USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 720 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 36 TYR OH : rot 30:sc= -0.57 USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.0273 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 1:sc= 0.234 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 38 SER OG : rot 10:sc= -0.412 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 166:sc= 0.0404 (180deg=0.015) USER MOD Single : A 50 MET CE :methyl 172:sc= -0.992 (180deg=-1.04) USER MOD Single : A 53 HIS : no HE2:sc= -1.71 X(o=-1.7,f=-1.8) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HE2:sc= 0.649 K(o=0.65,f=-5.6!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 150:sc= -2.15 USER MOD Single : A 70 ASN : amide:sc= -0.806 K(o=-0.81,f=-5.5!) USER MOD Single : A 82 LYS NZ :NH3+ 169:sc=-0.000426 (180deg=-0.0894) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.823 -6.605 20.675 1.00 0.00 N ATOM 2 CA GLY A 1 -8.311 -5.263 20.418 1.00 0.00 C ATOM 3 C GLY A 1 -7.391 -4.477 19.505 1.00 0.00 C ATOM 4 O GLY A 1 -6.703 -5.052 18.662 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.619 -7.274 20.652 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.129 -6.868 19.946 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.371 -6.637 21.611 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.302 -5.320 19.968 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.420 -4.732 21.364 1.00 0.00 H new ATOM 8 N SER A 2 -7.380 -3.158 19.671 1.00 0.00 N ATOM 9 CA SER A 2 -6.542 -2.291 18.851 1.00 0.00 C ATOM 10 C SER A 2 -6.361 -0.928 19.512 1.00 0.00 C ATOM 11 O SER A 2 -7.090 -0.573 20.438 1.00 0.00 O ATOM 12 CB SER A 2 -7.157 -2.119 17.461 1.00 0.00 C ATOM 13 OG SER A 2 -8.427 -1.494 17.538 1.00 0.00 O ATOM 0 H SER A 2 -7.942 -2.667 20.366 1.00 0.00 H new ATOM 0 HA SER A 2 -5.563 -2.760 18.752 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.492 -1.522 16.837 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.256 -3.093 16.981 1.00 0.00 H new ATOM 0 HG SER A 2 -8.798 -1.394 16.636 1.00 0.00 H new ATOM 19 N SER A 3 -5.384 -0.168 19.028 1.00 0.00 N ATOM 20 CA SER A 3 -5.103 1.155 19.573 1.00 0.00 C ATOM 21 C SER A 3 -4.403 2.031 18.539 1.00 0.00 C ATOM 22 O SER A 3 -4.101 1.585 17.433 1.00 0.00 O ATOM 23 CB SER A 3 -4.237 1.039 20.829 1.00 0.00 C ATOM 24 OG SER A 3 -4.921 0.342 21.857 1.00 0.00 O ATOM 0 H SER A 3 -4.774 -0.446 18.259 1.00 0.00 H new ATOM 0 HA SER A 3 -6.052 1.621 19.836 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.309 0.520 20.588 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.964 2.034 21.180 1.00 0.00 H new ATOM 0 HG SER A 3 -5.807 0.072 21.536 1.00 0.00 H new ATOM 30 N GLY A 4 -4.148 3.283 18.908 1.00 0.00 N ATOM 31 CA GLY A 4 -3.485 4.203 18.002 1.00 0.00 C ATOM 32 C GLY A 4 -2.673 5.253 18.734 1.00 0.00 C ATOM 33 O GLY A 4 -2.421 5.129 19.932 1.00 0.00 O ATOM 0 H GLY A 4 -4.389 3.676 19.818 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.831 3.642 17.334 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.231 4.695 17.378 1.00 0.00 H new ATOM 37 N SER A 5 -2.261 6.290 18.011 1.00 0.00 N ATOM 38 CA SER A 5 -1.467 7.363 18.597 1.00 0.00 C ATOM 39 C SER A 5 -1.929 8.724 18.083 1.00 0.00 C ATOM 40 O SER A 5 -2.673 8.810 17.106 1.00 0.00 O ATOM 41 CB SER A 5 0.016 7.162 18.281 1.00 0.00 C ATOM 42 OG SER A 5 0.267 7.318 16.895 1.00 0.00 O ATOM 0 H SER A 5 -2.464 6.409 17.019 1.00 0.00 H new ATOM 0 HA SER A 5 -1.607 7.335 19.678 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.612 7.880 18.845 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.328 6.168 18.601 1.00 0.00 H new ATOM 0 HG SER A 5 1.222 7.186 16.719 1.00 0.00 H new ATOM 48 N SER A 6 -1.481 9.784 18.747 1.00 0.00 N ATOM 49 CA SER A 6 -1.850 11.140 18.360 1.00 0.00 C ATOM 50 C SER A 6 -0.611 11.964 18.021 1.00 0.00 C ATOM 51 O SER A 6 0.474 11.721 18.547 1.00 0.00 O ATOM 52 CB SER A 6 -2.635 11.818 19.485 1.00 0.00 C ATOM 53 OG SER A 6 -3.381 12.919 18.994 1.00 0.00 O ATOM 0 H SER A 6 -0.862 9.730 19.556 1.00 0.00 H new ATOM 0 HA SER A 6 -2.479 11.080 17.472 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.308 11.097 19.949 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.947 12.157 20.260 1.00 0.00 H new ATOM 0 HG SER A 6 -3.875 13.334 19.731 1.00 0.00 H new ATOM 59 N GLY A 7 -0.783 12.942 17.136 1.00 0.00 N ATOM 60 CA GLY A 7 0.328 13.788 16.740 1.00 0.00 C ATOM 61 C GLY A 7 0.485 13.873 15.235 1.00 0.00 C ATOM 62 O GLY A 7 -0.473 14.169 14.521 1.00 0.00 O ATOM 0 H GLY A 7 -1.672 13.163 16.687 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.180 14.790 17.144 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.249 13.401 17.177 1.00 0.00 H new ATOM 66 N MET A 8 1.695 13.614 14.752 1.00 0.00 N ATOM 67 CA MET A 8 1.973 13.663 13.321 1.00 0.00 C ATOM 68 C MET A 8 1.232 12.552 12.585 1.00 0.00 C ATOM 69 O MET A 8 1.623 11.387 12.645 1.00 0.00 O ATOM 70 CB MET A 8 3.477 13.544 13.068 1.00 0.00 C ATOM 71 CG MET A 8 4.254 14.804 13.415 1.00 0.00 C ATOM 72 SD MET A 8 5.955 14.757 12.820 1.00 0.00 S ATOM 73 CE MET A 8 6.810 15.555 14.176 1.00 0.00 C ATOM 0 H MET A 8 2.499 13.368 15.330 1.00 0.00 H new ATOM 0 HA MET A 8 1.623 14.623 12.941 1.00 0.00 H new ATOM 0 HB2 MET A 8 3.871 12.712 13.652 1.00 0.00 H new ATOM 0 HB3 MET A 8 3.642 13.303 12.018 1.00 0.00 H new ATOM 0 HG2 MET A 8 3.747 15.668 12.986 1.00 0.00 H new ATOM 0 HG3 MET A 8 4.255 14.939 14.497 1.00 0.00 H new ATOM 0 HE1 MET A 8 7.877 15.602 13.956 1.00 0.00 H new ATOM 0 HE2 MET A 8 6.422 16.565 14.307 1.00 0.00 H new ATOM 0 HE3 MET A 8 6.653 14.985 15.091 1.00 0.00 H new ATOM 83 N SER A 9 0.161 12.921 11.890 1.00 0.00 N ATOM 84 CA SER A 9 -0.637 11.955 11.145 1.00 0.00 C ATOM 85 C SER A 9 -0.034 11.698 9.767 1.00 0.00 C ATOM 86 O SER A 9 0.160 10.551 9.365 1.00 0.00 O ATOM 87 CB SER A 9 -2.076 12.454 10.999 1.00 0.00 C ATOM 88 OG SER A 9 -2.779 12.348 12.224 1.00 0.00 O ATOM 0 H SER A 9 -0.174 13.882 11.827 1.00 0.00 H new ATOM 0 HA SER A 9 -0.639 11.018 11.702 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.072 13.492 10.667 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.589 11.875 10.231 1.00 0.00 H new ATOM 0 HG SER A 9 -3.695 12.675 12.105 1.00 0.00 H new ATOM 94 N LYS A 10 0.262 12.776 9.048 1.00 0.00 N ATOM 95 CA LYS A 10 0.845 12.671 7.716 1.00 0.00 C ATOM 96 C LYS A 10 1.781 11.470 7.625 1.00 0.00 C ATOM 97 O LYS A 10 1.442 10.449 7.027 1.00 0.00 O ATOM 98 CB LYS A 10 1.605 13.952 7.367 1.00 0.00 C ATOM 99 CG LYS A 10 0.748 15.204 7.430 1.00 0.00 C ATOM 100 CD LYS A 10 -0.311 15.211 6.340 1.00 0.00 C ATOM 101 CE LYS A 10 -1.454 16.155 6.680 1.00 0.00 C ATOM 102 NZ LYS A 10 -1.012 17.577 6.700 1.00 0.00 N ATOM 0 H LYS A 10 0.107 13.733 9.366 1.00 0.00 H new ATOM 0 HA LYS A 10 0.034 12.532 7.001 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.446 14.063 8.051 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.020 13.856 6.364 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.267 15.268 8.406 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.382 16.085 7.329 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.141 15.511 5.394 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.700 14.202 6.202 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.254 16.034 5.950 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.867 15.889 7.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.820 18.188 6.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.266 17.699 7.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.641 17.839 5.764 1.00 0.00 H new ATOM 116 N LYS A 11 2.961 11.600 8.222 1.00 0.00 N ATOM 117 CA LYS A 11 3.947 10.525 8.212 1.00 0.00 C ATOM 118 C LYS A 11 3.334 9.220 8.708 1.00 0.00 C ATOM 119 O LYS A 11 2.372 9.211 9.477 1.00 0.00 O ATOM 120 CB LYS A 11 5.149 10.900 9.081 1.00 0.00 C ATOM 121 CG LYS A 11 5.923 12.100 8.564 1.00 0.00 C ATOM 122 CD LYS A 11 7.370 12.072 9.027 1.00 0.00 C ATOM 123 CE LYS A 11 8.279 12.815 8.060 1.00 0.00 C ATOM 124 NZ LYS A 11 9.550 13.241 8.710 1.00 0.00 N ATOM 0 H LYS A 11 3.258 12.440 8.719 1.00 0.00 H new ATOM 0 HA LYS A 11 4.281 10.381 7.184 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.803 11.110 10.093 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.822 10.045 9.145 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.889 12.114 7.475 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.447 13.018 8.910 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.445 12.522 10.017 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.703 11.038 9.120 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.504 12.174 7.208 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.758 13.690 7.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.142 13.744 8.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.337 13.873 9.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.060 12.404 9.058 1.00 0.00 H new ATOM 138 N PRO A 12 3.903 8.090 8.262 1.00 0.00 N ATOM 139 CA PRO A 12 3.430 6.758 8.651 1.00 0.00 C ATOM 140 C PRO A 12 3.721 6.443 10.114 1.00 0.00 C ATOM 141 O PRO A 12 4.874 6.343 10.534 1.00 0.00 O ATOM 142 CB PRO A 12 4.219 5.820 7.734 1.00 0.00 C ATOM 143 CG PRO A 12 5.455 6.578 7.390 1.00 0.00 C ATOM 144 CD PRO A 12 5.053 8.026 7.345 1.00 0.00 C ATOM 0 HA PRO A 12 2.349 6.664 8.551 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.457 4.882 8.237 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.648 5.567 6.841 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.234 6.412 8.134 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.857 6.254 6.430 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.863 8.678 7.671 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.780 8.336 6.336 1.00 0.00 H new ATOM 152 N PRO A 13 2.654 6.283 10.910 1.00 0.00 N ATOM 153 CA PRO A 13 2.770 5.976 12.338 1.00 0.00 C ATOM 154 C PRO A 13 3.290 4.564 12.587 1.00 0.00 C ATOM 155 O PRO A 13 3.374 3.752 11.667 1.00 0.00 O ATOM 156 CB PRO A 13 1.334 6.114 12.849 1.00 0.00 C ATOM 157 CG PRO A 13 0.481 5.860 11.655 1.00 0.00 C ATOM 158 CD PRO A 13 1.251 6.389 10.476 1.00 0.00 C ATOM 0 HA PRO A 13 3.480 6.633 12.839 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.126 5.398 13.644 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.154 7.107 13.260 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.276 4.796 11.541 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.482 6.362 11.749 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.063 5.802 9.577 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.978 7.419 10.247 1.00 0.00 H new ATOM 166 N ASN A 14 3.638 4.278 13.838 1.00 0.00 N ATOM 167 CA ASN A 14 4.150 2.964 14.207 1.00 0.00 C ATOM 168 C ASN A 14 3.234 1.858 13.691 1.00 0.00 C ATOM 169 O ASN A 14 2.202 1.562 14.292 1.00 0.00 O ATOM 170 CB ASN A 14 4.290 2.857 15.727 1.00 0.00 C ATOM 171 CG ASN A 14 5.539 3.545 16.243 1.00 0.00 C ATOM 172 OD1 ASN A 14 5.653 4.770 16.191 1.00 0.00 O ATOM 173 ND2 ASN A 14 6.484 2.758 16.744 1.00 0.00 N ATOM 0 H ASN A 14 3.575 4.939 