USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 725 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 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 40 TYR OH : rot 180:sc=-0.00606 USER MOD Set 2.1: A 24 ASN : amide:sc= -0.928 K(o=-2.2,f=-0.5) USER MOD Set 2.2: A 78 GLN : amide:sc= -1.23 K(o=-2.2,f=-0.14) USER MOD Set 3.1: A 16 SER OG : rot 127:sc= 1.2 USER MOD Set 3.2: A 56 GLN : amide:sc= -4.55! C(o=-3.4!,f=-5.9!) 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 180:sc= 0 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0526 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= 1.05 K(o=1,f=-0.63) USER MOD Single : A 25 THR OG1 : rot -120:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 156:sc= -2.8! USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 154:sc= -0.0164 (180deg=-0.278) USER MOD Single : A 57 TYR OH : rot -165:sc= -3.05 USER MOD Single : A 59 ASN : amide:sc= -0.0158 X(o=-0.016,f=-0.057) USER MOD Single : A 62 ASN : amide:sc= -0.0558 K(o=-0.056,f=-1.4!) USER MOD Single : A 74 MET CE :methyl 159:sc= 0 (180deg=-0.395) USER MOD Single : A 83 ASN : amide:sc= -3.29! C(o=-3.3!,f=-3.1!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.19 K(o=-0.19,f=-1.1) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.505 13.730 -2.121 1.00 0.00 N ATOM 2 CA GLY A 1 27.932 13.478 -2.222 1.00 0.00 C ATOM 3 C GLY A 1 28.215 11.981 -2.363 1.00 0.00 C ATOM 4 O GLY A 1 28.537 11.506 -3.451 1.00 0.00 O ATOM 0 H1 GLY A 1 26.339 14.752 -2.026 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.029 13.380 -2.977 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.124 13.239 -1.287 1.00 0.00 H new ATOM 0 HA2 GLY A 1 28.339 14.011 -3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 1 28.437 13.866 -1.337 1.00 0.00 H new ATOM 8 N SER A 2 28.085 11.279 -1.247 1.00 0.00 N ATOM 9 CA SER A 2 28.324 9.846 -1.232 1.00 0.00 C ATOM 10 C SER A 2 27.286 9.152 -0.347 1.00 0.00 C ATOM 11 O SER A 2 26.556 8.277 -0.811 1.00 0.00 O ATOM 12 CB SER A 2 29.737 9.528 -0.741 1.00 0.00 C ATOM 13 OG SER A 2 30.669 9.441 -1.815 1.00 0.00 O ATOM 0 H SER A 2 27.817 11.676 -0.346 1.00 0.00 H new ATOM 0 HA SER A 2 28.231 9.473 -2.252 1.00 0.00 H new ATOM 0 HB2 SER A 2 30.060 10.300 -0.042 1.00 0.00 H new ATOM 0 HB3 SER A 2 29.727 8.586 -0.193 1.00 0.00 H new ATOM 0 HG SER A 2 31.560 9.238 -1.460 1.00 0.00 H new ATOM 19 N SER A 3 27.253 9.569 0.910 1.00 0.00 N ATOM 20 CA SER A 3 26.316 8.999 1.863 1.00 0.00 C ATOM 21 C SER A 3 26.644 7.523 2.100 1.00 0.00 C ATOM 22 O SER A 3 26.500 6.699 1.198 1.00 0.00 O ATOM 23 CB SER A 3 24.874 9.150 1.376 1.00 0.00 C ATOM 24 OG SER A 3 23.935 8.658 2.328 1.00 0.00 O ATOM 0 H SER A 3 27.860 10.295 1.291 1.00 0.00 H new ATOM 0 HA SER A 3 26.412 9.542 2.803 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.668 10.201 1.173 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.751 8.614 0.435 1.00 0.00 H new ATOM 0 HG SER A 3 23.026 8.774 1.981 1.00 0.00 H new ATOM 30 N GLY A 4 27.079 7.235 3.318 1.00 0.00 N ATOM 31 CA GLY A 4 27.429 5.873 3.684 1.00 0.00 C ATOM 32 C GLY A 4 26.175 5.038 3.954 1.00 0.00 C ATOM 33 O GLY A 4 25.790 4.207 3.133 1.00 0.00 O ATOM 0 H GLY A 4 27.197 7.921 4.063 1.00 0.00 H new ATOM 0 HA2 GLY A 4 28.010 5.415 2.883 1.00 0.00 H new ATOM 0 HA3 GLY A 4 28.062 5.882 4.571 1.00 0.00 H new ATOM 37 N SER A 5 25.573 5.289 5.107 1.00 0.00 N ATOM 38 CA SER A 5 24.370 4.571 5.495 1.00 0.00 C ATOM 39 C SER A 5 24.675 3.079 5.637 1.00 0.00 C ATOM 40 O SER A 5 25.718 2.609 5.186 1.00 0.00 O ATOM 41 CB SER A 5 23.247 4.790 4.479 1.00 0.00 C ATOM 42 OG SER A 5 22.329 5.793 4.906 1.00 0.00 O ATOM 0 H SER A 5 25.895 5.979 5.785 1.00 0.00 H new ATOM 0 HA SER A 5 24.034 4.959 6.456 1.00 0.00 H new ATOM 0 HB2 SER A 5 23.677 5.077 3.519 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.713 3.853 4.321 1.00 0.00 H new ATOM 0 HG SER A 5 21.628 5.904 4.230 1.00 0.00 H new ATOM 48 N SER A 6 23.745 2.375 6.266 1.00 0.00 N ATOM 49 CA SER A 6 23.901 0.945 6.473 1.00 0.00 C ATOM 50 C SER A 6 23.903 0.219 5.127 1.00 0.00 C ATOM 51 O SER A 6 23.087 0.515 4.256 1.00 0.00 O ATOM 52 CB SER A 6 22.791 0.395 7.371 1.00 0.00 C ATOM 53 OG SER A 6 23.005 0.719 8.743 1.00 0.00 O ATOM 0 H SER A 6 22.881 2.768 6.639 1.00 0.00 H new ATOM 0 HA SER A 6 24.854 0.773 6.973 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.831 0.798 7.049 1.00 0.00 H new ATOM 0 HB3 SER A 6 22.736 -0.688 7.258 1.00 0.00 H new ATOM 0 HG SER A 6 22.275 0.352 9.284 1.00 0.00 H new ATOM 59 N GLY A 7 24.830 -0.719 4.998 1.00 0.00 N ATOM 60 CA GLY A 7 24.950 -1.491 3.773 1.00 0.00 C ATOM 61 C GLY A 7 24.022 -2.707 3.798 1.00 0.00 C ATOM 62 O GLY A 7 23.955 -3.421 4.798 1.00 0.00 O ATOM 0 H GLY A 7 25.506 -0.962 5.723 1.00 0.00 H new ATOM 0 HA2 GLY A 7 24.707 -0.861 2.917 1.00 0.00 H new ATOM 0 HA3 GLY A 7 25.982 -1.819 3.645 1.00 0.00 H new ATOM 66 N LYS A 8 23.329 -2.906 2.686 1.00 0.00 N ATOM 67 CA LYS A 8 22.408 -4.023 2.568 1.00 0.00 C ATOM 68 C LYS A 8 21.273 -3.853 3.581 1.00 0.00 C ATOM 69 O LYS A 8 21.276 -2.908 4.367 1.00 0.00 O ATOM 70 CB LYS A 8 23.156 -5.351 2.701 1.00 0.00 C ATOM 71 CG LYS A 8 22.518 -6.431 1.826 1.00 0.00 C ATOM 72 CD LYS A 8 23.445 -6.822 0.673 1.00 0.00 C ATOM 73 CE LYS A 8 22.643 -7.290 -0.542 1.00 0.00 C ATOM 74 NZ LYS A 8 22.313 -6.144 -1.419 1.00 0.00 N ATOM 0 H LYS A 8 23.387 -2.312 1.859 1.00 0.00 H new ATOM 0 HA LYS A 8 21.953 -4.037 1.578 1.00 0.00 H new ATOM 0 HB2 LYS A 8 24.199 -5.215 2.414 1.00 0.00 H new ATOM 0 HB3 LYS A 8 23.151 -5.672 3.743 1.00 0.00 H new ATOM 0 HG2 LYS A 8 22.295 -7.309 2.431 1.00 0.00 H new ATOM 0 HG3 LYS A 8 21.570 -6.069 1.428 1.00 0.00 H new ATOM 0 HD2 LYS A 8 24.066 -5.970 0.397 1.00 0.00 H new ATOM 0 HD3 LYS A 8 24.118 -7.616 0.996 1.00 0.00 H new ATOM 0 HE2 LYS A 8 23.217 -8.030 -1.101 1.00 0.00 H new ATOM 0 HE3 LYS A 8 21.726 -7.780 -0.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.768 -6.480 -2.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 21.747 -5.452 -0.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 23.191 -5.694 -1.748 1.00 0.00 H new ATOM 88 N THR A 9 20.331 -4.783 3.527 1.00 0.00 N ATOM 89 CA THR A 9 19.193 -4.747 4.430 1.00 0.00 C ATOM 90 C THR A 9 18.914 -6.143 4.991 1.00 0.00 C ATOM 91 O THR A 9 19.286 -7.146 4.384 1.00 0.00 O ATOM 92 CB THR A 9 18.007 -4.149 3.672 1.00 0.00 C ATOM 93 OG1 THR A 9 16.964 -4.100 4.641 1.00 0.00 O ATOM 94 CG2 THR A 9 17.468 -5.088 2.591 1.00 0.00 C ATOM 0 H THR A 9 20.332 -5.565 2.873 1.00 0.00 H new ATOM 0 HA THR A 9 19.395 -4.117 5.296 1.00 0.00 H new ATOM 0 HB THR A 9 18.307 -3.206 3.216 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.156 -3.723 4.234 1.00 0.00 H new ATOM 0 HG21 THR A 9 16.627 -4.614 2.084 1.00 0.00 H new ATOM 0 HG22 THR A 9 18.255 -5.300 1.868 1.00 0.00 H new ATOM 0 HG23 THR A 9 17.137 -6.019 3.050 1.00 0.00 H new ATOM 102 N ASP A 10 18.260 -6.163 6.143 1.00 0.00 N ATOM 103 CA ASP A 10 17.926 -7.419 6.793 1.00 0.00 C ATOM 104 C ASP A 10 16.406 -7.597 6.799 1.00 0.00 C ATOM 105 O ASP A 10 15.663 -6.618 6.833 1.00 0.00 O ATOM 106 CB ASP A 10 18.409 -7.434 8.245 1.00 0.00 C ATOM 107 CG ASP A 10 19.731 -6.705 8.493 1.00 0.00 C ATOM 108 OD1 ASP A 10 20.620 -6.828 7.623 1.00 0.00 O ATOM 109 OD2 ASP A 10 19.823 -6.041 9.548 1.00 0.00 O ATOM 0 H ASP A 10 17.952 -5.329 6.643 1.00 0.00 H new ATOM 0 HA ASP A 10 18.414 -8.223 6.242 1.00 0.00 H new ATOM 0 HB2 ASP A 10 17.640 -6.984 8.873 1.00 0.00 H new ATOM 0 HB3 ASP A 10 18.517 -8.470 8.566 1.00 0.00 H new ATOM 114 N PRO A 11 15.979 -8.888 6.764 1.00 0.00 N ATOM 115 CA PRO A 11 14.561 -9.207 6.765 1.00 0.00 C ATOM 116 C PRO A 11 13.955 -9.007 8.156 1.00 0.00 C ATOM 117 O PRO A 11 13.414 -9.944 8.742 1.00 0.00 O ATOM 118 CB PRO A 11 14.482 -10.646 6.284 1.00 0.00 C ATOM 119 CG PRO A 11 15.873 -11.227 6.476 1.00 0.00 C ATOM 120 CD PRO A 11 16.830 -10.073 6.724 1.00 0.00 C ATOM 0 HA PRO A 11 13.981 -8.551 6.115 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.742 -11.208 6.854 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.181 -10.692 5.237 1.00 0.00 H new ATOM 0 HG2 PRO A 11 15.884 -11.920 7.317 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.176 -11.791 5.594 1.00 0.00 H new ATOM 0 HD2 PRO A 11 17.372 -10.203 7.660 1.00 0.00 H new ATOM 0 HD3 PRO A 11 17.575 -9.999 5.932 1.00 0.00 H new ATOM 128 N ARG A 12 14.067 -7.780 8.644 1.00 0.00 N ATOM 129 CA ARG A 12 13.536 -7.446 9.955 1.00 0.00 C ATOM 130 C ARG A 12 13.481 -5.927 10.133 1.00 0.00 C ATOM 131 O ARG A 12 12.496 -5.394 10.642 1.00 0.00 O ATOM 132 CB ARG A 12 14.394 -8.052 11.067 1.00 0.00 C ATOM 133 CG ARG A 12 13.542 -8.889 12.023 1.00 0.00 C ATOM 134 CD ARG A 12 14.251 -10.193 12.392 1.00 0.00 C ATOM 135 NE ARG A 12 13.811 -10.648 13.730 1.00 0.00 N ATOM 136 CZ ARG A 12 12.624 -11.217 13.976 1.00 0.00 C ATOM 137 NH1 ARG A 12 11.750 -11.405 12.978 1.00 0.00 N ATOM 138 NH2 ARG A 12 12.310 -11.599 15.222 1.00 0.00 N ATOM 0 H ARG A 12 14.517 -7.006 8.156 1.00 0.00 H new ATOM 0 HA ARG A 12 12.530 -7.860 10.021 1.00 0.00 H new ATOM 0 HB2 ARG A 12 15.175 -8.675 10.630 1.00 0.00 