USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 569 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 14 TYR OH : rot 108:sc= 0.421 USER MOD Set 1.2: A 50 GLN : amide:sc= 0.0778 X(o=0.5,f=0.39) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 30:sc= 1.16 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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -6.33! C(o=-6.3!,f=-8.2!) USER MOD Single : A 23 GLN : amide:sc= -0.0375 X(o=-0.038,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.0726 K(o=-0.073,f=-0.9) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -112:sc= 0.756 USER MOD Single : A 30 GLN : amide:sc= -0.234 K(o=-0.23,f=-2!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc=-0.00451 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -141:sc= -0.141 (180deg=-0.308) USER MOD Single : A 56 GLN : amide:sc= -0.0488 K(o=-0.049,f=-1.4) USER MOD Single : A 57 ASN : amide:sc= -1.85 K(o=-1.9,f=-2.7!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00996) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0309) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.0544 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.926 15.283 2.910 1.00 0.00 N ATOM 2 CA GLY A 1 24.036 14.050 2.152 1.00 0.00 C ATOM 3 C GLY A 1 23.856 14.268 0.663 1.00 0.00 C ATOM 4 O GLY A 1 24.406 15.213 0.096 1.00 0.00 O ATOM 0 H1 GLY A 1 24.056 15.081 3.922 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.657 15.952 2.593 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.986 15.701 2.759 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.012 13.600 2.335 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.287 13.341 2.506 1.00 0.00 H new ATOM 8 N SER A 2 23.086 13.392 0.026 1.00 0.00 N ATOM 9 CA SER A 2 22.840 13.489 -1.408 1.00 0.00 C ATOM 10 C SER A 2 21.445 12.979 -1.756 1.00 0.00 C ATOM 11 O SER A 2 21.141 11.799 -1.578 1.00 0.00 O ATOM 12 CB SER A 2 23.894 12.696 -2.183 1.00 0.00 C ATOM 13 OG SER A 2 25.184 13.255 -2.008 1.00 0.00 O ATOM 0 H SER A 2 22.621 12.606 0.481 1.00 0.00 H new ATOM 0 HA SER A 2 22.905 14.539 -1.692 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.895 11.660 -1.845 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.639 12.686 -3.243 1.00 0.00 H new ATOM 0 HG SER A 2 25.840 12.729 -2.512 1.00 0.00 H new ATOM 19 N SER A 3 20.600 13.877 -2.252 1.00 0.00 N ATOM 20 CA SER A 3 19.235 13.520 -2.622 1.00 0.00 C ATOM 21 C SER A 3 18.616 14.592 -3.514 1.00 0.00 C ATOM 22 O SER A 3 19.131 15.704 -3.616 1.00 0.00 O ATOM 23 CB SER A 3 18.379 13.326 -1.369 1.00 0.00 C ATOM 24 OG SER A 3 18.523 12.015 -0.851 1.00 0.00 O ATOM 0 H SER A 3 20.836 14.857 -2.407 1.00 0.00 H new ATOM 0 HA SER A 3 19.269 12.584 -3.179 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.668 14.054 -0.611 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.332 13.513 -1.607 1.00 0.00 H new ATOM 0 HG SER A 3 19.418 11.677 -1.061 1.00 0.00 H new ATOM 30 N GLY A 4 17.505 14.247 -4.159 1.00 0.00 N ATOM 31 CA GLY A 4 16.833 15.189 -5.034 1.00 0.00 C ATOM 32 C GLY A 4 15.336 14.960 -5.092 1.00 0.00 C ATOM 33 O GLY A 4 14.765 14.315 -4.213 1.00 0.00 O ATOM 0 H GLY A 4 17.059 13.332 -4.091 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.029 16.204 -4.689 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.249 15.108 -6.038 1.00 0.00 H new ATOM 37 N SER A 5 14.697 15.492 -6.129 1.00 0.00 N ATOM 38 CA SER A 5 13.256 15.347 -6.295 1.00 0.00 C ATOM 39 C SER A 5 12.519 15.750 -5.022 1.00 0.00 C ATOM 40 O SER A 5 11.564 15.092 -4.609 1.00 0.00 O ATOM 41 CB SER A 5 12.906 13.904 -6.666 1.00 0.00 C ATOM 42 OG SER A 5 11.661 13.838 -7.339 1.00 0.00 O ATOM 0 H SER A 5 15.155 16.027 -6.867 1.00 0.00 H new ATOM 0 HA SER A 5 12.940 16.009 -7.102 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.689 13.488 -7.301 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.869 13.292 -5.765 1.00 0.00 H new ATOM 0 HG SER A 5 11.461 12.906 -7.566 1.00 0.00 H new ATOM 48 N SER A 6 12.970 16.836 -4.402 1.00 0.00 N ATOM 49 CA SER A 6 12.357 17.326 -3.173 1.00 0.00 C ATOM 50 C SER A 6 10.949 17.849 -3.439 1.00 0.00 C ATOM 51 O SER A 6 10.515 17.940 -4.587 1.00 0.00 O ATOM 52 CB SER A 6 13.216 18.431 -2.555 1.00 0.00 C ATOM 53 OG SER A 6 13.068 19.649 -3.265 1.00 0.00 O ATOM 0 H SER A 6 13.758 17.393 -4.731 1.00 0.00 H new ATOM 0 HA SER A 6 12.290 16.493 -2.473 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.932 18.577 -1.513 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.263 18.128 -2.560 1.00 0.00 H new ATOM 0 HG SER A 6 13.626 20.340 -2.850 1.00 0.00 H new ATOM 59 N GLY A 7 10.239 18.192 -2.368 1.00 0.00 N ATOM 60 CA GLY A 7 8.888 18.701 -2.506 1.00 0.00 C ATOM 61 C GLY A 7 7.864 17.594 -2.660 1.00 0.00 C ATOM 62 O GLY A 7 8.171 16.421 -2.448 1.00 0.00 O ATOM 0 H GLY A 7 10.576 18.126 -1.408 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.639 19.303 -1.632 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.838 19.361 -3.372 1.00 0.00 H new ATOM 66 N ARG A 8 6.643 17.967 -3.029 1.00 0.00 N ATOM 67 CA ARG A 8 5.569 16.997 -3.208 1.00 0.00 C ATOM 68 C ARG A 8 4.728 17.337 -4.435 1.00 0.00 C ATOM 69 O ARG A 8 4.879 18.406 -5.028 1.00 0.00 O ATOM 70 CB ARG A 8 4.680 16.953 -1.964 1.00 0.00 C ATOM 71 CG ARG A 8 3.847 18.209 -1.766 1.00 0.00 C ATOM 72 CD ARG A 8 3.248 18.266 -0.369 1.00 0.00 C ATOM 73 NE ARG A 8 2.460 19.477 -0.160 1.00 0.00 N ATOM 74 CZ ARG A 8 2.989 20.654 0.155 1.00 0.00 C ATOM 75 NH1 ARG A 8 4.302 20.777 0.296 1.00 0.00 N ATOM 76 NH2 ARG A 8 2.206 21.711 0.328 1.00 0.00 N ATOM 0 H ARG A 8 6.373 18.934 -3.210 1.00 0.00 H new ATOM 0 HA ARG A 8 6.021 16.016 -3.359 1.00 0.00 H new ATOM 0 HB2 ARG A 8 4.014 16.093 -2.034 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.307 16.800 -1.085 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.468 19.089 -1.933 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.048 18.238 -2.507 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.618 17.391 -0.209 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.048 18.222 0.370 1.00 0.00 H new ATOM 0 HE ARG A 8 1.447 19.416 -0.261 1.00 0.00 H new ATOM 0 HH11 ARG A 8 4.907 19.967 0.163 1.00 0.00 H new ATOM 0 HH12 ARG A 8 4.706 21.682 0.538 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.196 21.621 0.219 1.00 0.00 H new ATOM 0 HH22 ARG A 8 2.614 22.614 0.570 1.00 0.00 H new ATOM 90 N LYS A 9 3.843 16.421 -4.812 1.00 0.00 N ATOM 91 CA LYS A 9 2.977 16.622 -5.968 1.00 0.00 C ATOM 92 C LYS A 9 1.517 16.729 -5.541 1.00 0.00 C ATOM 93 O LYS A 9 1.111 16.217 -4.498 1.00 0.00 O ATOM 94 CB LYS A 9 3.146 15.472 -6.963 1.00 0.00 C ATOM 95 CG LYS A 9 4.235 15.715 -7.994 1.00 0.00 C ATOM 96 CD LYS A 9 5.616 15.438 -7.422 1.00 0.00 C ATOM 97 CE LYS A 9 5.977 13.964 -7.525 1.00 0.00 C ATOM 98 NZ LYS A 9 7.165 13.625 -6.695 1.00 0.00 N ATOM 0 H LYS A 9 3.706 15.531 -4.333 1.00 0.00 H new ATOM 0 HA LYS A 9 3.266 17.556 -6.450 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.374 14.558 -6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.200 15.306 -7.478 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.065 15.077 -8.862 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.184 16.747 -8.342 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.358 16.033 -7.955 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.648 15.749 -6.378 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.128 13.359 -7.208 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.177 13.711 -8.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.379 12.612 -6.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.982 14.184 -7.