14.612 1.00 0.00 H new ATOM 0 HA ASN A 14 5.131 2.842 13.748 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.413 3.298 16.202 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.313 1.806 16.014 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.347 3.164 17.106 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.347 1.748 16.767 1.00 0.00 H new ATOM 180 N ARG A 15 3.621 1.252 12.573 1.00 0.00 N ATOM 181 CA ARG A 15 2.835 0.180 11.975 1.00 0.00 C ATOM 182 C ARG A 15 3.730 -0.983 11.558 1.00 0.00 C ATOM 183 O ARG A 15 4.423 -0.932 10.541 1.00 0.00 O ATOM 184 CB ARG A 15 2.061 0.701 10.763 1.00 0.00 C ATOM 185 CG ARG A 15 0.825 1.507 11.130 1.00 0.00 C ATOM 186 CD ARG A 15 -0.184 1.529 9.993 1.00 0.00 C ATOM 187 NE ARG A 15 -1.507 1.952 10.443 1.00 0.00 N ATOM 188 CZ ARG A 15 -2.340 1.166 11.116 1.00 0.00 C ATOM 189 NH1 ARG A 15 -1.989 -0.077 11.415 1.00 0.00 N ATOM 190 NH2 ARG A 15 -3.528 1.623 11.492 1.00 0.00 N ATOM 0 H ARG A 15 4.473 1.485 12.064 1.00 0.00 H new ATOM 0 HA ARG A 15 2.128 -0.178 12.723 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.723 1.322 10.159 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.762 -0.144 10.143 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.362 1.081 12.020 1.00 0.00 H new ATOM 0 HG3 ARG A 15 1.116 2.527 11.380 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.166 2.203 9.211 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.252 0.535 9.550 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.808 2.903 10.229 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.077 -0.432 11.128 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.631 -0.678 11.932 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.802 2.579 11.264 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.167 1.019 12.009 1.00 0.00 H new ATOM 204 N PRO A 16 3.718 -2.058 12.361 1.00 0.00 N ATOM 205 CA PRO A 16 4.523 -3.253 12.096 1.00 0.00 C ATOM 206 C PRO A 16 4.023 -4.032 10.884 1.00 0.00 C ATOM 207 O PRO A 16 3.328 -5.038 11.023 1.00 0.00 O ATOM 208 CB PRO A 16 4.356 -4.084 13.371 1.00 0.00 C ATOM 209 CG PRO A 16 3.052 -3.643 13.941 1.00 0.00 C ATOM 210 CD PRO A 16 2.917 -2.188 13.589 1.00 0.00 C ATOM 0 HA PRO A 16 5.559 -3.003 11.866 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.351 -5.151 13.150 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.174 -3.907 14.069 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.228 -4.223 13.525 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.030 -3.787 15.021 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.876 -1.910 13.421 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.294 -1.545 14.385 1.00 0.00 H new ATOM 218 N GLY A 17 4.382 -3.560 9.694 1.00 0.00 N ATOM 219 CA GLY A 17 3.961 -4.225 8.474 1.00 0.00 C ATOM 220 C GLY A 17 3.829 -3.267 7.307 1.00 0.00 C ATOM 221 O GLY A 17 4.604 -3.332 6.352 1.00 0.00 O ATOM 0 H GLY A 17 4.957 -2.729 9.553 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.681 -5.003 8.221 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.004 -4.719 8.645 1.00 0.00 H new ATOM 225 N ILE A 18 2.846 -2.377 7.383 1.00 0.00 N ATOM 226 CA ILE A 18 2.615 -1.402 6.324 1.00 0.00 C ATOM 227 C ILE A 18 3.594 -0.238 6.426 1.00 0.00 C ATOM 228 O ILE A 18 3.938 0.205 7.523 1.00 0.00 O ATOM 229 CB ILE A 18 1.176 -0.854 6.367 1.00 0.00 C ATOM 230 CG1 ILE A 18 0.186 -1.982 6.663 1.00 0.00 C ATOM 231 CG2 ILE A 18 0.831 -0.170 5.052 1.00 0.00 C ATOM 232 CD1 ILE A 18 -1.255 -1.525 6.707 1.00 0.00 C ATOM 0 H ILE A 18 2.197 -2.311 8.167 1.00 0.00 H new ATOM 0 HA ILE A 18 2.769 -1.921 5.378 1.00 0.00 H new ATOM 0 HB ILE A 18 1.107 -0.117 7.167 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.290 -2.755 5.902 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.443 -2.439 7.619 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.189 0.212 5.097 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.521 0.656 4.880 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.914 -0.888 4.236 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.900 -2.377 6.921 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.375 -0.773 7.487 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.530 -1.095 5.744 1.00 0.00 H new ATOM 244 N THR A 19 4.039 0.258 5.275 1.00 0.00 N ATOM 245 CA THR A 19 4.978 1.372 5.234 1.00 0.00 C ATOM 246 C THR A 19 4.717 2.266 4.028 1.00 0.00 C ATOM 247 O THR A 19 5.041 1.909 2.896 1.00 0.00 O ATOM 248 CB THR A 19 6.435 0.876 5.187 1.00 0.00 C ATOM 249 OG1 THR A 19 6.759 0.189 6.400 1.00 0.00 O ATOM 250 CG2 THR A 19 7.395 2.039 4.984 1.00 0.00 C ATOM 0 H THR A 19 3.764 -0.095 4.358 1.00 0.00 H new ATOM 0 HA THR A 19 4.828 1.947 6.148 1.00 0.00 H new ATOM 0 HB THR A 19 6.536 0.191 4.345 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.687 -0.124 6.361 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.418 1.665 4.954 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.164 2.541 4.045 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.291 2.745 5.808 1.00 0.00 H new ATOM 258 N PHE A 20 4.129 3.432 4.278 1.00 0.00 N ATOM 259 CA PHE A 20 3.825 4.378 3.211 1.00 0.00 C ATOM 260 C PHE A 20 5.105 4.899 2.564 1.00 0.00 C ATOM 261 O PHE A 20 5.803 5.738 3.133 1.00 0.00 O ATOM 262 CB PHE A 20 3.004 5.548 3.758 1.00 0.00 C ATOM 263 CG PHE A 20 1.858 5.121 4.629 1.00 0.00 C ATOM 264 CD1 PHE A 20 1.095 4.012 4.300 1.00 0.00 C ATOM 265 CD2 PHE A 20 1.544 5.828 5.779 1.00 0.00 C ATOM 266 CE1 PHE A 20 0.039 3.618 5.100 1.00 0.00 C ATOM 267 CE2 PHE A 20 0.489 5.438 6.583 1.00 0.00 C ATOM 268 CZ PHE A 20 -0.263 4.330 6.243 1.00 0.00 C ATOM 0 H PHE A 20 3.854 3.744 5.209 1.00 0.00 H new ATOM 0 HA PHE A 20 3.242 3.856 2.452 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.659 6.205 4.330 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.617 6.132 2.923 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.328 3.449 3.408 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.130 6.694 6.050 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.550 2.753 4.831 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.253 5.999 7.475 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.086 4.022 6.871 1.00 0.00 H new ATOM 278 N GLU A 21 5.406 4.394 1.372 1.00 0.00 N ATOM 279 CA GLU A 21 6.602 4.807 0.648 1.00 0.00 C ATOM 280 C GLU A 21 6.356 4.802 -0.858 1.00 0.00 C ATOM 281 O GLU A 21 5.253 4.502 -1.316 1.00 0.00 O ATOM 282 CB GLU A 21 7.774 3.883 0.987 1.00 0.00 C ATOM 283 CG GLU A 21 8.570 4.330 2.202 1.00 0.00 C ATOM 284 CD GLU A 21 9.936 3.677 2.277 1.00 0.00 C ATOM 285 OE1 GLU A 21 10.845 4.115 1.541 1.00 0.00 O ATOM 286 OE2 GLU A 21 10.097 2.727 3.072 1.00 0.00 O ATOM 0 H GLU A 21 4.838 3.699 0.888 1.00 0.00 H new ATOM 0 HA GLU A 21 6.848 5.823 0.955 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.393 2.877 1.163 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.441 3.826 0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.690 5.413 2.175 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.009 4.094 3.106 1.00 0.00 H new ATOM 293 N ILE A 22 7.390 5.138 -1.622 1.00 0.00 N ATOM 294 CA ILE A 22 7.287 5.172 -3.075 1.00 0.00 C ATOM 295 C ILE A 22 7.672 3.829 -3.686 1.00 0.00 C ATOM 296 O ILE A 22 8.841 3.445 -3.679 1.00 0.00 O ATOM 297 CB ILE A 22 8.180 6.273 -3.677 1.00 0.00 C ATOM 298 CG1 ILE A 22 7.708 7.653 -3.216 1.00 0.00 C ATOM 299 CG2 ILE A 22 8.176 6.186 -5.196 1.00 0.00 C ATOM 300 CD1 ILE A 22 6.222 7.873 -3.392 1.00 0.00 C ATOM 0 H ILE A 22 8.309 5.391 -1.258 1.00 0.00 H new ATOM 0 HA ILE A 22 6.246 5.390 -3.312 1.00 0.00 H new ATOM 0 HB ILE A 22 9.201 6.124 -3.326 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.964 7.783 -2.165 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.249 8.418 -3.773 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.811 6.970 -5.607 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.555 5.212 -5.506 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.158 6.313 -5.565 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.958 8.872 -3.044 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.962 7.775 -4.446 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.673 7.131 -2.813 1.00 0.00 H new ATOM 312 N GLY A 23 6.680 3.119 -4.216 1.00 0.00 N ATOM 313 CA GLY A 23 6.936 1.827 -4.825 1.00 0.00 C ATOM 314 C GLY A 23 6.641 0.675 -3.886 1.00 0.00 C ATOM 315 O GLY A 23 6.702 -0.489 -4.282 1.00 0.00 O ATOM 0 H GLY A 23 5.704 3.416 -4.234 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.327 1.725 -5.723 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.978 1.777 -5.140 1.00 0.00 H new ATOM 319 N ALA A 24 6.321 0.998 -2.637 1.00 0.00 N ATOM 320 CA ALA A 24 6.014 -0.019 -1.639 1.00 0.00 C ATOM 321 C ALA A 24 4.838 -0.884 -2.080 1.00 0.00 C ATOM 322 O ALA A 24 3.858 -0.382 -2.631 1.00 0.00 O ATOM 323 CB ALA A 24 5.720 0.631 -0.296 1.00 0.00 C ATOM 0 H ALA A 24 6.268 1.957 -2.292 1.00 0.00 H new ATOM 0 HA ALA A 24 6.886 -0.664 -1.534 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.492 -0.141 0.440 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.591 1.199 0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.866 1.301 -0.395 1.00 0.00 H new ATOM 329 N ARG A 25 4.942 -2.186 -1.835 1.00 0.00 N ATOM 330 CA ARG A 25 3.888 -3.121 -2.208 1.00 0.00 C ATOM 331 C ARG A 25 3.003 -3.450 -1.009 1.00 0.00 C ATOM 332 O ARG A 25 3.458 -4.051 -0.035 1.00 0.00 O ATOM 333 CB ARG A 25 4.493 -4.405 -2.777 1.00 0.00 C ATOM 334 CG ARG A 25 5.477 -4.165 -3.910 1.00 0.00 C ATOM 335 CD ARG A 25 6.273 -5.420 -4.233 1.00 0.00 C ATOM 336 NE ARG A 25 5.407 -6.566 -4.493 1.00 0.00 N ATOM 337 CZ ARG A 25 5.026 -7.428 -3.556 1.00 0.00 C ATOM 338 NH1 ARG A 25 5.433 -7.273 -2.304 1.00 0.00 N ATOM 339 NH2 ARG A 25 4.236 -8.446 -3.872 1.00 0.00 N ATOM 0 H ARG A 25 5.746 -2.617 -1.379 1.00 0.00 H new ATOM 0 HA ARG A 25 3.272 -2.648 -2.973 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.999 -4.944 -1.976 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.689 -5.048 -3.136 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.937 -3.837 -4.798 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.160 -3.361 -3.636 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.902 -5.236 -5.104 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.939 -5.650 -3.402 1.00 0.00 H new ATOM 0 HE ARG A 25 5.076 -6.713 -5.446 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.040 -6.491 -2.058 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.139 -7.936 -1.586 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.921 -8.567 -4.834 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.944 -9.107 -3.152 1.00 0.00 H new ATOM 353 N LEU A 26 1.738 -3.052 -1.087 1.00 0.00 N ATOM 354 CA LEU A 26 0.789 -3.304 -0.008 1.00 0.00 C ATOM 355 C LEU A 26 -0.590 -3.644 -0.564 1.00 0.00 C ATOM 356 O LEU A 26 -0.773 -3.741 -1.777 1.00 0.00 O ATOM 357 CB LEU A 26 0.695 -2.085 0.911 1.00 0.00 C ATOM 358 CG LEU A 26 0.366 -0.756 0.230 1.00 0.00 C ATOM 359 CD1 LEU A 26 1.570 -0.239 -0.542 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.834 -0.912 -0.692 1.00 0.00 C ATOM 0 H LEU A 26 1.346 -2.554 -1.886 1.00 0.00 H new ATOM 0 HA LEU A 26 1.149 -4.157 0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.066 -2.282 1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.644 -1.976 1.436 1.00 0.00 H new ATOM 0 HG LEU A 26 0.115 -0.027 1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.317 0.707 -1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.404 -0.088 0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.853 -0.966 -1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.054 0.044 -1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.611 -1.656 -1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.698 -1.236 -0.112 1.00 0.00 H new ATOM 372 N GLU A 27 -1.556 -3.822 0.332 1.00 0.00 N ATOM 373 CA GLU A 27 -2.919 -4.149 -0.071 1.00 0.00 C ATOM 374 C GLU A 27 -3.852 -2.963 0.155 1.00 0.00 C ATOM 375 O GLU A 27 -3.583 -2.098 0.987 1.00 0.00 O ATOM 376 CB GLU A 27 -3.425 -5.366 0.706 1.00 0.00 C ATOM 377 CG GLU A 27 -2.728 -6.662 0.329 1.00 0.00 C ATOM 378 CD GLU A 27 -3.062 -7.801 1.273 1.00 0.00 C ATOM 379 OE1 GLU A 27 -2.371 -7.937 2.305 1.00 0.00 O ATOM 380 OE2 GLU A 27 -4.013 -8.555 0.981 1.00 0.00 O ATOM 0 H GLU A 27 -1.420 -3.745 1.340 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.910 -4.384 -1.135 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.289 -5.187 1.773 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.496 -5.476 0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.012 -6.941 -0.686 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.650 -6.502 0.326 1.00 0.00 H new ATOM 387 N ALA A 28 -4.950 -2.931 -0.593 1.00 0.00 N ATOM 388 CA ALA A 28 -5.925 -1.854 -0.474 1.00 0.00 C ATOM 389 C ALA A 28 -7.342 -2.405 -0.365 1.00 0.00 C ATOM 390 O ALA A 28 -7.670 -3.427 -0.969 1.00 0.00 O ATOM 391 CB ALA A 28 -5.814 -0.908 -1.661 1.00 0.00 C ATOM 0 H ALA A 28 -5.187 -3.639 -1.288 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.708 -1.300 0.440 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.548 -0.109 -1.559 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.812 -0.479 -1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.002 -1.458 -2.583 1.00 0.00 H new ATOM 397 N LEU A 29 -8.179 -1.723 0.409 1.00 0.00 N ATOM 398 CA LEU A 29 -9.563 -2.145 0.598 1.00 0.00 C ATOM 399 C LEU A 29 -10.500 -1.368 -0.322 1.00 0.00 C ATOM 400 O LEU A 29 -10.713 -0.170 -0.138 1.00 0.00 O ATOM 401 CB LEU A 29 -9.983 -1.948 2.056 1.00 0.00 C ATOM 402 CG LEU A 29 -11.262 -2.665 2.488 1.00 0.00 C ATOM 403 CD1 LEU A 29 -10.976 -4.125 2.804 1.00 0.00 C ATOM 404 CD2 LEU A 29 -11.882 -1.969 3.691 1.00 0.00 C ATOM 0 H LEU A 29 -7.924 -0.875 0.916 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.631 -3.203 0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.168 -2.284 2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.110 -0.880 2.236 1.00 0.00 H new ATOM 0 HG LEU A 29 -11.974 -2.626 1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.899 -4.619 3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.577 -4.618 1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.247 -4.186 3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.792 -2.492 3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.175 -1.976 4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -12.124 -0.939 3.430 1.00 0.00 H new ATOM 416 N ASP A 30 -11.056 -2.059 -1.311 1.00 0.00 N ATOM 417 CA ASP A 30 -11.973 -1.435 -2.258 1.00 0.00 C ATOM 418 C ASP A 30 -13.386 -1.374 -1.686 1.00 0.00 C ATOM 419 O ASP A 30 -13.708 -2.070 -0.723 1.00 0.00 O ATOM 420 CB ASP A 30 -11.977 -2.205 -3.579 1.00 0.00 C ATOM 421 CG ASP A 30 -11.754 -3.692 -3.384 1.00 0.00 C ATOM 422 OD1 ASP A 30 -10.635 -4.076 -2.985 1.00 0.00 O ATOM 423 OD2 ASP A 30 -12.699 -4.472 -3.630 1.00 0.00 O ATOM 0 H ASP A 30 -10.888 -3.051 -1.478 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.630 -0.417 -2.441 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.929 -2.047 -4.085 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.199 -1.806 -4.231 1.00 0.00 H new ATOM 428 N TYR A 31 -14.225 -0.537 -2.286 1.00 0.00 N ATOM 429 CA TYR A 31 -15.603 -0.382 -1.834 1.00 0.00 C ATOM 430 C TYR A 31 -16.235 -1.738 -1.537 1.00 0.00 C ATOM 431 O TYR A 31 -17.186 -1.837 -0.761 1.00 0.00 O ATOM 432 CB TYR A 31 -16.428 0.358 -2.889 1.00 0.00 C ATOM 433 CG TYR A 31 -17.862 -0.112 -2.975 1.00 0.00 C ATOM 434 CD1 TYR A 31 -18.175 -1.362 -3.496 1.00 0.00 C ATOM 435 CD2 TYR A 31 -18.905 0.694 -2.536 1.00 0.00 C ATOM 436 CE1 TYR A 31 -19.484 -1.795 -3.577 1.00 0.00 C ATOM 437 CE2 TYR A 31 -20.217 0.269 -2.612 1.00 0.00 C ATOM 438 CZ TYR A 31 -20.502 -0.976 -3.133 1.00 0.00 C ATOM 439 OH TYR A 31 -21.808 -1.403 -3.212 1.00 0.00 O ATOM 0 H TYR A 31 -13.975 0.044 -3.086 1.00 0.00 H new ATOM 0 HA TYR A 31 -15.593 0.203 -0.914 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -16.417 1.425 -2.664 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -15.954 0.232 -3.863 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -17.381 -2.006 -3.844 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -18.686 1.670 -2.128 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -19.710 -2.769 -3.985 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -21.016 0.908 -2.265 1.00 0.00 H new ATOM 0 HH TYR A 31 -22.401 -0.709 -2.857 1.00 0.00 H new ATOM 449 N LEU A 32 -15.700 -2.782 -2.161 1.00 0.00 N ATOM 450 CA LEU A 32 -16.209 -4.135 -1.964 1.00 0.00 C ATOM 451 C LEU A 32 -15.614 -4.764 -0.709 1.00 0.00 C ATOM 452 O LEU A 32 -15.639 -5.983 -0.543 1.00 0.00 O ATOM 453 CB LEU A 32 -15.891 -5.003 -3.183 1.00 0.00 C ATOM 454 CG LEU A 32 -16.235 -4.399 -4.545 1.00 0.00 C ATOM 455 CD1 LEU A 32 -15.625 -5.227 -5.665 1.00 0.00 C ATOM 456 CD2 LEU A 32 -17.744 -4.296 -4.717 1.00 0.00 C ATOM 0 H LEU A 32 -14.914 -2.717 -2.808 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.290 -4.075 -1.840 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.826 -5.237 -3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.426 -5.947 -3.081 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.814 -3.395 -4.592 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.880 -4.782 -6.627 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.541 -5.250 -5.552 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.016 -6.244 -5.620 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -17.970 -3.864 -5.692 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -18.187 -5.290 -4.649 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -18.157 -3.660 -3.934 1.00 0.00 H new ATOM 468 N GLN A 33 -15.082 -3.923 0.173 1.00 0.00 N ATOM 469 CA GLN A 33 -14.483 -4.397 1.414 1.00 0.00 C ATOM 470 C GLN A 33 -13.569 -5.591 1.157 1.00 0.00 C ATOM 471 O GLN A 33 -13.341 -6.415 2.042 1.00 0.00 O ATOM 472 CB GLN A 33 -15.572 -4.782 2.417 1.00 0.00 C ATOM 473 CG GLN A 33 -16.538 -3.650 2.729 1.00 0.00 C ATOM 474 CD GLN A 33 -17.303 -3.875 4.019 1.00 0.00 C ATOM 475 OE1 GLN A 33 -17.657 -5.005 4.355 1.00 0.00 O ATOM 476 NE2 GLN A 33 -17.563 -2.796 4.749 1.00 0.00 N ATOM 0 H GLN A 33 -15.054 -2.911 0.051 1.00 0.00 H new ATOM 0 HA GLN A 33 -13.885 -3.587 1.830 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -16.133 -5.630 2.024 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -15.101 -5.113 3.343 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -15.984 -2.714 2.798 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -17.244 -3.543 1.906 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -17.250 -1.878 4.432 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -18.075 -2.885 5.627 1.00 0.00 H new ATOM 485 N LYS A 34 -13.047 -5.678 -0.062 1.00 0.00 N ATOM 486 CA LYS A 34 -12.157 -6.770 -0.438 1.00 0.00 C ATOM 487 C LYS A 34 -10.696 -6.350 -0.308 1.00 0.00 C ATOM 488 O LYS A 34 -10.382 -5.160 -0.294 1.00 0.00 O ATOM 489 CB LYS A 34 -12.444 -7.218 -1.873 1.00 0.00 C ATOM 490 CG LYS A 34 -13.694 -8.071 -2.005 1.00 0.00 C ATOM 491 CD LYS A 34 -13.468 -9.478 -1.479 1.00 0.00 C ATOM 492 CE LYS A 34 -14.560 -10.430 -1.944 1.00 0.00 C ATOM 493 NZ LYS A 34 -14.218 -11.074 -3.242 1.00 0.00 N ATOM 0 H LYS A 34 -13.225 -5.004 -0.807 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.339 -7.604 0.240 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.547 -6.337 -2.506 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.589 -7.781 -2.247 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.513 -7.604 -1.458 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.995 -8.117 -3.052 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.498 -9.842 -1.817 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.439 -9.460 -0.390 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.718 -11.199 -1.188 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -15.498 -9.885 -2.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.987 -11.715 -3.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.092 -10.342 -3.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.336 -11.615 -3.139 1.00 0.00 H new ATOM 507 N TRP A 35 -9.809 -7.334 -0.216 1.00 0.00 N ATOM 508 CA TRP A 35 -8.381 -7.065 -0.089 1.00 0.00 C ATOM 509 C TRP A 35 -7.637 -7.463 -1.359 1.00 0.00 C ATOM 510 O TRP A 35 -7.773 -8.588 -1.842 1.00 0.00 O ATOM 511 CB TRP A 35 -7.805 -7.817 1.112 1.00 0.00 C ATOM 512 CG TRP A 35 -8.415 -7.408 2.418 1.00 0.00 C ATOM 513 CD1 TRP A 35 -9.203 -8.173 3.230 1.00 0.00 C ATOM 514 CD2 TRP A 35 -8.288 -6.135 3.062 1.00 0.00 C ATOM 515 NE1 TRP A 35 -9.574 -7.452 4.340 1.00 0.00 N ATOM 516 CE2 TRP A 35 -9.025 -6.199 4.260 1.00 0.00 C ATOM 517 CE3 TRP A 35 -7.623 -4.948 2.743 1.00 0.00 C ATOM 518 CZ2 TRP A 35 -9.114 -5.122 5.138 1.00 0.00 C ATOM 519 CZ3 TRP A 35 -7.712 -3.880 3.614 1.00 0.00 C ATOM 520 CH2 TRP A 35 -8.452 -3.972 4.800 1.00 0.00 C ATOM 0 H TRP A 35 -10.053 -8.324 -0.227 1.00 0.00 H new ATOM 0 HA TRP A 35 -8.250 -5.994 0.065 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -7.956 -8.887 0.968 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.729 -7.650 1.154 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.492 -9.194 3.029 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -10.162 -7.794 5.100 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -7.050 -4.867 1.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -9.684 -5.191 6.