H new ATOM 0 HB3 ARG A 12 14.893 -7.257 11.621 1.00 0.00 H new ATOM 0 HG2 ARG A 12 13.334 -8.316 12.927 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.581 -9.112 11.559 1.00 0.00 H new ATOM 0 HD2 ARG A 12 14.031 -10.959 11.648 1.00 0.00 H new ATOM 0 HD3 ARG A 12 15.331 -10.044 12.387 1.00 0.00 H new ATOM 0 HE ARG A 12 14.452 -10.520 14.513 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.989 -11.115 12.030 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.846 -11.839 13.167 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.975 -11.456 15.982 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.406 -12.032 15.410 1.00 0.00 H new ATOM 152 N SER A 13 14.551 -5.273 9.704 1.00 0.00 N ATOM 153 CA SER A 13 14.636 -3.827 9.810 1.00 0.00 C ATOM 154 C SER A 13 13.789 -3.171 8.717 1.00 0.00 C ATOM 155 O SER A 13 12.985 -3.837 8.067 1.00 0.00 O ATOM 156 CB SER A 13 16.087 -3.352 9.712 1.00 0.00 C ATOM 157 OG SER A 13 16.527 -2.728 10.915 1.00 0.00 O ATOM 0 H SER A 13 15.366 -5.718 9.282 1.00 0.00 H new ATOM 0 HA SER A 13 14.250 -3.533 10.786 1.00 0.00 H new ATOM 0 HB2 SER A 13 16.732 -4.201 9.487 1.00 0.00 H new ATOM 0 HB3 SER A 13 16.184 -2.650 8.883 1.00 0.00 H new ATOM 0 HG SER A 13 17.458 -2.440 10.813 1.00 0.00 H new ATOM 163 N MET A 14 13.997 -1.874 8.550 1.00 0.00 N ATOM 164 CA MET A 14 13.263 -1.121 7.547 1.00 0.00 C ATOM 165 C MET A 14 11.781 -1.503 7.551 1.00 0.00 C ATOM 166 O MET A 14 11.339 -2.296 6.721 1.00 0.00 O ATOM 167 CB MET A 14 13.858 -1.396 6.165 1.00 0.00 C ATOM 168 CG MET A 14 15.236 -0.748 6.022 1.00 0.00 C ATOM 169 SD MET A 14 15.219 0.437 4.687 1.00 0.00 S ATOM 170 CE MET A 14 16.116 1.778 5.451 1.00 0.00 C ATOM 0 H MET A 14 14.664 -1.325 9.092 1.00 0.00 H new ATOM 0 HA MET A 14 13.346 -0.060 7.783 1.00 0.00 H new ATOM 0 HB2 MET A 14 13.940 -2.472 6.008 1.00 0.00 H new ATOM 0 HB3 MET A 14 13.190 -1.011 5.394 1.00 0.00 H new ATOM 0 HG2 MET A 14 15.513 -0.255 6.954 1.00 0.00 H new ATOM 0 HG3 MET A 14 15.988 -1.513 5.830 1.00 0.00 H new ATOM 0 HE1 MET A 14 16.198 2.608 4.749 1.00 0.00 H new ATOM 0 HE2 MET A 14 15.585 2.109 6.344 1.00 0.00 H new ATOM 0 HE3 MET A 14 17.114 1.437 5.728 1.00 0.00 H new ATOM 180 N ASN A 15 11.055 -0.921 8.495 1.00 0.00 N ATOM 181 CA ASN A 15 9.633 -1.191 8.617 1.00 0.00 C ATOM 182 C ASN A 15 8.857 -0.234 7.711 1.00 0.00 C ATOM 183 O ASN A 15 8.239 0.717 8.189 1.00 0.00 O ATOM 184 CB ASN A 15 9.153 -0.975 10.054 1.00 0.00 C ATOM 185 CG ASN A 15 9.026 -2.307 10.796 1.00 0.00 C ATOM 186 OD1 ASN A 15 8.002 -2.970 10.763 1.00 0.00 O ATOM 187 ND2 ASN A 15 10.120 -2.661 11.464 1.00 0.00 N ATOM 0 H ASN A 15 11.425 -0.264 9.182 1.00 0.00 H new ATOM 0 HA ASN A 15 9.461 -2.229 8.331 1.00 0.00 H new ATOM 0 HB2 ASN A 15 9.853 -0.326 10.581 1.00 0.00 H new ATOM 0 HB3 ASN A 15 8.189 -0.465 10.047 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.136 -3.534 11.991 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.943 -2.059 11.450 1.00 0.00 H new ATOM 194 N SER A 16 8.913 -0.518 6.418 1.00 0.00 N ATOM 195 CA SER A 16 8.223 0.306 5.440 1.00 0.00 C ATOM 196 C SER A 16 7.402 -0.577 4.498 1.00 0.00 C ATOM 197 O SER A 16 7.938 -1.141 3.546 1.00 0.00 O ATOM 198 CB SER A 16 9.211 1.159 4.642 1.00 0.00 C ATOM 199 OG SER A 16 10.270 0.377 4.095 1.00 0.00 O ATOM 0 H SER A 16 9.426 -1.307 6.025 1.00 0.00 H new ATOM 0 HA SER A 16 7.552 0.980 5.973 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.682 1.668 3.836 1.00 0.00 H new ATOM 0 HB3 SER A 16 9.627 1.932 5.288 1.00 0.00 H new ATOM 0 HG SER A 16 10.333 0.541 3.131 1.00 0.00 H new ATOM 205 N ARG A 17 6.114 -0.669 4.797 1.00 0.00 N ATOM 206 CA ARG A 17 5.214 -1.473 3.988 1.00 0.00 C ATOM 207 C ARG A 17 3.821 -0.840 3.955 1.00 0.00 C ATOM 208 O ARG A 17 3.240 -0.556 5.001 1.00 0.00 O ATOM 209 CB ARG A 17 5.107 -2.898 4.536 1.00 0.00 C ATOM 210 CG ARG A 17 5.332 -3.929 3.428 1.00 0.00 C ATOM 211 CD ARG A 17 5.089 -5.349 3.944 1.00 0.00 C ATOM 212 NE ARG A 17 6.025 -6.292 3.292 1.00 0.00 N ATOM 213 CZ ARG A 17 5.847 -6.799 2.064 1.00 0.00 C ATOM 214 NH1 ARG A 17 4.767 -6.457 1.348 1.00 0.00 N ATOM 215 NH2 ARG A 17 6.748 -7.648 1.552 1.00 0.00 N ATOM 0 H ARG A 17 5.673 -0.200 5.588 1.00 0.00 H new ATOM 0 HA ARG A 17 5.622 -1.514 2.978 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.842 -3.043 5.328 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.124 -3.047 4.982 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.663 -3.722 2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.351 -3.845 3.049 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.223 -5.380 5.025 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.060 -5.647 3.742 1.00 0.00 H new ATOM 0 HE ARG A 17 6.858 -6.574 3.809 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.081 -5.811 1.738 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.632 -6.843 0.414 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.570 -7.909 2.097 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.612 -8.034 0.617 1.00 0.00 H new ATOM 229 N VAL A 18 3.327 -0.639 2.742 1.00 0.00 N ATOM 230 CA VAL A 18 2.014 -0.045 2.559 1.00 0.00 C ATOM 231 C VAL A 18 1.078 -1.074 1.922 1.00 0.00 C ATOM 232 O VAL A 18 1.451 -1.747 0.963 1.00 0.00 O ATOM 233 CB VAL A 18 2.131 1.243 1.742 1.00 0.00 C ATOM 234 CG1 VAL A 18 0.760 1.891 1.540 1.00 0.00 C ATOM 235 CG2 VAL A 18 3.109 2.221 2.397 1.00 0.00 C ATOM 0 H VAL A 18 3.812 -0.877 1.877 1.00 0.00 H new ATOM 0 HA VAL A 18 1.584 0.234 3.521 1.00 0.00 H new ATOM 0 HB VAL A 18 2.526 0.982 0.760 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.872 2.805 0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.105 1.199 1.010 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.325 2.131 2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.174 3.128 1.796 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.757 2.473 3.397 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.094 1.760 2.465 1.00 0.00 H new ATOM 245 N PHE A 19 -0.120 -1.163 2.481 1.00 0.00 N ATOM 246 CA PHE A 19 -1.112 -2.099 1.979 1.00 0.00 C ATOM 247 C PHE A 19 -2.179 -1.376 1.153 1.00 0.00 C ATOM 248 O PHE A 19 -3.107 -0.790 1.708 1.00 0.00 O ATOM 249 CB PHE A 19 -1.777 -2.742 3.198 1.00 0.00 C ATOM 250 CG PHE A 19 -3.167 -3.317 2.917 1.00 0.00 C ATOM 251 CD1 PHE A 19 -3.432 -3.902 1.718 1.00 0.00 C ATOM 252 CD2 PHE A 19 -4.137 -3.244 3.867 1.00 0.00 C ATOM 253 CE1 PHE A 19 -4.722 -4.435 1.458 1.00 0.00 C ATOM 254 CE2 PHE A 19 -5.427 -3.778 3.607 1.00 0.00 C ATOM 255 CZ PHE A 19 -5.692 -4.362 2.408 1.00 0.00 C ATOM 0 H PHE A 19 -0.426 -0.603 3.276 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.634 -2.840 1.338 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.134 -3.539 3.572 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.856 -1.998 3.991 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.661 -3.961 0.964 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.926 -2.780 4.819 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.933 -4.898 0.506 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.198 -3.720 4.362 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.673 -4.768 2.210 1.00 0.00 H new ATOM 265 N ILE A 20 -2.011 -1.442 -0.159 1.00 0.00 N ATOM 266 CA ILE A 20 -2.948 -0.802 -1.067 1.00 0.00 C ATOM 267 C ILE A 20 -4.126 -1.743 -1.324 1.00 0.00 C ATOM 268 O ILE A 20 -3.956 -2.811 -1.910 1.00 0.00 O ATOM 269 CB ILE A 20 -2.234 -0.348 -2.341 1.00 0.00 C ATOM 270 CG1 ILE A 20 -1.053 0.567 -2.012 1.00 0.00 C ATOM 271 CG2 ILE A 20 -3.214 0.309 -3.315 1.00 0.00 C ATOM 272 CD1 ILE A 20 0.264 -0.038 -2.503 1.00 0.00 C ATOM 0 H ILE A 20 -1.240 -1.929 -0.616 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.356 0.104 -0.618 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.829 -1.230 -2.838 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.204 1.542 -2.475 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.003 0.730 -0.935 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.680 0.622 -4.212 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.991 -0.405 -3.586 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.670 1.179 -2.841 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.087 0.633 -2.256 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.424 -1.002 -2.020 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.220 -0.177 -3.583 1.00 0.00 H new ATOM 284 N GLY A 21 -5.295 -1.312 -0.873 1.00 0.00 N ATOM 285 CA GLY A 21 -6.502 -2.103 -1.047 1.00 0.00 C ATOM 286 C GLY A 21 -7.466 -1.424 -2.022 1.00 0.00 C ATOM 287 O GLY A 21 -7.286 -0.258 -2.368 1.00 0.00 O ATOM 0 H GLY A 21 -5.432 -0.426 -0.387 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.241 -3.094 -1.418 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.992 -2.242 -0.083 1.00 0.00 H new ATOM 291 N ASN A 22 -8.470 -2.184 -2.437 1.00 0.00 N ATOM 292 CA ASN A 22 -9.463 -1.670 -3.364 1.00 0.00 C ATOM 293 C ASN A 22 -8.755 -1.040 -4.566 1.00 0.00 C ATOM 294 O ASN A 22 -9.149 0.027 -5.033 1.00 0.00 O ATOM 295 CB ASN A 22 -10.327 -0.593 -2.706 1.00 0.00 C ATOM 296 CG ASN A 22 -11.687 -0.481 -3.398 1.00 0.00 C ATOM 297 OD1 ASN A 22 -12.521 -1.369 -3.331 1.00 0.00 O ATOM 298 ND2 ASN A 22 -11.862 0.656 -4.066 1.00 0.00 N ATOM 0 H ASN A 22 -8.616 -3.151 -2.148 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.097 -2.501 -3.673 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.470 -0.831 -1.652 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.813 0.367 -2.749 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -12.736 0.826 -4.563 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.122 1.358 -4.081 1.00 0.00 H new ATOM 305 N LEU A 23 -7.723 -1.728 -5.031 1.00 0.00 N ATOM 306 CA LEU A 23 -6.956 -1.249 -6.169 1.00 0.00 C ATOM 307 C LEU A 23 -7.546 -1.829 -7.456 1.00 0.00 C ATOM 308 O LEU A 23 -7.503 -3.039 -7.673 1.00 0.00 O ATOM 309 CB LEU A 23 -5.469 -1.557 -5.981 1.00 0.00 C ATOM 310 CG LEU A 23 -4.494 -0.514 -6.530 1.00 0.00 C ATOM 311 CD1 LEU A 23 -3.044 -0.954 -6.319 1.00 0.00 C ATOM 312 CD2 LEU A 23 -4.791 -0.204 -7.998 1.00 0.00 C ATOM 0 H LEU A 23 -7.400 -2.613 -4.641 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.026 -0.164 -6.246 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.276 -1.681 -4.915 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.253 -2.513 -6.457 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.634 0.411 -5.971 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.372 -0.195 -6.718 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.854 -1.083 -5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.872 -1.899 -6.835 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.083 0.540 -8.363 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.696 -1.115 -8.589 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.805 0.184 -8.090 1.00 0.00 H new ATOM 324 N ASN A 24 -8.084 -0.938 -8.276 1.00 0.00 N ATOM 325 CA ASN A 24 -8.682 -1.346 -9.536 1.00 0.00 C ATOM 326 C ASN A 24 -7.583 -1.825 -10.486 1.00 0.00 C ATOM 327 O ASN A 24 -7.335 -1.204 -11.518 1.00 0.00 O ATOM 328 CB ASN A 24 -9.409 -0.177 -10.205 1.00 0.00 C ATOM 329 CG ASN A 24 -10.593 -0.671 -11.038 1.00 0.00 C ATOM 330 OD1 ASN A 24 -11.383 -1.497 -10.612 1.00 0.00 O ATOM 331 ND2 ASN A 24 -10.671 -0.122 -12.246 1.00 0.00 N ATOM 0 H ASN A 24 -8.118 0.065 -8.092 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.396 -2.143 -9.328 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.761 0.520 -9.444 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.715 0.370 -10.842 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.426 -0.387 -12.879 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -9.976 0.564 -12.540 1.00 0.00 H new ATOM 338 N THR A 25 -6.953 -2.926 -10.103 1.00 0.00 N ATOM 339 CA THR A 25 -5.886 -3.496 -10.908 1.00 0.00 C ATOM 340 C THR A 25 -6.377 -3.764 -12.332 1.00 0.00 C ATOM 341 O THR A 25 -5.574 -3.929 -13.249 1.00 0.00 O ATOM 342 CB THR A 25 -5.375 -4.750 -10.196 1.00 0.00 C ATOM 343 OG1 THR A 25 -6.451 -5.678 -10.311 1.00 0.00 O ATOM 344 CG2 THR A 25 -5.220 -4.545 -8.688 1.00 0.00 C ATOM 0 H THR A 25 -7.161 -3.438 -9.246 1.00 0.00 H new ATOM 0 HA THR A 25 -5.053 -2.800 -11.010 1.00 0.00 H new ATOM 0 HB THR A 25 -4.416 -5.044 -10.623 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.754 -5.939 -9.417 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.855 -5.465 -8.231 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.509 -3.740 -8.501 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.186 -4.284 -8.255 1.00 0.00 H new ATOM 352 N LEU A 26 -7.694 -3.798 -12.473 1.00 0.00 N ATOM 353 CA LEU A 26 -8.302 -4.043 -13.770 1.00 0.00 C ATOM 354 C LEU A 26 -7.948 -2.896 -14.719 1.00 0.00 C ATOM 355 O LEU A 26 -8.155 -2.998 -15.927 1.00 0.00 O ATOM 356 CB LEU A 26 -9.806 -4.276 -13.622 1.00 0.00 C ATOM 357 CG LEU A 26 -10.280 -5.722 -13.783 1.00 0.00 C ATOM 358 CD1 LEU A 26 -11.754 -5.862 -13.396 1.00 0.00 C ATOM 359 CD2 LEU A 26 -10.009 -6.233 -15.199 1.00 0.00 C ATOM 0 H LEU A 26 -8.357 -3.660 -11.710 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.904 -4.957 -14.211 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.113 -3.921 -12.638 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.323 -3.661 -14.359 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.706 -6.348 -13.099 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.066 -6.899 -13.519 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.887 -5.565 -12.356 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.361 -5.222 -14.037 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.355 -7.263 -15.287 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.539 -5.609 -15.919 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.939 -6.192 -15.402 1.00 0.00 H new ATOM 371 N VAL A 27 -7.420 -1.829 -14.136 1.00 0.00 N ATOM 372 CA VAL A 27 -7.035 -0.664 -14.914 1.00 0.00 C ATOM 373 C VAL A 27 -5.704 -0.122 -14.388 1.00 0.00 C ATOM 374 O VAL A 27 -4.793 0.156 -15.166 1.00 0.00 O ATOM 375 CB VAL A 27 -8.157 0.376 -14.888 1.00 0.00 C ATOM 376 CG1 VAL A 27 -7.750 1.640 -15.649 1.00 0.00 C ATOM 377 CG2 VAL A 27 -9.457 -0.206 -15.446 1.00 0.00 C ATOM 0 H VAL A 27 -7.250 -1.747 -13.134 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.885 -0.935 -15.959 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.334 0.653 -13.849 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.565 2.363 -15.615 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.862 2.072 -15.188 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.533 1.386 -16.687 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.238 0.554 -15.416 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.300 -0.525 -16.476 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.760 -1.062 -14.844 1.00 0.00 H new ATOM 387 N VAL A 28 -5.635 0.012 -13.072 1.00 0.00 N ATOM 388 CA VAL A 28 -4.431 0.516 -12.434 1.00 0.00 C ATOM 389 C VAL A 28 -3.295 -0.489 -12.631 1.00 0.00 C ATOM 390 O VAL A 28 -3.470 -1.683 -12.393 1.00 0.00 O ATOM 391 CB VAL A 28 -4.709 0.822 -10.960 1.00 0.00 C ATOM 392 CG1 VAL A 28 -3.655 1.774 -10.390 1.00 0.00 C ATOM 393 CG2 VAL A 28 -6.118 1.390 -10.775 1.00 0.00 C ATOM 0 H VAL A 28 -6.393 -0.220 -12.430 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.119 1.453 -12.894 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.650 -0.115 -10.406 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.875 1.975 -9.342 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.669 1.316 -10.472 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.669 2.709 -10.950 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.290 1.599 -9.719 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.217 2.312 -11.348 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.852 0.664 -11.126 1.00 0.00 H new ATOM 403 N LYS A 29 -2.156 0.031 -13.065 1.00 0.00 N ATOM 404 CA LYS A 29 -0.992 -0.807 -13.297 1.00 0.00 C ATOM 405 C LYS A 29 0.001 -0.622 -12.148 1.00 0.00 C ATOM 406 O LYS A 29 -0.218 0.199 -11.259 1.00 0.00 O ATOM 407 CB LYS A 29 -0.395 -0.524 -14.677 1.00 0.00 C ATOM 408 CG LYS A 29 -0.485 -1.758 -15.577 1.00 0.00 C ATOM 409 CD LYS A 29 0.330 -2.917 -15.002 1.00 0.00 C ATOM 410 CE LYS A 29 1.830 -2.624 -15.080 1.00 0.00 C ATOM 411 NZ LYS A 29 2.407 -3.201 -16.315 1.00 0.00 N ATOM 0 H LYS A 29 -2.015 1.022 -13.262 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.276 -1.859 -13.307 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.923 0.309 -15.142 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.647 -0.222 -14.571 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.527 -2.059 -15.684 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.121 -1.512 -16.574 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.043 -3.089 -13.965 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.105 -3.832 -15.551 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.998 -1.547 -15.062 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.334 -3.040 -14.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.425 -2.993 -16.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.264 -4.231 -16.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.938 -2.785 -17.145 1.00 0.00 H new ATOM 425 N LYS A 30 1.073 -1.400 -12.203 1.00 0.00 N ATOM 426 CA LYS A 30 2.100 -1.332 -11.178 1.00 0.00 C ATOM 427 C LYS A 30 2.867 -0.015 -11.316 1.00 0.00 C ATOM 428 O LYS A 30 3.247 0.594 -10.317 1.00 0.00 O ATOM 429 CB LYS A 30 2.994 -2.573 -11.233 1.00 0.00 C ATOM 430 CG LYS A 30 3.079 -3.248 -9.863 1.00 0.00 C ATOM 431 CD LYS A 30 2.631 -4.709 -9.943 1.00 0.00 C ATOM 432 CE LYS A 30 3.782 -5.655 -9.594 1.00 0.00 C ATOM 433 NZ LYS A 30 4.607 -5.932 -10.791 1.00 0.00 N ATOM 0 H LYS A 30 1.252 -2.080 -12.942 1.00 0.00 H new ATOM 0 HA LYS A 30 1.649 -1.336 -10.186 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.600 -3.277 -11.966 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.993 -2.292 -11.566 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.103 -3.198 -9.492 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.454 -2.711 -9.149 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.798 -4.876 -9.260 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.268 -4.927 -10.947 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.401 -5.212 -8.813 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.385 -6.588 -9.