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.965 13.842 -5.698 1.00 0.00 H new ATOM 112 N PRO A 10 0.707 17.408 -6.367 1.00 0.00 N ATOM 113 CA PRO A 10 -0.722 17.596 -6.096 1.00 0.00 C ATOM 114 C PRO A 10 -1.513 16.299 -6.229 1.00 0.00 C ATOM 115 O PRO A 10 -2.715 16.264 -5.969 1.00 0.00 O ATOM 116 CB PRO A 10 -1.157 18.599 -7.167 1.00 0.00 C ATOM 117 CG PRO A 10 -0.182 18.414 -8.278 1.00 0.00 C ATOM 118 CD PRO A 10 1.123 18.045 -7.627 1.00 0.00 C ATOM 0 HA PRO A 10 -0.902 17.935 -5.076 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.177 18.406 -7.499 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -1.134 19.620 -6.786 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -0.512 17.631 -8.961 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.081 19.327 -8.865 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.704 17.364 -8.249 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.745 18.922 -7.448 1.00 0.00 H new ATOM 126 N ARG A 11 -0.829 15.234 -6.636 1.00 0.00 N ATOM 127 CA ARG A 11 -1.468 13.934 -6.804 1.00 0.00 C ATOM 128 C ARG A 11 -0.523 12.807 -6.399 1.00 0.00 C ATOM 129 O ARG A 11 0.625 12.755 -6.841 1.00 0.00 O ATOM 130 CB ARG A 11 -1.913 13.745 -8.255 1.00 0.00 C ATOM 131 CG ARG A 11 -0.941 14.324 -9.270 1.00 0.00 C ATOM 132 CD ARG A 11 -1.275 13.870 -10.683 1.00 0.00 C ATOM 133 NE ARG A 11 -2.202 14.783 -11.346 1.00 0.00 N ATOM 134 CZ ARG A 11 -2.671 14.590 -12.574 1.00 0.00 C ATOM 135 NH1 ARG A 11 -2.303 13.522 -13.268 1.00 0.00 N ATOM 136 NH2 ARG A 11 -3.512 15.467 -13.109 1.00 0.00 N ATOM 0 H ARG A 11 0.167 15.246 -6.855 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.343 13.901 -6.155 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.039 12.680 -8.452 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.888 14.212 -8.391 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.967 15.413 -9.221 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.074 14.018 -9.019 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.357 13.798 -11.267 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.711 12.872 -10.649 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.506 15.614 -10.839 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.658 12.846 -12.859 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.665 13.377 -14.211 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.798 16.289 -12.577 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.872 15.319 -14.052 1.00 0.00 H new ATOM 150 N THR A 12 -1.014 11.905 -5.555 1.00 0.00 N ATOM 151 CA THR A 12 -0.214 10.779 -5.088 1.00 0.00 C ATOM 152 C THR A 12 -0.540 9.512 -5.869 1.00 0.00 C ATOM 153 O THR A 12 -1.589 9.418 -6.508 1.00 0.00 O ATOM 154 CB THR A 12 -0.436 10.516 -3.587 1.00 0.00 C ATOM 155 OG1 THR A 12 -0.217 11.718 -2.841 1.00 0.00 O ATOM 156 CG2 THR A 12 0.498 9.425 -3.085 1.00 0.00 C ATOM 0 H THR A 12 -1.962 11.932 -5.181 1.00 0.00 H new ATOM 0 HA THR A 12 0.831 11.044 -5.251 1.00 0.00 H new ATOM 0 HB THR A 12 -1.465 10.185 -3.447 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.362 11.542 -1.888 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.323 9.257 -2.022 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.309 8.503 -3.634 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.532 9.733 -3.238 1.00 0.00 H new ATOM 164 N ILE A 13 0.363 8.539 -5.813 1.00 0.00 N ATOM 165 CA ILE A 13 0.169 7.276 -6.514 1.00 0.00 C ATOM 166 C ILE A 13 -1.142 6.614 -6.103 1.00 0.00 C ATOM 167 O ILE A 13 -1.638 5.718 -6.786 1.00 0.00 O ATOM 168 CB ILE A 13 1.330 6.299 -6.247 1.00 0.00 C ATOM 169 CG1 ILE A 13 2.667 6.955 -6.598 1.00 0.00 C ATOM 170 CG2 ILE A 13 1.137 5.017 -7.043 1.00 0.00 C ATOM 171 CD1 ILE A 13 3.288 7.714 -5.446 1.00 0.00 C ATOM 0 H ILE A 13 1.236 8.601 -5.289 1.00 0.00 H new ATOM 0 HA ILE A 13 0.138 7.508 -7.578 1.00 0.00 H new ATOM 0 HB ILE A 13 1.338 6.047 -5.187 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.363 6.186 -6.933 1.00 0.00 H new ATOM 0 HG13 ILE A 13 2.519 7.638 -7.435 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.965 4.337 -6.844 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.200 4.544 -6.749 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.107 5.251 -8.107 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.233 8.153 -5.767 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.611 8.506 -5.125 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.468 7.031 -4.616 1.00 0.00 H new ATOM 183 N TYR A 14 -1.698 7.063 -4.983 1.00 0.00 N ATOM 184 CA TYR A 14 -2.952 6.515 -4.480 1.00 0.00 C ATOM 185 C TYR A 14 -3.849 7.620 -3.932 1.00 0.00 C ATOM 186 O TYR A 14 -3.387 8.521 -3.232 1.00 0.00 O ATOM 187 CB TYR A 14 -2.678 5.478 -3.389 1.00 0.00 C ATOM 188 CG TYR A 14 -2.227 4.139 -3.927 1.00 0.00 C ATOM 189 CD1 TYR A 14 -0.895 3.911 -4.253 1.00 0.00 C ATOM 190 CD2 TYR A 14 -3.132 3.100 -4.107 1.00 0.00 C ATOM 191 CE1 TYR A 14 -0.479 2.690 -4.745 1.00 0.00 C ATOM 192 CE2 TYR A 14 -2.724 1.874 -4.597 1.00 0.00 C ATOM 193 CZ TYR A 14 -1.397 1.674 -4.915 1.00 0.00 C ATOM 194 OH TYR A 14 -0.986 0.455 -5.404 1.00 0.00 O ATOM 0 H TYR A 14 -1.300 7.805 -4.407 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.467 6.032 -5.311 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.914 5.865 -2.715 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.583 5.337 -2.798 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.173 4.703 -4.119 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.172 3.253 -3.860 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.559 2.531 -4.995 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.440 1.077 -4.730 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.000 -0.208 -4.683 1.00 0.00 H new ATOM 204 N SER A 15 -5.136 7.544 -4.256 1.00 0.00 N ATOM 205 CA SER A 15 -6.100 8.539 -3.800 1.00 0.00 C ATOM 206 C SER A 15 -6.185 8.554 -2.277 1.00 0.00 C ATOM 207 O SER A 15 -5.985 7.531 -1.623 1.00 0.00 O ATOM 208 CB SER A 15 -7.479 8.255 -4.397 1.00 0.00 C ATOM 209 OG SER A 15 -8.359 9.347 -4.191 1.00 0.00 O ATOM 0 H SER A 15 -5.535 6.804 -4.833 1.00 0.00 H new ATOM 0 HA SER A 15 -5.761 9.519 -4.137 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.383 8.058 -5.465 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.897 7.356 -3.943 1.00 0.00 H new ATOM 0 HG SER A 15 -9.233 9.141 -4.583 1.00 0.00 H new ATOM 215 N SER A 16 -6.484 9.723 -1.719 1.00 0.00 N ATOM 216 CA SER A 16 -6.593 9.874 -0.273 1.00 0.00 C ATOM 217 C SER A 16 -7.551 8.840 0.311 1.00 0.00 C ATOM 218 O SER A 16 -7.294 8.267 1.371 1.00 0.00 O ATOM 219 CB SER A 16 -7.070 11.284 0.080 1.00 0.00 C ATOM 220 OG SER A 16 -8.286 11.591 -0.581 1.00 0.00 O ATOM 0 H SER A 16 -6.655 10.579 -2.247 1.00 0.00 H new ATOM 0 HA SER A 16 -5.605 9.714 0.159 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.208 11.366 1.158 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.307 12.010 -0.200 1.00 0.00 H new ATOM 0 HG SER A 16 -8.571 12.497 -0.338 1.00 0.00 H new ATOM 226 N PHE A 17 -8.656 8.606 -0.388 1.00 0.00 N ATOM 227 CA PHE A 17 -9.654 7.642 0.060 1.00 0.00 C ATOM 228 C PHE A 17 -9.074 6.231 0.088 1.00 0.00 C ATOM 229 O PHE A 17 -9.224 5.507 1.072 1.00 0.00 O ATOM 230 CB PHE A 17 -10.881 7.683 -0.854 1.00 0.00 C ATOM 231 CG PHE A 17 -11.637 6.386 -0.900 1.00 0.00 C ATOM 232 CD1 PHE A 17 -12.517 6.046 0.115 1.00 0.00 C ATOM 233 CD2 PHE A 17 -11.470 5.508 -1.958 1.00 0.00 C ATOM 234 CE1 PHE A 17 -13.214 4.853 0.075 1.00 0.00 C ATOM 235 CE2 PHE A 17 -12.164 4.314 -2.004 1.00 0.00 C ATOM 236 CZ PHE A 17 -13.039 3.987 -0.986 1.00 0.00 C ATOM 0 H PHE A 17 -8.883 9.071 -1.267 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.954 7.913 1.072 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.551 8.473 -0.515 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.564 7.946 -1.863 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -12.660 6.720 0.946 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -10.789 5.760 -2.757 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.895 4.598 0.873 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.023 3.638 -2.834 1.00 0.00 H new ATOM 0 HZ PHE A 17 -13.585 3.056 -1.020 1.00 0.00 H new ATOM 246 N GLN A 18 -8.411 5.849 -0.999 1.00 0.00 N ATOM 247 CA GLN A 18 -7.809 4.525 -1.099 1.00 0.00 C ATOM 248 C GLN A 18 -6.706 4.348 -0.061 1.00 0.00 C ATOM 249 O GLN A 18 -6.526 3.261 0.491 1.00 0.00 O ATOM 250 CB GLN A 18 -7.245 4.303 -2.504 1.00 0.00 C ATOM 251 CG GLN A 18 -8.291 4.400 -3.602 1.00 0.00 C ATOM 252 CD GLN A 18 -7.722 4.109 -4.977 1.00 0.00 C ATOM 253 OE1 GLN A 18 -6.513 4.191 -5.191 1.00 0.00 O ATOM 254 NE2 GLN A 18 -8.594 3.766 -5.918 1.00 0.00 N ATOM 0 H GLN A 18 -8.277 6.437 -1.822 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.586 3.785 -0.906 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.463 5.038 -2.693 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.775 3.320 -2.547 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.099 3.699 -3.392 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.726 5.399 -3.597 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.588 3.710 -5.696 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -8.270 3.558 -6.862 1.00 0.00 H new ATOM 263 N LEU A 19 -5.969 5.422 0.200 1.00 0.00 N ATOM 264 CA LEU A 19 -4.881 5.386 1.172 1.00 0.00 C ATOM 265 C LEU A 19 -5.425 5.266 2.592 1.00 0.00 C ATOM 266 O LEU A 19 -5.003 4.400 3.358 1.00 0.00 O ATOM 267 CB LEU A 19 -4.019 6.643 1.048 1.00 0.00 C ATOM 268 CG LEU A 19 -2.895 