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -7.202 -2.958 3.377 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -8.501 -3.119 5.461 1.00 0.00 H new ATOM 531 N TYR A 36 -6.852 -6.536 -1.894 1.00 0.00 N ATOM 532 CA TYR A 36 -6.088 -6.790 -3.110 1.00 0.00 C ATOM 533 C TYR A 36 -4.733 -6.091 -3.059 1.00 0.00 C ATOM 534 O TYR A 36 -4.559 -5.067 -2.398 1.00 0.00 O ATOM 535 CB TYR A 36 -6.871 -6.320 -4.337 1.00 0.00 C ATOM 536 CG TYR A 36 -8.281 -6.863 -4.401 1.00 0.00 C ATOM 537 CD1 TYR A 36 -8.531 -8.220 -4.243 1.00 0.00 C ATOM 538 CD2 TYR A 36 -9.362 -6.018 -4.617 1.00 0.00 C ATOM 539 CE1 TYR A 36 -9.817 -8.721 -4.302 1.00 0.00 C ATOM 540 CE2 TYR A 36 -10.652 -6.509 -4.676 1.00 0.00 C ATOM 541 CZ TYR A 36 -10.875 -7.861 -4.518 1.00 0.00 C ATOM 542 OH TYR A 36 -12.157 -8.356 -4.575 1.00 0.00 O ATOM 0 H TYR A 36 -6.727 -5.601 -1.505 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.919 -7.864 -3.184 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.910 -5.231 -4.337 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.334 -6.620 -5.237 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -7.706 -8.895 -4.071 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.191 -4.959 -4.741 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.994 -9.779 -4.180 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.481 -5.838 -4.845 1.00 0.00 H new ATOM 0 HH TYR A 36 -12.226 -9.153 -4.008 1.00 0.00 H new ATOM 552 N PRO A 37 -3.749 -6.657 -3.773 1.00 0.00 N ATOM 553 CA PRO A 37 -2.392 -6.105 -3.827 1.00 0.00 C ATOM 554 C PRO A 37 -2.331 -4.792 -4.599 1.00 0.00 C ATOM 555 O PRO A 37 -3.134 -4.553 -5.501 1.00 0.00 O ATOM 556 CB PRO A 37 -1.596 -7.191 -4.555 1.00 0.00 C ATOM 557 CG PRO A 37 -2.607 -7.916 -5.375 1.00 0.00 C ATOM 558 CD PRO A 37 -3.886 -7.878 -4.584 1.00 0.00 C ATOM 0 HA PRO A 37 -2.008 -5.869 -2.835 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.816 -6.758 -5.181 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.104 -7.861 -3.850 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.735 -7.440 -6.347 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.294 -8.943 -5.562 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.760 -7.833 -5.234 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.999 -8.764 -3.960 1.00 0.00 H new ATOM 566 N SER A 38 -1.373 -3.943 -4.240 1.00 0.00 N ATOM 567 CA SER A 38 -1.209 -2.652 -4.897 1.00 0.00 C ATOM 568 C SER A 38 0.142 -2.033 -4.550 1.00 0.00 C ATOM 569 O SER A 38 0.870 -2.543 -3.698 1.00 0.00 O ATOM 570 CB SER A 38 -2.337 -1.702 -4.491 1.00 0.00 C ATOM 571 OG SER A 38 -3.523 -1.980 -5.216 1.00 0.00 O ATOM 0 H SER A 38 -0.698 -4.127 -3.497 1.00 0.00 H new ATOM 0 HA SER A 38 -1.249 -2.813 -5.974 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.530 -1.797 -3.422 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.031 -0.671 -4.670 1.00 0.00 H new ATOM 0 HG SER A 38 -3.416 -2.821 -5.707 1.00 0.00 H new ATOM 577 N ARG A 39 0.469 -0.930 -5.216 1.00 0.00 N ATOM 578 CA ARG A 39 1.732 -0.242 -4.979 1.00 0.00 C ATOM 579 C ARG A 39 1.514 1.262 -4.843 1.00 0.00 C ATOM 580 O ARG A 39 0.461 1.783 -5.214 1.00 0.00 O ATOM 581 CB ARG A 39 2.713 -0.525 -6.119 1.00 0.00 C ATOM 582 CG ARG A 39 3.589 -1.743 -5.879 1.00 0.00 C ATOM 583 CD ARG A 39 4.291 -2.184 -7.154 1.00 0.00 C ATOM 584 NE ARG A 39 5.571 -2.831 -6.879 1.00 0.00 N ATOM 585 CZ ARG A 39 6.204 -3.609 -7.750 1.00 0.00 C ATOM 586 NH1 ARG A 39 5.678 -3.834 -8.947 1.00 0.00 N ATOM 587 NH2 ARG A 39 7.365 -4.163 -7.426 1.00 0.00 N ATOM 0 H ARG A 39 -0.123 -0.494 -5.923 1.00 0.00 H new ATOM 0 HA ARG A 39 2.152 -0.617 -4.046 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.152 -0.667 -7.043 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.350 0.347 -6.264 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.331 -1.514 -5.114 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.979 -2.561 -5.496 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.648 -2.872 -7.702 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.453 -1.318 -7.796 1.00 0.00 H new ATOM 0 HE ARG A 39 6.003 -2.677 -5.968 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.786 -3.409 -9.200 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.166 -4.432 -9.614 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.773 -3.992 -6.507 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.850 -4.760 -8.096 1.00 0.00 H new ATOM 601 N ILE A 40 2.515 1.954 -4.310 1.00 0.00 N ATOM 602 CA ILE A 40 2.432 3.398 -4.125 1.00 0.00 C ATOM 603 C ILE A 40 3.217 4.136 -5.205 1.00 0.00 C ATOM 604 O ILE A 40 4.444 4.215 -5.148 1.00 0.00 O ATOM 605 CB ILE A 40 2.961 3.820 -2.742 1.00 0.00 C ATOM 606 CG1 ILE A 40 1.972 3.414 -1.648 1.00 0.00 C ATOM 607 CG2 ILE A 40 3.213 5.320 -2.707 1.00 0.00 C ATOM 608 CD1 ILE A 40 2.587 3.359 -0.267 1.00 0.00 C ATOM 0 H ILE A 40 3.393 1.538 -3.999 1.00 0.00 H new ATOM 0 HA ILE A 40 1.378 3.666 -4.198 1.00 0.00 H new ATOM 0 HB ILE A 40 3.906 3.308 -2.559 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.142 4.121 -1.639 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.556 2.436 -1.891 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.587 5.603 -1.723 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.951 5.583 -3.465 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.282 5.850 -2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.828 3.065 0.458 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.398 2.631 -0.259 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.978 4.342 -0.004 1.00 0.00 H new ATOM 620 N GLU A 41 2.501 4.675 -6.186 1.00 0.00 N ATOM 621 CA GLU A 41 3.131 5.407 -7.278 1.00 0.00 C ATOM 622 C GLU A 41 3.647 6.761 -6.798 1.00 0.00 C ATOM 623 O GLU A 41 4.756 7.173 -7.140 1.00 0.00 O ATOM 624 CB GLU A 41 2.142 5.604 -8.428 1.00 0.00 C ATOM 625 CG GLU A 41 1.810 4.321 -9.172 1.00 0.00 C ATOM 626 CD GLU A 41 1.405 4.570 -10.612 1.00 0.00 C ATOM 627 OE1 GLU A 41 0.342 5.187 -10.830 1.00 0.00 O ATOM 628 OE2 GLU A 41 2.151 4.148 -11.520 1.00 0.00 O ATOM 0 H GLU A 41 1.484 4.619 -6.247 1.00 0.00 H new ATOM 0 HA GLU A 41 3.978 4.820 -7.634 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.221 6.034 -8.034 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.556 6.326 -9.132 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.676 3.659 -9.151 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.001 3.805 -8.655 1.00 0.00 H new ATOM 635 N LYS A 42 2.833 7.450 -6.005 1.00 0.00 N ATOM 636 CA LYS A 42 3.204 8.758 -5.477 1.00 0.00 C ATOM 637 C LYS A 42 2.644 8.956 -4.073 1.00 0.00 C ATOM 638 O LYS A 42 1.800 8.185 -3.617 1.00 0.00 O ATOM 639 CB LYS A 42 2.698 9.867 -6.402 1.00 0.00 C ATOM 640 CG LYS A 42 3.523 10.029 -7.667 1.00 0.00 C ATOM 641 CD LYS A 42 2.788 10.853 -8.710 1.00 0.00 C ATOM 642 CE LYS A 42 3.402 10.680 -10.091 1.00 0.00 C ATOM 643 NZ LYS A 42 4.793 11.208 -10.150 1.00 0.00 N ATOM 0 H LYS A 42 1.911 7.124 -5.714 1.00 0.00 H new ATOM 0 HA LYS A 42 4.292 8.806 -5.425 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.665 9.656 -6.677 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.696 10.811 -5.856 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.471 10.509 -7.425 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.758 9.047 -8.077 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.740 10.556 -8.737 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.814 11.906 -8.428 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.403 9.623 -10.358 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.787 11.195 -10.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.176 11.071 -11.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.789 12.222 -9.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.387 10.700 -9.464 1.00 0.00 H new ATOM 657 N ILE A 43 3.117 9.996 -3.393 1.00 0.00 N ATOM 658 CA ILE A 43 2.660 10.296 -2.042 1.00 0.00 C ATOM 659 C ILE A 43 2.714 11.795 -1.764 1.00 0.00 C ATOM 660 O ILE A 43 3.791 12.387 -1.703 1.00 0.00 O ATOM 661 CB ILE A 43 3.504 9.559 -0.986 1.00 0.00 C ATOM 662 CG1 ILE A 43 3.492 8.053 -1.252 1.00 0.00 C ATOM 663 CG2 ILE A 43 2.983 9.860 0.412 1.00 0.00 C ATOM 664 CD1 ILE A 43 4.352 7.262 -0.291 1.00 0.00 C ATOM 0 H ILE A 43 3.816 10.644 -3.756 1.00 0.00 H new ATOM 0 HA ILE A 43 1.628 9.953 -1.974 1.00 0.00 H new ATOM 0 HB ILE A 43 4.533 9.912 -1.053 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.466 7.690 -1.192 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.836 7.869 -2.270 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.590 9.332 1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.039 10.933 0.598 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.947 9.531 0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.295 6.202 -0.540 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.386 7.598 -0.367 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.995 7.415 0.727 1.00 0.00 H new ATOM 676 N ASP A 44 1.544 12.402 -1.596 1.00 0.00 N ATOM 677 CA ASP A 44 1.457 13.831 -1.322 1.00 0.00 C ATOM 678 C ASP A 44 1.435 14.096 0.180 1.00 0.00 C ATOM 679 O ASP A 44 0.455 13.791 0.860 1.00 0.00 O ATOM 680 CB ASP A 44 0.207 14.423 -1.975 1.00 0.00 C ATOM 681 CG ASP A 44 0.308 15.923 -2.165 1.00 0.00 C ATOM 682 OD1 ASP A 44 1.019 16.576 -1.373 1.00 0.00 O ATOM 683 OD2 ASP A 44 -0.324 16.445 -3.107 1.00 0.00 O ATOM 0 H ASP A 44 0.643 11.926 -1.645 1.00 0.00 H new ATOM 0 HA ASP A 44 2.340 14.311 -1.745 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.046 13.947 -2.942 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.663 14.196 -1.359 1.00 0.00 H new ATOM 688 N TYR A 45 2.522 14.663 0.692 1.00 0.00 N ATOM 689 CA TYR A 45 2.629 14.966 2.114 1.00 0.00 C ATOM 690 C TYR A 45 1.995 16.316 2.433 1.00 0.00 C ATOM 691 O TYR A 45 1.689 16.612 3.588 1.00 0.00 O ATOM 692 CB TYR A 45 4.095 14.963 2.549 1.00 0.00 C ATOM 693 CG TYR A 45 4.727 13.589 2.538 1.00 0.00 C ATOM 694 CD1 TYR A 45 5.069 12.969 1.343 1.00 0.00 C ATOM 695 CD2 TYR A 45 4.983 12.912 3.725 1.00 0.00 C ATOM 696 CE1 TYR A 45 5.646 11.713 1.329 1.00 0.00 C ATOM 697 CE2 TYR A 45 5.561 11.657 3.720 1.00 0.00 C ATOM 698 CZ TYR A 45 5.890 11.062 2.520 1.00 0.00 C ATOM 699 OH TYR A 45 6.465 9.812 2.511 1.00 0.00 O ATOM 0 H TYR A 45 3.342 14.922 0.143 1.00 0.00 H new ATOM 0 HA TYR A 45 2.092 14.194 2.665 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.662 15.620 1.890 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.168 15.379 3.554 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.881 13.477 0.409 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.726 13.375 4.666 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.904 11.244 0.391 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.754 11.145 4.651 1.00 0.00 H new ATOM 0 HH TYR A 45 6.570 9.494 3.432 1.00 0.00 H new ATOM 709 N GLU A 46 1.801 17.130 1.400 1.00 0.00 N ATOM 710 CA GLU A 46 1.204 18.450 1.570 1.00 0.00 C ATOM 711 C GLU A 46 -0.312 18.347 1.708 1.00 0.00 C ATOM 712 O GLU A 46 -0.949 19.206 2.317 1.00 0.00 O ATOM 713 CB GLU A 46 1.559 19.351 0.386 1.00 0.00 C ATOM 714 CG GLU A 46 1.042 20.773 0.526 1.00 0.00 C ATOM 715 CD GLU A 46 1.109 21.549 -0.774 1.00 0.00 C ATOM 716 OE1 GLU A 46 2.208 21.627 -1.362 1.00 0.00 O ATOM 717 OE2 GLU A 46 0.063 22.080 -1.204 1.00 0.00 O ATOM 0 H GLU A 46 2.048 16.899 0.438 1.00 0.00 H new ATOM 0 HA GLU A 46 1.606 18.888 2.484 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.643 19.377 0.272 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.153 18.914 -0.526 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.010 20.747 0.877 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.624 21.294 1.286 1.00 0.00 H new ATOM 724 N GLU A 47 -0.882 17.290 1.138 1.00 0.00 N ATOM 725 CA GLU A 47 -2.323 