 -4.508 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.085 -5.342 -1.779 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.528 -4.627 -3.279 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.024 -8.124 -2.048 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.575 -5.330 -3.866 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.742 -9.884 -2.231 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -3.338 -7.091 -4.053 1.00 0.00 H new ATOM 0 HZ PHE A 6 -2.901 -9.349 -3.236 1.00 0.00 H new ATOM 78 N ILE A 7 2.730 -3.805 -4.540 1.00 0.00 N ATOM 79 CA ILE A 7 3.468 -2.572 -4.752 1.00 0.00 C ATOM 80 C ILE A 7 2.483 -1.435 -5.029 1.00 0.00 C ATOM 81 O ILE A 7 2.120 -1.189 -6.178 1.00 0.00 O ATOM 82 CB ILE A 7 4.516 -2.758 -5.850 1.00 0.00 C ATOM 83 CG1 ILE A 7 4.664 -4.234 -6.224 1.00 0.00 C ATOM 84 CG2 ILE A 7 5.854 -2.134 -5.442 1.00 0.00 C ATOM 85 CD1 ILE A 7 5.894 -4.457 -7.106 1.00 0.00 C ATOM 0 H ILE A 7 1.929 -3.934 -5.158 1.00 0.00 H new ATOM 0 HA ILE A 7 4.024 -2.301 -3.854 1.00 0.00 H new ATOM 0 HB ILE A 7 4.173 -2.233 -6.741 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.748 -4.835 -5.319 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.770 -4.571 -6.749 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.582 -2.280 -6.240 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.719 -1.067 -5.265 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.215 -2.610 -4.530 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.975 -5.515 -7.357 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.796 -3.873 -8.021 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.789 -4.142 -6.569 1.00 0.00 H new ATOM 97 N VAL A 8 2.078 -0.771 -3.956 1.00 0.00 N ATOM 98 CA VAL A 8 1.141 0.335 -4.070 1.00 0.00 C ATOM 99 C VAL A 8 1.919 1.651 -4.128 1.00 0.00 C ATOM 100 O VAL A 8 3.108 1.689 -3.817 1.00 0.00 O ATOM 101 CB VAL A 8 0.133 0.287 -2.920 1.00 0.00 C ATOM 102 CG1 VAL A 8 0.197 -1.057 -2.190 1.00 0.00 C ATOM 103 CG2 VAL A 8 0.352 1.449 -1.950 1.00 0.00 C ATOM 0 H VAL A 8 2.381 -0.977 -3.004 1.00 0.00 H new ATOM 0 HA VAL A 8 0.566 0.256 -4.992 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.865 0.390 -3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.529 -1.065 -1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.032 -1.862 -2.889 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.198 -1.203 -1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.378 1.391 -1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.358 1.392 -1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.232 2.393 -2.481 1.00 0.00 H new ATOM 113 N ILE A 9 1.214 2.700 -4.530 1.00 0.00 N ATOM 114 CA ILE A 9 1.823 4.014 -4.633 1.00 0.00 C ATOM 115 C ILE A 9 0.834 5.071 -4.136 1.00 0.00 C ATOM 116 O ILE A 9 -0.360 4.800 -4.019 1.00 0.00 O ATOM 117 CB ILE A 9 2.324 4.263 -6.057 1.00 0.00 C ATOM 118 CG1 ILE A 9 3.852 4.205 -6.119 1.00 0.00 C ATOM 119 CG2 ILE A 9 1.779 5.582 -6.609 1.00 0.00 C ATOM 120 CD1 ILE A 9 4.334 3.963 -7.551 1.00 0.00 C ATOM 0 H ILE A 9 0.228 2.665 -4.788 1.00 0.00 H new ATOM 0 HA ILE A 9 2.704 4.076 -3.994 1.00 0.00 H new ATOM 0 HB ILE A 9 1.944 3.465 -6.696 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.270 5.139 -5.744 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.216 3.409 -5.470 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.151 5.734 -7.622 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.690 5.548 -6.624 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.108 6.405 -5.975 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.423 3.926 -7.567 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.934 3.017 -7.915 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.989 4.774 -8.193 1.00 0.00 H new ATOM 132 N PHE A 10 1.368 6.251 -3.859 1.00 0.00 N ATOM 133 CA PHE A 10 0.546 7.349 -3.378 1.00 0.00 C ATOM 134 C PHE A 10 0.737 8.597 -4.243 1.00 0.00 C ATOM 135 O PHE A 10 1.813 8.814 -4.797 1.00 0.00 O ATOM 136 CB PHE A 10 1.003 7.658 -1.951 1.00 0.00 C ATOM 137 CG PHE A 10 0.890 6.472 -0.991 1.00 0.00 C ATOM 138 CD1 PHE A 10 1.630 5.351 -1.204 1.00 0.00 C ATOM 139 CD2 PHE A 10 0.048 6.538 0.076 1.00 0.00 C ATOM 140 CE1 PHE A 10 1.525 4.251 -0.313 1.00 0.00 C ATOM 141 CE2 PHE A 10 -0.057 5.437 0.966 1.00 0.00 C ATOM 142 CZ PHE A 10 0.684 4.317 0.753 1.00 0.00 C ATOM 0 H PHE A 10 2.359 6.471 -3.958 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.507 7.070 -3.417 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.040 7.994 -1.977 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.410 8.485 -1.562 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.298 5.298 -2.051 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.540 7.428 0.246 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.113 3.361 -0.482 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.726 5.489 1.813 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.604 3.480 1.431 1.00 0.00 H new ATOM 152 N LYS A 11 -0.325 9.384 -4.332 1.00 0.00 N ATOM 153 CA LYS A 11 -0.288 10.605 -5.120 1.00 0.00 C ATOM 154 C LYS A 11 0.797 11.532 -4.567 1.00 0.00 C ATOM 155 O LYS A 11 1.434 11.217 -3.563 1.00 0.00 O ATOM 156 CB LYS A 11 -1.675 11.247 -5.177 1.00 0.00 C ATOM 157 CG LYS A 11 -2.172 11.604 -3.775 1.00 0.00 C ATOM 158 CD LYS A 11 -3.651 11.999 -3.801 1.00 0.00 C ATOM 159 CE LYS A 11 -3.870 13.247 -4.658 1.00 0.00 C ATOM 160 NZ LYS A 11 -5.290 13.358 -5.059 1.00 0.00 N ATOM 0 H LYS A 11 -1.216 9.200 -3.872 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.021 10.384 -6.153 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.639 12.145 -5.794 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.377 10.562 -5.652 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.031 10.754 -3.108 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.579 12.426 -3.374 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.245 11.174 -4.195 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.999 12.185 -2.785 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.573 14.135 -4.100 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.238 13.202 -5.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.405 14.162 -5.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.586 12.482 -5.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.878 13.508 -4.215 1.00 0.00 H new ATOM 174 N ASN A 12 0.974 12.654 -5.247 1.00 0.00 N ATOM 175 CA ASN A 12 1.971 13.629 -4.837 1.00 0.00 C ATOM 176 C ASN A 12 1.320 14.658 -3.910 1.00 0.00 C ATOM 177 O ASN A 12 1.657 15.841 -3.956 1.00 0.00 O ATOM 178 CB ASN A 12 2.543 14.374 -6.044 1.00 0.00 C ATOM 179 CG ASN A 12 4.070 14.442 -5.973 1.00 0.00 C ATOM 180 OD1 ASN A 12 4.737 13.529 -5.515 1.00 0.00 O ATOM 181 ND2 ASN A 12 4.583 15.572 -6.452 1.00 0.00 N ATOM 0 H ASN A 12 0.444 12.911 -6.080 1.00 0.00 H new ATOM 0 HA ASN A 12 2.775 13.096 -4.329 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.240 13.872 -6.963 1.00 0.00 H new ATOM 0 HB3 ASN A 12 2.132 15.383 -6.082 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.593 15.715 -6.450 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.966 16.296 -6.821 1.00 0.00 H new ATOM 188 N ASP A 13 0.399 14.172 -3.092 1.00 0.00 N ATOM 189 CA ASP A 13 -0.302 15.035 -2.156 1.00 0.00 C ATOM 190 C ASP A 13 -0.229 14.427 -0.754 1.00 0.00 C ATOM 191 O ASP A 13 -0.027 15.140 0.226 1.00 0.00 O ATOM 192 CB ASP A 13 -1.778 15.175 -2.535 1.00 0.00 C ATOM 193 CG ASP A 13 -2.046 16.000 -3.796 1.00 0.00 C ATOM 194 OD1 ASP A 13 -1.973 