6.587 0.013 1.00 0.00 C ATOM 269 CD1 LEU A 19 -2.005 7.815 0.123 1.00 0.00 C ATOM 270 CD2 LEU A 19 -2.076 5.315 0.183 1.00 0.00 C ATOM 0 H LEU A 19 -6.105 6.328 -0.248 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.267 4.510 0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.670 7.483 0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.578 6.855 2.022 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.343 6.577 -0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.211 7.757 -0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.600 8.712 -0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.565 7.858 1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.281 5.292 -0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.639 5.294 1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.721 4.446 0.052 1.00 0.00 H new ATOM 282 N ALA A 20 -6.365 6.140 2.936 1.00 0.00 N ATOM 283 CA ALA A 20 -6.969 6.129 4.263 1.00 0.00 C ATOM 284 C ALA A 20 -7.180 4.702 4.759 1.00 0.00 C ATOM 285 O ALA A 20 -7.023 4.418 5.946 1.00 0.00 O ATOM 286 CB ALA A 20 -8.290 6.885 4.247 1.00 0.00 C ATOM 0 H ALA A 20 -6.725 6.864 2.315 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.285 6.627 4.951 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.730 6.869 5.244 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.115 7.917 3.944 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.972 6.411 3.541 1.00 0.00 H new ATOM 292 N ALA A 21 -7.536 3.809 3.842 1.00 0.00 N ATOM 293 CA ALA A 21 -7.767 2.411 4.186 1.00 0.00 C ATOM 294 C ALA A 21 -6.468 1.614 4.142 1.00 0.00 C ATOM 295 O ALA A 21 -6.174 0.837 5.052 1.00 0.00 O ATOM 296 CB ALA A 21 -8.797 1.800 3.247 1.00 0.00 C ATOM 0 H ALA A 21 -7.671 4.028 2.855 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.152 2.371 5.205 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.960 0.756 3.515 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.736 2.347 3.331 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.434 1.859 2.221 1.00 0.00 H new ATOM 302 N LEU A 22 -5.695 1.809 3.080 1.00 0.00 N ATOM 303 CA LEU A 22 -4.427 1.107 2.918 1.00 0.00 C ATOM 304 C LEU A 22 -3.551 1.271 4.156 1.00 0.00 C ATOM 305 O LEU A 22 -3.043 0.292 4.701 1.00 0.00 O ATOM 306 CB LEU A 22 -3.687 1.628 1.684 1.00 0.00 C ATOM 307 CG LEU A 22 -4.170 1.090 0.336 1.00 0.00 C ATOM 308 CD1 LEU A 22 -3.550 1.879 -0.807 1.00 0.00 C ATOM 309 CD2 LEU A 22 -3.843 -0.390 0.204 1.00 0.00 C ATOM 0 H LEU A 22 -5.924 2.447 2.318 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.642 0.047 2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.767 2.715 1.669 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.629 1.388 1.791 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.252 1.208 0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.905 1.482 -1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.835 2.928 -0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.464 1.794 -0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.194 -0.756 -0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.765 -0.532 0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.336 -0.944 1.003 1.00 0.00 H new ATOM 321 N GLN A 23 -3.381 2.514 4.594 1.00 0.00 N ATOM 322 CA GLN A 23 -2.568 2.805 5.769 1.00 0.00 C ATOM 323 C GLN A 23 -3.212 2.240 7.030 1.00 0.00 C ATOM 324 O GLN A 23 -2.523 1.907 7.995 1.00 0.00 O ATOM 325 CB GLN A 23 -2.369 4.315 5.916 1.00 0.00 C ATOM 326 CG GLN A 23 -1.240 4.866 5.059 1.00 0.00 C ATOM 327 CD GLN A 23 -0.866 6.287 5.431 1.00 0.00 C ATOM 328 OE1 GLN A 23 -0.982 7.205 4.618 1.00 0.00 O ATOM 329 NE2 GLN A 23 -0.414 6.477 6.665 1.00 0.00 N ATOM 0 H GLN A 23 -3.795 3.335 4.153 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.597 2.329 5.635 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.296 4.823 5.651 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.166 4.546 6.962 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.364 4.225 5.162 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.536 4.835 4.010 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.334 5.688 7.306 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.147 7.412 6.972 1.00 0.00 H new ATOM 338 N ARG A 24 -4.537 2.134 7.016 1.00 0.00 N ATOM 339 CA ARG A 24 -5.274 1.610 8.159 1.00 0.00 C ATOM 340 C ARG A 24 -5.058 0.107 8.303 1.00 0.00 C ATOM 341 O ARG A 24 -4.945 -0.411 9.415 1.00 0.00 O ATOM 342 CB ARG A 24 -6.767 1.910 8.012 1.00 0.00 C ATOM 343 CG ARG A 24 -7.654 1.023 8.869 1.00 0.00 C ATOM 344 CD ARG A 24 -8.942 1.731 9.257 1.00 0.00 C ATOM 345 NE ARG A 24 -9.874 0.838 9.940 1.00 0.00 N ATOM 346 CZ ARG A 24 -11.052 1.227 10.413 1.00 0.00 C ATOM 347 NH1 ARG A 24 -11.441 2.488 10.277 1.00 0.00 N ATOM 348 NH2 ARG A 24 -11.845 0.355 11.023 1.00 0.00 N ATOM 0 H ARG A 24 -5.122 2.404 6.225 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.899 2.101 9.057 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.947 2.952 8.275 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.051 1.792 6.966 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.890 0.109 8.325 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.114 0.728 9.769 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.710 2.576 9.905 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.417 2.135 8.363 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.605 -0.139 10.060 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.835 3.161 9.808 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.346 2.784 10.641 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.550 -0.616 11.129 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.750 0.655 11.386 1.00 0.00 H new ATOM 362 N ARG A 25 -5.002 -0.589 7.172 1.00 0.00 N ATOM 363 CA ARG A 25 -4.802 -2.033 7.172 1.00 0.00 C ATOM 364 C ARG A 25 -3.325 -2.377 7.346 1.00 0.00 C ATOM 365 O ARG A 25 -2.980 -3.375 7.978 1.00 0.00 O ATOM 366 CB ARG A 25 -5.329 -2.642 5.872 1.00 0.00 C ATOM 367 CG ARG A 25 -5.603 -4.134 5.966 1.00 0.00 C ATOM 368 CD ARG A 25 -6.858 -4.421 6.775 1.00 0.00 C ATOM 369 NE ARG A 25 -8.074 -4.140 6.017 1.00 0.00 N ATOM 370 CZ ARG A 25 -9.290 -4.493 6.420 1.00 0.00 C ATOM 371 NH1 ARG A 25 -9.450 -5.135 7.569 1.00 0.00 N ATOM 372 NH2 ARG A 25 -10.348 -4.202 5.674 1.00 0.00 N ATOM 0 H ARG A 25 -5.092 -0.176 6.244 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.356 -2.452 8.012 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.248 -2.130 5.587 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.605 -2.463 5.077 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.712 -4.549 4.964 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.750 -4.633 6.426 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.858 -5.466 7.086 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.850 -3.818 7.683 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.985 -3.646 5.129 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.639 -5.359 8.145 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.384 -5.405 7.877 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.228 -3.707 4.790 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -11.281 -4.473 5.984 1.00 0.00 H new ATOM 386 N PHE A 26 -2.459 -1.544 6.779 1.00 0.00 N ATOM 387 CA PHE A 26 -1.019 -1.760 6.870 1.00 0.00 C ATOM 388 C PHE A 26 -0.571 -1.834 8.326 1.00 0.00 C ATOM 389 O PHE A 26 0.077 -2.796 8.738 1.00 0.00 O ATOM 390 CB PHE A 26 -0.267 -0.639 6.149 1.00 0.00 C ATOM 391 CG PHE A 26 1.194 -0.927 5.954 1.00 0.00 C ATOM 392 CD1 PHE A 26 1.606 -2.088 5.319 1.00 0.00 C ATOM 393 CD2 PHE A 26 2.155 -0.036 6.405 1.00 0.00 C ATOM 394 CE1 PHE A 26 2.950 -2.355 5.138 1.00 0.00 C ATOM 395 CE2 PHE A 26 3.500 -0.298 6.225 1.00 0.00 C ATOM 396 CZ PHE A 26 3.898 -1.460 5.592 1.00 0.00 C ATOM 0 H PHE A 26 -2.729 -0.713 6.252 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.788 -2.710 6.389 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.729 -0.470 5.176 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.374 0.284 6.718 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.869 -2.792 4.962 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.850 0.873 6.902 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.258 -3.263 4.642 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.240 0.405 6.579 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.949 -1.668 5.453 1.00 0.00 H new ATOM 406 N GLN A 27 -0.921 -0.811 9.099 1.00 0.00 N ATOM 407 CA GLN A 27 -0.553 -0.759 10.509 1.00 0.00 C ATOM 408 C GLN A 27 -1.040 -2.003 11.245 1.00 0.00 C ATOM 