17.076 1.196 1.00 0.00 C ATOM 726 C GLU A 47 -2.668 15.962 2.180 1.00 0.00 C ATOM 727 O GLU A 47 -3.536 16.122 3.038 1.00 0.00 O ATOM 728 CB GLU A 47 -2.867 16.732 -0.192 1.00 0.00 C ATOM 729 CG GLU A 47 -2.974 17.931 -1.118 1.00 0.00 C ATOM 730 CD GLU A 47 -3.465 19.176 -0.406 1.00 0.00 C ATOM 731 OE1 GLU A 47 -4.581 19.138 0.153 1.00 0.00 O ATOM 732 OE2 GLU A 47 -2.734 20.189 -0.408 1.00 0.00 O ATOM 0 H GLU A 47 -0.368 16.569 0.631 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.788 18.000 1.541 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.220 15.985 -0.652 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.852 16.278 -0.085 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.998 18.131 -1.561 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.653 17.694 -1.937 1.00 0.00 H new ATOM 739 N GLY A 48 -1.982 14.830 2.049 1.00 0.00 N ATOM 740 CA GLY A 48 -2.230 13.706 2.932 1.00 0.00 C ATOM 741 C GLY A 48 -2.754 12.491 2.191 1.00 0.00 C ATOM 742 O GLY A 48 -3.431 11.644 2.773 1.00 0.00 O ATOM 0 H GLY A 48 -1.259 14.672 1.347 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.307 13.443 3.448 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.950 14.000 3.696 1.00 0.00 H new ATOM 746 N LYS A 49 -2.442 12.407 0.902 1.00 0.00 N ATOM 747 CA LYS A 49 -2.885 11.288 0.079 1.00 0.00 C ATOM 748 C LYS A 49 -1.712 10.668 -0.673 1.00 0.00 C ATOM 749 O LYS A 49 -0.587 11.162 -0.604 1.00 0.00 O ATOM 750 CB LYS A 49 -3.954 11.751 -0.914 1.00 0.00 C ATOM 751 CG LYS A 49 -3.543 12.967 -1.726 1.00 0.00 C ATOM 752 CD LYS A 49 -4.336 13.067 -3.019 1.00 0.00 C ATOM 753 CE LYS A 49 -3.647 13.976 -4.026 1.00 0.00 C ATOM 754 NZ LYS A 49 -4.304 13.923 -5.361 1.00 0.00 N ATOM 0 H LYS A 49 -1.884 13.101 0.405 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.312 10.532 0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.186 10.931 -1.594 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.869 11.981 -0.369 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.695 13.870 -1.134 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.479 12.911 -1.954 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.460 12.073 -3.449 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.335 13.449 -2.806 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.658 15.001 -3.656 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.602 13.683 -4.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.968 14.715 -5.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.069 13.024 -5.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.335 13.993 -5.244 1.00 0.00 H new ATOM 768 N MET A 50 -1.983 9.583 -1.392 1.00 0.00 N ATOM 769 CA MET A 50 -0.950 8.897 -2.159 1.00 0.00 C ATOM 770 C MET A 50 -1.556 8.154 -3.345 1.00 0.00 C ATOM 771 O MET A 50 -2.630 7.560 -3.235 1.00 0.00 O ATOM 772 CB MET A 50 -0.186 7.919 -1.265 1.00 0.00 C ATOM 773 CG MET A 50 -1.028 7.338 -0.141 1.00 0.00 C ATOM 774 SD MET A 50 -0.255 5.907 0.637 1.00 0.00 S ATOM 775 CE MET A 50 -1.548 4.681 0.451 1.00 0.00 C ATOM 0 H MET A 50 -2.909 9.160 -1.459 1.00 0.00 H new ATOM 0 HA MET A 50 -0.257 9.647 -2.540 1.00 0.00 H new ATOM 0 HB2 MET A 50 0.199 7.104 -1.878 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.676 8.430 -0.836 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.202 8.107 0.612 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.003 7.051 -0.534 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.170 3.705 0.755 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.399 4.951 1.077 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.863 4.640 -0.592 1.00 0.00 H new ATOM 785 N LEU A 51 -0.863 8.190 -4.477 1.00 0.00 N ATOM 786 CA LEU A 51 -1.334 7.519 -5.684 1.00 0.00 C ATOM 787 C LEU A 51 -1.052 6.022 -5.620 1.00 0.00 C ATOM 788 O LEU A 51 0.080 5.583 -5.825 1.00 0.00 O ATOM 789 CB LEU A 51 -0.666 8.123 -6.921 1.00 0.00 C ATOM 790 CG LEU A 51 -1.463 8.037 -8.223 1.00 0.00 C ATOM 791 CD1 LEU A 51 -0.588 8.415 -9.409 1.00 0.00 C ATOM 792 CD2 LEU A 51 -2.038 6.641 -8.405 1.00 0.00 C ATOM 0 H LEU A 51 0.027 8.676 -4.585 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.412 7.664 -5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.452 9.172 -6.718 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.292 7.626 -7.071 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.291 8.744 -8.168 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.171 8.348 -10.327 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.225 9.435 -9.283 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.260 7.733 -9.468 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.602 6.598 -9.337 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.226 5.915 -8.439 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.699 6.408 -7.570 1.00 0.00 H new ATOM 804 N VAL A 52 -2.089 5.240 -5.337 1.00 0.00 N ATOM 805 CA VAL A 52 -1.954 3.791 -5.249 1.00 0.00 C ATOM 806 C VAL A 52 -2.445 3.116 -6.525 1.00 0.00 C ATOM 807 O VAL A 52 -3.467 3.503 -7.091 1.00 0.00 O ATOM 808 CB VAL A 52 -2.736 3.226 -4.049 1.00 0.00 C ATOM 809 CG1 VAL A 52 -4.207 3.601 -4.145 1.00 0.00 C ATOM 810 CG2 VAL A 52 -2.566 1.717 -3.965 1.00 0.00 C ATOM 0 H VAL A 52 -3.033 5.586 -5.165 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.893 3.579 -5.114 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.333 3.665 -3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.743 3.193 -3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.306 4.686 -4.152 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.627 3.193 -5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.125 1.335 -3.111 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.941 1.257 -4.880 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.510 1.476 -3.844 1.00 0.00 H new ATOM 820 N HIS A 53 -1.709 2.103 -6.972 1.00 0.00 N ATOM 821 CA HIS A 53 -2.070 1.371 -8.181 1.00 0.00 C ATOM 822 C HIS A 53 -2.712 0.031 -7.834 1.00 0.00 C ATOM 823 O HIS A 53 -2.309 -0.633 -6.879 1.00 0.00 O ATOM 824 CB HIS A 53 -0.835 1.147 -9.055 1.00 0.00 C ATOM 825 CG HIS A 53 -0.884 -0.124 -9.846 1.00 0.00 C ATOM 826 ND1 HIS A 53 -1.533 -0.232 -11.058 1.00 0.00 N ATOM 827 CD2 HIS A 53 -0.357 -1.345 -9.592 1.00 0.00 C ATOM 828 CE1 HIS A 53 -1.405 -1.464 -11.515 1.00 0.00 C ATOM 829 NE2 HIS A 53 -0.695 -2.160 -10.644 1.00 0.00 N ATOM 0 H HIS A 53 -0.860 1.771 -6.515 1.00 0.00 H new ATOM 0 HA HIS A 53 -2.794 1.968 -8.735 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.727 1.988 -9.740 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.052 1.137 -8.421 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -2.034 0.522 -11.528 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.221 -1.626 -8.724 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -1.811 -1.839 -12.443 1.00 0.00 H new ATOM 837 N PHE A 54 -3.713 -0.359 -8.616 1.00 0.00 N ATOM 838 CA PHE A 54 -4.412 -1.619 -8.390 1.00 0.00 C ATOM 839 C PHE A 54 -4.053 -2.641 -9.465 1.00 0.00 C ATOM 840 O PHE A 54 -4.010 -2.319 -10.652 1.00 0.00 O ATOM 841 CB PHE A 54 -5.925 -1.391 -8.372 1.00 0.00 C ATOM 842 CG PHE A 54 -6.432 -0.828 -7.075 1.00 0.00 C ATOM 843 CD1 PHE A 54 -6.601 -1.645 -5.969 1.00 0.00 C ATOM 844 CD2 PHE A 54 -6.739 0.518 -6.962 1.00 0.00 C ATOM 845 CE1 PHE A 54 -7.066 -1.130 -4.774 1.00 0.00 C ATOM 846 CE2 PHE A 54 -7.205 1.039 -5.770 1.00 0.00 C ATOM 847 CZ PHE A 54 -7.370 0.214 -4.675 1.00 0.00 C ATOM 0 H PHE A 54 -4.058 0.179 -9.411 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.099 -2.011 -7.422 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -6.192 -0.712 -9.182 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.429 -2.337 -8.570 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -6.367 -2.697 -6.042 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -6.613 1.168 -7.815 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -7.192 -1.777 -3.919 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -7.440 2.090 -5.695 1.00 0.00 H new ATOM 0 HZ PHE A 54 -7.736 0.619 -3.743 1.00 0.00 H new ATOM 857 N GLU A 55 -3.796 -3.874 -9.039 1.00 0.00 N ATOM 858 CA GLU A 55 -3.439 -4.942 -9.965 1.00 0.00 C ATOM 859 C GLU A 55 -4.686 -5.651 -10.484 1.00 0.00 C ATOM 860 O GLU A 55 -4.750 -6.045 -11.649 1.00 0.00 O ATOM 861 CB GLU A 55 -2.512 -5.950 -9.282 1.00 0.00 C ATOM 862 CG GLU A 55 -1.457 -5.306 -8.398 1.00 0.00 C ATOM 863 CD GLU A 55 -0.177 -4.997 -9.149 1.00 0.00 C ATOM 864 OE1 GLU A 55 0.189 -5.783 -10.048 1.00 0.00 O ATOM 865 OE2 GLU A 55 0.459 -3.968 -8.838 1.00 0.00 O ATOM 0 H GLU A 55 -3.828 -4.157 -8.060 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.918 -4.496 -10.812 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.112 -6.632 -8.679 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.017 -6.551 -10.045 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.857 -4.385 -7.974 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.233 -5.970 -7.563 1.00 0.00 H new ATOM 872 N ARG A 56 -5.675 -5.811 -9.611 1.00 0.00 N ATOM 873 CA ARG A 56 -6.920 -6.475 -9.980 1.00 0.00 C ATOM 874 C ARG A 56 -7.597 -5.754 -11.142 1.00 0.00 C ATOM 875 O ARG A 56 -7.039 -4.817 -11.713 1.00 0.00 O ATOM 876 CB ARG A 56 -7.868 -6.531 -8.780 1.00 0.00 C ATOM 877 CG ARG A 56 -7.714 -7.789 -7.941 1.00 0.00 C ATOM 878 CD ARG A 56 -9.030 -8.193 -7.296 1.00 0.00 C ATOM 879 NE ARG A 56 -8.980 -9.547 -6.752 1.00 0.00 N ATOM 880 CZ ARG A 56 -10.055 -10.307 -6.573 1.00 0.00 C ATOM 881 NH1 ARG A 56 -11.257 -9.847 -6.893 1.00 0.00 N ATOM 882 NH2 ARG A 56 -9.929 -11.530 -6.074 1.00 0.00 N ATOM 0 H ARG A 56 -5.639 -5.490 -8.643 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.681 -7.491 -10.294 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.693 -5.660 -8.149 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.896 -6.466 -9.136 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.350 -8.603 -8.568 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.964 -7.622 -7.167 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.273 -7.491 -6.499 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.830 -8.128 -8.033 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.070 -9.930 -6.495 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.358 -8.908 -7.278 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.081 -10.433 -6.755 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.006 -11.888 -5.827 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.755 -12.113 -5.937 1.00 0.00 H new ATOM 896 N TRP A 57 -8.800 -6.198 -11.487 1.00 0.00 N ATOM 897 CA TRP A 57 -9.552 -5.596 -12.582 1.00 0.00 C ATOM 898 C TRP A 57 -8.835 -5.800 -13.912 1.00 0.00 C ATOM 899 O TRP A 57 -9.019 -5.028 -14.852 1.00 0.00 O ATOM 900 CB TRP A 57 -9.759 -4.102 -12.325 1.00 0.00 C ATOM 901 CG TRP A 57 -11.024 -3.798 -11.580 1.00 0.00 C ATOM 902 CD1 TRP A 57 -12.302 -3.970 -12.031 1.00 0.00 C ATOM 903 CD2 TRP A 57 -11.132 -3.266 -10.255 1.00 0.00 C ATOM 904 NE1 TRP A 57 -13.197 -3.577 -11.065 1.00 0.00 N ATOM 905 CE2 TRP A 57 -12.505 -3.142 -9.966 1.00 0.00 C ATOM 906 CE3 TRP A 57 -10.202 -2.884 -9.284 1.00 0.00 C ATOM 907 CZ2 TRP A 57 -12.968 -2.652 -8.748 1.00 0.00 C ATOM 908 CZ3 TRP A 57 -10.663 -2.398 -8.076 1.00 0.00 C ATOM 909 CH2 TRP A 57 -12.036 -2.286 -7.816 1.00 0.00 C ATOM 0 H TRP A 57 -9.276 -6.973 -11.024 1.00 0.00 H new ATOM 0 HA TRP A 57 -10.524 -6.087 -12.635 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -8.911 -3.717 -11.759 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -9.772 -3.575 -13.279 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.569 -4.358 -13.003 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -14.213 -3.605 -11.152 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -9.142 -2.967 -9.