15.402 -4.891 1.00 0.00 O ATOM 195 OD2 ASP A 13 -2.319 17.209 -3.636 1.00 0.00 O ATOM 0 H ASP A 13 0.121 13.191 -3.058 1.00 0.00 H new ATOM 0 HA ASP A 13 0.172 16.016 -2.183 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.198 14.179 -2.675 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.310 15.631 -1.700 1.00 0.00 H new ATOM 200 N VAL A 14 -0.399 13.114 -0.705 1.00 0.00 N ATOM 201 CA VAL A 14 -0.355 12.401 0.561 1.00 0.00 C ATOM 202 C VAL A 14 0.686 13.054 1.473 1.00 0.00 C ATOM 203 O VAL A 14 1.695 13.572 0.999 1.00 0.00 O ATOM 204 CB VAL A 14 -0.086 10.915 0.315 1.00 0.00 C ATOM 205 CG1 VAL A 14 0.800 10.714 -0.916 1.00 0.00 C ATOM 206 CG2 VAL A 14 0.532 10.258 1.551 1.00 0.00 C ATOM 0 H VAL A 14 -0.567 12.525 -1.521 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.317 12.464 1.069 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.042 10.429 0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.976 9.649 -1.068 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.304 11.129 -1.793 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.753 11.221 -0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.713 9.202 1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.475 10.749 1.791 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.152 10.354 2.394 1.00 0.00 H new ATOM 216 N SER A 15 0.403 13.008 2.767 1.00 0.00 N ATOM 217 CA SER A 15 1.302 13.589 3.750 1.00 0.00 C ATOM 218 C SER A 15 2.303 12.536 4.230 1.00 0.00 C ATOM 219 O SER A 15 2.072 11.338 4.076 1.00 0.00 O ATOM 220 CB SER A 15 0.524 14.161 4.936 1.00 0.00 C ATOM 221 OG SER A 15 0.554 13.290 6.064 1.00 0.00 O ATOM 0 H SER A 15 -0.435 12.578 3.157 1.00 0.00 H new ATOM 0 HA SER A 15 1.844 14.408 3.277 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.944 15.128 5.213 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.510 14.336 4.641 1.00 0.00 H new ATOM 0 HG SER A 15 0.048 13.691 6.801 1.00 0.00 H new ATOM 227 N GLU A 16 3.396 13.022 4.801 1.00 0.00 N ATOM 228 CA GLU A 16 4.433 12.137 5.304 1.00 0.00 C ATOM 229 C GLU A 16 3.872 11.234 6.404 1.00 0.00 C ATOM 230 O GLU A 16 4.026 10.014 6.349 1.00 0.00 O ATOM 231 CB GLU A 16 5.637 12.936 5.810 1.00 0.00 C ATOM 232 CG GLU A 16 6.929 12.132 5.661 1.00 0.00 C ATOM 233 CD GLU A 16 8.080 13.026 5.195 1.00 0.00 C ATOM 234 OE1 GLU A 16 8.057 13.405 4.003 1.00 0.00 O ATOM 235 OE2 GLU A 16 8.956 13.311 6.039 1.00 0.00 O ATOM 0 H GLU A 16 3.586 14.016 4.926 1.00 0.00 H new ATOM 0 HA GLU A 16 4.776 11.507 4.484 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.719 13.869 5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.488 13.201 6.857 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.186 11.670 6.614 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.778 11.324 4.945 1.00 0.00 H new ATOM 242 N ASP A 17 3.235 11.866 7.378 1.00 0.00 N ATOM 243 CA ASP A 17 2.652 11.135 8.489 1.00 0.00 C ATOM 244 C ASP A 17 1.590 10.170 7.958 1.00 0.00 C ATOM 245 O ASP A 17 1.449 9.057 8.463 1.00 0.00 O ATOM 246 CB ASP A 17 1.974 12.085 9.479 1.00 0.00 C ATOM 247 CG ASP A 17 2.697 12.248 10.817 1.00 0.00 C ATOM 248 OD1 ASP A 17 3.913 11.961 10.843 1.00 0.00 O ATOM 249 OD2 ASP A 17 2.017 12.656 11.784 1.00 0.00 O ATOM 0 H ASP A 17 3.110 12.877 7.421 1.00 0.00 H new ATOM 0 HA ASP A 17 3.453 10.597 8.996 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.880 13.065 9.012 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.963 11.725 9.671 1.00 0.00 H new ATOM 254 N LYS A 18 0.870 10.632 6.946 1.00 0.00 N ATOM 255 CA LYS A 18 -0.175 9.824 6.340 1.00 0.00 C ATOM 256 C LYS A 18 0.445 8.557 5.746 1.00 0.00 C ATOM 257 O LYS A 18 -0.067 7.458 5.946 1.00 0.00 O ATOM 258 CB LYS A 18 -0.973 10.650 5.329 1.00 0.00 C ATOM 259 CG LYS A 18 -2.384 10.936 5.848 1.00 0.00 C ATOM 260 CD LYS A 18 -3.403 10.910 4.707 1.00 0.00 C ATOM 261 CE LYS A 18 -4.623 10.065 5.081 1.00 0.00 C ATOM 262 NZ LYS A 18 -4.379 8.638 4.776 1.00 0.00 N ATOM 0 H LYS A 18 0.990 11.556 6.530 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.894 9.504 7.094 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.456 11.589 5.133 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.032 10.114 4.382 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.656 10.195 6.600 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.405 11.910 6.337 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.718 11.927 4.473 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.938 10.506 3.808 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.843 10.184 6.142 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.497 10.416 4.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.217 8.079 5.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.191 8.528 3.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.557 8.303 5.318 1.00 0.00 H new ATOM 276 N ILE A 19 1.541 8.755 5.027 1.00 0.00 N ATOM 277 CA ILE A 19 2.236 7.643 4.403 1.00 0.00 C ATOM 278 C ILE A 19 2.581 6.600 5.468 1.00 0.00 C ATOM 279 O ILE A 19 2.161 5.447 5.372 1.00 0.00 O ATOM 280 CB ILE A 19 3.450 8.143 3.617 1.00 0.00 C ATOM 281 CG1 ILE A 19 3.277 7.887 2.118 1.00 0.00 C ATOM 282 CG2 ILE A 19 4.744 7.531 4.157 1.00 0.00 C ATOM 283 CD1 ILE A 19 4.111 8.869 1.293 1.00 0.00 C ATOM 0 H ILE A 19 1.964 9.669 4.863 1.00 0.00 H new ATOM 0 HA ILE A 19 1.592 7.153 3.673 1.00 0.00 H new ATOM 0 HB ILE A 19 3.523 9.222 3.753 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.575 6.865 1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.225 7.982 1.848 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.591 7.903 3.580 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.868 7.808 5.204 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.696 6.445 4.072 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.969 8.665 0.232 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.794 9.889 1.512 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.165 8.754 1.547 1.00 0.00 H new ATOM 295 N ARG A 20 3.343 7.041 6.457 1.00 0.00 N ATOM 296 CA ARG A 20 3.750 6.160 7.539 1.00 0.00 C ATOM 297 C ARG A 20 2.521 5.538 8.207 1.00 0.00 C ATOM 298 O ARG A 20 2.582 4.414 8.703 1.00 0.00 O ATOM 299 CB ARG A 20 4.564 6.918 8.591 1.00 0.00 C ATOM 300 CG ARG A 20 5.893 7.403 8.008 1.00 0.00 C ATOM 301 CD ARG A 20 7.063 7.005 8.910 1.00 0.00 C ATOM 302 NE ARG A 20 8.344 7.216 8.198 1.00 0.00 N ATOM 303 CZ ARG A 20 9.549 6.984 8.736 1.00 0.00 C ATOM 304 NH1 ARG A 20 9.646 6.532 9.994 1.00 0.00 N ATOM 305 NH2 ARG A 20 10.657 7.203 8.016 1.00 0.00 N ATOM 0 H ARG A 20 3.690 7.997 6.532 1.00 0.00 H new ATOM 0 HA ARG A 20 4.373 5.375 7.111 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.990 7.770 8.956 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.753 6.270 9.447 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.035 6.979 7.014 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.870 8.487 7.892 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.045 7.596 9.826 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.968 5.959 9.203 1.00 0.00 H new ATOM 0 HE ARG A 20 8.307 7.559 7.238 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.802 6.364 10.542 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.564 6.355 10.403 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.583 7.546 7.058 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.574 7.026 8.425 1.00 0.00 H new ATOM 319 N GLU A 21 1.434 6.296 8.197 1.00 0.00 N ATOM 320 CA GLU A 21 0.194 5.833 8.795 1.00 0.00 C ATOM 321 C