409 O GLN A 27 -0.319 -2.578 12.061 1.00 0.00 O ATOM 410 CB GLN A 27 -1.135 0.495 11.164 1.00 0.00 C ATOM 411 CG GLN A 27 -2.652 0.569 11.097 1.00 0.00 C ATOM 412 CD GLN A 27 -3.199 1.864 11.665 1.00 0.00 C ATOM 413 OE1 GLN A 27 -2.442 2.732 12.100 1.00 0.00 O ATOM 414 NE2 GLN A 27 -4.519 2.000 11.663 1.00 0.00 N ATOM 0 H GLN A 27 -1.458 -0.008 8.773 1.00 0.00 H new ATOM 0 HA GLN A 27 0.535 -0.723 10.573 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.824 0.527 12.208 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.715 1.376 10.679 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.971 0.468 10.060 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.077 -0.272 11.645 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.108 1.254 11.292 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.945 2.850 12.032 1.00 0.00 H new ATOM 423 N LYS A 28 -2.269 -2.415 10.952 1.00 0.00 N ATOM 424 CA LYS A 28 -2.854 -3.591 11.584 1.00 0.00 C ATOM 425 C LYS A 28 -2.015 -4.834 11.302 1.00 0.00 C ATOM 426 O LYS A 28 -1.589 -5.531 12.223 1.00 0.00 O ATOM 427 CB LYS A 28 -4.285 -3.805 11.086 1.00 0.00 C ATOM 428 CG LYS A 28 -5.258 -2.738 11.556 1.00 0.00 C ATOM 429 CD LYS A 28 -5.609 -2.910 13.024 1.00 0.00 C ATOM 430 CE LYS A 28 -6.658 -1.902 13.469 1.00 0.00 C ATOM 431 NZ LYS A 28 -8.039 -2.376 13.180 1.00 0.00 N ATOM 0 H LYS A 28 -2.880 -1.951 10.280 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.872 -3.423 12.661 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.282 -3.828 9.996 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.637 -4.780 11.424 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.821 -1.752 11.399 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.167 -2.784 10.956 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.979 -3.921 13.194 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.711 -2.793 13.630 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.554 -1.717 14.538 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.487 -0.952 12.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.725 -1.662 13.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.147 -2.528 12.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.212 -3.270 13.683 1.00 0.00 H new ATOM 445 N THR A 29 -1.781 -5.106 10.021 1.00 0.00 N ATOM 446 CA THR A 29 -0.993 -6.264 9.618 1.00 0.00 C ATOM 447 C THR A 29 -0.262 -6.002 8.306 1.00 0.00 C ATOM 448 O THR A 29 -0.826 -5.428 7.376 1.00 0.00 O ATOM 449 CB THR A 29 -1.875 -7.516 9.460 1.00 0.00 C ATOM 450 OG1 THR A 29 -1.063 -8.651 9.142 1.00 0.00 O ATOM 451 CG2 THR A 29 -2.916 -7.310 8.369 1.00 0.00 C ATOM 0 H THR A 29 -2.126 -4.540 9.246 1.00 0.00 H new ATOM 0 HA THR A 29 -0.263 -6.440 10.408 1.00 0.00 H new ATOM 0 HB THR A 29 -2.390 -7.692 10.404 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.250 -8.940 8.224 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.527 -8.208 8.275 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.552 -6.463 8.628 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.415 -7.111 7.421 1.00 0.00 H new ATOM 459 N GLN A 30 0.996 -6.426 8.240 1.00 0.00 N ATOM 460 CA GLN A 30 1.803 -6.237 7.040 1.00 0.00 C ATOM 461 C GLN A 30 1.375 -7.200 5.938 1.00 0.00 C ATOM 462 O GLN A 30 1.444 -6.873 4.753 1.00 0.00 O ATOM 463 CB GLN A 30 3.285 -6.437 7.361 1.00 0.00 C ATOM 464 CG GLN A 30 3.972 -5.180 7.870 1.00 0.00 C ATOM 465 CD GLN A 30 3.865 -5.024 9.374 1.00 0.00 C ATOM 466 OE1 GLN A 30 3.812 -6.011 10.110 1.00 0.00 O ATOM 467 NE2 GLN A 30 3.831 -3.782 9.841 1.00 0.00 N ATOM 0 H GLN A 30 1.478 -6.902 9.002 1.00 0.00 H new ATOM 0 HA GLN A 30 1.649 -5.218 6.686 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.383 -7.223 8.110 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.799 -6.784 6.465 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.024 -5.205 7.585 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.531 -4.308 7.386 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.877 -2.993 9.196 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.758 -3.616 10.845 1.00 0.00 H new ATOM 476 N TYR A 31 0.933 -8.388 6.336 1.00 0.00 N ATOM 477 CA TYR A 31 0.496 -9.400 5.381 1.00 0.00 C ATOM 478 C TYR A 31 -1.024 -9.520 5.373 1.00 0.00 C ATOM 479 O TYR A 31 -1.672 -9.438 6.418 1.00 0.00 O ATOM 480 CB TYR A 31 1.125 -10.753 5.718 1.00 0.00 C ATOM 481 CG TYR A 31 2.563 -10.881 5.268 1.00 0.00 C ATOM 482 CD1 TYR A 31 3.515 -9.942 5.644 1.00 0.00 C ATOM 483 CD2 TYR A 31 2.969 -11.943 4.469 1.00 0.00 C ATOM 484 CE1 TYR A 31 4.830 -10.056 5.235 1.00 0.00 C ATOM 485 CE2 TYR A 31 4.282 -12.065 4.057 1.00 0.00 C ATOM 486 CZ TYR A 31 5.208 -11.119 4.442 1.00 0.00 C ATOM 487 OH TYR A 31 6.517 -11.236 4.034 1.00 0.00 O ATOM 0 H TYR A 31 0.868 -8.674 7.313 1.00 0.00 H new ATOM 0 HA TYR A 31 0.823 -9.092 4.388 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.075 -10.909 6.796 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.536 -11.544 5.254 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.223 -9.109 6.266 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.246 -12.685 4.165 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.558 -9.317 5.535 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.581 -12.897 3.437 1.00 0.00 H new ATOM 0 HH TYR A 31 6.617 -12.040 3.483 1.00 0.00 H new ATOM 497 N LEU A 32 -1.589 -9.716 4.187 1.00 0.00 N ATOM 498 CA LEU A 32 -3.034 -9.850 4.040 1.00 0.00 C ATOM 499 C LEU A 32 -3.395 -11.178 3.382 1.00 0.00 C ATOM 500 O LEU A 32 -2.737 -11.612 2.437 1.00 0.00 O ATOM 501 CB LEU A 32 -3.592 -8.690 3.213 1.00 0.00 C ATOM 502 CG LEU A 32 -3.661 -7.335 3.918 1.00 0.00 C ATOM 503 CD1 LEU A 32 -4.259 -6.283 2.997 1.00 0.00 C ATOM 504 CD2 LEU A 32 -4.469 -7.443 5.203 1.00 0.00 C ATOM 0 H LEU A 32 -1.068 -9.786 3.313 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.479 -9.827 5.035 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.979 -8.581 2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.596 -8.956 2.882 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.647 -7.029 4.174 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.300 -5.326 3.516 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.640 -6.186 2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.267 -6.582 2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.508 -6.469 5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.482 -7.772 4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.997 -8.165 5.870 1.00 0.00 H new ATOM 516 N ALA A 33 -4.445 -11.817 3.887 1.00 0.00 N ATOM 517 CA ALA A 33 -4.896 -13.093 3.345 1.00 0.00 C ATOM 518 C ALA A 33 -5.423 -12.930 1.924 1.00 0.00 C ATOM 519 O ALA A 33 -5.507 -11.816 1.405 1.00 0.00 O ATOM 520 CB ALA A 33 -5.966 -13.698 4.241 1.00 0.00 C ATOM 0 H ALA A 33 -4.999 -11.472 4.671 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.041 -13.768 3.312 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.294 -14.650 3.824 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.557 -13.860 5.238 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.815 -13.018 4.303 1.00 0.00 H new ATOM 526 N LEU A 34 -5.777 -14.047 1.298 1.00 0.00 N ATOM 527 CA LEU A 34 -6.296 -14.029 -0.066 1.00 0.00 C ATOM 528 C LEU A 34 -7.447 -13.037 -0.196 1.00 0.00 C ATOM 529 O LEU A 34 -7.390 -12.081 -0.970 1.00 0.00 O ATOM 530 CB LEU A 34 -6.763 -15.427 -0.473 1.00 0.00 C ATOM 531 CG LEU A 34 -7.961 -15.485 -1.421 1.00 0.00 C ATOM 532 CD1 LEU A 34 -7.583 -14.945 -2.792 1.00 0.00 C ATOM 533 CD2 LEU A 34 -8.486 -16.909 -1.533 1.00 0.00 C ATOM 0 H LEU A 34 -5.714 -14.977 1.713 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.492 -13.714 -0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.927 -15.945 -0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.013 -15.982 0.431 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.754 -14.859 -1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.448 -14.994 -3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.257 -13.909 -2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.773 -15.544 -3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.338 -16.930 -2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.699 -17.558 -1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.797 -17.261 -0.549 1.00 0.00 H new ATOM 545 N PRO A 35 -8.518 -13.268 0.578 1.00 0.00 N ATOM 546 CA PRO A 35 -9.702 -12.404 0.569 1.00 0.00 C ATOM 547 C PRO A 35 -9.428 -11.037 1.186 1.00 0.00 C ATOM 548 O PRO A 35 -10.042 -10.040 0.807 1.00 0.00 O ATOM 549 CB PRO A 35 -10.714 -13.180 1.416 1.00 0.00 