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.383 -6.575 -10.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.017 -6.374 -11.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.001 -5.041 -11.155 1.00 0.00 H new ATOM 447 N SER A 31 3.071 0.386 -12.562 1.00 0.00 N ATOM 448 CA SER A 31 3.785 1.619 -12.844 1.00 0.00 C ATOM 449 C SER A 31 2.936 2.822 -12.428 1.00 0.00 C ATOM 450 O SER A 31 3.432 3.946 -12.370 1.00 0.00 O ATOM 451 CB SER A 31 4.153 1.716 -14.326 1.00 0.00 C ATOM 452 OG SER A 31 5.509 1.348 -14.564 1.00 0.00 O ATOM 0 H SER A 31 2.754 -0.122 -13.388 1.00 0.00 H new ATOM 0 HA SER A 31 4.710 1.618 -12.267 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.495 1.069 -14.906 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.987 2.735 -14.675 1.00 0.00 H new ATOM 0 HG SER A 31 5.705 1.421 -15.521 1.00 0.00 H new ATOM 458 N ASP A 32 1.670 2.545 -12.151 1.00 0.00 N ATOM 459 CA ASP A 32 0.748 3.591 -11.742 1.00 0.00 C ATOM 460 C ASP A 32 0.794 3.740 -10.220 1.00 0.00 C ATOM 461 O ASP A 32 0.570 4.828 -9.692 1.00 0.00 O ATOM 462 CB ASP A 32 -0.688 3.244 -12.140 1.00 0.00 C ATOM 463 CG ASP A 32 -0.915 3.054 -13.641 1.00 0.00 C ATOM 464 OD1 ASP A 32 0.070 3.226 -14.391 1.00 0.00 O ATOM 465 OD2 ASP A 32 -2.069 2.740 -14.005 1.00 0.00 O ATOM 0 H ASP A 32 1.261 1.612 -12.202 1.00 0.00 H new ATOM 0 HA ASP A 32 1.046 4.516 -12.236 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.981 2.329 -11.625 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.349 4.035 -11.785 1.00 0.00 H new ATOM 470 N VAL A 33 1.085 2.630 -9.558 1.00 0.00 N ATOM 471 CA VAL A 33 1.163 2.623 -8.107 1.00 0.00 C ATOM 472 C VAL A 33 2.617 2.828 -7.677 1.00 0.00 C ATOM 473 O VAL A 33 2.885 3.176 -6.529 1.00 0.00 O ATOM 474 CB VAL A 33 0.553 1.332 -7.556 1.00 0.00 C ATOM 475 CG1 VAL A 33 0.549 1.337 -6.026 1.00 0.00 C ATOM 476 CG2 VAL A 33 -0.856 1.112 -8.108 1.00 0.00 C ATOM 0 H VAL A 33 1.270 1.729 -10.000 1.00 0.00 H new ATOM 0 HA VAL A 33 0.582 3.445 -7.690 1.00 0.00 H new ATOM 0 HB VAL A 33 1.175 0.500 -7.886 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.110 0.409 -5.660 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.572 1.424 -5.660 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.038 2.182 -5.666 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.266 0.188 -7.701 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.493 1.949 -7.823 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.814 1.042 -9.195 1.00 0.00 H new ATOM 486 N GLU A 34 3.517 2.604 -8.624 1.00 0.00 N ATOM 487 CA GLU A 34 4.937 2.761 -8.358 1.00 0.00 C ATOM 488 C GLU A 34 5.382 4.189 -8.675 1.00 0.00 C ATOM 489 O GLU A 34 6.377 4.669 -8.133 1.00 0.00 O ATOM 490 CB GLU A 34 5.758 1.741 -9.150 1.00 0.00 C ATOM 491 CG GLU A 34 6.024 0.485 -8.317 1.00 0.00 C ATOM 492 CD GLU A 34 6.916 -0.498 -9.078 1.00 0.00 C ATOM 493 OE1 GLU A 34 6.498 -0.906 -10.183 1.00 0.00 O ATOM 494 OE2 GLU A 34 7.996 -0.819 -8.537 1.00 0.00 O ATOM 0 H GLU A 34 3.290 2.315 -9.576 1.00 0.00 H new ATOM 0 HA GLU A 34 5.112 2.575 -7.298 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.226 1.471 -10.062 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.705 2.188 -9.453 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.501 0.762 -7.377 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.079 0.004 -8.065 1.00 0.00 H new ATOM 501 N ALA A 35 4.624 4.830 -9.553 1.00 0.00 N ATOM 502 CA ALA A 35 4.928 6.195 -9.949 1.00 0.00 C ATOM 503 C ALA A 35 4.142 7.165 -9.066 1.00 0.00 C ATOM 504 O ALA A 35 4.702 8.127 -8.542 1.00 0.00 O ATOM 505 CB ALA A 35 4.616 6.376 -11.436 1.00 0.00 C ATOM 0 H ALA A 35 3.800 4.429 -10.001 1.00 0.00 H new ATOM 0 HA ALA A 35 5.988 6.408 -9.810 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.844 7.400 -11.734 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.222 5.684 -12.022 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.560 6.173 -11.614 1.00 0.00 H new ATOM 511 N ILE A 36 2.856 6.880 -8.927 1.00 0.00 N ATOM 512 CA ILE A 36 1.987 7.715 -8.116 1.00 0.00 C ATOM 513 C ILE A 36 2.527 7.767 -6.686 1.00 0.00 C ATOM 514 O ILE A 36 2.376 8.776 -5.998 1.00 0.00 O ATOM 515 CB ILE A 36 0.538 7.231 -8.210 1.00 0.00 C ATOM 516 CG1 ILE A 36 0.007 7.363 -9.638 1.00 0.00 C ATOM 517 CG2 ILE A 36 -0.349 7.959 -7.198 1.00 0.00 C ATOM 518 CD1 ILE A 36 -1.317 6.614 -9.802 1.00 0.00 C ATOM 0 H ILE A 36 2.394 6.082 -9.363 1.00 0.00 H new ATOM 0 HA ILE A 36 1.982 8.738 -8.492 1.00 0.00 H new ATOM 0 HB ILE A 36 0.514 6.171 -7.956 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.134 8.416 -9.881 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.741 6.969 -10.341 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.373 7.597 -7.285 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.018 7.769 -6.189 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.325 9.030 -7.397 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.673 6.724 -10.826 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.167 5.557 -9.581 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.056 7.027 -9.115 1.00 0.00 H new ATOM 530 N PHE A 37 3.145 6.668 -6.280 1.00 0.00 N ATOM 531 CA PHE A 37 3.708 6.576 -4.944 1.00 0.00 C ATOM 532 C PHE A 37 5.180 6.995 -4.939 1.00 0.00 C ATOM 533 O PHE A 37 5.759 7.227 -3.879 1.00 0.00 O ATOM 534 CB PHE A 37 3.606 5.111 -4.515 1.00 0.00 C ATOM 535 CG PHE A 37 2.171 4.626 -4.294 1.00 0.00 C ATOM 536 CD1 PHE A 37 1.275 4.666 -5.316 1.00 0.00 C ATOM 537 CD2 PHE A 37 1.793 4.155 -3.076 1.00 0.00 C ATOM 538 CE1 PHE A 37 -0.056 4.217 -5.111 1.00 0.00 C ATOM 539 CE2 PHE A 37 0.462 3.705 -2.870 1.00 0.00 C ATOM 540 CZ PHE A 37 -0.435 3.745 -3.892 1.00 0.00 C ATOM 0 H PHE A 37 3.268 5.833 -6.853 1.00 0.00 H new ATOM 0 HA PHE A 37 3.167 7.237 -4.267 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.077 4.487 -5.275 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.171 4.973 -3.594 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.576 5.039 -6.284 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.505 4.123 -2.265 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.768 4.250 -5.922 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.162 3.331 -1.902 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.447 3.402 -3.736 1.00 0.00 H new ATOM 550 N SER A 38 5.742 7.078 -6.136 1.00 0.00 N ATOM 551 CA SER A 38 7.135 7.465 -6.283 1.00 0.00 C ATOM 552 C SER A 38 7.324 8.918 -5.842 1.00 0.00 C ATOM 553 O SER A 38 8.438 9.335 -5.528 1.00 0.00 O ATOM 554 CB SER A 38 7.608 7.283 -7.727 1.00 0.00 C ATOM 555 OG SER A 38 8.717 8.122 -8.035 1.00 0.00 O ATOM 0 H SER A 38 5.258 6.884 -7.013 1.00 0.00 H new ATOM 0 HA SER A 38 7.739 6.817 -5.647 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.885 6.241 -7.889 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.786 7.504 -8.408 1.00 0.00 H new ATOM 0 HG SER A 38 8.990 7.975 -8.965 1.00 0.00 H new ATOM 561 N LYS A 39 6.219 9.648 -5.833 1.00 0.00 N ATOM 562 CA LYS A 39 6.249 11.046 -5.435 1.00 0.00 C ATOM 563 C LYS A 39 6.253 11.137 -3.908 1.00 0.00 C ATOM 564 O LYS A 39 6.502 12.203 -3.347 1.00 0.00 O ATOM 565 CB LYS A 39 5.103 11.815 -6.095 1.00 0.00 C ATOM 566 CG LYS A 39 3.759 11.443 -5.465 1.00 0.00 C ATOM 567 CD LYS A 39 2.602 11.764 -6.414 1.00 0.00 C ATOM 568 CE LYS A 39 1.758 12.922 -5.878 1.00 0.00 C ATOM 569 NZ LYS A 39 0.371 12.476 -5.619 1.00 0.00 N ATOM 0 H LYS A 39 5.297 9.299 -6.095 1.00 0.00 H new ATOM 0 HA LYS A 39 7.165 11.523 -5.785 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.273 12.887 -5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.081 11.597 -7.163 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.749 10.381 -5.220 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.629 11.987 -4.529 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.995 12.021 -7.398 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.976 10.881 -6.541 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.200 13.307 -4.959 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.755 13.741 -6.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.188 13.274 -5.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.053 12.130 -6.