GLU A 21 -0.379 4.663 7.993 1.00 0.00 C ATOM 322 O GLU A 21 -0.420 3.534 8.479 1.00 0.00 O ATOM 323 CB GLU A 21 -0.822 6.972 8.902 1.00 0.00 C ATOM 324 CG GLU A 21 -0.533 7.851 10.120 1.00 0.00 C ATOM 325 CD GLU A 21 -1.745 7.912 11.053 1.00 0.00 C ATOM 326 OE1 GLU A 21 -2.831 8.273 10.549 1.00 0.00 O ATOM 327 OE2 GLU A 21 -1.558 7.594 12.247 1.00 0.00 O ATOM 0 H GLU A 21 1.387 7.228 7.784 1.00 0.00 H new ATOM 0 HA GLU A 21 0.410 5.485 9.805 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.791 7.578 7.996 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.829 6.561 8.976 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.327 7.457 10.661 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.271 8.857 9.793 1.00 0.00 H new ATOM 334 N THR A 22 -0.804 4.972 6.777 1.00 0.00 N ATOM 335 CA THR A 22 -1.372 3.959 5.903 1.00 0.00 C ATOM 336 C THR A 22 -0.550 2.671 5.976 1.00 0.00 C ATOM 337 O THR A 22 -1.108 1.575 5.995 1.00 0.00 O ATOM 338 CB THR A 22 -1.457 4.547 4.492 1.00 0.00 C ATOM 339 OG1 THR A 22 -2.492 5.521 4.585 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.984 3.539 3.470 1.00 0.00 C ATOM 0 H THR A 22 -0.767 5.909 6.376 1.00 0.00 H new ATOM 0 HA THR A 22 -2.379 3.683 6.217 1.00 0.00 H new ATOM 0 HB THR A 22 -0.472 4.896 4.183 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.613 5.954 3.714 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.025 4.006 2.486 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.320 2.676 3.435 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.984 3.216 3.760 1.00 0.00 H new ATOM 348 N LYS A 23 0.763 2.845 6.014 1.00 0.00 N ATOM 349 CA LYS A 23 1.667 1.710 6.086 1.00 0.00 C ATOM 350 C LYS A 23 1.495 1.010 7.435 1.00 0.00 C ATOM 351 O LYS A 23 1.316 -0.206 7.489 1.00 0.00 O ATOM 352 CB LYS A 23 3.104 2.150 5.799 1.00 0.00 C ATOM 353 CG LYS A 23 3.484 1.869 4.344 1.00 0.00 C ATOM 354 CD LYS A 23 3.762 3.170 3.588 1.00 0.00 C ATOM 355 CE LYS A 23 5.133 3.737 3.960 1.00 0.00 C ATOM 356 NZ LYS A 23 6.210 2.830 3.504 1.00 0.00 N ATOM 0 H LYS A 23 1.222 3.755 5.996 1.00 0.00 H new ATOM 0 HA LYS A 23 1.422 0.979 5.315 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.210 3.215 6.007 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.789 1.625 6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.367 1.230 4.312 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.678 1.324 3.853 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.719 2.987 2.514 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.987 3.901 3.818 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.261 4.720 3.507 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.196 3.872 5.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.027 3.392 3.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.496 2.210 4.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.864 2.251 2.713 1.00 0.00 H new ATOM 370 N ASP A 24 1.555 1.808 8.491 1.00 0.00 N ATOM 371 CA ASP A 24 1.409 1.279 9.837 1.00 0.00 C ATOM 372 C ASP A 24 0.033 0.626 9.977 1.00 0.00 C ATOM 373 O ASP A 24 -0.095 -0.438 10.582 1.00 0.00 O ATOM 374 CB ASP A 24 1.510 2.395 10.880 1.00 0.00 C ATOM 375 CG ASP A 24 2.869 2.510 11.574 1.00 0.00 C ATOM 376 OD1 ASP A 24 3.650 1.540 11.457 1.00 0.00 O ATOM 377 OD2 ASP A 24 3.097 3.564 12.205 1.00 0.00 O ATOM 0 H ASP A 24 1.703 2.816 8.442 1.00 0.00 H new ATOM 0 HA ASP A 24 2.206 0.555 10.004 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.284 3.345 10.396 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.744 2.233 11.638 1.00 0.00 H new ATOM 382 N GLU A 25 -0.962 1.288 9.407 1.00 0.00 N ATOM 383 CA GLU A 25 -2.325 0.785 9.459 1.00 0.00 C ATOM 384 C GLU A 25 -2.377 -0.658 8.955 1.00 0.00 C ATOM 385 O GLU A 25 -3.044 -1.504 9.548 1.00 0.00 O ATOM 386 CB GLU A 25 -3.273 1.680 8.660 1.00 0.00 C ATOM 387 CG GLU A 25 -4.688 1.635 9.239 1.00 0.00 C ATOM 388 CD GLU A 25 -5.310 0.249 9.061 1.00 0.00 C ATOM 389 OE1 GLU A 25 -5.224 -0.270 7.926 1.00 0.00 O ATOM 390 OE2 GLU A 25 -5.857 -0.261 10.062 1.00 0.00 O ATOM 0 H GLU A 25 -0.852 2.170 8.906 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.657 0.799 10.497 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.905 2.706 8.670 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.292 1.358 7.619 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.660 1.891 10.298 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.310 2.383 8.747 1.00 0.00 H new ATOM 397 N VAL A 26 -1.664 -0.896 7.863 1.00 0.00 N ATOM 398 CA VAL A 26 -1.621 -2.221 7.270 1.00 0.00 C ATOM 399 C VAL A 26 -0.808 -3.152 8.172 1.00 0.00 C ATOM 400 O VAL A 26 -1.169 -4.313 8.359 1.00 0.00 O ATOM 401 CB VAL A 26 -1.072 -2.140 5.844 1.00 0.00 C ATOM 402 CG1 VAL A 26 0.283 -2.842 5.739 1.00 0.00 C ATOM 403 CG2 VAL A 26 -2.069 -2.720 4.839 1.00 0.00 C ATOM 0 H VAL A 26 -1.111 -0.192 7.374 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.625 -2.638 7.193 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.925 -1.088 5.600 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.652 -2.770 4.716 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.993 -2.365 6.415 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.171 -3.891 6.012 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.654 -2.650 3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.262 -3.765 5.080 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.002 -2.158 4.886 1.00 0.00 H new ATOM 413 N ILE A 27 0.275 -2.607 8.708 1.00 0.00 N ATOM 414 CA ILE A 27 1.143 -3.374 9.586 1.00 0.00 C ATOM 415 C ILE A 27 0.308 -3.990 10.710 1.00 0.00 C ATOM 416 O ILE A 27 0.324 -5.203 10.907 1.00 0.00 O ATOM 417 CB ILE A 27 2.302 -2.508 10.082 1.00 0.00 C ATOM 418 CG1 ILE A 27 3.205 -2.083 8.923 1.00 0.00 C ATOM 419 CG2 ILE A 27 3.085 -3.221 11.186 1.00 0.00 C ATOM 420 CD1 ILE A 27 4.265 -3.147 8.633 1.00 0.00 C ATOM 0 H ILE A 27 0.571 -1.644 8.551 1.00 0.00 H new ATOM 0 HA ILE A 27 1.603 -4.199 9.043 1.00 0.00 H new ATOM 0 HB ILE A 27 1.887 -1.599 10.516 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.602 -1.913 8.031 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.691 -1.137 9.164 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.903 -2.584 11.521 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.422 -3.431 12.025 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.489 -4.157 10.800 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.893 -2.819 7.805 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.882 -3.297 9.519 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.776 -4.085 8.368 1.00 0.00 H new ATOM 432 N ALA A 28 -0.400 -3.123 11.420 1.00 0.00 N ATOM 433 CA ALA A 28 -1.240 -3.566 12.520 1.00 0.00 C ATOM 434 C ALA A 28 -2.390 -4.412 11.970 1.00 0.00 C ATOM 435 O ALA A 28 -2.766 -5.418 12.568 1.00 0.00 O ATOM 436 CB ALA A 28 -1.734 -2.350 13.306 1.00 0.00 C ATOM 0 H ALA A 28 -0.409 -2.117 11.255 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.672 -4.191 13.209 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.364 -2.682 14.131 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.880 -1.800 13.700 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.311 -1.701 12.647 1.00 0.00 H new ATOM 442 N GLU A 29 -2.916 -3.972 10.837 1.00 0.00 N ATOM 443 CA GLU A 29 -4.016 -4.676 10.199 1.00 0.00 C ATOM 444 C GLU A 29 -3.591 -6.098 9.828 1.00 0.00 C ATOM 445 O GLU A 29 -3.972 -7.058 10.497 1.00 0.00 O ATOM 446 CB GLU A 29 -4.515 -3.915 8.969 1.00 0.00 C ATOM 447 CG GLU A 29 -5.786 -4.555 8.407 1.00 0.00 C ATOM 448 CD GLU A 29 -6.985 -4.287 9.319 1.00 0.00 C ATOM 449 OE1 GLU A 29 -7.143 -5.059 10.289 1.00 0.00 O ATOM 450 OE2 GLU A 29 -7.715 -3.317 9.024 1.00 0.00 O ATOM 0 H GLU A 29 -2.601 -3.137 10.344 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.842 -4.737 10.907 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.713 -2.877 9.235 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.739 -3.905 8.203 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.987 -4.160 7.411 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.639 -5.630 8.300 1.00 0.00 H new ATOM 457 N GLY A 30 -2.808 -6.190 8.764 1.00 0.00 N ATOM 458 CA GLY A 30 -2.327 -7.478 8.295 1.00 0.00 C ATOM 459 C GLY A 30 -1.056 -7.319 7.460 1.00 0.00 C ATOM 460 O GLY A 30 0.035 -7.665 7.913 1.00 0.00 O ATOM 0 H GLY A 30 -2.494 -5.392 8.212 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.127 -8.128 9.147 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.100 -7.963 7.699 1.00 0.00 H new ATOM 464 N GLY A 31 -1.237 -6.796 6.257 1.00 0.00 N ATOM 465 CA GLY A 31 -0.117 -6.587 5.355 1.00 0.00 C ATOM 466 C GLY A 31 1.103 -6.056 6.110 1.00 0.00 C ATOM 467 O GLY A 31 0.983 -5.595 7.244 1.00 0.00 O ATOM 0 H GLY A 31 -2.143 -6.510 5.885 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.137 -7.525 4.861 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.401 -5.882 4.574 1.00 0.00 H new ATOM 471 N THR A 32 2.249 -6.137 5.449 1.00 0.00 N ATOM 472 CA THR A 32 3.490 -5.671 6.044 1.00 0.00 C ATOM 473 C THR A 32 4.279 -4.828 5.039 1.00 0.00 C ATOM 474 O THR A 32 3.787 -4.533 3.951 1.00 0.00 O ATOM 475 CB THR A 32 4.260 -6.891 6.552 1.00 0.00 C ATOM 476 OG1 THR A 32 3.243 -7.774 7.019 1.00 0.00 O ATOM 477 CG2 THR A 32 5.089 -6.584 7.800 1.00 0.00 C ATOM 0 H THR A 32 2.344 -6.518 4.508 1.00 0.00 H new ATOM 0 HA THR A 32 3.299 -5.014 6.893 1.00 0.00 H new ATOM 0 HB THR A 32 4.916 -7.259 5.763 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.655 -8.593 7.365 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.615 -7.484 8.118 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.813 -5.802 7.572 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.430 -6.247 8.600 1.00 0.00 H new ATOM 485 N ILE A 33 5.488 -4.466 5.440 1.00 0.00 N ATOM 486 CA ILE A 33 6.350 -3.664 4.588 1.00 0.00 C ATOM 487 C ILE A 33 7.784 -4.191 4.680 1.00 0.00 C ATOM 488 O ILE A 33 8.325 -4.342 5.775 1.00 0.00 O ATOM 489 CB ILE A 33 6.216 -2.180 4.936 1.00 0.00 C ATOM 490 CG1 ILE A 33 4.749 -1.795 5.140 1.00 0.00 C ATOM 491 CG2 ILE A 33 6.898 -1.306 3.882 1.00 0.00 C ATOM 492 CD1 ILE A 33 4.026 -1.666 3.798 1.00 0.00 C ATOM 0 H ILE A 33 5.892 -4.713 6.344 1.00 0.00 H new ATOM 0 HA ILE A 33 6.044 -3.752 3.545 1.00 0.00 H new ATOM 0 HB ILE A 33 6.729 -2.003 5.881 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.253 -2.547 5.754 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.689 -0.851 5.682 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.788 -0.256 4.153 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.957 -1.558 3.830 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.436 -1.480 2.910 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.985 -1.392 3.970 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.509 -0.896 3.197 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.067 -2.618 3.269 1.00 0.00 H new ATOM 504 N THR A 34 8.359 -4.455 3.516 1.00 0.00 N ATOM 505 CA THR A 34 9.719 -4.962 3.452 1.00 0.00 C ATOM 506 C THR A 34 10.645 -3.923 2.817 1.00 0.00 C ATOM 507 O THR A 34 11.823 -3.846 3.160 1.00 0.00 O ATOM 508 CB THR A 34 9.692 -6.293 2.697 1.00 0.00 C ATOM 509 OG1 THR A 34 9.261 -5.941 1.386 1.00 0.00 O ATOM 510 CG2 THR A 34 8.600 -7.235 3.209 1.00 0.00 C ATOM 0 H THR A 34 7.908 -4.327 2.610 1.00 0.00 H new ATOM 0 HA THR A 34 10.121 -5.145 4.449 1.00 0.00 H new ATOM 0 HB THR A 34 10.663 -6.780 2.787 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.217 -6.746 0.829 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.625 -8.164 2.640 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.771 -7.451 4.264 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.626 -6.762 3.089 1.00 0.00 H new ATOM 518 N ASN A 35 10.077 -3.150 1.904 1.00 0.00 N ATOM 519 CA ASN A 35 10.837 -2.118 1.218 1.00 0.00 C ATOM 520 C ASN A 35 9.929 -0.918 0.945 1.00 0.00 C ATOM 521 O ASN A 35 8.705 -1.046 0.952 1.00 0.00 O ATOM 522 CB ASN A 35 11.367 -2.626 -0.124 1.00 0.00 C ATOM 523 CG ASN A 35 12.672 -3.404 0.061 1.00 0.00 C ATOM 524 OD1 ASN A 35 13.757 -2.848 0.097 1.00 0.00 O ATOM 525 ND2 ASN A 35 12.504 -4.718 0.174 1.00 0.00 N ATOM 0 H ASN A 35 9.099 -3.217 1.623 1.00 0.00 H new ATOM 0 HA ASN A 35 11.676 -1.837 1.854 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.621 -3.267 -0.595 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.534 -1.784 -0.796 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.313 -5.327 0.300 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.566 -5.117 0.135 1.00 0.00 H new ATOM 532 N GLU A 36 10.562 0.222 0.711 1.00 0.00 N ATOM 533 CA GLU A 36 9.826 1.444 0.435 1.00 0.00 C ATOM 534 C GLU A 36 10.452 2.185 -0.749 1.00 0.00 C ATOM 535 O GLU A 36 11.540 1.834 -1.200 1.00 0.00 O ATOM 536 CB GLU A 36 9.767 2.340 1.674 1.00 0.00 C ATOM 537 CG GLU A 36 11.013 3.223 1.771 1.00 0.00 C ATOM 538 CD GLU A 36 12.261 2.383 2.046 1.00 0.00 C ATOM 539 OE1 GLU A 36 12.357 1.863 3.179 1.00 0.00 O ATOM 540 OE2 GLU A 36 13.091 2.279 1.118 1.00 0.00 O ATOM 0 H GLU A 36 11.577 0.325 0.707 1.00 0.00 H new ATOM 0 HA GLU A 36 8.803 1.177 0.171 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.876 2.966 1.633 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.683 1.724 2.569 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.142 3.779 0.842 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.882 3.957 2.566 1.00 0.00 H new ATOM 547 N TYR A 37 9.736 3.197 -1.217 1.00 0.00 N ATOM 548 CA TYR A 37 10.208 3.991 -2.339 1.00 0.00 C ATOM 549 C TYR A 37 10.115 5.486 -2.030 1.00 0.00 C ATOM 550 O TYR A 37 9.093 6.117 -2.298 1.00 0.00 O ATOM 551 CB TYR A 37 9.275 3.665 -3.507 1.00 0.00 C ATOM 552 CG TYR A 37 9.431 2.243 -4.050 1.00 0.00 C ATOM 553 CD1 TYR A 37 10.673 1.786 -4.445 1.00 0.00 C ATOM 554 CD2 TYR A 37 8.331 1.415 -4.144 1.00 0.00 C ATOM 555 CE1 TYR A 37 10.820 0.448 -4.955 1.00 0.00 C ATOM 556 CE2 TYR A 37 8.477 0.076 -4.653 1.00 0.00 C ATOM 557 CZ TYR A 37 9.715 -0.341 -5.034 1.00 0.00 C ATOM 558 OH TYR A 37 9.853 -1.606 -5.516 1.00 0.00 O ATOM 0 H TYR A 37 8.833 3.485 -0.840 1.00 0.00 H new ATOM 0 HA TYR A 37 11.251 3.763 -2.560 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.243 3.809 -3.186 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.459 4.374 -4.315 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.535 2.433 -4.371 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.359 1.772 -3.835 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.786 0.079 -5.268 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.624 -0.582 -4.731 1.00 0.00 H new ATOM 0 HH TYR A 37 8.981 -2.054 -5.514 1.00 0.00 H new ATOM 568 N ASN A 38 11.196 6.011 -1.471 1.00 0.00 N ATOM 569 CA ASN A 38 11.249 7.421 -1.124 1.00 0.00 C ATOM 570 C ASN A 38 11.972 8.188 -2.232 1.00 0.00 C ATOM 571 O ASN A 38 13.108 8.625 -2.049 1.00 0.00 O ATOM 572 CB ASN A 38 12.017 7.637 0.182 1.00 0.00 C ATOM 573 CG ASN A 38 13.298 6.801 0.209 1.00 0.00 C ATOM 574 OD1 ASN A 38 13.777 6.318 -0.805 1.00 0.00 O ATOM 575 ND2 ASN A 38 