C ATOM 550 CG PRO A 35 -9.883 -14.031 2.313 1.00 0.00 C ATOM 551 CD PRO A 35 -8.655 -14.389 1.523 1.00 0.00 C ATOM 0 HA PRO A 35 -10.045 -12.194 -0.444 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -11.351 -12.506 1.988 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.371 -13.786 0.792 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.618 -13.495 3.224 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.427 -14.926 2.616 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.778 -14.484 2.164 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.774 -15.340 1.004 1.00 0.00 H new ATOM 559 N GLU A 36 -8.500 -10.998 2.138 1.00 0.00 N ATOM 560 CA GLU A 36 -8.146 -9.752 2.807 1.00 0.00 C ATOM 561 C GLU A 36 -7.562 -8.749 1.816 1.00 0.00 C ATOM 562 O GLU A 36 -7.961 -7.585 1.787 1.00 0.00 O ATOM 563 CB GLU A 36 -7.142 -10.018 3.931 1.00 0.00 C ATOM 564 CG GLU A 36 -7.732 -10.780 5.106 1.00 0.00 C ATOM 565 CD GLU A 36 -8.633 -9.917 5.967 1.00 0.00 C ATOM 566 OE1 GLU A 36 -9.568 -9.301 5.415 1.00 0.00 O ATOM 567 OE2 GLU A 36 -8.403 -9.858 7.193 1.00 0.00 O ATOM 0 H GLU A 36 -7.981 -11.814 2.462 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.055 -9.328 3.234 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.300 -10.582 3.529 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.747 -9.066 4.287 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.300 -11.633 4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.923 -11.179 5.719 1.00 0.00 H new ATOM 574 N ARG A 37 -6.614 -9.210 1.006 1.00 0.00 N ATOM 575 CA ARG A 37 -5.974 -8.353 0.015 1.00 0.00 C ATOM 576 C ARG A 37 -6.981 -7.884 -1.030 1.00 0.00 C ATOM 577 O ARG A 37 -6.964 -6.727 -1.447 1.00 0.00 O ATOM 578 CB ARG A 37 -4.824 -9.098 -0.667 1.00 0.00 C ATOM 579 CG ARG A 37 -4.298 -8.399 -1.909 1.00 0.00 C ATOM 580 CD ARG A 37 -3.370 -9.303 -2.706 1.00 0.00 C ATOM 581 NE ARG A 37 -3.973 -10.605 -2.975 1.00 0.00 N ATOM 582 CZ ARG A 37 -3.270 -11.694 -3.267 1.00 0.00 C ATOM 583 NH1 ARG A 37 -1.947 -11.636 -3.328 1.00 0.00 N ATOM 584 NH2 ARG A 37 -3.891 -12.844 -3.499 1.00 0.00 N ATOM 0 H ARG A 37 -6.273 -10.171 1.017 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.577 -7.478 0.530 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.008 -9.219 0.045 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.161 -10.099 -0.939 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.134 -8.091 -2.536 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.765 -7.493 -1.620 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.115 -8.820 -3.649 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.439 -9.441 -2.157 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.989 -10.683 -2.937 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.466 -10.754 -3.151 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.410 -12.473 -3.552 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.909 -12.892 -3.453 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.350 -13.679 -3.723 1.00 0.00 H new ATOM 598 N ALA A 38 -7.857 -8.792 -1.450 1.00 0.00 N ATOM 599 CA ALA A 38 -8.872 -8.471 -2.445 1.00 0.00 C ATOM 600 C ALA A 38 -9.867 -7.448 -1.905 1.00 0.00 C ATOM 601 O ALA A 38 -10.395 -6.628 -2.654 1.00 0.00 O ATOM 602 CB ALA A 38 -9.598 -9.734 -2.885 1.00 0.00 C ATOM 0 H ALA A 38 -7.883 -9.755 -1.116 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.372 -8.032 -3.309 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.353 -9.479 -3.628 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.883 -10.432 -3.319 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.079 -10.196 -2.023 1.00 0.00 H new ATOM 608 N GLU A 39 -10.117 -7.505 -0.600 1.00 0.00 N ATOM 609 CA GLU A 39 -11.049 -6.584 0.038 1.00 0.00 C ATOM 610 C GLU A 39 -10.657 -5.135 -0.236 1.00 0.00 C ATOM 611 O GLU A 39 -11.515 -4.277 -0.449 1.00 0.00 O ATOM 612 CB GLU A 39 -11.095 -6.834 1.547 1.00 0.00 C ATOM 613 CG GLU A 39 -12.440 -6.513 2.177 1.00 0.00 C ATOM 614 CD GLU A 39 -13.387 -7.697 2.165 1.00 0.00 C ATOM 615 OE1 GLU A 39 -12.912 -8.838 2.342 1.00 0.00 O ATOM 616 OE2 GLU A 39 -14.603 -7.483 1.979 1.00 0.00 O ATOM 0 H GLU A 39 -9.687 -8.178 0.034 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.039 -6.760 -0.383 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.853 -7.879 1.741 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.324 -6.233 2.030 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.287 -6.186 3.205 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.898 -5.681 1.643 1.00 0.00 H new ATOM 623 N LEU A 40 -9.356 -4.869 -0.229 1.00 0.00 N ATOM 624 CA LEU A 40 -8.848 -3.524 -0.477 1.00 0.00 C ATOM 625 C LEU A 40 -8.982 -3.154 -1.950 1.00 0.00 C ATOM 626 O LEU A 40 -9.295 -2.013 -2.288 1.00 0.00 O ATOM 627 CB LEU A 40 -7.384 -3.423 -0.045 1.00 0.00 C ATOM 628 CG LEU A 40 -7.043 -4.023 1.320 1.00 0.00 C ATOM 629 CD1 LEU A 40 -5.724 -3.468 1.833 1.00 0.00 C ATOM 630 CD2 LEU A 40 -8.161 -3.752 2.315 1.00 0.00 C ATOM 0 H LEU A 40 -8.633 -5.567 -0.054 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.443 -2.824 0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.769 -3.914 -0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.100 -2.371 -0.038 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.939 -5.102 1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.498 -3.906 2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.928 -3.714 1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.799 -2.385 1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.902 -4.186 3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.297 -2.676 2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.087 -4.200 1.953 1.00 0.00 H new ATOM 642 N ALA A 41 -8.744 -4.128 -2.823 1.00 0.00 N ATOM 643 CA ALA A 41 -8.843 -3.905 -4.261 1.00 0.00 C ATOM 644 C ALA A 41 -10.294 -3.713 -4.688 1.00 0.00 C ATOM 645 O ALA A 41 -10.578 -3.000 -5.651 1.00 0.00 O ATOM 646 CB ALA A 41 -8.217 -5.067 -5.018 1.00 0.00 C ATOM 0 H ALA A 41 -8.482 -5.078 -2.560 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.298 -2.992 -4.501 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.297 -4.888 -6.090 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.166 -5.157 -4.743 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.738 -5.990 -4.764 1.00 0.00 H new ATOM 652 N ALA A 42 -11.208 -4.353 -3.967 1.00 0.00 N ATOM 653 CA ALA A 42 -12.630 -4.250 -4.271 1.00 0.00 C ATOM 654 C ALA A 42 -13.257 -3.050 -3.568 1.00 0.00 C ATOM 655 O ALA A 42 -14.032 -2.304 -4.166 1.00 0.00 O ATOM 656 CB ALA A 42 -13.349 -5.531 -3.874 1.00 0.00 C ATOM 0 H ALA A 42 -10.989 -4.948 -3.168 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.736 -4.105 -5.346 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.410 -5.440 -4.107 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.927 -6.371 -4.426 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.225 -5.701 -2.804 1.00 0.00 H new ATOM 662 N SER A 43 -12.917 -2.871 -2.296 1.00 0.00 N ATOM 663 CA SER A 43 -13.450 -1.764 -1.511 1.00 0.00 C ATOM 664 C SER A 43 -12.889 -0.432 -1.999 1.00 0.00 C ATOM 665 O SER A 43 -13.638 0.505 -2.279 1.00 0.00 O ATOM 666 CB SER A 43 -13.120 -1.957 -0.029 1.00 0.00 C ATOM 667 OG SER A 43 -13.476 -0.812 0.726 1.00 0.00 O ATOM 0 H SER A 43 -12.275 -3.478 -1.787 1.00 0.00 H new ATOM 0 HA SER A 43 -14.533 -1.750 -1.636 1.00 0.00 H new ATOM 0 HB2 SER A 43 -13.650 -2.829 0.354 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.055 -2.156 0.087 1.00 0.00 H new ATOM 0 HG SER A 43 -13.257 -0.961 1.669 1.00 0.00 H new ATOM 673 N LEU A 44 -11.567 -0.355 -2.098 1.00 0.00 N ATOM 674 CA LEU A 44 -10.903 0.862 -2.553 1.00 0.00 C ATOM 675 C LEU A 44 -11.042 1.027 -4.063 1.00 0.00 C ATOM 676 O LEU A 44 -10.951 2.136 -4.588 1.00 0.00 O ATOM 677 CB LEU A 44 -9.424 0.835 -2.166 1.00 0.00 C ATOM 678 CG LEU A 44 -9.112 0.382 -0.739 1.00 0.00 C ATOM 679 CD1 LEU A 44 -7.609 0.303 -0.521 1.00 0.00 C ATOM 680 CD2 LEU A 44 -9.751 1.322 0.272 1.00 0.00 C ATOM 0 H LEU A 44 -10.933 -1.121 -1.869 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.384 1.711 -2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.900 0.176 -2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.014 1.835 -2.306 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.532 -0.613 -0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.406 -0.021 0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.177 -0.412 -1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.165 1.285 -0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.518 