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -14.025 -2.564 -8.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -9.953 -2.099 -7.319 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -12.364 -1.903 -6.861 1.00 0.00 H new ATOM 920 N SER A 58 -8.017 -6.846 -13.984 1.00 0.00 N ATOM 921 CA SER A 58 -7.270 -7.149 -15.199 1.00 0.00 C ATOM 922 C SER A 58 -6.904 -5.870 -15.946 1.00 0.00 C ATOM 923 O SER A 58 -7.057 -5.784 -17.165 1.00 0.00 O ATOM 924 CB SER A 58 -8.086 -8.069 -16.108 1.00 0.00 C ATOM 925 OG SER A 58 -8.377 -9.297 -15.463 1.00 0.00 O ATOM 0 H SER A 58 -7.855 -7.497 -13.216 1.00 0.00 H new ATOM 0 HA SER A 58 -6.349 -7.657 -14.913 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.015 -7.574 -16.391 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.533 -8.260 -17.028 1.00 0.00 H new ATOM 0 HG SER A 58 -8.901 -9.866 -16.065 1.00 0.00 H new ATOM 931 N HIS A 59 -6.421 -4.877 -15.205 1.00 0.00 N ATOM 932 CA HIS A 59 -6.033 -3.602 -15.797 1.00 0.00 C ATOM 933 C HIS A 59 -4.963 -2.916 -14.954 1.00 0.00 C ATOM 934 O HIS A 59 -4.472 -3.480 -13.976 1.00 0.00 O ATOM 935 CB HIS A 59 -7.252 -2.689 -15.936 1.00 0.00 C ATOM 936 CG HIS A 59 -8.045 -2.934 -17.183 1.00 0.00 C ATOM 937 ND1 HIS A 59 -9.040 -3.885 -17.267 1.00 0.00 N ATOM 938 CD2 HIS A 59 -7.986 -2.345 -18.400 1.00 0.00 C ATOM 939 CE1 HIS A 59 -9.557 -3.872 -18.482 1.00 0.00 C ATOM 940 NE2 HIS A 59 -8.936 -2.945 -19.189 1.00 0.00 N ATOM 0 H HIS A 59 -6.289 -4.931 -14.195 1.00 0.00 H new ATOM 0 HA HIS A 59 -5.621 -3.799 -16.787 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -7.900 -2.827 -15.070 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -6.921 -1.651 -15.924 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -9.331 -4.502 -16.509 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -7.316 -1.551 -18.696 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -10.352 -4.511 -18.837 1.00 0.00 H new ATOM 948 N ARG A 60 -4.604 -1.696 -15.340 1.00 0.00 N ATOM 949 CA ARG A 60 -3.590 -0.934 -14.621 1.00 0.00 C ATOM 950 C ARG A 60 -4.183 0.345 -14.037 1.00 0.00 C ATOM 951 O ARG A 60 -3.526 1.385 -13.998 1.00 0.00 O ATOM 952 CB ARG A 60 -2.425 -0.589 -15.551 1.00 0.00 C ATOM 953 CG ARG A 60 -2.762 0.480 -16.578 1.00 0.00 C ATOM 954 CD ARG A 60 -3.239 -0.134 -17.885 1.00 0.00 C ATOM 955 NE ARG A 60 -2.161 -0.817 -18.595 1.00 0.00 N ATOM 956 CZ ARG A 60 -2.261 -1.244 -19.849 1.00 0.00 C ATOM 957 NH1 ARG A 60 -3.385 -1.059 -20.527 1.00 0.00 N ATOM 958 NH2 ARG A 60 -1.236 -1.857 -20.426 1.00 0.00 N ATOM 0 H ARG A 60 -5.000 -1.214 -16.147 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.222 -1.551 -13.802 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.580 -0.251 -14.951 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.106 -1.493 -16.071 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.535 1.138 -16.180 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.883 1.097 -16.764 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -4.043 -0.841 -17.681 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -3.655 0.647 -18.522 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.283 -0.975 -18.101 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.175 -0.588 -20.086 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.460 -1.388 -21.490 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.370 -2.001 -19.907 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.314 -2.184 -21.389 1.00 0.00 H new ATOM 972 N TYR A 61 -5.429 0.259 -13.584 1.00 0.00 N ATOM 973 CA TYR A 61 -6.112 1.410 -13.004 1.00 0.00 C ATOM 974 C TYR A 61 -5.463 1.822 -11.686 1.00 0.00 C ATOM 975 O TYR A 61 -4.989 0.978 -10.925 1.00 0.00 O ATOM 976 CB TYR A 61 -7.591 1.091 -12.779 1.00 0.00 C ATOM 977 CG TYR A 61 -8.494 2.300 -12.883 1.00 0.00 C ATOM 978 CD1 TYR A 61 -8.699 2.935 -14.102 1.00 0.00 C ATOM 979 CD2 TYR A 61 -9.140 2.808 -11.763 1.00 0.00 C ATOM 980 CE1 TYR A 61 -9.522 4.040 -14.201 1.00 0.00 C ATOM 981 CE2 TYR A 61 -9.965 3.911 -11.853 1.00 0.00 C ATOM 982 CZ TYR A 61 -10.153 4.524 -13.074 1.00 0.00 C ATOM 983 OH TYR A 61 -10.974 5.625 -13.168 1.00 0.00 O ATOM 0 H TYR A 61 -5.986 -0.595 -13.607 1.00 0.00 H new ATOM 0 HA TYR A 61 -6.028 2.241 -13.704 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -7.909 0.347 -13.509 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -7.711 0.642 -11.793 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.207 2.558 -14.986 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.994 2.331 -10.805 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.671 4.522 -15.156 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -10.460 4.292 -10.972 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.341 5.836 -12.284 1.00 0.00 H new ATOM 993 N ASP A 62 -5.447 3.124 -11.424 1.00 0.00 N ATOM 994 CA ASP A 62 -4.859 3.650 -10.198 1.00 0.00 C ATOM 995 C ASP A 62 -5.704 4.787 -9.634 1.00 0.00 C ATOM 996 O ASP A 62 -6.345 5.525 -10.381 1.00 0.00 O ATOM 997 CB ASP A 62 -3.433 4.138 -10.459 1.00 0.00 C ATOM 998 CG ASP A 62 -3.353 5.084 -11.642 1.00 0.00 C ATOM 999 OD1 ASP A 62 -4.071 4.851 -12.636 1.00 0.00 O ATOM 1000 OD2 ASP A 62 -2.571 6.056 -11.572 1.00 0.00 O ATOM 0 H ASP A 62 -5.835 3.835 -12.044 1.00 0.00 H new ATOM 0 HA ASP A 62 -4.830 2.845 -9.464 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.055 4.641 -9.569 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -2.785 3.280 -10.639 1.00 0.00 H new ATOM 1005 N GLU A 63 -5.699 4.922 -8.311 1.00 0.00 N ATOM 1006 CA GLU A 63 -6.467 5.969 -7.648 1.00 0.00 C ATOM 1007 C GLU A 63 -5.788 6.405 -6.353 1.00 0.00 C ATOM 1008 O GLU A 63 -5.236 5.582 -5.622 1.00 0.00 O ATOM 1009 CB GLU A 63 -7.887 5.482 -7.353 1.00 0.00 C ATOM 1010 CG GLU A 63 -8.750 6.512 -6.644 1.00 0.00 C ATOM 1011 CD GLU A 63 -9.508 7.402 -7.609 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -10.589 6.986 -8.074 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -9.019 8.514 -7.900 1.00 0.00 O ATOM 0 H GLU A 63 -5.172 4.320 -7.678 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.517 6.827 -8.319 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.368 5.201 -8.290 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.833 4.582 -6.740 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.460 6.000 -5.994 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.120 7.130 -6.004 1.00 0.00 H new ATOM 1020 N TRP A 64 -5.832 7.703 -6.077 1.00 0.00 N ATOM 1021 CA TRP A 64 -5.220 8.249 -4.871 1.00 0.00 C ATOM 1022 C TRP A 64 -6.021 7.863 -3.632 1.00 0.00 C ATOM 1023 O TRP A 64 -7.238 8.047 -3.586 1.00 0.00 O ATOM 1024 CB TRP A 64 -5.116 9.772 -4.971 1.00 0.00 C ATOM 1025 CG TRP A 64 -4.148 10.233 -6.019 1.00 0.00 C ATOM 1026 CD1 TRP A 64 -4.365 10.292 -7.366 1.00 0.00 C ATOM 1027 CD2 TRP A 64 -2.810 10.697 -5.805 1.00 0.00 C ATOM 1028 NE1 TRP A 64 -3.242 10.765 -8.002 1.00 0.00 N ATOM 1029 CE2 TRP A 64 -2.275 11.021 -7.067 1.00 0.00 C ATOM 1030 CE3 TRP A 64 -2.013 10.872 -4.670 1.00 0.00 C ATOM 1031 CZ2 TRP A 64 -0.980 11.509 -7.223 1.00 0.00 C ATOM 1032 CZ3 TRP A 64 -0.729 11.356 -4.827 1.00 0.00 C ATOM 1033 CH2 TRP A 64 -0.223 11.670 -6.095 1.00 0.00 C ATOM 0 H TRP A 64 -6.285 8.397 -6.672 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.218 7.829 -4.780 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.101 10.183 -5.191 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -4.812 10.173 -4.004 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.283 10.009 -7.859 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.145 10.903 -9.008 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.394 10.633 -3.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -0.587 11.752 -8.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.104 11.495 -3.957 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.785 12.047 -6.184 1.00 0.00 H new ATOM 1044 N ILE A 65 -5.331 7.329 -2.630 1.00 0.00 N ATOM 1045 CA ILE A 65 -5.980 6.919 -1.390 1.00 0.00 C ATOM 1046 C ILE A 65 -5.296 7.545 -0.179 1.00 0.00 C ATOM 1047 O ILE A 65 -4.074 7.491 -0.046 1.00 0.00 O ATOM 1048 CB ILE A 65 -5.975 5.386 -1.233 1.00 0.00 C ATOM 1049 CG1 ILE A 65 -6.768 4.733 -2.366 1.00 0.00 C ATOM 1050 CG2 ILE A 65 -6.550 4.991 0.119 1.00 0.00 C ATOM 1051 CD1 ILE A 65 -6.833 3.225 -2.267 1.00 0.00 C ATOM 0 H ILE A 65 -4.324 7.170 -2.652 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.011 7.268 -1.442 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.945 5.033 -1.286 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.782 5.133 -2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.317 5.007 -3.320 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.540 3.905 0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.947 5.431 0.913 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.575 5.353 0.198 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.411 2.830 -3.103 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.824 2.815 -2.297 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.312 2.942 -1.329 1.00 0.00 H new ATOM 1063 N TYR A 66 -6.094 8.138 0.702 1.00 0.00 N ATOM 1064 CA TYR A 66 -5.567 8.775 1.903 1.00 0.00 C ATOM 1065 C TYR A 66 -4.748 7.788 2.729 1.00 0.00 C ATOM 1066 O TYR A 66 -5.279 6.806 3.247 1.00 0.00 O ATOM 1067 CB TYR A 66 -6.709 9.341 2.748 1.00 0.00 C ATOM 1068 CG TYR A 66 -7.305 10.613 2.187 1.00 0.00 C ATOM 1069 CD1 TYR A 66 -6.491 11.638 1.722 1.00 0.00 C ATOM 1070 CD2 TYR A 66 -8.682 10.789 2.123 1.00 0.00 C ATOM 1071 CE1 TYR A 66 -7.031 12.802 1.209 1.00 0.00 C ATOM 1072 CE2 TYR A 66 -9.231 11.948 1.611 1.00 0.00 C ATOM 1073 CZ TYR A 66 -8.402 12.952 1.155 1.00 0.00 C ATOM 1074 OH TYR A 66 -8.944 14.109 0.645 1.00 0.00 O ATOM 0 H TYR A 66 -7.108 8.191 0.607 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.914 9.591 1.594 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.494 8.589 2.834 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.342 9.535 3.756 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.418 11.523 1.762 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.334 10.006 2.480 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.384 13.590 0.852 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.303 12.068 1.568 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.922 14.054 0.677 1.00 0.00 H new ATOM 1084 N TRP A 67 -3.453 8.057 2.847 1.00 0.00 N ATOM 1085 CA TRP A 67 -2.560 7.194 3.611 1.00 0.00 C ATOM 1086 C TRP A 67 -2.998 7.111 5.069 1.00 0.00 C ATOM 1087 O TRP A 67 -2.480 6.300 5.837 1.00 0.00 O ATOM 1088 CB TRP A 67 -1.123 7.710 3.526 1.00 0.00 C ATOM 1089 CG TRP A 67 -0.978 9.139 3.954 1.00 0.00 C ATOM 1090 CD1 TRP A 67 -1.987 10.023 4.210 1.00 0.00 C ATOM 1091 CD2 TRP A 67 0.246 9.849 4.173 1.00 0.00 C ATOM 1092 NE1 TRP A 67 -1.463 11.240 4.575 1.00 0.00 N ATOM 1093 CE2 TRP A 67 -0.096 11.159 4.561 1.00 0.00 C ATOM 1094 CE3 TRP A 67 1.597 9.504 4.081 1.00 0.00 C ATOM 1095 CZ2 TRP A 67 0.865 12.123 4.854 1.00 0.00 C ATOM 1096 CZ3 TRP A 67 2.549 10.462 4.372 1.00 0.00 C ATOM 1097 CH2 TRP A 67 2.180 11.758 4.756 1.00 0.00 C ATOM 0 H TRP A 67 -2.998 8.866 2.423 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.606 6.194 3.180 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.483 7.085 4.149 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -0.768 7.608 2.501 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -3.041 9.799 4.136 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.005 12.070 4.817 1.00 0.00 H new ATOM 0 HE3 TRP A 67 1.891 8.507 3.