13.825 6.659 1.421 1.00 0.00 N ATOM 0 H ASN A 38 12.042 5.485 -1.250 1.00 0.00 H new ATOM 0 HA ASN A 38 10.226 7.778 -1.004 1.00 0.00 H new ATOM 0 HB2 ASN A 38 12.265 8.693 0.292 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.385 7.368 1.028 1.00 0.00 H new ATOM 0 HD21 ASN A 38 14.682 6.119 1.545 1.00 0.00 H new ATOM 0 HD22 ASN A 38 13.373 7.090 2.227 1.00 0.00 H new ATOM 582 N MET A 39 11.285 8.329 -3.355 1.00 0.00 N ATOM 583 CA MET A 39 11.849 9.036 -4.493 1.00 0.00 C ATOM 584 C MET A 39 11.229 10.428 -4.635 1.00 0.00 C ATOM 585 O MET A 39 10.127 10.673 -4.147 1.00 0.00 O ATOM 586 CB MET A 39 11.597 8.232 -5.770 1.00 0.00 C ATOM 587 CG MET A 39 12.727 7.232 -6.021 1.00 0.00 C ATOM 588 SD MET A 39 12.241 5.608 -5.464 1.00 0.00 S ATOM 589 CE MET A 39 13.845 4.841 -5.308 1.00 0.00 C ATOM 0 H MET A 39 10.343 7.966 -3.502 1.00 0.00 H new ATOM 0 HA MET A 39 12.921 9.151 -4.331 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.648 7.701 -5.688 1.00 0.00 H new ATOM 0 HB3 MET A 39 11.511 8.910 -6.619 1.00 0.00 H new ATOM 0 HG2 MET A 39 12.969 7.204 -7.083 1.00 0.00 H new ATOM 0 HG3 MET A 39 13.628 7.550 -5.497 1.00 0.00 H new ATOM 0 HE1 MET A 39 13.725 3.813 -4.966 1.00 0.00 H new ATOM 0 HE2 MET A 39 14.346 4.846 -6.276 1.00 0.00 H new ATOM 0 HE3 MET A 39 14.445 5.395 -4.586 1.00 0.00 H new ATOM 599 N PRO A 40 11.984 11.325 -5.324 1.00 0.00 N ATOM 600 CA PRO A 40 11.520 12.686 -5.536 1.00 0.00 C ATOM 601 C PRO A 40 10.428 12.732 -6.606 1.00 0.00 C ATOM 602 O PRO A 40 10.723 12.780 -7.799 1.00 0.00 O ATOM 603 CB PRO A 40 12.764 13.469 -5.924 1.00 0.00 C ATOM 604 CG PRO A 40 13.787 12.435 -6.367 1.00 0.00 C ATOM 605 CD PRO A 40 13.293 11.070 -5.917 1.00 0.00 C ATOM 0 HA PRO A 40 11.055 13.115 -4.648 1.00 0.00 H new ATOM 0 HB2 PRO A 40 12.547 14.173 -6.727 1.00 0.00 H new ATOM 0 HB3 PRO A 40 13.137 14.052 -5.082 1.00 0.00 H new ATOM 0 HG2 PRO A 40 13.910 12.459 -7.450 1.00 0.00 H new ATOM 0 HG3 PRO A 40 14.762 12.651 -5.931 1.00 0.00 H new ATOM 0 HD2 PRO A 40 13.219 10.379 -6.757 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.974 10.621 -5.194 1.00 0.00 H new ATOM 613 N GLY A 41 9.187 12.717 -6.140 1.00 0.00 N ATOM 614 CA GLY A 41 8.049 12.756 -7.042 1.00 0.00 C ATOM 615 C GLY A 41 7.255 11.450 -6.980 1.00 0.00 C ATOM 616 O GLY A 41 6.133 11.376 -7.480 1.00 0.00 O ATOM 0 H GLY A 41 8.945 12.678 -5.150 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.401 13.592 -6.780 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.394 12.928 -8.062 1.00 0.00 H new ATOM 620 N MET A 42 7.868 10.451 -6.362 1.00 0.00 N ATOM 621 CA MET A 42 7.232 9.151 -6.229 1.00 0.00 C ATOM 622 C MET A 42 7.237 8.686 -4.770 1.00 0.00 C ATOM 623 O MET A 42 8.298 8.527 -4.169 1.00 0.00 O ATOM 624 CB MET A 42 7.973 8.129 -7.093 1.00 0.00 C ATOM 625 CG MET A 42 7.301 6.756 -7.016 1.00 0.00 C ATOM 626 SD MET A 42 7.489 5.896 -8.568 1.00 0.00 S ATOM 627 CE MET A 42 8.014 4.296 -7.974 1.00 0.00 C ATOM 0 H MET A 42 8.798 10.515 -5.948 1.00 0.00 H new ATOM 0 HA MET A 42 6.197 9.237 -6.561 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.994 8.470 -8.128 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.009 8.050 -6.762 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.744 6.170 -6.210 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.243 6.873 -6.781 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.726 3.529 -8.693 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.097 4.291 -7.852 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.539 4.090 -7.015 1.00 0.00 H new ATOM 637 N LYS A 43 6.038 8.479 -4.245 1.00 0.00 N ATOM 638 CA LYS A 43 5.891 8.035 -2.869 1.00 0.00 C ATOM 639 C LYS A 43 5.168 6.687 -2.847 1.00 0.00 C ATOM 640 O LYS A 43 3.946 6.636 -2.718 1.00 0.00 O ATOM 641 CB LYS A 43 5.206 9.114 -2.029 1.00 0.00 C ATOM 642 CG LYS A 43 6.156 10.282 -1.754 1.00 0.00 C ATOM 643 CD LYS A 43 5.766 11.511 -2.577 1.00 0.00 C ATOM 644 CE LYS A 43 6.985 12.108 -3.283 1.00 0.00 C ATOM 645 NZ LYS A 43 7.814 12.875 -2.326 1.00 0.00 N ATOM 0 H LYS A 43 5.160 8.610 -4.747 1.00 0.00 H new ATOM 0 HA LYS A 43 6.868 7.880 -2.412 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.320 9.477 -2.549 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.869 8.685 -1.085 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.136 10.529 -0.693 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.178 9.989 -1.994 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.013 11.235 -3.315 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.315 12.260 -1.927 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.579 11.312 -3.731 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.660 12.759 -4.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.637 13.273 -2.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.249 13.647 -1.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.139 12.245 -1.566 1.00 0.00 H new ATOM 659 N GLY A 44 5.954 5.628 -2.978 1.00 0.00 N ATOM 660 CA GLY A 44 5.403 4.283 -2.974 1.00 0.00 C ATOM 661 C GLY A 44 6.197 3.368 -2.039 1.00 0.00 C ATOM 662 O GLY A 44 7.084 3.827 -1.322 1.00 0.00 O ATOM 0 H GLY A 44 6.967 5.674 -3.087 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.360 4.314 -2.659 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.418 3.877 -3.985 1.00 0.00 H new ATOM 666 N PHE A 45 5.849 2.090 -2.078 1.00 0.00 N ATOM 667 CA PHE A 45 6.518 1.107 -1.243 1.00 0.00 C ATOM 668 C PHE A 45 6.138 -0.316 -1.661 1.00 0.00 C ATOM 669 O PHE A 45 5.155 -0.516 -2.371 1.00 0.00 O ATOM 670 CB PHE A 45 6.049 1.347 0.193 1.00 0.00 C ATOM 671 CG PHE A 45 4.666 0.770 0.501 1.00 0.00 C ATOM 672 CD1 PHE A 45 4.508 -0.571 0.661 1.00 0.00 C ATOM 673 CD2 PHE A 45 3.593 1.598 0.615 1.00 0.00 C ATOM 674 CE1 PHE A 45 3.224 -1.107 0.946 1.00 0.00 C ATOM 675 CE2 PHE A 45 2.309 1.062 0.900 1.00 0.00 C ATOM 676 CZ PHE A 45 2.153 -0.279 1.060 1.00 0.00 C ATOM 0 H PHE A 45 5.113 1.713 -2.675 1.00 0.00 H new ATOM 0 HA PHE A 45 7.599 1.209 -1.340 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.775 0.910 0.879 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.035 2.420 0.385 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.360 -1.229 0.571 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.717 2.663 0.489 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.099 -2.172 1.072 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.457 1.719 0.990 1.00 0.00 H new ATOM 0 HZ PHE A 45 1.177 -0.686 1.278 1.00 0.00 H new ATOM 686 N ALA A 46 6.937 -1.266 -1.200 1.00 0.00 N ATOM 687 CA ALA A 46 6.697 -2.664 -1.516 1.00 0.00 C ATOM 688 C ALA A 46 6.801 -3.497 -0.237 1.00 0.00 C ATOM 689 O ALA A 46 7.589 -3.178 0.653 1.00 0.00 O ATOM 690 CB ALA A 46 7.684 -3.121 -2.592 1.00 0.00 C ATOM 0 H ALA A 46 7.751 -1.096 -0.610 1.00 0.00 H new ATOM 0 HA ALA A 46 5.692 -2.800 -1.917 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.504 -4.170 -2.829 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.549 -2.518 -3.490 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.703 -3.002 -2.225 1.00 0.00 H new ATOM 696 N GLY A 47 5.997 -4.548 -0.186 1.00 0.00 N ATOM 697 CA GLY A 47 5.989 -5.429 0.969 1.00 0.00 C ATOM 698 C GLY A 47 4.895 -6.492 0.841 1.00 0.00 C ATOM 699 O GLY A 47 4.605 -6.960 -0.258 1.00 0.00 O ATOM 0 H GLY A 47 5.346 -4.810 -0.926 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.961 -5.912 1.069 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.829 -4.845 1.875 1.00 0.00 H new ATOM 703 N GLU A 48 4.317 -6.840 1.981 1.00 0.00 N ATOM 704 CA GLU A 48 3.262 -7.838 2.011 1.00 0.00 C ATOM 705 C GLU A 48 1.893 -7.160 2.094 1.00 0.00 C ATOM 706 O GLU A 48 1.728 -6.172 2.807 1.00 0.00 O ATOM 707 CB GLU A 48 3.462 -8.815 3.173 1.00 0.00 C ATOM 708 CG GLU A 48 4.140 -10.100 2.697 1.00 0.00 C ATOM 709 CD GLU A 48 5.642 -10.067 2.986 1.00 0.00 C ATOM 710 OE1 GLU A 48 6.330 -9.262 2.322 1.00 0.00 O ATOM 711 OE2 GLU A 48 6.069 -10.848 3.864 1.00 0.00 O ATOM 0 H GLU A 48 4.560 -6.448 2.891 1.00 0.00 H new ATOM 0 HA GLU A 48 3.306 -8.413 1.086 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.068 -8.345 3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.498 -9.053 3.623 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.689 -10.959 3.194 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.975 -10.228 1.627 1.00 0.00 H new ATOM 718 N LEU A 49 0.946 -7.720 1.355 1.00 0.00 N ATOM 719 CA LEU A 49 -0.405 -7.181 1.336 1.00 0.00 C ATOM 720 C LEU A 49 -1.408 -8.335 1.282 1.00 0.00 C ATOM 721 O LEU A 49 -1.037 -9.494 1.456 1.00 0.00 O ATOM 722 CB LEU A 49 -0.563 -6.173 0.196 1.00 0.00 C ATOM 723 CG LEU A 49 -0.241 -4.717 0.538 1.00 0.00 C ATOM 724 CD1 LEU A 49 -0.389 -3.819 -0.692 1.00 0.00 C ATOM 725 CD2 LEU A 49 -1.093 -4.228 1.711 1.00 0.00 C ATOM 0 H LEU A 49 1.087 -8.540 0.766 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.608 -6.625 2.251 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.080 -6.483 -0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.590 -6.222 -0.166 1.00 0.00 H new ATOM 0 HG LEU A 49 0.801 -4.662 0.853 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.154 -2.790 -0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.295 -4.154 -1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.413 -3.873 -1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.844 -3.190 1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.149 -4.300 1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.894 -4.845 2.587 1.00 0.00 H new ATOM 737 N THR A 50 -2.660 -7.976 1.039 1.00 0.00 N ATOM 738 CA THR A 50 -3.720 -8.967 0.959 1.00 0.00 C ATOM 739 C THR A 50 -4.936 -8.390 0.230 1.00 0.00 C ATOM 740 O THR A 50 -4.896 -7.259 -0.251 1.00 0.00 O ATOM 741 CB THR A 50 -4.032 -9.440 2.381 1.00 0.00 C ATOM 742 OG1 THR A 50 -3.083 -8.753 3.192 1.00 0.00 O ATOM 743 CG2 THR A 50 -3.702 -10.918 2.592 1.00 0.00 C ATOM 0 H THR A 50 -2.964 -7.013 0.895 1.00 0.00 H new ATOM 0 HA THR A 50 -3.410 -9.832 0.373 1.00 0.00 H new ATOM 0 HB THR A 50 -5.087 -9.270 2.596 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.215 -9.001 4.131 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.942 -11.202 3.617 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.288 -11.524 1.901 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.640 -11.083 2.409 1.00 0.00 H new ATOM 751 N PRO A 51 -6.014 -9.216 0.170 1.00 0.00 N ATOM 752 CA PRO A 51 -7.238 -8.800 -0.494 1.00 0.00 C ATOM 753 C PRO A 51 -8.012 -7.796 0.363 1.00 0.00 C ATOM 754 O PRO A 51 -8.700 -6.925 -0.165 1.00 0.00 O ATOM 755 CB PRO A 51 -8.008 -10.087 -0.741 1.00 0.00 C ATOM 756 CG PRO A 51 -7.409 -11.119 0.201 1.00 0.00 C ATOM 757 CD PRO A 51 -6.096 -10.562 0.728 1.00 0.00 C ATOM 0 HA PRO A 51 -7.051 -8.277 -1.432 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.071 -9.950 -0.545 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.914 -10.405 -1.779 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.093 -11.327 1.024 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.242 -12.061 -0.321 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.084 -10.540 1.818 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.251 -11.174 0.412 1.00 0.00 H new ATOM 765 N GLN A 52 -7.872 -7.951 1.672 1.00 0.00 N ATOM 766 CA GLN A 52 -8.549 -7.068 2.606 1.00 0.00 C ATOM 767 C GLN A 52 -7.954 -5.660 2.532 1.00 0.00 C ATOM 768 O GLN A 52 -8.676 -4.690 2.304 1.00 0.00 O ATOM 769 CB GLN A 52 -8.475 -7.620 4.031 1.00 0.00 C ATOM 770 CG GLN A 52 -9.396 -6.836 4.970 1.00 0.00 C ATOM 771 CD GLN A 52 -8.595 -6.156 6.082 1.00 0.00 C ATOM 772 OE1 GLN A 52 -8.698 -4.963 6.316 1.00 0.00 O ATOM 773 NE2 GLN A 52 -7.794 -6.980 6.752 1.00 0.00 N ATOM 0 H GLN A 52 -7.300 -8.675 2.107 1.00 0.00 H new ATOM 0 HA GLN A 52 -9.601 -7.011 2.326 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.758 -8.673 4.033 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.448 -7.566 4.393 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.946 -6.086 4.402 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.133 -7.509 5.407 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.756 -7.969 6.504 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.217 -6.623 7.514 1.00 0.00 H new ATOM 782 N SER A 53 -6.646 -5.593 2.728 1.00 0.00 N ATOM 783 CA SER A 53 -5.947 -4.320 2.686 1.00 0.00 C ATOM 784 C SER A 53 -6.234 -3.609 1.362 1.00 0.00 C ATOM 785 O SER A 53 -6.413 -2.392 1.332 1.00 0.00 O ATOM 786 CB SER A 53 -4.440 -4.512 2.870 1.00 0.00 C ATOM 787 OG SER A 53 -4.033 -4.281 4.216 1.00 0.00 O ATOM 0 H SER A 53 -6.051 -6.400 2.916 1.00 0.00 H new ATOM 0 HA SER A 53 -6.310 -3.703 3.508 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.165 -5.525 2.577 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.904 -3.832 2.207 1.00 0.00 H new ATOM 0 HG SER A 53 -3.771 -5.130 4.629 1.00 0.00 H new ATOM 793 N LEU A 54 -6.267 -4.398 0.299 1.00 0.00 N ATOM 794 CA LEU A 54 -6.528 -3.860 -1.025 1.00 0.00 C ATOM 795 C LEU A 54 -7.798 -3.006 -0.982 1.00 0.00 C ATOM 796 O LEU A 54 -7.724 -1.778 -0.999 1.00 0.00 O ATOM 797 CB LEU A 54 -6.580 -4.985 -2.061 1.00 0.00 C ATOM 798 CG LEU A 54 -5.269 -5.286 -2.790 1.00 0.00 C ATOM 799 CD1 LEU A 54 -5.536 -5.883 -4.173 1.00 0.00 C ATOM 800 CD2 LEU A 54 -4.385 -4.040 -2.865 1.00 0.00 C ATOM 0 H LEU A 54 -6.117 -5.407 0.327 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.713 -3.207 -1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.913 -5.896 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.336 -4.733 -2.804 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.723 -6.034 -2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.588 -6.088 -4.670 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.098 -6.811 -4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.113 -5.176 -4.769 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.460 -4.281 -3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.911 -3.252 -3.404 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.153 -3.697 -1.857 1.00 0.00 H new ATOM 812 N THR A 55 -8.931 -3.689 -0.929 1.00 0.00 N ATOM 813 CA THR A 55 -10.214 -3.009 -0.883 1.00 0.00 C ATOM 814 C THR A 55 -10.123 -1.757 -0.008 1.00 0.00 C ATOM 815 O THR A 55 -10.844 -0.785 -0.229 1.00 0.00 O ATOM 816 CB THR A 55 -11.265 -4.011 -0.403 1.00 0.00 C ATOM 817 OG1 THR A 55 -11.207 -5.062 -1.364 1.00 0.00 O ATOM 818 CG2 THR A 55 -12.691 -3.470 -0.528 1.00 0.00 C ATOM 0 H THR A 55 -8.988 -4.707 -0.917 1.00 0.00 H new ATOM 0 HA THR A 55 -10.509 -2.656 -1.871 1.00 0.00 H new ATOM 0 HB THR A 55 -11.067 -4.274 0.636 1.00 0.00 H new ATOM 0 HG1 THR A 55 -11.856 -5.757 -1.128 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.397 -4.221 -0.174 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.791 -2.566 0.072 1.00 0.00 H new ATOM 0 HG23 THR A 55 -12.902 -3.237 -1.572 1.00 0.00 H new ATOM 826 N LYS A 56 -9.230 -1.821 0.969 1.00 0.00 N ATOM 827 CA LYS A 56 -9.036 -0.706 1.880 1.00 0.00 C ATOM 828 C LYS A 56 -8.729 0.558 1.073 1.00 0.00 C ATOM 829 O LYS A 56 -9.566 1.455 0.976 1.00 0.00 O ATOM 830 CB LYS A 56 -7.967 -1.045 2.921 1.00 0.00 C ATOM 831 CG LYS A 56 -8.308 -0.426 4.279 1.00 0.00 C ATOM 832 CD LYS A 56 -7.704 0.973 4.410 1.00 0.00 C ATOM 833 CE LYS A 56 -6.175 0.913 4.405 1.00 0.00 C ATOM 834 NZ LYS A 56 -5.606 2.151 4.984 1.00 0.00 N ATOM 0 H LYS A 56 -8.633 -2.628 1.149 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.948 -0.512 2.444 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.882 -2.127 3.021 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.997 -0.679 2.584 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.390 -0.371 4.396 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.932 -1.065 5.079 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.050 1.601 3.588 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.050 1.437 5.333 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.837 0.048 4.976 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.814 0.782 3.