0.983 1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.362 2.330 0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.832 1.327 0.132 1.00 0.00 H new ATOM 692 N GLY A 45 -11.266 -0.086 -4.756 1.00 0.00 N ATOM 693 CA GLY A 45 -11.416 -0.043 -6.199 1.00 0.00 C ATOM 694 C GLY A 45 -10.106 -0.271 -6.926 1.00 0.00 C ATOM 695 O GLY A 45 -9.989 0.019 -8.117 1.00 0.00 O ATOM 0 H GLY A 45 -11.346 -1.016 -4.344 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.136 -0.800 -6.509 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.826 0.924 -6.490 1.00 0.00 H new ATOM 699 N LEU A 46 -9.116 -0.791 -6.208 1.00 0.00 N ATOM 700 CA LEU A 46 -7.806 -1.057 -6.791 1.00 0.00 C ATOM 701 C LEU A 46 -7.661 -2.530 -7.158 1.00 0.00 C ATOM 702 O LEU A 46 -8.572 -3.329 -6.936 1.00 0.00 O ATOM 703 CB LEU A 46 -6.700 -0.651 -5.816 1.00 0.00 C ATOM 704 CG LEU A 46 -6.761 0.784 -5.290 1.00 0.00 C ATOM 705 CD1 LEU A 46 -6.171 0.865 -3.890 1.00 0.00 C ATOM 706 CD2 LEU A 46 -6.033 1.729 -6.234 1.00 0.00 C ATOM 0 H LEU A 46 -9.196 -1.037 -5.221 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.715 -0.465 -7.702 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.727 -1.330 -4.964 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.738 -0.796 -6.308 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.806 1.088 -5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.223 1.893 -3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.736 0.218 -3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.130 0.542 -3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.087 2.745 -5.844 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.989 1.427 -6.318 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.501 1.693 -7.218 1.00 0.00 H new ATOM 718 N THR A 47 -6.509 -2.885 -7.718 1.00 0.00 N ATOM 719 CA THR A 47 -6.245 -4.263 -8.114 1.00 0.00 C ATOM 720 C THR A 47 -5.211 -4.909 -7.199 1.00 0.00 C ATOM 721 O THR A 47 -4.356 -4.226 -6.635 1.00 0.00 O ATOM 722 CB THR A 47 -5.747 -4.343 -9.570 1.00 0.00 C ATOM 723 OG1 THR A 47 -5.524 -5.709 -9.937 1.00 0.00 O ATOM 724 CG2 THR A 47 -4.462 -3.549 -9.747 1.00 0.00 C ATOM 0 H THR A 47 -5.744 -2.238 -7.908 1.00 0.00 H new ATOM 0 HA THR A 47 -7.188 -4.803 -8.030 1.00 0.00 H new ATOM 0 HB THR A 47 -6.512 -3.914 -10.217 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.209 -5.751 -10.864 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.130 -3.620 -10.783 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.642 -2.504 -9.495 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.691 -3.953 -9.090 1.00 0.00 H new ATOM 732 N GLN A 48 -5.294 -6.228 -7.058 1.00 0.00 N ATOM 733 CA GLN A 48 -4.364 -6.965 -6.211 1.00 0.00 C ATOM 734 C GLN A 48 -2.921 -6.603 -6.543 1.00 0.00 C ATOM 735 O GLN A 48 -2.062 -6.554 -5.661 1.00 0.00 O ATOM 736 CB GLN A 48 -4.575 -8.471 -6.376 1.00 0.00 C ATOM 737 CG GLN A 48 -5.742 -9.014 -5.566 1.00 0.00 C ATOM 738 CD GLN A 48 -6.079 -10.450 -5.919 1.00 0.00 C ATOM 739 OE1 GLN A 48 -5.214 -11.326 -5.898 1.00 0.00 O ATOM 740 NE2 GLN A 48 -7.342 -10.698 -6.246 1.00 0.00 N ATOM 0 H GLN A 48 -5.995 -6.808 -7.519 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.559 -6.689 -5.175 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.741 -8.693 -7.430 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.664 -8.992 -6.080 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.503 -8.951 -4.504 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.618 -8.387 -5.733 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.026 -9.941 -6.250 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.628 -11.645 -6.493 1.00 0.00 H new ATOM 749 N THR A 49 -2.658 -6.349 -7.822 1.00 0.00 N ATOM 750 CA THR A 49 -1.319 -5.992 -8.271 1.00 0.00 C ATOM 751 C THR A 49 -0.887 -4.646 -7.701 1.00 0.00 C ATOM 752 O THR A 49 0.302 -4.396 -7.508 1.00 0.00 O ATOM 753 CB THR A 49 -1.238 -5.936 -9.808 1.00 0.00 C ATOM 754 OG1 THR A 49 -1.890 -7.078 -10.375 1.00 0.00 O ATOM 755 CG2 THR A 49 0.210 -5.889 -10.273 1.00 0.00 C ATOM 0 H THR A 49 -3.356 -6.384 -8.565 1.00 0.00 H new ATOM 0 HA THR A 49 -0.647 -6.769 -7.907 1.00 0.00 H new ATOM 0 HB THR A 49 -1.740 -5.028 -10.143 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.836 -7.034 -11.352 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.241 -5.850 -11.362 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.695 -5.003 -9.864 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.732 -6.781 -9.927 1.00 0.00 H new ATOM 763 N GLN A 50 -1.862 -3.783 -7.432 1.00 0.00 N ATOM 764 CA GLN A 50 -1.582 -2.461 -6.884 1.00 0.00 C ATOM 765 C GLN A 50 -1.490 -2.512 -5.362 1.00 0.00 C ATOM 766 O GLN A 50 -0.557 -1.972 -4.768 1.00 0.00 O ATOM 767 CB GLN A 50 -2.665 -1.469 -7.309 1.00 0.00 C ATOM 768 CG GLN A 50 -2.431 -0.864 -8.683 1.00 0.00 C ATOM 769 CD GLN A 50 -2.991 0.539 -8.806 1.00 0.00 C ATOM 770 OE1 GLN A 50 -3.945 0.777 -9.548 1.00 0.00 O ATOM 771 NE2 GLN A 50 -2.401 1.479 -8.077 1.00 0.00 N ATOM 0 H GLN A 50 -2.852 -3.976 -7.585 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.621 -2.128 -7.277 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.631 -1.974 -7.303 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -2.720 -0.667 -6.573 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.361 -0.843 -8.889 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -2.889 -1.501 -9.439 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.613 1.238 -7.475 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.735 2.442 -8.119 1.00 0.00 H new ATOM 780 N VAL A 51 -2.465 -3.164 -4.737 1.00 0.00 N ATOM 781 CA VAL A 51 -2.494 -3.286 -3.284 1.00 0.00 C ATOM 782 C VAL A 51 -1.335 -4.138 -2.781 1.00 0.00 C ATOM 783 O VAL A 51 -0.896 -3.998 -1.639 1.00 0.00 O ATOM 784 CB VAL A 51 -3.820 -3.903 -2.799 1.00 0.00 C ATOM 785 CG1 VAL A 51 -3.660 -4.480 -1.401 1.00 0.00 C ATOM 786 CG2 VAL A 51 -4.933 -2.867 -2.834 1.00 0.00 C ATOM 0 H VAL A 51 -3.245 -3.616 -5.214 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.402 -2.278 -2.880 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.091 -4.716 -3.472 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.606 -4.911 -1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.893 -5.254 -1.413 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.366 -3.688 -0.712 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.862 -3.320 -2.488 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.673 -2.031 -2.184 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.063 -2.507 -3.854 1.00 0.00 H new ATOM 796 N LYS A 52 -0.842 -5.024 -3.640 1.00 0.00 N ATOM 797 CA LYS A 52 0.268 -5.899 -3.285 1.00 0.00 C ATOM 798 C LYS A 52 1.569 -5.110 -3.170 1.00 0.00 C ATOM 799 O LYS A 52 2.241 -5.151 -2.140 1.00 0.00 O ATOM 800 CB LYS A 52 0.423 -7.009 -4.327 1.00 0.00 C ATOM 801 CG LYS A 52 -0.382 -8.258 -4.010 1.00 0.00 C ATOM 802 CD LYS A 52 -0.622 -9.097 -5.254 1.00 0.00 C ATOM 803 CE LYS A 52 0.616 -9.893 -5.636 1.00 0.00 C ATOM 804 NZ LYS A 52 0.871 -11.011 -4.686 1.00 0.00 N ATOM 0 H LYS A 52 -1.195 -5.155 -4.588 1.00 0.00 H new ATOM 0 HA LYS A 52 0.049 -6.347 -2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.117 -6.627 -5.301 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.477 -7.277 -4.407 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.146 -8.853 -3.265 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.339 -7.974 -3.571 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.455 -9.778 -5.080 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.909 -8.449 -6.082 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.495 -10.292 -6.643 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.481 -9.231 -5.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.894 -11.098 -4.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.388 -10.818 -3.