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 0.583 13.123 5.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.596 10.207 4.302 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.949 12.483 4.979 1.00 0.00 H new ATOM 1108 N ASP A 68 -3.954 7.953 5.444 1.00 0.00 N ATOM 1109 CA ASP A 68 -4.463 7.973 6.810 1.00 0.00 C ATOM 1110 C ASP A 68 -5.867 7.381 6.876 1.00 0.00 C ATOM 1111 O ASP A 68 -6.620 7.646 7.814 1.00 0.00 O ATOM 1112 CB ASP A 68 -4.473 9.404 7.352 1.00 0.00 C ATOM 1113 CG ASP A 68 -5.583 10.243 6.750 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -5.369 10.816 5.662 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -6.665 10.327 7.368 1.00 0.00 O ATOM 0 H ASP A 68 -4.392 8.631 4.821 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.802 7.364 7.427 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.588 9.378 8.436 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.512 9.875 7.144 1.00 0.00 H new ATOM 1120 N SER A 69 -6.213 6.579 5.875 1.00 0.00 N ATOM 1121 CA SER A 69 -7.529 5.953 5.816 1.00 0.00 C ATOM 1122 C SER A 69 -7.547 4.652 6.613 1.00 0.00 C ATOM 1123 O SER A 69 -8.597 4.212 7.080 1.00 0.00 O ATOM 1124 CB SER A 69 -7.924 5.681 4.364 1.00 0.00 C ATOM 1125 OG SER A 69 -9.331 5.714 4.202 1.00 0.00 O ATOM 0 H SER A 69 -5.600 6.347 5.093 1.00 0.00 H new ATOM 0 HA SER A 69 -8.251 6.640 6.258 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.463 6.424 3.713 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.542 4.707 4.057 1.00 0.00 H new ATOM 0 HG SER A 69 -9.549 6.016 3.295 1.00 0.00 H new ATOM 1131 N ASN A 70 -6.377 4.041 6.763 1.00 0.00 N ATOM 1132 CA ASN A 70 -6.257 2.789 7.502 1.00 0.00 C ATOM 1133 C ASN A 70 -6.997 1.663 6.788 1.00 0.00 C ATOM 1134 O ASN A 70 -7.453 0.709 7.418 1.00 0.00 O ATOM 1135 CB ASN A 70 -6.806 2.956 8.921 1.00 0.00 C ATOM 1136 CG ASN A 70 -6.144 4.099 9.666 1.00 0.00 C ATOM 1137 OD1 ASN A 70 -5.806 5.126 9.077 1.00 0.00 O ATOM 1138 ND2 ASN A 70 -5.955 3.924 10.969 1.00 0.00 N ATOM 0 H ASN A 70 -5.498 4.392 6.383 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.200 2.528 7.556 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -7.881 3.131 8.874 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.658 2.030 9.476 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.514 4.658 11.523 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.251 3.056 11.415 1.00 0.00 H new ATOM 1145 N ARG A 71 -7.111 1.780 5.469 1.00 0.00 N ATOM 1146 CA ARG A 71 -7.796 0.772 4.668 1.00 0.00 C ATOM 1147 C ARG A 71 -6.797 -0.050 3.859 1.00 0.00 C ATOM 1148 O ARG A 71 -7.160 -0.694 2.874 1.00 0.00 O ATOM 1149 CB ARG A 71 -8.806 1.435 3.730 1.00 0.00 C ATOM 1150 CG ARG A 71 -9.795 2.342 4.443 1.00 0.00 C ATOM 1151 CD ARG A 71 -10.504 3.269 3.467 1.00 0.00 C ATOM 1152 NE ARG A 71 -11.469 4.135 4.139 1.00 0.00 N ATOM 1153 CZ ARG A 71 -12.469 4.745 3.512 1.00 0.00 C ATOM 1154 NH1 ARG A 71 -12.634 4.584 2.206 1.00 0.00 N ATOM 1155 NH2 ARG A 71 -13.307 5.518 4.192 1.00 0.00 N ATOM 0 H ARG A 71 -6.738 2.563 4.932 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.326 0.103 5.346 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.267 2.016 2.982 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.356 0.660 3.196 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -10.531 1.736 4.971 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.272 2.934 5.194 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.767 3.882 2.948 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.015 2.675 2.709 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.370 4.279 5.144 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.992 3.991 1.680 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.403 5.054 1.727 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -13.183 5.644 5.197 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -14.074 5.986 3.710 1.00 0.00 H new ATOM 1169 N LEU A 72 -5.538 -0.023 4.281 1.00 0.00 N ATOM 1170 CA LEU A 72 -4.485 -0.766 3.596 1.00 0.00 C ATOM 1171 C LEU A 72 -3.847 -1.792 4.527 1.00 0.00 C ATOM 1172 O LEU A 72 -3.738 -1.566 5.733 1.00 0.00 O ATOM 1173 CB LEU A 72 -3.418 0.194 3.068 1.00 0.00 C ATOM 1174 CG LEU A 72 -3.926 1.528 2.521 1.00 0.00 C ATOM 1175 CD1 LEU A 72 -2.887 2.619 2.725 1.00 0.00 C ATOM 1176 CD2 LEU A 72 -4.285 1.399 1.048 1.00 0.00 C ATOM 0 H LEU A 72 -5.221 0.505 5.094 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.936 -1.296 2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.713 0.399 3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.862 -0.311 2.278 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.826 1.805 3.070 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.266 3.561 2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.680 2.730 3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.969 2.350 2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.645 2.358 0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.402 1.099 0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.066 0.648 0.928 1.00 0.00 H new ATOM 1188 N ARG A 73 -3.426 -2.917 3.960 1.00 0.00 N ATOM 1189 CA ARG A 73 -2.798 -3.977 4.740 1.00 0.00 C ATOM 1190 C ARG A 73 -1.392 -4.271 4.224 1.00 0.00 C ATOM 1191 O ARG A 73 -1.081 -4.072 3.050 1.00 0.00 O ATOM 1192 CB ARG A 73 -3.647 -5.248 4.690 1.00 0.00 C ATOM 1193 CG ARG A 73 -5.137 -4.992 4.846 1.00 0.00 C ATOM 1194 CD ARG A 73 -5.840 -6.170 5.501 1.00 0.00 C ATOM 1195 NE ARG A 73 -5.970 -7.305 4.592 1.00 0.00 N ATOM 1196 CZ ARG A 73 -6.323 -8.524 4.983 1.00 0.00 C ATOM 1197 NH1 ARG A 73 -6.581 -8.765 6.261 1.00 0.00 N ATOM 1198 NH2 ARG A 73 -6.420 -9.506 4.095 1.00 0.00 N ATOM 0 H ARG A 73 -3.508 -3.118 2.963 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.724 -3.638 5.773 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.471 -5.755 3.741 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.319 -5.925 5.479 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.292 -4.095 5.446 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.579 -4.802 3.868 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.284 -6.477 6.387 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.829 -5.860 5.837 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.779 -7.153 3.602 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.509 -8.013 6.946 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.852 -9.702 6.559 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.223 -9.325 3.111 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.691 -10.442 4.397 1.00 0.00 H new ATOM 1212 N PRO A 74 -0.521 -4.755 5.122 1.00 0.00 N ATOM 1213 CA PRO A 74 0.865 -5.086 4.781 1.00 0.00 C ATOM 1214 C PRO A 74 0.963 -6.312 3.880 1.00 0.00 C ATOM 1215 O PRO A 74 0.973 -7.448 4.357 1.00 0.00 O ATOM 1216 CB PRO A 74 1.507 -5.371 6.142 1.00 0.00 C ATOM 1217 CG PRO A 74 0.375 -5.791 7.014 1.00 0.00 C ATOM 1218 CD PRO A 74 -0.824 -5.017 6.540 1.00 0.00 C ATOM 0 HA PRO A 74 1.350 -4.284 4.225 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.261 -6.154 6.068 1.00 0.00 H new ATOM 0 HB3 PRO A 74 2.005 -4.486 6.538 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.201 -6.864 6.938 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.589 -5.576 8.061 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.744 -5.590 6.655 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.953 -4.092 7.101 1.00 0.00 H new ATOM 1226 N LEU A 75 1.037 -6.076 2.574 1.00 0.00 N ATOM 1227 CA LEU A 75 1.135 -7.162 1.605 1.00 0.00 C ATOM 1228 C LEU A 75 2.369 -8.019 1.870 1.00 0.00 C ATOM 1229 O LEU A 75 3.448 -7.499 2.148 1.00 0.00 O ATOM 1230 CB LEU A 75 1.186 -6.599 0.183 1.00 0.00 C ATOM 1231 CG LEU A 75 1.373 -7.623 -0.937 1.00 0.00 C ATOM 1232 CD1 LEU A 75 0.080 -8.383 -1.187 1.00 0.00 C ATOM 1233 CD2 LEU A 75 1.847 -6.938 -2.211 1.00 0.00 C ATOM 0 H LEU A 75 1.031 -5.143 2.162 1.00 0.00 H new ATOM 0 HA LEU A 75 0.251 -7.790 1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.262 -6.051 -0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.001 -5.877 0.128 1.00 0.00 H new ATOM 0 HG LEU A 75 2.135 -8.338 -0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.233 -9.107 -1.987 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.217 -8.905 -0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.704 -7.683 -1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.975 -7.681 -2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.107 -6.201 -2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.798 -6.440 -2.024 1.00 0.00 H new ATOM 1245 N GLU A 76 2.200 -9.334 1.779 1.00 0.00 N ATOM 1246 CA GLU A 76 3.301 -10.262 2.008 1.00 0.00 C ATOM 1247 C GLU A 76 4.612 -9.694 1.473 1.00 0.00 C ATOM 1248 O GLU A 76 4.717 -9.349 0.296 1.00 0.00 O ATOM 1249 CB GLU A 76 3.008 -11.609 1.344 1.00 0.00 C ATOM 1250 CG GLU A 76 2.923 -11.535 -0.172 1.00 0.00 C ATOM 1251 CD GLU A 76 2.338 -12.792 -0.785 1.00 0.00 C ATOM 1252 OE1 GLU A 76 1.148 -13.077 -0.536 1.00 0.00 O ATOM 1253 OE2 GLU A 76 3.072 -13.491 -1.516 1.00 0.00 O ATOM 0 H GLU A 76 1.312 -9.780 1.549 1.00 0.00 H new ATOM 0 HA GLU A 76 3.401 -10.409 3.083 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.788 -12.319 1.622 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.068 -12.000 1.734 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.312 -10.678 -0.457 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.919 -11.366 -0.580 1.00 0.00 H new ATOM 1260 N ARG A 77 5.609 -9.597 2.347 1.00 0.00 N ATOM 1261 CA ARG A 77 6.912 -9.069 1.965 1.00 0.00 C ATOM 1262 C ARG A 77 7.969 -10.170 1.973 1.00 0.00 C ATOM 1263 O ARG A 77 8.038 -10.991 2.887 1.00 0.00 O ATOM 1264 CB ARG A 77 7.328 -7.942 2.912 1.00 0.00 C ATOM 1265 CG ARG A 77 8.753 -7.460 2.697 1.00 0.00 C ATOM 1266 CD ARG A 77 9.168 -6.457 3.762 1.00 0.00 C ATOM 1267 NE ARG A 77 10.292 -5.632 3.328 1.00 0.00 N ATOM 1268 CZ ARG A 77 10.575 -4.443 3.849 1.00 0.00 C ATOM 1269 NH1 ARG A 