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.378 11.710 -4.916 1.00 0.00 H new ATOM 583 N TYR A 40 5.973 10.005 -3.279 1.00 0.00 N ATOM 584 CA TYR A 40 5.941 9.944 -1.827 1.00 0.00 C ATOM 585 C TYR A 40 7.188 9.246 -1.280 1.00 0.00 C ATOM 586 O TYR A 40 7.219 8.845 -0.118 1.00 0.00 O ATOM 587 CB TYR A 40 4.707 9.115 -1.467 1.00 0.00 C ATOM 588 CG TYR A 40 3.386 9.874 -1.603 1.00 0.00 C ATOM 589 CD1 TYR A 40 3.303 11.192 -1.202 1.00 0.00 C ATOM 590 CD2 TYR A 40 2.277 9.241 -2.127 1.00 0.00 C ATOM 591 CE1 TYR A 40 2.059 11.907 -1.330 1.00 0.00 C ATOM 592 CE2 TYR A 40 1.033 9.956 -2.255 1.00 0.00 C ATOM 593 CZ TYR A 40 0.986 11.254 -1.850 1.00 0.00 C ATOM 594 OH TYR A 40 -0.189 11.929 -1.971 1.00 0.00 O ATOM 0 H TYR A 40 5.766 9.123 -3.748 1.00 0.00 H new ATOM 0 HA TYR A 40 5.909 10.947 -1.401 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.675 8.233 -2.107 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.807 8.761 -0.441 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.171 11.687 -0.792 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.342 8.210 -2.441 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.981 12.939 -1.020 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.158 9.473 -2.663 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.868 11.338 -2.359 1.00 0.00 H new ATOM 604 N GLY A 41 8.184 9.121 -2.144 1.00 0.00 N ATOM 605 CA GLY A 41 9.430 8.478 -1.762 1.00 0.00 C ATOM 606 C GLY A 41 9.877 7.473 -2.825 1.00 0.00 C ATOM 607 O GLY A 41 9.229 7.330 -3.861 1.00 0.00 O ATOM 0 H GLY A 41 8.154 9.454 -3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.204 9.232 -1.621 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.303 7.969 -0.806 1.00 0.00 H new ATOM 611 N LYS A 42 10.982 6.803 -2.533 1.00 0.00 N ATOM 612 CA LYS A 42 11.523 5.815 -3.451 1.00 0.00 C ATOM 613 C LYS A 42 10.987 4.431 -3.079 1.00 0.00 C ATOM 614 O LYS A 42 11.010 4.046 -1.911 1.00 0.00 O ATOM 615 CB LYS A 42 13.051 5.895 -3.484 1.00 0.00 C ATOM 616 CG LYS A 42 13.644 4.726 -4.273 1.00 0.00 C ATOM 617 CD LYS A 42 14.694 5.215 -5.272 1.00 0.00 C ATOM 618 CE LYS A 42 15.512 4.046 -5.825 1.00 0.00 C ATOM 619 NZ LYS A 42 16.957 4.360 -5.783 1.00 0.00 N ATOM 0 H LYS A 42 11.518 6.925 -1.674 1.00 0.00 H new ATOM 0 HA LYS A 42 11.194 6.021 -4.470 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.360 6.837 -3.936 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.441 5.887 -2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.096 4.011 -3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.850 4.200 -4.803 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.204 5.740 -6.092 1.00 0.00 H new ATOM 0 HD3 LYS A 42 15.358 5.930 -4.786 1.00 0.00 H new ATOM 0 HE2 LYS A 42 15.312 3.147 -5.242 1.00 0.00 H new ATOM 0 HE3 LYS A 42 15.209 3.835 -6.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 17.498 3.557 -6.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 17.145 5.206 -6.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 17.245 4.539 -4.800 1.00 0.00 H new ATOM 633 N ILE A 43 10.517 3.721 -4.094 1.00 0.00 N ATOM 634 CA ILE A 43 9.976 2.389 -3.888 1.00 0.00 C ATOM 635 C ILE A 43 11.070 1.352 -4.154 1.00 0.00 C ATOM 636 O ILE A 43 11.834 1.482 -5.109 1.00 0.00 O ATOM 637 CB ILE A 43 8.718 2.185 -4.734 1.00 0.00 C ATOM 638 CG1 ILE A 43 7.644 3.214 -4.376 1.00 0.00 C ATOM 639 CG2 ILE A 43 8.200 0.750 -4.609 1.00 0.00 C ATOM 640 CD1 ILE A 43 6.442 3.102 -5.315 1.00 0.00 C ATOM 0 H ILE A 43 10.500 4.043 -5.062 1.00 0.00 H new ATOM 0 HA ILE A 43 9.660 2.262 -2.852 1.00 0.00 H new ATOM 0 HB ILE A 43 8.981 2.343 -5.780 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.320 3.064 -3.346 1.00 0.00 H new ATOM 0 HG13 ILE A 43 8.064 4.218 -4.435 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.305 0.632 -5.220 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.967 0.055 -4.951 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.958 0.540 -3.567 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.694 3.845 -5.038 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.765 3.277 -6.341 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.010 2.104 -5.235 1.00 0.00 H new ATOM 652 N VAL A 44 11.111 0.347 -3.291 1.00 0.00 N ATOM 653 CA VAL A 44 12.098 -0.710 -3.420 1.00 0.00 C ATOM 654 C VAL A 44 11.401 -2.004 -3.847 1.00 0.00 C ATOM 655 O VAL A 44 12.017 -2.871 -4.465 1.00 0.00 O ATOM 656 CB VAL A 44 12.883 -0.856 -2.115 1.00 0.00 C ATOM 657 CG1 VAL A 44 13.497 0.479 -1.692 1.00 0.00 C ATOM 658 CG2 VAL A 44 11.999 -1.429 -1.005 1.00 0.00 C ATOM 0 H VAL A 44 10.476 0.243 -2.500 1.00 0.00 H new ATOM 0 HA VAL A 44 12.824 -0.461 -4.194 1.00 0.00 H new ATOM 0 HB VAL A 44 13.698 -1.558 -2.291 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.049 0.347 -0.762 1.00 0.00 H new ATOM 0 HG12 VAL A 44 14.175 0.830 -2.470 1.00 0.00 H new ATOM 0 HG13 VAL A 44 12.705 1.213 -1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.581 -1.523 -0.088 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.154 -0.762 -0.832 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.631 -2.411 -1.303 1.00 0.00 H new ATOM 668 N GLY A 45 10.126 -2.093 -3.500 1.00 0.00 N ATOM 669 CA GLY A 45 9.338 -3.266 -3.839 1.00 0.00 C ATOM 670 C GLY A 45 7.844 -2.937 -3.855 1.00 0.00 C ATOM 671 O GLY A 45 7.280 -2.542 -2.836 1.00 0.00 O ATOM 0 H GLY A 45 9.618 -1.372 -2.987 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.642 -3.643 -4.816 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.532 -4.060 -3.117 1.00 0.00 H new ATOM 675 N CYS A 46 7.245 -3.112 -5.024 1.00 0.00 N ATOM 676 CA CYS A 46 5.827 -2.839 -5.186 1.00 0.00 C ATOM 677 C CYS A 46 5.192 -4.019 -5.924 1.00 0.00 C ATOM 678 O CYS A 46 5.699 -4.457 -6.955 1.00 0.00 O ATOM 679 CB CYS A 46 5.586 -1.515 -5.914 1.00 0.00 C ATOM 680 SG CYS A 46 3.793 -1.269 -6.188 1.00 0.00 S ATOM 0 H CYS A 46 7.716 -3.439 -5.868 1.00 0.00 H new ATOM 0 HA CYS A 46 5.361 -2.730 -4.207 1.00 0.00 H new ATOM 0 HB2 CYS A 46 5.989 -0.689 -5.328 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.112 -1.515 -6.869 1.00 0.00 H new ATOM 0 HG CYS A 46 3.544 0.000 -6.318 1.00 0.00 H new ATOM 686 N SER A 47 4.091 -4.501 -5.366 1.00 0.00 N ATOM 687 CA SER A 47 3.381 -5.623 -5.958 1.00 0.00 C ATOM 688 C SER A 47 1.877 -5.342 -5.972 1.00 0.00 C ATOM 689 O SER A 47 1.345 -4.744 -5.037 1.00 0.00 O ATOM 690 CB SER A 47 3.672 -6.920 -5.202 1.00 0.00 C ATOM 691 OG SER A 47 5.070 -7.160 -5.071 1.00 0.00 O ATOM 0 H SER A 47 3.673 -4.135 -4.510 1.00 0.00 H new ATOM 0 HA SER A 47 3.730 -5.746 -6.983 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.218 -6.872 -4.212 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.208 -7.756 -5.725 1.00 0.00 H new ATOM 0 HG SER A 47 5.214 -7.997 -4.581 1.00 0.00 H new ATOM 697 N VAL A 48 1.234 -5.785 -7.042 1.00 0.00 N ATOM 698 CA VAL A 48 -0.198 -5.589 -7.189 1.00 0.00 C ATOM 699 C VAL A 48 -0.874 -6.944 -7.410 1.00 0.00 C ATOM 700 O VAL A 48 -0.613 -7.617 -8.406 1.00 0.00 O ATOM 701 CB VAL A 48 -0.477 -4.592 -8.315 1.00 0.00 C ATOM 702 CG1 VAL A 48 -1.968 -4.259 -8.397 1.00 0.00 C ATOM 703 CG2 VAL A 48 0.360 -3.322 -8.142 1.00 0.00 C ATOM 0 H VAL A 48 1.678 -6.279 -7.816 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.620 -5.159 -6.280 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.187 -5.060 -9.256 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.138 -3.548 -9.206 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.534 -5.170 -8.590 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.295 -3.821 -7.454 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.143 -2.630 -8.955 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.115 -2.852 -7.190 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.419 -3.579 -8.157 1.00 0.00 H new ATOM 713 N HIS A 49 -1.730 -7.304 -6.464 1.00 0.00 N ATOM 714 CA HIS A 49 -2.445 -8.566 -6.543 1.00 0.00 C ATOM 715 C HIS A 49 -3.935 -8.299 -6.766 1.00 0.00 C ATOM 716 O HIS A 49 -4.533 -7.478 -6.071 1.00 0.00 O ATOM 717 CB HIS A 49 -2.175 -9.422 -5.304 1.00 0.00 C ATOM 718 CG HIS A 49 -0.709 -9.647 -5.021 1.00 0.00 C ATOM 719 ND1 HIS A 49 -0.007 -10.731 -5.518 1.00 0.00 N ATOM 720 CD2 HIS A 49 0.180 -8.916 -4.287 1.00 0.00 C ATOM 721 CE1 HIS A 49 1.247 -10.647 -5.097 1.00 0.00 C ATOM 722 NE2 HIS A 49 1.360 -9.522 -4.334 1.00 0.00 N ATOM 0 H HIS A 49 -1.944 -6.743 -5.639 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.083 -9.140 -7.396 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.633 -8.944 -4.438 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.663 -10.389 -5.429 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.039 -8.000 -3.758 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.040 -11.346 -5.319 1.00 0.00 H new ATOM 0 HE2 HIS A 49 2.212 -9.199 -3.875 1.00 0.00 H new ATOM 730 N LYS A 50 -4.492 -9.006 -7.738 1.00 0.00 N ATOM 731 CA LYS A 50 -5.900 -8.856 -8.061 1.00 0.00 C ATOM 732 C LYS A 50 -6.700 -8.686 -6.768 1.00 0.00 C ATOM 733 O LYS A 50 -7.031 -9.667 -6.104 1.00 0.00 O ATOM 734 CB LYS A 50 -6.378 -10.020 -8.931 1.00 0.00 C ATOM 735 CG LYS A 50 -6.517 -9.591 -10.393 1.00 0.00 C ATOM 736 CD LYS A 50 -7.990 -9.449 -10.785 1.00 0.00 C ATOM 737 CE LYS A 50 -8.320 -10.322 -11.997 1.00 0.00 C ATOM 738 NZ LYS A 50 -8.131 -11.754 -11.672 1.00 0.00 N ATOM 0 H LYS A 50 -3.993 -9.685 -8.313 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.060 -7.957 -8.656 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.673 -10.848 -8.857 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.337 -10.384 -8.562 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.003 -8.643 -10.548 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.034 -10.325 -11.039 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.623 -9.733 -9.944 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.211 -8.406 -11.012 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.350 -10.147 -12.309 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.681 -10.046 -12.