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.509 -11.899 -5.089 1.00 0.00 H new ATOM 818 N ILE A 53 1.915 -4.392 -4.234 1.00 0.00 N ATOM 819 CA ILE A 53 3.133 -3.592 -4.250 1.00 0.00 C ATOM 820 C ILE A 53 3.112 -2.536 -3.151 1.00 0.00 C ATOM 821 O ILE A 53 4.127 -2.280 -2.502 1.00 0.00 O ATOM 822 CB ILE A 53 3.332 -2.898 -5.610 1.00 0.00 C ATOM 823 CG1 ILE A 53 3.332 -3.930 -6.739 1.00 0.00 C ATOM 824 CG2 ILE A 53 4.628 -2.101 -5.614 1.00 0.00 C ATOM 825 CD1 ILE A 53 3.191 -3.320 -8.116 1.00 0.00 C ATOM 0 H ILE A 53 1.369 -4.348 -5.095 1.00 0.00 H new ATOM 0 HA ILE A 53 3.963 -4.277 -4.076 1.00 0.00 H new ATOM 0 HB ILE A 53 2.504 -2.208 -5.773 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.259 -4.502 -6.697 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.515 -4.634 -6.577 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.754 -1.616 -6.582 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.592 -1.343 -4.831 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.468 -2.771 -5.432 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.199 -4.110 -8.867 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.251 -2.771 -8.176 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.021 -2.638 -8.299 1.00 0.00 H new ATOM 837 N TRP A 54 1.950 -1.926 -2.946 1.00 0.00 N ATOM 838 CA TRP A 54 1.796 -0.898 -1.923 1.00 0.00 C ATOM 839 C TRP A 54 2.203 -1.428 -0.553 1.00 0.00 C ATOM 840 O TRP A 54 2.837 -0.723 0.233 1.00 0.00 O ATOM 841 CB TRP A 54 0.350 -0.402 -1.883 1.00 0.00 C ATOM 842 CG TRP A 54 0.145 0.758 -0.957 1.00 0.00 C ATOM 843 CD1 TRP A 54 -0.074 2.059 -1.309 1.00 0.00 C ATOM 844 CD2 TRP A 54 0.143 0.722 0.474 1.00 0.00 C ATOM 845 NE1 TRP A 54 -0.213 2.835 -0.183 1.00 0.00 N ATOM 846 CE2 TRP A 54 -0.085 2.038 0.924 1.00 0.00 C ATOM 847 CE3 TRP A 54 0.309 -0.293 1.420 1.00 0.00 C ATOM 848 CZ2 TRP A 54 -0.148 2.361 2.276 1.00 0.00 C ATOM 849 CZ3 TRP A 54 0.245 0.030 2.762 1.00 0.00 C ATOM 850 CH2 TRP A 54 0.018 1.348 3.180 1.00 0.00 C ATOM 0 H TRP A 54 1.101 -2.125 -3.475 1.00 0.00 H new ATOM 0 HA TRP A 54 2.451 -0.065 -2.179 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.045 -0.113 -2.889 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.299 -1.222 -1.576 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -0.130 2.425 -2.324 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.384 3.841 -0.173 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.484 -1.312 1.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.322 3.376 2.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.372 -0.747 3.501 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.027 1.568 4.236 1.00 0.00 H new ATOM 861 N PHE A 55 1.835 -2.674 -0.272 1.00 0.00 N ATOM 862 CA PHE A 55 2.161 -3.298 1.005 1.00 0.00 C ATOM 863 C PHE A 55 3.619 -3.748 1.033 1.00 0.00 C ATOM 864 O PHE A 55 4.340 -3.488 1.996 1.00 0.00 O ATOM 865 CB PHE A 55 1.242 -4.493 1.262 1.00 0.00 C ATOM 866 CG PHE A 55 -0.053 -4.121 1.926 1.00 0.00 C ATOM 867 CD1 PHE A 55 -0.961 -3.291 1.288 1.00 0.00 C ATOM 868 CD2 PHE A 55 -0.364 -4.602 3.188 1.00 0.00 C ATOM 869 CE1 PHE A 55 -2.153 -2.947 1.897 1.00 0.00 C ATOM 870 CE2 PHE A 55 -1.554 -4.261 3.802 1.00 0.00 C ATOM 871 CZ PHE A 55 -2.450 -3.433 3.154 1.00 0.00 C ATOM 0 H PHE A 55 1.311 -3.271 -0.912 1.00 0.00 H new ATOM 0 HA PHE A 55 2.012 -2.558 1.791 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.027 -4.986 0.314 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.766 -5.217 1.886 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.735 -2.909 0.304 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.332 -5.251 3.698 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.852 -2.298 1.390 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.783 -4.641 4.787 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.382 -3.166 3.631 1.00 0.00 H new ATOM 881 N GLN A 56 4.044 -4.425 -0.029 1.00 0.00 N ATOM 882 CA GLN A 56 5.415 -4.913 -0.125 1.00 0.00 C ATOM 883 C GLN A 56 6.408 -3.757 -0.077 1.00 0.00 C ATOM 884 O GLN A 56 7.192 -3.638 0.863 1.00 0.00 O ATOM 885 CB GLN A 56 5.605 -5.711 -1.416 1.00 0.00 C ATOM 886 CG GLN A 56 6.859 -6.571 -1.421 1.00 0.00 C ATOM 887 CD GLN A 56 7.311 -6.936 -2.821 1.00 0.00 C ATOM 888 OE1 GLN A 56 6.674 -6.566 -3.807 1.00 0.00 O ATOM 889 NE2 GLN A 56 8.417 -7.665 -2.915 1.00 0.00 N ATOM 0 H GLN A 56 3.459 -4.648 -0.834 1.00 0.00 H new ATOM 0 HA GLN A 56 5.603 -5.565 0.728 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.736 -6.350 -1.569 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.645 -5.020 -2.258 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.662 -6.039 -0.911 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.672 -7.483 -0.854 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.913 -7.950 -2.071 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.770 -7.940 -3.832 1.00 0.00 H new ATOM 898 N ASN A 57 6.369 -2.906 -1.098 1.00 0.00 N ATOM 899 CA ASN A 57 7.267 -1.760 -1.172 1.00 0.00 C ATOM 900 C ASN A 57 7.262 -0.978 0.138 1.00 0.00 C ATOM 901 O ASN A 57 8.263 -0.369 0.515 1.00 0.00 O ATOM 902 CB ASN A 57 6.862 -0.842 -2.328 1.00 0.00 C ATOM 903 CG ASN A 57 7.445 -1.291 -3.654 1.00 0.00 C ATOM 904 OD1 ASN A 57 8.300 -2.175 -3.702 1.00 0.00 O ATOM 905 ND2 ASN A 57 6.983 -0.681 -4.740 1.00 0.00 N ATOM 0 H ASN A 57 5.725 -2.989 -1.885 1.00 0.00 H new ATOM 0 HA ASN A 57 8.276 -2.132 -1.348 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.775 -0.814 -2.403 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.193 0.174 -2.114 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.338 -0.940 -5.660 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.274 0.047 -4.653 1.00 0.00 H new ATOM 912 N LYS A 58 6.127 -1.002 0.829 1.00 0.00 N ATOM 913 CA LYS A 58 5.990 -0.298 2.099 1.00 0.00 C ATOM 914 C LYS A 58 6.856 -0.944 3.176 1.00 0.00 C ATOM 915 O LYS A 58 7.548 -0.255 3.925 1.00 0.00 O ATOM 916 CB LYS A 58 4.526 -0.289 2.545 1.00 0.00 C ATOM 917 CG LYS A 58 3.755 0.933 2.075 1.00 0.00 C ATOM 918 CD LYS A 58 3.853 2.073 3.075 1.00 0.00 C ATOM 919 CE LYS A 58 3.168 3.328 2.557 1.00 0.00 C ATOM 920 NZ LYS A 58 4.105 4.196 1.791 1.00 0.00 N ATOM 0 H LYS A 58 5.289 -1.501 0.531 1.00 0.00 H new ATOM 0 HA LYS A 58 6.326 0.729 1.955 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.034 -1.186 2.168 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.486 -0.337 3.633 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.143 1.260 1.110 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.708 0.668 1.925 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.398 1.771 4.018 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.901 2.288 3.282 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.330 3.047 1.919 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.756 3.889 3.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.600 5.041 1.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.892 4.485 2.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.478 3.669 0.976 1.00 0.00 H new ATOM 934 N ARG A 59 6.815 -2.270 3.245 1.00 0.00 N ATOM 935 CA ARG A 59 7.596 -3.009 4.230 1.00 0.00 C ATOM 936 C ARG A 59 9.075 -2.643 4.136 1.00 0.00 C ATOM 937 O ARG A 59 9.719 -2.357 5.145 1.00 0.00 O ATOM 938 CB ARG A 59 7.419 -4.515 4.028 1.00 0.00 C ATOM 939 CG ARG A 59 6.188 -5.081 4.716 1.00 0.00 C ATOM 940 CD ARG A 59 6.125 -6.595 4.589 1.00 0.00 C ATOM 941 NE ARG A 59 7.291 -7.243 5.184 1.00 0.00 N ATOM 942 CZ ARG A 59 8.440 -7.424 4.541 1.00 0.00 C ATOM 943 NH1 ARG A 59 8.576 -7.007 3.290 1.00 0.00 N ATOM 944 NH2 ARG A 59 9.455 -8.022 5.151 1.00 0.00 N ATOM 0 H ARG A 59 6.249 -2.855 2.630 1.00 0.00 H new ATOM 0 HA ARG A 59 7.234 -2.738 5.222 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.357 -4.725 2.960 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.303 -5.030 4.403 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.199 -4.803 5.770 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.291 -4.641 4.280 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.220 -6.962 5.073 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.057 -6.868 3.536 1.00 0.00 H new ATOM 0 HE ARG A 59 7.220 -7.575 6.146 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.798 -6.546 2.819 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.459 -7.147 2.799 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.354 -8.343 6.114 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.337 -8.161 4.657 1.00 0.00 H new ATOM 958 N SER A 60 9.606 -2.654 2.917 1.00 0.00 N ATOM 959 CA SER A 60 11.009 -2.328 2.692 1.00 0.00 C ATOM 960 C SER A 60 11.343 -0.949 3.254 1.00 0.00 C ATOM 961 O SER A 60 12.452 -0.713 3.733 1.00 0.00 O ATOM 962 CB SER A 60 11.331 -2.373 1.197 1.00 0.00 C ATOM 963 OG SER A 60 11.250 -3.697 0.698 1.00 0.00 O ATOM 0 H SER A 60 9.086 -2.885 2.071 1.00 0.00 H new ATOM 0 HA SER A 60 11.617 -3.070 3.210 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.637 -1.733 0.653 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.332 -1.977 1.025 1.00 0.00 H new ATOM 0 HG SER A 60 11.458 -3.699 -0.260 1.00 0.00 H new ATOM 969 N LYS A 61 10.375 -0.042 3.192 1.00 0.00 N ATOM 970 CA LYS A 61 10.563 1.314 3.695 1.00 0.00 C ATOM 971 C LYS A 61 10.735 1.313 5.211 1.00 0.00 C ATOM 972 O LYS A 61 11.551 2.059 5.753 1.00 0.00 O ATOM 973 CB LYS A 61 9.373 2.194 3.306 1.00 0.00 C ATOM 974 CG LYS A 61 9.729 3.661 3.142 1.00 0.00 C ATOM 975 CD LYS A 61 8.754 4.372 2.219 1.00 0.00 C ATOM 976 CE LYS A 61 8.988 5.875 2.212 1.00 0.00 C ATOM 977 NZ LYS A 61 8.463 6.524 3.445 1.00 0.00 N ATOM 0 H LYS A 61 9.451 -0.221 2.798 1.00 0.00 H new ATOM 0 HA LYS A 61 11.469 1.720 3.245 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.949 1.825 2.372 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.598 2.100 4.067 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.729 4.148 4.117 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.739 3.749 2.742 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.859 3.982 1.207 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.732 4.163 2.537 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.056 6.076 2.122 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.507 6.313 1.