77 9.821 -3.943 4.817 1.00 0.00 N ATOM 1270 NH2 ARG A 77 11.616 -3.751 3.400 1.00 0.00 N ATOM 0 H ARG A 77 5.538 -9.878 3.325 1.00 0.00 H new ATOM 0 HA ARG A 77 6.832 -8.673 0.953 1.00 0.00 H new ATOM 0 HB2 ARG A 77 6.646 -7.101 2.784 1.00 0.00 H new ATOM 0 HB3 ARG A 77 7.221 -8.286 3.941 1.00 0.00 H new ATOM 0 HG2 ARG A 77 9.433 -8.312 2.713 1.00 0.00 H new ATOM 0 HG3 ARG A 77 8.839 -7.002 1.711 1.00 0.00 H new ATOM 0 HD2 ARG A 77 8.321 -5.816 4.006 1.00 0.00 H new ATOM 0 HD3 ARG A 77 9.439 -6.988 4.674 1.00 0.00 H new ATOM 0 HE ARG A 77 10.893 -5.988 2.584 1.00 0.00 H new ATOM 0 HH11 ARG A 77 9.021 -4.471 5.164 1.00 0.00 H new ATOM 0 HH12 ARG A 77 10.041 -3.030 5.215 1.00 0.00 H new ATOM 0 HH21 ARG A 77 12.199 -4.132 2.655 1.00 0.00 H new ATOM 0 HH22 ARG A 77 11.833 -2.838 3.800 1.00 0.00 H new ATOM 1284 N PRO A 78 8.812 -10.189 0.930 1.00 0.00 N ATOM 1285 CA PRO A 78 9.880 -11.183 0.793 1.00 0.00 C ATOM 1286 C PRO A 78 10.994 -10.982 1.816 1.00 0.00 C ATOM 1287 O PRO A 78 11.129 -9.905 2.396 1.00 0.00 O ATOM 1288 CB PRO A 78 10.407 -10.947 -0.624 1.00 0.00 C ATOM 1289 CG PRO A 78 10.076 -9.524 -0.918 1.00 0.00 C ATOM 1290 CD PRO A 78 8.788 -9.240 -0.196 1.00 0.00 C ATOM 0 HA PRO A 78 9.517 -12.196 0.963 1.00 0.00 H new ATOM 0 HB2 PRO A 78 11.481 -11.124 -0.682 1.00 0.00 H new ATOM 0 HB3 PRO A 78 9.934 -11.620 -1.340 1.00 0.00 H new ATOM 0 HG2 PRO A 78 10.870 -8.860 -0.576 1.00 0.00 H new ATOM 0 HG3 PRO A 78 9.966 -9.363 -1.990 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.740 -8.207 0.150 1.00 0.00 H new ATOM 0 HD3 PRO A 78 7.923 -9.401 -0.839 1.00 0.00 H new ATOM 1298 N ALA A 79 11.790 -12.025 2.030 1.00 0.00 N ATOM 1299 CA ALA A 79 12.893 -11.961 2.981 1.00 0.00 C ATOM 1300 C ALA A 79 14.190 -11.552 2.290 1.00 0.00 C ATOM 1301 O ALA A 79 15.243 -12.148 2.521 1.00 0.00 O ATOM 1302 CB ALA A 79 13.065 -13.300 3.681 1.00 0.00 C ATOM 0 H ALA A 79 11.691 -12.924 1.558 1.00 0.00 H new ATOM 0 HA ALA A 79 12.654 -11.203 3.726 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.892 -13.237 4.388 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.149 -13.551 4.215 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.277 -14.072 2.942 1.00 0.00 H new ATOM 1308 N LEU A 80 14.107 -10.534 1.441 1.00 0.00 N ATOM 1309 CA LEU A 80 15.274 -10.046 0.715 1.00 0.00 C ATOM 1310 C LEU A 80 15.978 -8.940 1.495 1.00 0.00 C ATOM 1311 O LEU A 80 15.435 -7.850 1.672 1.00 0.00 O ATOM 1312 CB LEU A 80 14.862 -9.529 -0.665 1.00 0.00 C ATOM 1313 CG LEU A 80 15.936 -9.587 -1.752 1.00 0.00 C ATOM 1314 CD1 LEU A 80 15.326 -9.325 -3.120 1.00 0.00 C ATOM 1315 CD2 LEU A 80 17.045 -8.587 -1.459 1.00 0.00 C ATOM 0 H LEU A 80 13.244 -10.030 1.238 1.00 0.00 H new ATOM 0 HA LEU A 80 15.968 -10.877 0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 80 14.000 -10.103 -1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 80 14.535 -8.495 -0.560 1.00 0.00 H new ATOM 0 HG LEU A 80 16.368 -10.588 -1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 80 16.105 -9.370 -3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 80 14.568 -10.080 -3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 80 14.866 -8.337 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 80 17.801 -8.642 -2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 80 16.628 -7.580 -1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 80 17.502 -8.822 -0.497 1.00 0.00 H new ATOM 1327 N ARG A 81 17.190 -9.229 1.959 1.00 0.00 N ATOM 1328 CA ARG A 81 17.968 -8.259 2.719 1.00 0.00 C ATOM 1329 C ARG A 81 18.901 -7.473 1.803 1.00 0.00 C ATOM 1330 O ARG A 81 19.221 -7.912 0.699 1.00 0.00 O ATOM 1331 CB ARG A 81 18.780 -8.965 3.807 1.00 0.00 C ATOM 1332 CG ARG A 81 19.130 -8.070 4.984 1.00 0.00 C ATOM 1333 CD ARG A 81 19.675 -8.874 6.153 1.00 0.00 C ATOM 1334 NE ARG A 81 18.620 -9.594 6.862 1.00 0.00 N ATOM 1335 CZ ARG A 81 18.812 -10.237 8.008 1.00 0.00 C ATOM 1336 NH1 ARG A 81 20.012 -10.251 8.572 1.00 0.00 N ATOM 1337 NH2 ARG A 81 17.802 -10.869 8.593 1.00 0.00 N ATOM 0 H ARG A 81 17.654 -10.127 1.822 1.00 0.00 H new ATOM 0 HA ARG A 81 17.274 -7.561 3.188 1.00 0.00 H new ATOM 0 HB2 ARG A 81 18.215 -9.824 4.170 1.00 0.00 H new ATOM 0 HB3 ARG A 81 19.700 -9.351 3.369 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.869 -7.331 4.673 1.00 0.00 H new ATOM 0 HG3 ARG A 81 18.243 -7.521 5.301 1.00 0.00 H new ATOM 0 HD2 ARG A 81 20.417 -9.584 5.789 1.00 0.00 H new ATOM 0 HD3 ARG A 81 20.186 -8.205 6.846 1.00 0.00 H new ATOM 0 HE ARG A 81 17.685 -9.603 6.455 1.00 0.00 H new ATOM 0 HH11 ARG A 81 20.791 -9.767 8.126 1.00 0.00 H new ATOM 0 HH12 ARG A 81 20.156 -10.746 9.452 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.877 -10.861 8.162 1.00 0.00 H new ATOM 0 HH22 ARG A 81 17.950 -11.363 9.473 1.00 0.00 H new ATOM 1351 N LYS A 82 19.333 -6.306 2.269 1.00 0.00 N ATOM 1352 CA LYS A 82 20.230 -5.457 1.494 1.00 0.00 C ATOM 1353 C LYS A 82 20.857 -4.381 2.374 1.00 0.00 C ATOM 1354 O LYS A 82 20.178 -3.765 3.195 1.00 0.00 O ATOM 1355 CB LYS A 82 19.473 -4.805 0.335 1.00 0.00 C ATOM 1356 CG LYS A 82 20.345 -4.513 -0.874 1.00 0.00 C ATOM 1357 CD LYS A 82 19.509 -4.154 -2.091 1.00 0.00 C ATOM 1358 CE LYS A 82 18.857 -2.788 -1.938 1.00 0.00 C ATOM 1359 NZ LYS A 82 19.851 -1.684 -2.049 1.00 0.00 N ATOM 0 H LYS A 82 19.076 -5.926 3.180 1.00 0.00 H new ATOM 0 HA LYS A 82 21.027 -6.084 1.093 1.00 0.00 H new ATOM 0 HB2 LYS A 82 18.655 -5.459 0.033 1.00 0.00 H new ATOM 0 HB3 LYS A 82 19.025 -3.874 0.683 1.00 0.00 H new ATOM 0 HG2 LYS A 82 21.025 -3.693 -0.644 1.00 0.00 H new ATOM 0 HG3 LYS A 82 20.961 -5.384 -1.099 1.00 0.00 H new ATOM 0 HD2 LYS A 82 20.139 -4.160 -2.981 1.00 0.00 H new ATOM 0 HD3 LYS A 82 18.739 -4.911 -2.241 1.00 0.00 H new ATOM 0 HE2 LYS A 82 18.090 -2.664 -2.702 1.00 0.00 H new ATOM 0 HE3 LYS A 82 18.357 -2.730 -0.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 19.353 -0.775 -2.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 20.457 -1.676 -1.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 20.439 -1.830 -2.894 1.00 0.00 H new ATOM 1373 N GLU A 83 22.156 -4.160 2.196 1.00 0.00 N ATOM 1374 CA GLU A 83 22.873 -3.157 2.975 1.00 0.00 C ATOM 1375 C GLU A 83 23.638 -2.203 2.062 1.00 0.00 C ATOM 1376 O GLU A 83 24.063 -2.579 0.970 1.00 0.00 O ATOM 1377 CB GLU A 83 23.840 -3.832 3.950 1.00 0.00 C ATOM 1378 CG GLU A 83 24.278 -2.933 5.094 1.00 0.00 C ATOM 1379 CD GLU A 83 23.232 -2.828 6.186 1.00 0.00 C ATOM 1380 OE1 GLU A 83 22.092 -2.421 5.880 1.00 0.00 O ATOM 1381 OE2 GLU A 83 23.553 -3.153 7.348 1.00 0.00 O ATOM 0 H GLU A 83 22.733 -4.661 1.520 1.00 0.00 H new ATOM 0 HA GLU A 83 22.140 -2.582 3.541 1.00 0.00 H new ATOM 0 HB2 GLU A 83 23.365 -4.723 4.361 1.00 0.00 H new ATOM 0 HB3 GLU A 83 24.722 -4.164 3.402 1.00 0.00 H new ATOM 0 HG2 GLU A 83 25.205 -3.318 5.519 1.00 0.00 H new ATOM 0 HG3 GLU A 83 24.495 -1.937 4.706 1.00 0.00 H new ATOM 1388 N GLY A 84 23.809 -0.966 2.517 1.00 0.00 N ATOM 1389 CA GLY A 84 24.521 0.023 1.729 1.00 0.00 C ATOM 1390 C GLY A 84 25.173 1.088 2.588 1.00 0.00 C ATOM 1391 O GLY A 84 26.394 1.250 2.570 1.00 0.00 O ATOM 0 H GLY A 84 23.467 -0.631 3.418 1.00 0.00 H new ATOM 0 HA2 GLY A 84 25.284 -0.475 1.131 1.00 0.00 H new ATOM 0 HA3 GLY A 84 23.828 0.496 1.033 1.00 0.00 H new ATOM 1395 N LEU A 85 24.358 1.818 3.342 1.00 0.00 N ATOM 1396 CA LEU A 85 24.863 2.876 4.211 1.00 0.00 C ATOM 1397 C LEU A 85 25.923 3.708 3.497 1.00 0.00 C ATOM 1398 O LEU A 85 26.964 4.032 4.070 1.00 0.00 O ATOM 1399 CB LEU A 85 25.446 2.276 5.492 1.00 0.00 C ATOM 1400 CG LEU A 85 24.435 1.886 6.571 1.00 0.00 C ATOM 1401 CD1 LEU A 85 23.921 3.122 7.292 1.00 0.00 C ATOM 1402 CD2 LEU A 85 23.281 1.102 5.963 1.00 0.00 C ATOM 0 H LEU A 85 23.346 1.697 3.369 1.00 0.00 H new ATOM 0 HA LEU A 85 24.029 3.529 4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 85 26.022 1.390 5.225 1.00 0.00 H new ATOM 0 HB3 LEU A 85 26.145 2.994 5.920 1.00 0.00 H new ATOM 0 HG LEU A 85 24.937 1.248 7.299 1.00 0.00 H new ATOM 0 HD11 LEU A 85 23.203 2.825 8.056 1.00 0.00 H new ATOM 0 HD12 LEU A 85 24.756 3.643 7.761 1.00 0.00 H new ATOM 0 HD13 LEU A 85 23.436 3.785 6.576 1.00 0.00 H new ATOM 0 HD21 LEU A 85 22.572 0.833 6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 85 22.780 1.715 5.214 1.00 0.00 H new ATOM 0 HD23 LEU A 85 23.664 0.196 5.494 1.00 0.00 H new ATOM 1414 N LYS A 86 25.651 4.054 2.243 1.00 0.00 N ATOM 1415 CA LYS A 86 26.579 4.852 1.451 1.00 0.00 C ATOM 1416 C LYS A 86 25.921 6.146 0.983 1.00 0.00 C ATOM 1417 O LYS A 86 24.848 6.125 0.381 1.00 0.00 O ATOM 1418 CB LYS A 86 27.070 4.050 0.242 1.00 0.00 C ATOM 1419 CG LYS A 86 28.420 4.506 -0.282 1.00 0.00 C ATOM 1420 CD LYS A 86 28.764 3.831 -1.599 1.00 0.00 C ATOM 1421 CE LYS A 86 29.511 2.525 -1.378 1.00 0.00 C ATOM 1422 NZ LYS A 86 30.948 2.754 -1.064 1.00 0.00 N ATOM 0 H LYS A 86 24.795 3.794 1.753 1.00 0.00 H new ATOM 0 HA LYS A 86 27.431 5.106 2.081 1.00 0.00 H new ATOM 0 HB2 LYS A 86 27.133 2.997 0.516 1.00 0.00 H new ATOM 0 HB3 LYS A 86 26.334 4.128 -0.558 1.00 0.00 H new ATOM 0 HG2 LYS A 86 28.412 5.588 -0.418 1.00 0.00 H new ATOM 0 HG3 LYS A 86 29.192 4.283 0.455 1.00 0.00 H new ATOM 0 HD2 LYS A 86 27.849 3.638 -2.160 1.00 0.00 H new ATOM 0 HD3 LYS A 86 29.373 4.502 -2.205 1.00 0.00 H new ATOM 0 HE2 LYS A 86 29.044 1.973 -0.562 1.00 0.00 H new ATOM 0 HE3 LYS A 86 29.429 1.904 -2.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 31.422 1.839 -0.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 31.400 3.258 -1.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 31.027 3.325 -0.198 1.00 0.00 H new ATOM 1436 N ASP A 87 26.573 7.269 1.261 1.00 0.00 N ATOM 1437 CA ASP A 87 26.052 8.573 0.866 1.00 0.00 C ATOM 1438 C ASP A 87 26.510 8.937 -0.543 1.00 0.00 C ATOM 1439 O ASP A 87 25.708 9.356 -1.377 1.00 0.00 O ATOM 1440 CB ASP A 87 26.505 9.648 1.856 1.00 0.00 C ATOM 1441 CG ASP A 87 25.962 9.414 3.252 1.00 0.00 C ATOM 1442 OD1 ASP A 87 24.731 9.259 3.391 1.00 0.00 O ATOM 1443 OD2 ASP A 87 26.768 9.388 4.206 1.00 0.00 O ATOM 0 H ASP A 87 27.463 7.303 1.758 1.00 0.00 H new ATOM 0 HA ASP A 87 24.963 8.519 0.873 1.00 0.00 H new ATOM 0 HB2 ASP A 87 27.594 9.669 1.892 1.00 0.00 H new ATOM 0 HB3 ASP A 87 26.178 10.626 1.501 1.00 0.00 H new ATOM 1448 N GLU A 88 27.804 8.773 -0.800 1.00 0.00 N ATOM 1449 CA GLU A 88 28.368 9.087 -2.108 1.00 0.00 C ATOM 1450 C GLU A 88 27.767 8.192 -3.188 1.00 0.00 C ATOM 1451 O GLU A 88 27.070 8.666 -4.083 1.00 0.00 O ATOM 1452 CB GLU A 88 29.889 8.926 -2.084 1.00 0.00 C ATOM 1453 CG GLU A 88 30.347 7.479 -2.004 1.00 0.00 C ATOM 1454 CD GLU A 88 31.838 7.351 -1.759 1.00 0.00 C ATOM 1455 OE1 GLU A 88 32.344 8.001 -0.821 1.00 0.00 O ATOM 1456 OE2 GLU A 88 32.499 6.601 -2.508 1.00 0.00 O ATOM 0 H GLU A 88 28.481 8.425 -0.121 1.00 0.00 H new ATOM 0 HA GLU A 88 28.124 10.123 -2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 88 30.308 9.382 -2.981 1.00 0.00 H new ATOM 0 HB3 GLU A 88 30.290 9.473 -1.231 1.00 0.00 H new ATOM 0 HG2 GLU A 88 29.807 6.975 -1.203 1.00 0.00 H new ATOM 0 HG3 GLU A 88 30.090 6.969 -2.932 1.00 0.00 H new TER 1463 GLU A 88