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.741 -12.332 -12.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.137 -12.017 -11.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.383 -11.920 -10.677 1.00 0.00 H new ATOM 752 N GLY A 51 -6.988 -7.432 -6.448 1.00 0.00 N ATOM 753 CA GLY A 51 -7.743 -7.121 -5.246 1.00 0.00 C ATOM 754 C GLY A 51 -7.048 -6.030 -4.429 1.00 0.00 C ATOM 755 O GLY A 51 -7.697 -5.107 -3.940 1.00 0.00 O ATOM 0 H GLY A 51 -6.712 -6.620 -7.000 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.747 -6.794 -5.517 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.854 -8.020 -4.639 1.00 0.00 H new ATOM 759 N PHE A 52 -5.736 -6.173 -4.306 1.00 0.00 N ATOM 760 CA PHE A 52 -4.946 -5.211 -3.557 1.00 0.00 C ATOM 761 C PHE A 52 -3.485 -5.230 -4.010 1.00 0.00 C ATOM 762 O PHE A 52 -3.083 -6.096 -4.786 1.00 0.00 O ATOM 763 CB PHE A 52 -5.016 -5.625 -2.085 1.00 0.00 C ATOM 764 CG PHE A 52 -4.453 -7.019 -1.803 1.00 0.00 C ATOM 765 CD1 PHE A 52 -5.222 -8.120 -2.021 1.00 0.00 C ATOM 766 CD2 PHE A 52 -3.184 -7.159 -1.335 1.00 0.00 C ATOM 767 CE1 PHE A 52 -4.700 -9.414 -1.759 1.00 0.00 C ATOM 768 CE2 PHE A 52 -2.662 -8.453 -1.073 1.00 0.00 C ATOM 769 CZ PHE A 52 -3.431 -9.553 -1.291 1.00 0.00 C ATOM 0 H PHE A 52 -5.201 -6.940 -4.712 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.335 -4.205 -3.717 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.469 -4.896 -1.487 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.055 -5.591 -1.758 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.230 -8.010 -2.393 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.573 -6.285 -1.163 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.311 -10.288 -1.931 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.654 -8.564 -0.701 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.034 -10.537 -1.092 1.00 0.00 H new ATOM 779 N ALA A 53 -2.730 -4.264 -3.507 1.00 0.00 N ATOM 780 CA ALA A 53 -1.322 -4.159 -3.851 1.00 0.00 C ATOM 781 C ALA A 53 -0.527 -3.754 -2.608 1.00 0.00 C ATOM 782 O ALA A 53 -1.107 -3.377 -1.591 1.00 0.00 O ATOM 783 CB ALA A 53 -1.150 -3.166 -5.002 1.00 0.00 C ATOM 0 H ALA A 53 -3.067 -3.547 -2.864 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.937 -5.121 -4.190 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.094 -3.087 -5.260 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.710 -3.514 -5.870 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.523 -2.188 -4.698 1.00 0.00 H new ATOM 789 N PHE A 54 0.789 -3.847 -2.731 1.00 0.00 N ATOM 790 CA PHE A 54 1.670 -3.495 -1.630 1.00 0.00 C ATOM 791 C PHE A 54 2.865 -2.677 -2.124 1.00 0.00 C ATOM 792 O PHE A 54 3.518 -3.051 -3.097 1.00 0.00 O ATOM 793 CB PHE A 54 2.179 -4.806 -1.027 1.00 0.00 C ATOM 794 CG PHE A 54 1.316 -5.341 0.118 1.00 0.00 C ATOM 795 CD1 PHE A 54 0.194 -6.060 -0.155 1.00 0.00 C ATOM 796 CD2 PHE A 54 1.671 -5.097 1.408 1.00 0.00 C ATOM 797 CE1 PHE A 54 -0.607 -6.556 0.908 1.00 0.00 C ATOM 798 CE2 PHE A 54 0.870 -5.594 2.470 1.00 0.00 C ATOM 799 CZ PHE A 54 -0.252 -6.312 2.198 1.00 0.00 C ATOM 0 H PHE A 54 1.266 -4.161 -3.576 1.00 0.00 H new ATOM 0 HA PHE A 54 1.129 -2.894 -0.899 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.230 -5.560 -1.813 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.195 -4.656 -0.663 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.088 -6.254 -1.179 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.562 -4.526 1.625 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.498 -7.127 0.692 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.152 -5.401 3.495 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.861 -6.689 3.006 1.00 0.00 H new ATOM 809 N VAL A 55 3.115 -1.577 -1.429 1.00 0.00 N ATOM 810 CA VAL A 55 4.221 -0.703 -1.785 1.00 0.00 C ATOM 811 C VAL A 55 5.253 -0.708 -0.656 1.00 0.00 C ATOM 812 O VAL A 55 4.893 -0.677 0.520 1.00 0.00 O ATOM 813 CB VAL A 55 3.697 0.697 -2.110 1.00 0.00 C ATOM 814 CG1 VAL A 55 4.840 1.713 -2.159 1.00 0.00 C ATOM 815 CG2 VAL A 55 2.906 0.697 -3.420 1.00 0.00 C ATOM 0 H VAL A 55 2.572 -1.271 -0.622 1.00 0.00 H new ATOM 0 HA VAL A 55 4.721 -1.065 -2.683 1.00 0.00 H new ATOM 0 HB VAL A 55 3.019 0.994 -1.310 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.440 2.700 -2.392 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.341 1.744 -1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.554 1.420 -2.929 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.545 1.704 -3.627 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.551 0.368 -4.235 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.057 0.018 -3.333 1.00 0.00 H new ATOM 825 N GLN A 56 6.516 -0.748 -1.053 1.00 0.00 N ATOM 826 CA GLN A 56 7.604 -0.757 -0.089 1.00 0.00 C ATOM 827 C GLN A 56 8.563 0.404 -0.359 1.00 0.00 C ATOM 828 O GLN A 56 9.302 0.387 -1.341 1.00 0.00 O ATOM 829 CB GLN A 56 8.344 -2.096 -0.110 1.00 0.00 C ATOM 830 CG GLN A 56 9.476 -2.113 0.918 1.00 0.00 C ATOM 831 CD GLN A 56 9.131 -3.022 2.099 1.00 0.00 C ATOM 832 OE1 GLN A 56 8.287 -3.899 2.015 1.00 0.00 O ATOM 833 NE2 GLN A 56 9.828 -2.764 3.202 1.00 0.00 N ATOM 0 H GLN A 56 6.811 -0.775 -2.029 1.00 0.00 H new ATOM 0 HA GLN A 56 7.181 -0.628 0.907 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.645 -2.905 0.100 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.749 -2.276 -1.106 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.396 -2.458 0.446 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.662 -1.100 1.276 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.520 -2.015 3.204 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.670 -3.315 4.046 1.00 0.00 H new ATOM 842 N TYR A 57 8.519 1.385 0.531 1.00 0.00 N ATOM 843 CA TYR A 57 9.375 2.551 0.401 1.00 0.00 C ATOM 844 C TYR A 57 10.736 2.309 1.057 1.00 0.00 C ATOM 845 O TYR A 57 10.925 1.312 1.752 1.00 0.00 O ATOM 846 CB TYR A 57 8.660 3.684 1.141 1.00 0.00 C ATOM 847 CG TYR A 57 7.395 4.184 0.441 1.00 0.00 C ATOM 848 CD1 TYR A 57 6.234 3.440 0.500 1.00 0.00 C ATOM 849 CD2 TYR A 57 7.416 5.378 -0.250 1.00 0.00 C ATOM 850 CE1 TYR A 57 5.044 3.911 -0.159 1.00 0.00 C ATOM 851 CE2 TYR A 57 6.225 5.849 -0.909 1.00 0.00 C ATOM 852 CZ TYR A 57 5.098 5.093 -0.832 1.00 0.00 C ATOM 853 OH TYR A 57 3.974 5.537 -1.454 1.00 0.00 O ATOM 0 H TYR A 57 7.904 1.396 1.345 1.00 0.00 H new ATOM 0 HA TYR A 57 9.550 2.783 -0.650 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.398 3.342 2.142 1.00 0.00 H new ATOM 0 HB3 TYR A 57 9.351 4.519 1.261 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.218 2.505 1.040 1.00 0.00 H new ATOM 0 HD2 TYR A 57 8.325 5.959 -0.297 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.129 3.339 -0.120 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.227 6.782 -1.452 1.00 0.00 H new ATOM 0 HH TYR A 57 4.208 6.251 -2.082 1.00 0.00 H new ATOM 863 N VAL A 58 11.649 3.238 0.813 1.00 0.00 N ATOM 864 CA VAL A 58 12.986 3.138 1.371 1.00 0.00 C ATOM 865 C VAL A 58 12.920 3.351 2.884 1.00 0.00 C ATOM 866 O VAL A 58 13.660 2.718 3.637 1.00 0.00 O ATOM 867 CB VAL A 58 13.922 4.124 0.669 1.00 0.00 C ATOM 868 CG1 VAL A 58 15.031 4.594 1.612 1.00 0.00 C ATOM 869 CG2 VAL A 58 14.508 3.512 -0.605 1.00 0.00 C ATOM 0 H VAL A 58 11.488 4.064 0.236 1.00 0.00 H new ATOM 0 HA VAL A 58 13.397 2.143 1.200 1.00 0.00 H new ATOM 0 HB VAL A 58 13.335 4.996 0.382 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.682 5.294 1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 58 14.588 5.088 2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 58 15.614 3.735 1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 58 15.169 4.234 -1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 58 15.073 2.615 -0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.700 3.251 -1.288 1.00 0.00 H new ATOM 879 N ASN A 59 12.027 4.243 3.286 1.00 0.00 N ATOM 880 CA ASN A 59 11.855 4.547 4.696 1.00 0.00 C ATOM 881 C ASN A 59 10.383 4.370 5.075 1.00 0.00 C ATOM 882 O ASN A 59 9.543 4.114 4.214 1.00 0.00 O ATOM 883 CB ASN A 59 12.250 5.994 5.000 1.00 0.00 C ATOM 884 CG ASN A 59 13.029 6.085 6.314 1.00 0.00 C ATOM 885 OD1 ASN A 59 12.540 6.568 7.322 1.00 0.00 O ATOM 886 ND2 ASN A 59 14.263 5.595 6.247 1.00 0.00 N ATOM 0 H ASN A 59 11.415 4.765 2.659 1.00 0.00 H new ATOM 0 HA ASN A 59 12.492 3.872 5.267 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.857 6.388 4.185 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.356 6.614 5.060 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.863 5.609 7.072 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.610 5.205 5.371 1.00 0.00 H new ATOM 893 N GLU A 60 10.117 4.513 6.365 1.00 0.00 N ATOM 894 CA GLU A 60 8.761 4.371 6.869 1.00 0.00 C ATOM 895 C GLU A 60 8.008 5.698 6.747 1.00 0.00 C ATOM 896 O GLU A 60 6.837 5.719 6.373 1.00 0.00 O ATOM 