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.565 7.556 3.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.458 6.284 3.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.999 6.186 4.270 1.00 0.00 H new ATOM 991 N ILE A 62 9.962 0.470 5.888 1.00 0.00 N ATOM 992 CA ILE A 62 10.032 0.371 7.341 1.00 0.00 C ATOM 993 C ILE A 62 11.478 0.292 7.818 1.00 0.00 C ATOM 994 O ILE A 62 12.077 -0.783 7.844 1.00 0.00 O ATOM 995 CB ILE A 62 9.264 -0.860 7.858 1.00 0.00 C ATOM 996 CG1 ILE A 62 7.809 -0.815 7.388 1.00 0.00 C ATOM 997 CG2 ILE A 62 9.334 -0.928 9.377 1.00 0.00 C ATOM 998 CD1 ILE A 62 6.945 -1.901 7.992 1.00 0.00 C ATOM 0 H ILE A 62 9.281 -0.153 5.454 1.00 0.00 H new ATOM 0 HA ILE A 62 9.569 1.273 7.742 1.00 0.00 H new ATOM 0 HB ILE A 62 9.730 -1.758 7.451 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.385 0.157 7.639 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.784 -0.904 6.302 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.787 -1.803 9.728 1.00 0.00 H new ATOM 0 HG22 ILE A 62 10.375 -1.002 9.690 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.890 -0.028 9.802 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.927 -1.808 7.614 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.345 -2.878 7.720 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.940 -1.800 9.077 1.00 0.00 H new ATOM 1010 N LYS A 63 12.033 1.438 8.198 1.00 0.00 N ATOM 1011 CA LYS A 63 13.408 1.500 8.678 1.00 0.00 C ATOM 1012 C LYS A 63 13.555 0.765 10.006 1.00 0.00 C ATOM 1013 O LYS A 63 14.408 -0.110 10.153 1.00 0.00 O ATOM 1014 CB LYS A 63 13.849 2.957 8.838 1.00 0.00 C ATOM 1015 CG LYS A 63 14.438 3.557 7.574 1.00 0.00 C ATOM 1016 CD LYS A 63 14.480 5.074 7.643 1.00 0.00 C ATOM 1017 CE LYS A 63 13.189 5.692 7.129 1.00 0.00 C ATOM 1018 NZ LYS A 63 13.395 7.085 6.645 1.00 0.00 N ATOM 0 H LYS A 63 11.551 2.337 8.183 1.00 0.00 H new ATOM 0 HA LYS A 63 14.046 1.012 7.941 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.992 3.555 9.149 1.00 0.00 H new ATOM 0 HB3 LYS A 63 14.587 3.018 9.637 1.00 0.00 H new ATOM 0 HG2 LYS A 63 15.446 3.171 7.423 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.845 3.247 6.713 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.650 5.388 8.673 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.320 5.443 7.055 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.791 5.081 6.319 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.444 5.690 7.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.492 7.471 6.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.750 7.674 7.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.087 7.084 5.869 1.00 0.00 H new ATOM 1032 N LYS A 64 12.716 1.125 10.972 1.00 0.00 N ATOM 1033 CA LYS A 64 12.749 0.498 12.288 1.00 0.00 C ATOM 1034 C LYS A 64 12.281 -0.952 12.212 1.00 0.00 C ATOM 1035 O LYS A 64 11.825 -1.413 11.165 1.00 0.00 O ATOM 1036 CB LYS A 64 11.872 1.278 13.270 1.00 0.00 C ATOM 1037 CG LYS A 64 10.435 1.439 12.805 1.00 0.00 C ATOM 1038 CD LYS A 64 9.651 2.359 13.726 1.00 0.00 C ATOM 1039 CE LYS A 64 8.229 2.566 13.228 1.00 0.00 C ATOM 1040 NZ LYS A 64 8.186 3.427 12.014 1.00 0.00 N ATOM 0 H LYS A 64 12.004 1.848 10.868 1.00 0.00 H new ATOM 0 HA LYS A 64 13.780 0.510 12.643 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.879 0.769 14.234 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.307 2.265 13.428 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.422 1.840 11.792 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.952 0.463 12.767 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.628 1.937 14.731 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.157 3.322 13.797 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.779 1.599 13.004 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.630 3.021 14.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.197 3.642 11.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.698 4.313 12.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.634 2.928 11.219 1.00 0.00 H new ATOM 1054 N SER A 65 12.394 -1.665 13.328 1.00 0.00 N ATOM 1055 CA SER A 65 11.984 -3.063 13.386 1.00 0.00 C ATOM 1056 C SER A 65 10.645 -3.207 14.103 1.00 0.00 C ATOM 1057 O SER A 65 10.270 -2.365 14.917 1.00 0.00 O ATOM 1058 CB SER A 65 13.049 -3.900 14.099 1.00 0.00 C ATOM 1059 OG SER A 65 14.188 -4.082 13.276 1.00 0.00 O ATOM 0 H SER A 65 12.766 -1.298 14.204 1.00 0.00 H new ATOM 0 HA SER A 65 11.871 -3.425 12.364 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.341 -3.409 15.027 1.00 0.00 H new ATOM 0 HB3 SER A 65 12.633 -4.870 14.370 1.00 0.00 H new ATOM 0 HG SER A 65 14.855 -4.618 13.754 1.00 0.00 H new ATOM 1065 N GLY A 66 9.927 -4.283 13.793 1.00 0.00 N ATOM 1066 CA GLY A 66 8.638 -4.519 14.415 1.00 0.00 C ATOM 1067 C GLY A 66 8.380 -5.989 14.676 1.00 0.00 C ATOM 1068 O GLY A 66 8.790 -6.541 15.698 1.00 0.00 O ATOM 0 H GLY A 66 10.216 -4.995 13.122 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.587 -3.972 15.356 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.851 -4.124 13.773 1.00 0.00 H new ATOM 1072 N PRO A 67 7.684 -6.648 13.738 1.00 0.00 N ATOM 1073 CA PRO A 67 7.356 -8.073 13.851 1.00 0.00 C ATOM 1074 C PRO A 67 8.585 -8.964 13.704 1.00 0.00 C ATOM 1075 O PRO A 67 8.526 -10.166 13.963 1.00 0.00 O ATOM 1076 CB PRO A 67 6.385 -8.305 12.690 1.00 0.00 C ATOM 1077 CG PRO A 67 6.723 -7.248 11.696 1.00 0.00 C ATOM 1078 CD PRO A 67 7.164 -6.054 12.496 1.00 0.00 C ATOM 0 HA PRO A 67 6.941 -8.320 14.828 1.00 0.00 H new ATOM 0 HB2 PRO A 67 6.507 -9.301 12.265 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.349 -8.223 13.018 1.00 0.00 H new ATOM 0 HG2 PRO A 67 7.514 -7.582 11.025 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.860 -7.005 11.076 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.930 -5.481 11.973 1.00 0.00 H new ATOM 0 HD3 PRO A 67 6.335 -5.374 12.692 1.00 0.00 H new ATOM 1086 N SER A 68 9.697 -8.367 13.288 1.00 0.00 N ATOM 1087 CA SER A 68 10.939 -9.108 13.104 1.00 0.00 C ATOM 1088 C SER A 68 11.969 -8.713 14.159 1.00 0.00 C ATOM 1089 O SER A 68 11.872 -7.648 14.768 1.00 0.00 O ATOM 1090 CB SER A 68 11.504 -8.858 11.705 1.00 0.00 C ATOM 1091 OG SER A 68 12.747 -9.516 11.532 1.00 0.00 O ATOM 0 H SER A 68 9.763 -7.372 13.072 1.00 0.00 H new ATOM 0 HA SER A 68 10.720 -10.170 13.215 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.795 -9.210 10.955 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.631 -7.787 11.547 1.00 0.00 H new ATOM 0 HG SER A 68 13.086 -9.342 10.629 1.00 0.00 H new ATOM 1097 N SER A 69 12.955 -9.579 14.368 1.00 0.00 N ATOM 1098 CA SER A 69 14.001 -9.323 15.351 1.00 0.00 C ATOM 1099 C SER A 69 15.279 -10.077 14.993 1.00 0.00 C ATOM 1100 O SER A 69 15.233 -11.151 14.394 1.00 0.00 O ATOM 1101 CB SER A 69 13.529 -9.732 16.747 1.00 0.00 C ATOM 1102 OG SER A 69 14.327 -9.130 17.752 1.00 0.00 O ATOM 0 H SER A 69 13.052 -10.464 13.870 1.00 0.00 H new ATOM 0 HA SER A 69 14.216 -8.254 15.346 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.487 -9.440 16.882 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.572 -10.817 16.845 1.00 0.00 H new ATOM 0 HG SER A 69 14.004 -9.406 18.635 1.00 0.00 H new ATOM 1108 N GLY A 70 16.420 -9.504 15.364 1.00 0.00 N ATOM 1109 CA GLY A 70 17.695 -10.134 15.074 1.00 0.00 C ATOM 1110 C GLY A 70 18.808 -9.124 14.876 1.00 0.00 C ATOM 1111 O GLY A 70 19.987 -9.474 14.924 1.00 0.00 O ATOM 0 H GLY A 70 16.484 -8.615 15.860 1.00 0.00 H new ATOM 0 HA2 GLY A 70 17.959 -10.806 15.891 1.00 0.00 H new ATOM 0 HA3 GLY A 70 17.599 -10.745 14.177 1.00 0.00 H new TER 1115 GLY A 70