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.568 2.094 4.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.914 2.970 4.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.936 2.260 5.964 1.00 0.00 H new ATOM 848 N PHE A 57 -7.528 0.588 0.515 1.00 0.00 N ATOM 849 CA PHE A 57 -7.101 1.727 -0.280 1.00 0.00 C ATOM 850 C PHE A 57 -7.427 1.515 -1.760 1.00 0.00 C ATOM 851 O PHE A 57 -7.052 2.327 -2.605 1.00 0.00 O ATOM 852 CB PHE A 57 -5.584 1.843 -0.117 1.00 0.00 C ATOM 853 CG PHE A 57 -4.843 0.508 -0.221 1.00 0.00 C ATOM 854 CD1 PHE A 57 -4.627 -0.057 -1.439 1.00 0.00 C ATOM 855 CD2 PHE A 57 -4.399 -0.113 0.905 1.00 0.00 C ATOM 856 CE1 PHE A 57 -3.939 -1.294 -1.536 1.00 0.00 C ATOM 857 CE2 PHE A 57 -3.711 -1.351 0.809 1.00 0.00 C ATOM 858 CZ PHE A 57 -3.496 -1.915 -0.410 1.00 0.00 C ATOM 0 H PHE A 57 -6.837 -0.158 0.598 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.616 2.628 0.054 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.198 2.521 -0.878 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.366 2.293 0.852 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.979 0.436 -2.333 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.570 0.336 1.872 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.767 -1.742 -2.503 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.359 -1.844 1.703 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.973 -2.857 -0.484 1.00 0.00 H new ATOM 868 N GLN A 58 -8.123 0.420 -2.030 1.00 0.00 N ATOM 869 CA GLN A 58 -8.504 0.092 -3.392 1.00 0.00 C ATOM 870 C GLN A 58 -9.873 0.691 -3.719 1.00 0.00 C ATOM 871 O GLN A 58 -10.860 0.401 -3.044 1.00 0.00 O ATOM 872 CB GLN A 58 -8.501 -1.422 -3.613 1.00 0.00 C ATOM 873 CG GLN A 58 -7.080 -1.941 -3.838 1.00 0.00 C ATOM 874 CD GLN A 58 -6.808 -2.169 -5.327 1.00 0.00 C ATOM 875 OE1 GLN A 58 -6.383 -1.282 -6.049 1.00 0.00 O ATOM 876 NE2 GLN A 58 -7.079 -3.403 -5.742 1.00 0.00 N ATOM 0 H GLN A 58 -8.433 -0.251 -1.327 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.768 0.526 -4.069 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -8.941 -1.920 -2.749 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.122 -1.669 -4.474 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.361 -1.226 -3.439 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.939 -2.874 -3.292 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -7.433 -4.097 -5.083 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.933 -3.656 -6.719 1.00 0.00 H new ATOM 885 N GLY A 59 -9.891 1.516 -4.757 1.00 0.00 N ATOM 886 CA GLY A 59 -11.123 2.158 -5.182 1.00 0.00 C ATOM 887 C GLY A 59 -11.071 3.666 -4.926 1.00 0.00 C ATOM 888 O GLY A 59 -11.513 4.456 -5.759 1.00 0.00 O ATOM 0 H GLY A 59 -9.071 1.754 -5.316 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.288 1.971 -6.243 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.967 1.723 -4.647 1.00 0.00 H new ATOM 892 N LEU A 60 -10.527 4.020 -3.771 1.00 0.00 N ATOM 893 CA LEU A 60 -10.412 5.419 -3.396 1.00 0.00 C ATOM 894 C LEU A 60 -9.241 6.050 -4.151 1.00 0.00 C ATOM 895 O LEU A 60 -8.967 7.240 -3.996 1.00 0.00 O ATOM 896 CB LEU A 60 -10.312 5.559 -1.876 1.00 0.00 C ATOM 897 CG LEU A 60 -8.954 6.011 -1.333 1.00 0.00 C ATOM 898 CD1 LEU A 60 -8.867 7.538 -1.275 1.00 0.00 C ATOM 899 CD2 LEU A 60 -8.665 5.369 0.026 1.00 0.00 C ATOM 0 H LEU A 60 -10.161 3.362 -3.083 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.309 5.967 -3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.069 6.271 -1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.560 4.598 -1.425 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.181 5.670 -2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.892 7.832 -0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.997 7.948 -2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.650 7.922 -0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.694 5.707 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.439 5.658 0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.656 4.284 -0.079 1.00 0.00 H new ATOM 911 N GLN A 61 -8.582 5.226 -4.952 1.00 0.00 N ATOM 912 CA GLN A 61 -7.446 5.689 -5.732 1.00 0.00 C ATOM 913 C GLN A 61 -7.715 7.092 -6.280 1.00 0.00 C ATOM 914 O GLN A 61 -8.868 7.505 -6.399 1.00 0.00 O ATOM 915 CB GLN A 61 -7.123 4.711 -6.862 1.00 0.00 C ATOM 916 CG GLN A 61 -6.734 3.339 -6.307 1.00 0.00 C ATOM 917 CD GLN A 61 -7.360 2.216 -7.135 1.00 0.00 C ATOM 918 OE1 GLN A 61 -7.956 1.286 -6.617 1.00 0.00 O ATOM 919 NE2 GLN A 61 -7.191 2.352 -8.447 1.00 0.00 N ATOM 0 H GLN A 61 -8.813 4.240 -5.078 1.00 0.00 H new ATOM 0 HA GLN A 61 -6.575 5.737 -5.078 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -7.988 4.610 -7.518 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.308 5.106 -7.468 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.649 3.236 -6.309 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.060 3.256 -5.270 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.681 3.155 -8.815 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.571 1.653 -9.085 1.00 0.00 H new ATOM 928 N GLY A 62 -6.633 7.786 -6.598 1.00 0.00 N ATOM 929 CA GLY A 62 -6.738 9.134 -7.132 1.00 0.00 C ATOM 930 C GLY A 62 -6.773 10.167 -6.004 1.00 0.00 C ATOM 931 O GLY A 62 -6.500 11.346 -6.229 1.00 0.00 O ATOM 0 H GLY A 62 -5.679 7.441 -6.496 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.892 9.336 -7.789 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.640 9.220 -7.738 1.00 0.00 H new ATOM 935 N ASP A 63 -7.112 9.689 -4.816 1.00 0.00 N ATOM 936 CA ASP A 63 -7.186 10.557 -3.654 1.00 0.00 C ATOM 937 C ASP A 63 -6.165 10.097 -2.612 1.00 0.00 C ATOM 938 O ASP A 63 -5.974 10.756 -1.590 1.00 0.00 O ATOM 939 CB ASP A 63 -8.574 10.500 -3.011 1.00 0.00 C ATOM 940 CG ASP A 63 -9.095 11.836 -2.476 1.00 0.00 C ATOM 941 OD1 ASP A 63 -8.287 12.544 -1.838 1.00 0.00 O ATOM 942 OD2 ASP A 63 -10.288 12.117 -2.719 1.00 0.00 O ATOM 0 H ASP A 63 -7.339 8.711 -4.633 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.981 11.576 -3.982 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.283 10.119 -3.746 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.549 9.782 -2.191 1.00 0.00 H new ATOM 947 N LEU A 64 -5.533 8.970 -2.907 1.00 0.00 N ATOM 948 CA LEU A 64 -4.536 8.414 -2.009 1.00 0.00 C ATOM 949 C LEU A 64 -3.604 7.492 -2.797 1.00 0.00 C ATOM 950 O LEU A 64 -2.386 7.666 -2.773 1.00 0.00 O ATOM 951 CB LEU A 64 -5.209 7.734 -0.815 1.00 0.00 C ATOM 952 CG LEU A 64 -4.474 6.527 -0.229 1.00 0.00 C ATOM 953 CD1 LEU A 64 -3.151 6.950 