897 CB GLU A 60 8.763 3.873 8.316 1.00 0.00 C ATOM 898 CG GLU A 60 7.356 3.468 8.758 1.00 0.00 C ATOM 899 CD GLU A 60 7.357 2.971 10.205 1.00 0.00 C ATOM 900 OE1 GLU A 60 7.773 3.765 11.077 1.00 0.00 O ATOM 901 OE2 GLU A 60 6.943 1.809 10.407 1.00 0.00 O ATOM 0 H GLU A 60 10.817 4.726 7.076 1.00 0.00 H new ATOM 0 HA GLU A 60 8.245 3.626 6.264 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.437 3.022 8.410 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.143 4.655 8.973 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.682 4.319 8.663 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.976 2.685 8.101 1.00 0.00 H new ATOM 908 N ARG A 61 8.712 6.773 7.070 1.00 0.00 N ATOM 909 CA ARG A 61 8.125 8.100 7.001 1.00 0.00 C ATOM 910 C ARG A 61 7.574 8.365 5.599 1.00 0.00 C ATOM 911 O ARG A 61 6.606 9.106 5.438 1.00 0.00 O ATOM 912 CB ARG A 61 9.156 9.177 7.348 1.00 0.00 C ATOM 913 CG ARG A 61 9.418 9.219 8.855 1.00 0.00 C ATOM 914 CD ARG A 61 9.832 10.623 9.300 1.00 0.00 C ATOM 915 NE ARG A 61 10.664 10.543 10.521 1.00 0.00 N ATOM 916 CZ ARG A 61 11.960 10.200 10.526 1.00 0.00 C ATOM 917 NH1 ARG A 61 12.578 9.904 9.374 1.00 0.00 N ATOM 918 NH2 ARG A 61 12.636 10.153 11.681 1.00 0.00 N ATOM 0 H ARG A 61 9.683 6.752 7.380 1.00 0.00 H new ATOM 0 HA ARG A 61 7.314 8.141 7.728 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.088 8.978 6.819 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.799 10.150 7.010 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.520 8.913 9.393 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.202 8.506 9.112 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.388 11.117 8.503 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.946 11.228 9.493 1.00 0.00 H new ATOM 0 HE ARG A 61 10.224 10.763 11.415 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.062 9.940 8.495 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.564 9.643 9.377 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.165 10.378 12.557 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.622 9.892 11.685 1.00 0.00 H new ATOM 932 N ASN A 62 8.215 7.745 4.619 1.00 0.00 N ATOM 933 CA ASN A 62 7.801 7.904 3.235 1.00 0.00 C ATOM 934 C ASN A 62 6.559 7.048 2.977 1.00 0.00 C ATOM 935 O ASN A 62 5.671 7.448 2.227 1.00 0.00 O ATOM 936 CB ASN A 62 8.900 7.444 2.275 1.00 0.00 C ATOM 937 CG ASN A 62 10.007 8.494 2.165 1.00 0.00 C ATOM 938 OD1 ASN A 62 9.790 9.683 2.332 1.00 0.00 O ATOM 939 ND2 ASN A 62 11.204 7.990 1.876 1.00 0.00 N ATOM 0 H ASN A 62 9.018 7.131 4.756 1.00 0.00 H new ATOM 0 HA ASN A 62 7.592 8.960 3.065 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.321 6.501 2.624 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.472 7.257 1.290 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.009 8.609 1.782 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.317 6.984 1.749 1.00 0.00 H new ATOM 946 N ALA A 63 6.538 5.887 3.614 1.00 0.00 N ATOM 947 CA ALA A 63 5.419 4.971 3.463 1.00 0.00 C ATOM 948 C ALA A 63 4.146 5.637 3.989 1.00 0.00 C ATOM 949 O ALA A 63 3.204 5.869 3.232 1.00 0.00 O ATOM 950 CB ALA A 63 5.732 3.659 4.185 1.00 0.00 C ATOM 0 H ALA A 63 7.277 5.559 4.236 1.00 0.00 H new ATOM 0 HA ALA A 63 5.256 4.734 2.412 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.893 2.972 4.072 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.628 3.212 3.755 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.898 3.857 5.244 1.00 0.00 H new ATOM 956 N ARG A 64 4.158 5.926 5.281 1.00 0.00 N ATOM 957 CA ARG A 64 3.016 6.561 5.917 1.00 0.00 C ATOM 958 C ARG A 64 2.541 7.754 5.086 1.00 0.00 C ATOM 959 O ARG A 64 1.343 7.923 4.865 1.00 0.00 O ATOM 960 CB ARG A 64 3.367 7.039 7.328 1.00 0.00 C ATOM 961 CG ARG A 64 2.288 7.977 7.873 1.00 0.00 C ATOM 962 CD ARG A 64 2.629 8.440 9.290 1.00 0.00 C ATOM 963 NE ARG A 64 2.056 7.502 10.281 1.00 0.00 N ATOM 964 CZ ARG A 64 1.872 7.797 11.575 1.00 0.00 C ATOM 965 NH1 ARG A 64 2.214 9.005 12.043 1.00 0.00 N ATOM 966 NH2 ARG A 64 1.345 6.883 12.402 1.00 0.00 N ATOM 0 H ARG A 64 4.941 5.732 5.906 1.00 0.00 H new ATOM 0 HA ARG A 64 2.219 5.820 5.984 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.476 6.180 7.990 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.328 7.554 7.313 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.189 8.842 7.218 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.325 7.467 7.875 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.711 8.496 9.413 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.237 9.443 9.458 1.00 0.00 H new ATOM 0 HE ARG A 64 1.784 6.573 9.959 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.615 9.701 11.414 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.074 9.229 13.028 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.084 5.963 12.046 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.205 7.107 13.387 1.00 0.00 H new ATOM 980 N ALA A 65 3.505 8.550 4.647 1.00 0.00 N ATOM 981 CA ALA A 65 3.199 9.722 3.844 1.00 0.00 C ATOM 982 C ALA A 65 2.096 9.376 2.842 1.00 0.00 C ATOM 983 O ALA A 65 1.008 9.948 2.889 1.00 0.00 O ATOM 984 CB ALA A 65 4.474 10.218 3.159 1.00 0.00 C ATOM 0 H ALA A 65 4.498 8.407 4.832 1.00 0.00 H new ATOM 0 HA ALA A 65 2.830 10.532 4.473 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.245 11.097 2.557 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.215 10.479 3.915 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.872 9.432 2.517 1.00 0.00 H new ATOM 990 N ALA A 66 2.415 8.441 1.960 1.00 0.00 N ATOM 991 CA ALA A 66 1.464 8.011 0.948 1.00 0.00 C ATOM 992 C ALA A 66 0.180 7.535 1.631 1.00 0.00 C ATOM 993 O ALA A 66 -0.911 7.995 1.299 1.00 0.00 O ATOM 994 CB ALA A 66 2.100 6.925 0.078 1.00 0.00 C ATOM 0 H ALA A 66 3.318 7.969 1.925 1.00 0.00 H new ATOM 0 HA ALA A 66 1.200 8.840 0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.387 6.603 -0.681 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.991 7.323 -0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.376 6.074 0.701 1.00 0.00 H new ATOM 1000 N VAL A 67 0.353 6.618 2.572 1.00 0.00 N ATOM 1001 CA VAL A 67 -0.778 6.074 3.303 1.00 0.00 C ATOM 1002 C VAL A 67 -1.662 7.222 3.794 1.00 0.00 C ATOM 1003 O VAL A 67 -2.855 7.035 4.028 1.00 0.00 O ATOM 1004 CB VAL A 67 -0.283 5.174 4.437 1.00 0.00 C ATOM 1005 CG1 VAL A 67 -1.385 4.942 5.473 1.00 0.00 C ATOM 1006 CG2 VAL A 67 0.245 3.846 3.892 1.00 0.00 C ATOM 0 H VAL A 67 1.260 6.238 2.845 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.389 5.449 2.652 1.00 0.00 H new ATOM 0 HB VAL A 67 0.542 5.684 4.934 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.007 4.299 6.268 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.694 5.898 5.895 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.239 4.463 4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.591 3.225 4.719 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.552 3.329 3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.074 4.036 3.210 1.00 0.00 H new ATOM 1016 N ALA A 68 -1.043 8.385 3.935 1.00 0.00 N ATOM 1017 CA ALA A 68 -1.759 9.564 4.393 1.00 0.00 C ATOM 1018 C ALA A 68 -2.238 10.367 3.183 1.00 0.00 C ATOM 1019 O ALA A 68 -3.277 11.022 3.241 1.00 0.00 O ATOM 1020 CB ALA A 68 -0.855 10.383 5.316 1.00 0.00 C ATOM 0 H ALA A 68 -0.053 8.536 3.740 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.640 9.279 4.968 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.392 11.267 5.660 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.567 9.777 6.175 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.039 10.689 4.772 1.00 0.00 H new ATOM 1026 N GLY A 69 -1.458 10.289 2.115 1.00 0.00 N ATOM 1027 CA GLY A 69 -1.790 11.001 0.892 1.00 0.00 C ATOM 1028 C GLY A 69 -2.560 10.099 -0.075 1.00 0.00 C ATOM 1029 O GLY A 69 -3.769 10.252 -0.243 1.00 0.00 O ATOM 0 H GLY A 69 -0.597 9.744 2.071 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.389 11.880 1.130 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.877 11.357 0.415 1.00 0.00 H new ATOM 1033 N GLU A 70 -1.828 9.180 -0.686 1.00 0.00 N ATOM 1034 CA GLU A 70 -2.427 8.254 -1.632 1.00 0.00 C ATOM 1035 C GLU A 70 -3.828 7.852 -1.167 1.00 0.00 C ATOM 1036 O GLU A 70 -4.822 8.222 -1.790 1.00 0.00 O ATOM 1037 CB GLU A 70 -1.540 7.022 -1.830 1.00 0.00 C ATOM 1038 CG GLU A 70 -1.038 6.934 -3.273 1.00 0.00 C ATOM 1039 CD GLU A 70 -2.142 6.436 -4.208 1.00 0.00 C ATOM 1040 OE1 GLU A 70 -2.695 5.355 -3.910 1.00 0.00 O ATOM 1041 OE2 GLU A 70 -2.409 7.149 -5.200 1.00 0.00 O ATOM 0 H GLU A 70 -0.825 9.056 -0.545 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.516 8.756 -2.595 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.691 7.067 -1.148 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.101 6.121 -1.581 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.692 7.914 -3.602 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.182 6.261 -3.324 1.00 0.00 H new ATOM 1048 N ASP A 71 -3.862 7.099 -0.077 1.00 0.00 N ATOM 1049 CA ASP A 71 -5.125 6.643 0.478 1.00 0.00 C ATOM 1050 C ASP A 71 -6.163 7.760 0.358 1.00 0.00 C ATOM 1051 