0.414 1.00 0.00 C ATOM 954 CD2 LEU A 64 -5.368 5.762 0.750 1.00 0.00 C ATOM 0 H LEU A 64 -5.693 8.427 -3.756 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.919 9.207 -1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.338 8.474 -0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.206 7.415 -1.118 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.233 5.845 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.648 6.073 0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.514 7.416 -0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.347 7.662 1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.821 4.909 1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.662 6.422 1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.259 5.410 0.230 1.00 0.00 H new ATOM 966 N ILE A 65 -4.211 6.530 -3.477 1.00 0.00 N ATOM 967 CA ILE A 65 -3.451 5.580 -4.272 1.00 0.00 C ATOM 968 C ILE A 65 -3.285 6.126 -5.691 1.00 0.00 C ATOM 969 O ILE A 65 -4.268 6.319 -6.405 1.00 0.00 O ATOM 970 CB ILE A 65 -4.101 4.196 -4.217 1.00 0.00 C ATOM 971 CG1 ILE A 65 -4.125 3.657 -2.786 1.00 0.00 C ATOM 972 CG2 ILE A 65 -3.412 3.229 -5.183 1.00 0.00 C ATOM 973 CD1 ILE A 65 -2.709 3.559 -2.214 1.00 0.00 C ATOM 0 H ILE A 65 -5.221 6.388 -3.494 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.450 5.453 -3.861 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.137 4.292 -4.541 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.731 4.310 -2.158 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.596 2.674 -2.771 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.893 2.252 -5.125 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.492 3.613 -6.200 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.360 3.132 -4.913 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.754 3.173 -1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.113 2.886 -2.831 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.250 4.548 -2.207 1.00 0.00 H new ATOM 985 N ASP A 66 -2.033 6.361 -6.058 1.00 0.00 N ATOM 986 CA ASP A 66 -1.726 6.881 -7.379 1.00 0.00 C ATOM 987 C ASP A 66 -1.635 5.719 -8.372 1.00 0.00 C ATOM 988 O ASP A 66 -1.949 5.879 -9.550 1.00 0.00 O ATOM 989 CB ASP A 66 -0.382 7.612 -7.384 1.00 0.00 C ATOM 990 CG ASP A 66 -0.400 8.994 -8.041 1.00 0.00 C ATOM 991 OD1 ASP A 66 -1.511 9.558 -8.144 1.00 0.00 O ATOM 992 OD2 ASP A 66 0.696 9.455 -8.424 1.00 0.00 O ATOM 0 H ASP A 66 -1.220 6.201 -5.463 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.517 7.577 -7.660 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.040 7.720 -6.355 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.351 6.991 -7.899 1.00 0.00 H new ATOM 997 N SER A 67 -1.204 4.576 -7.857 1.00 0.00 N ATOM 998 CA SER A 67 -1.069 3.389 -8.684 1.00 0.00 C ATOM 999 C SER A 67 -0.900 2.152 -7.799 1.00 0.00 C ATOM 1000 O SER A 67 -0.132 2.172 -6.838 1.00 0.00 O ATOM 1001 CB SER A 67 0.114 3.519 -9.645 1.00 0.00 C ATOM 1002 OG SER A 67 -0.024 4.640 -10.513 1.00 0.00 O ATOM 0 H SER A 67 -0.944 4.447 -6.879 1.00 0.00 H new ATOM 0 HA SER A 67 -1.976 3.282 -9.279 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.037 3.615 -9.073 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.200 2.609 -10.239 1.00 0.00 H new ATOM 0 HG SER A 67 -0.968 4.895 -10.570 1.00 0.00 H new ATOM 1008 N ILE A 68 -1.631 1.105 -8.155 1.00 0.00 N ATOM 1009 CA ILE A 68 -1.572 -0.138 -7.405 1.00 0.00 C ATOM 1010 C ILE A 68 -0.979 -1.235 -8.291 1.00 0.00 C ATOM 1011 O ILE A 68 -1.246 -1.281 -9.490 1.00 0.00 O ATOM 1012 CB ILE A 68 -2.948 -0.486 -6.834 1.00 0.00 C ATOM 1013 CG1 ILE A 68 -2.832 -1.004 -5.399 1.00 0.00 C ATOM 1014 CG2 ILE A 68 -3.685 -1.471 -7.742 1.00 0.00 C ATOM 1015 CD1 ILE A 68 -3.085 0.116 -4.389 1.00 0.00 C ATOM 0 H ILE A 68 -2.267 1.092 -8.953 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.913 -0.032 -6.543 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.544 0.426 -6.799 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.549 -1.810 -5.241 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.839 -1.425 -5.240 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.660 -1.702 -7.313 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.818 -1.027 -8.728 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.103 -2.388 -7.833 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.996 -0.280 -3.377 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.352 0.909 -4.534 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.088 0.518 -4.535 1.00 0.00 H new ATOM 1027 N GLU A 69 -0.185 -2.091 -7.664 1.00 0.00 N ATOM 1028 CA GLU A 69 0.449 -3.185 -8.381 1.00 0.00 C ATOM 1029 C GLU A 69 0.360 -4.476 -7.565 1.00 0.00 C ATOM 1030 O GLU A 69 1.379 -5.010 -7.128 1.00 0.00 O ATOM 1031 CB GLU A 69 1.902 -2.850 -8.721 1.00 0.00 C ATOM 1032 CG GLU A 69 2.361 -3.602 -9.972 1.00 0.00 C ATOM 1033 CD GLU A 69 3.627 -2.973 -10.556 1.00 0.00 C ATOM 1034 OE1 GLU A 69 4.682 -3.101 -9.897 1.00 0.00 O ATOM 1035 OE2 GLU A 69 3.513 -2.378 -11.649 1.00 0.00 O ATOM 0 H GLU A 69 0.034 -2.049 -6.669 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.083 -3.334 -9.320 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.004 -1.776 -8.880 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.545 -3.110 -7.880 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.551 -4.646 -9.724 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.567 -3.591 -10.719 1.00 0.00 H new ATOM 1042 N GLU A 70 -0.867 -4.942 -7.383 1.00 0.00 N ATOM 1043 CA GLU A 70 -1.102 -6.159 -6.627 1.00 0.00 C ATOM 1044 C GLU A 70 -0.484 -7.359 -7.348 1.00 0.00 C ATOM 1045 O GLU A 70 -0.595 -7.480 -8.567 1.00 0.00 O ATOM 1046 CB GLU A 70 -2.597 -6.376 -6.386 1.00 0.00 C ATOM 1047 CG GLU A 70 -3.385 -6.261 -7.692 1.00 0.00 C ATOM 1048 CD GLU A 70 -4.162 -7.548 -7.979 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -3.580 -8.628 -7.737 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -5.320 -7.422 -8.433 1.00 0.00 O ATOM 0 H GLU A 70 -1.710 -4.497 -7.747 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.622 -6.057 -5.654 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.759 -7.359 -5.945 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.964 -5.641 -5.670 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.076 -5.421 -7.631 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.702 -6.053 -8.516 1.00 0.00 H new ATOM 1057 N ASP A 71 0.154 -8.217 -6.564 1.00 0.00 N ATOM 1058 CA ASP A 71 0.790 -9.402 -7.112 1.00 0.00 C ATOM 1059 C ASP A 71 0.475 -10.603 -6.219 1.00 0.00 C ATOM 1060 O ASP A 71 1.128 -11.641 -6.316 1.00 0.00 O ATOM 1061 CB ASP A 71 2.310 -9.237 -7.165 1.00 0.00 C ATOM 1062 CG ASP A 71 3.007 -10.023 -8.277 1.00 0.00 C ATOM 1063 OD1 ASP A 71 2.278 -10.683 -9.050 1.00 0.00 O ATOM 1064 OD2 ASP A 71 4.254 -9.949 -8.329 1.00 0.00 O ATOM 0 H ASP A 71 0.244 -8.114 -5.553 1.00 0.00 H new ATOM 0 HA ASP A 71 0.409 -9.553 -8.122 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.541 -8.179 -7.288 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.728 -9.545 -6.206 1.00 0.00 H new ATOM 1069 N GLY A 72 -0.525 -10.422 -5.369 1.00 0.00 N ATOM 1070 CA GLY A 72 -0.935 -11.479 -4.459 1.00 0.00 C ATOM 1071 C GLY A 72 -1.751 -12.546 -5.190 1.00 0.00 C ATOM 1072 O GLY A 72 -1.284 -13.668 -5.381 1.00 0.00 O ATOM 0 H GLY A 72 -1.064 -9.559 -5.291 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.055 -11.936 -4.007 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.527 -11.056 -3.648 1.00 0.00 H new