O ASP A 71 -5.991 8.836 0.928 1.00 0.00 O ATOM 1052 CB ASP A 71 -4.979 6.290 1.960 1.00 0.00 C ATOM 1053 CG ASP A 71 -6.296 6.180 2.730 1.00 0.00 C ATOM 1054 OD1 ASP A 71 -7.116 5.324 2.334 1.00 0.00 O ATOM 1055 OD2 ASP A 71 -6.453 6.954 3.699 1.00 0.00 O ATOM 0 H ASP A 71 -3.035 6.793 0.436 1.00 0.00 H new ATOM 0 HA ASP A 71 -5.437 5.757 -0.075 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.447 5.342 2.042 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.357 7.047 2.439 1.00 0.00 H new ATOM 1060 N GLY A 72 -7.218 7.466 -0.388 1.00 0.00 N ATOM 1061 CA GLY A 72 -8.284 8.433 -0.590 1.00 0.00 C ATOM 1062 C GLY A 72 -8.189 9.071 -1.978 1.00 0.00 C ATOM 1063 O GLY A 72 -8.648 10.194 -2.181 1.00 0.00 O ATOM 0 H GLY A 72 -7.357 6.572 -0.860 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.251 7.943 -0.476 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.227 9.207 0.175 1.00 0.00 H new ATOM 1067 N ARG A 73 -7.591 8.327 -2.897 1.00 0.00 N ATOM 1068 CA ARG A 73 -7.430 8.806 -4.259 1.00 0.00 C ATOM 1069 C ARG A 73 -8.393 8.075 -5.196 1.00 0.00 C ATOM 1070 O ARG A 73 -8.550 6.858 -5.104 1.00 0.00 O ATOM 1071 CB ARG A 73 -5.996 8.600 -4.750 1.00 0.00 C ATOM 1072 CG ARG A 73 -5.507 9.814 -5.542 1.00 0.00 C ATOM 1073 CD ARG A 73 -4.250 9.475 -6.345 1.00 0.00 C ATOM 1074 NE ARG A 73 -3.662 10.710 -6.910 1.00 0.00 N ATOM 1075 CZ ARG A 73 -4.113 11.319 -8.016 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -5.158 10.810 -8.682 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -3.517 12.436 -8.456 1.00 0.00 N ATOM 0 H ARG A 73 -7.212 7.396 -2.725 1.00 0.00 H new ATOM 0 HA ARG A 73 -7.653 9.873 -4.264 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.338 8.428 -3.898 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.947 7.709 -5.376 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.293 10.153 -6.217 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.296 10.637 -4.859 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.523 8.976 -5.704 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.497 8.780 -7.147 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.864 11.124 -6.428 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.610 9.959 -8.348 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.501 11.273 -9.523 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.721 12.823 -7.949 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.860 12.899 -9.297 1.00 0.00 H new ATOM 1091 N MET A 74 -9.013 8.847 -6.076 1.00 0.00 N ATOM 1092 CA MET A 74 -9.956 8.287 -7.029 1.00 0.00 C ATOM 1093 C MET A 74 -9.242 7.828 -8.302 1.00 0.00 C ATOM 1094 O MET A 74 -9.121 8.590 -9.260 1.00 0.00 O ATOM 1095 CB MET A 74 -11.008 9.340 -7.385 1.00 0.00 C ATOM 1096 CG MET A 74 -12.422 8.782 -7.215 1.00 0.00 C ATOM 1097 SD MET A 74 -13.626 10.054 -7.557 1.00 0.00 S ATOM 1098 CE MET A 74 -15.128 9.176 -7.156 1.00 0.00 C ATOM 0 H MET A 74 -8.881 9.856 -6.149 1.00 0.00 H new ATOM 0 HA MET A 74 -10.435 7.421 -6.572 1.00 0.00 H new ATOM 0 HB2 MET A 74 -10.880 10.216 -6.749 1.00 0.00 H new ATOM 0 HB3 MET A 74 -10.864 9.669 -8.414 1.00 0.00 H new ATOM 0 HG2 MET A 74 -12.572 7.938 -7.888 1.00 0.00 H new ATOM 0 HG3 MET A 74 -12.555 8.408 -6.200 1.00 0.00 H new ATOM 0 HE1 MET A 74 -15.924 9.892 -6.951 1.00 0.00 H new ATOM 0 HE2 MET A 74 -15.416 8.544 -7.996 1.00 0.00 H new ATOM 0 HE3 MET A 74 -14.962 8.555 -6.276 1.00 0.00 H new ATOM 1108 N ILE A 75 -8.788 6.583 -8.271 1.00 0.00 N ATOM 1109 CA ILE A 75 -8.089 6.013 -9.411 1.00 0.00 C ATOM 1110 C ILE A 75 -9.075 5.201 -10.253 1.00 0.00 C ATOM 1111 O ILE A 75 -9.670 4.241 -9.765 1.00 0.00 O ATOM 1112 CB ILE A 75 -6.871 5.213 -8.946 1.00 0.00 C ATOM 1113 CG1 ILE A 75 -5.731 5.310 -9.962 1.00 0.00 C ATOM 1114 CG2 ILE A 75 -7.250 3.761 -8.648 1.00 0.00 C ATOM 1115 CD1 ILE A 75 -4.693 6.345 -9.524 1.00 0.00 C ATOM 0 H ILE A 75 -8.891 5.954 -7.475 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.697 6.802 -10.052 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.511 5.650 -8.015 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.254 4.336 -10.073 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.132 5.582 -10.939 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -6.366 3.214 -8.319 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -8.005 3.736 -7.862 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.649 3.297 -9.550 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.894 6.394 -10.263 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.168 7.322 -9.437 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.277 6.057 -8.559 1.00 0.00 H new ATOM 1127 N ALA A 76 -9.216 5.614 -11.504 1.00 0.00 N ATOM 1128 CA ALA A 76 -10.119 4.937 -12.419 1.00 0.00 C ATOM 1129 C ALA A 76 -11.563 5.303 -12.068 1.00 0.00 C ATOM 1130 O ALA A 76 -12.502 4.789 -12.674 1.00 0.00 O ATOM 1131 CB ALA A 76 -9.869 3.428 -12.359 1.00 0.00 C ATOM 0 H ALA A 76 -8.720 6.409 -11.906 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.938 5.258 -13.445 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -10.546 2.919 -13.045 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.838 3.218 -12.644 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.044 3.070 -11.344 1.00 0.00 H new ATOM 1137 N GLY A 77 -11.694 6.189 -11.093 1.00 0.00 N ATOM 1138 CA GLY A 77 -13.008 6.631 -10.655 1.00 0.00 C ATOM 1139 C GLY A 77 -13.383 5.992 -9.316 1.00 0.00 C ATOM 1140 O GLY A 77 -14.438 6.287 -8.757 1.00 0.00 O ATOM 0 H GLY A 77 -10.913 6.613 -10.593 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.017 7.717 -10.559 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.753 6.371 -11.407 1.00 0.00 H new ATOM 1144 N GLN A 78 -12.498 5.128 -8.841 1.00 0.00 N ATOM 1145 CA GLN A 78 -12.722 4.445 -7.578 1.00 0.00 C ATOM 1146 C GLN A 78 -11.664 4.859 -6.554 1.00 0.00 C ATOM 1147 O GLN A 78 -10.514 5.109 -6.911 1.00 0.00 O ATOM 1148 CB GLN A 78 -12.734 2.927 -7.771 1.00 0.00 C ATOM 1149 CG GLN A 78 -13.904 2.495 -8.657 1.00 0.00 C ATOM 1150 CD GLN A 78 -13.444 1.508 -9.731 1.00 0.00 C ATOM 1151 OE1 GLN A 78 -13.985 0.425 -9.888 1.00 0.00 O ATOM 1152 NE2 GLN A 78 -12.418 1.939 -10.458 1.00 0.00 N ATOM 0 H GLN A 78 -11.624 4.885 -9.308 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.700 4.738 -7.198 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.795 2.607 -8.222 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.806 2.434 -6.801 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.679 2.035 -8.043 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -14.349 3.370 -9.130 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -12.012 2.857 -10.274 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -12.037 1.352 -11.200 1.00 0.00 H new ATOM 1161 N VAL A 79 -12.090 4.920 -5.301 1.00 0.00 N ATOM 1162 CA VAL A 79 -11.194 5.300 -4.223 1.00 0.00 C ATOM 1163 C VAL A 79 -10.329 4.099 -3.837 1.00 0.00 C ATOM 1164 O VAL A 79 -10.802 2.964 -3.835 1.00 0.00 O ATOM 1165 CB VAL A 79 -11.997 5.861 -3.048 1.00 0.00 C ATOM 1166 CG1 VAL A 79 -11.079 6.215 -1.876 1.00 0.00 C ATOM 1167 CG2 VAL A 79 -12.827 7.071 -3.479 1.00 0.00 C ATOM 0 H VAL A 79 -13.045 4.712 -5.008 1.00 0.00 H new ATOM 0 HA VAL A 79 -10.521 6.094 -4.548 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.685 5.085 -2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -11.675 6.612 -1.054 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.552 5.321 -1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.355 6.965 -2.194 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -13.388 7.450 -2.625 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -12.165 7.852 -3.854 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -13.521 6.775 -4.266 1.00 0.00 H new ATOM 1177 N LEU A 80 -9.075 4.390 -3.521 1.00 0.00 N ATOM 1178 CA LEU A 80 -8.140 3.347 -3.134 1.00 0.00 C ATOM 1179 C LEU A 80 -8.010 3.324 -1.610 1.00 0.00 C ATOM 1180 O LEU A 80 -7.690 4.341 -0.996 1.00 0.00 O ATOM 1181 CB LEU A 80 -6.806 3.527 -3.863 1.00 0.00 C ATOM 1182 CG LEU A 80 -6.879 3.583 -5.390 1.00 0.00 C ATOM 1183 CD1 LEU A 80 -5.493 3.811 -5.997 1.00 0.00 C ATOM 1184 CD2 LEU A 80 -7.552 2.330 -5.954 1.00 0.00 C ATOM 0 H LEU A 80 -8.685 5.333 -3.525 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.513 2.369 -3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.341 4.447 -3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.146 2.707 -3.580 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.498 4.435 -5.671 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.573 3.847 -7.083 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.087 4.754 -5.632 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.831 2.995 -5.709 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.591 2.396 -7.041 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.981 1.448 -5.664 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.565 2.252 -5.559 1.00 0.00 H new ATOM 1196 N ASP A 81 -8.264 2.154 -1.044 1.00 0.00 N ATOM 1197 CA ASP A 81 -8.179 1.985 0.397 1.00 0.00 C ATOM 1198 C ASP A 81 -6.792 1.451 0.763 1.00 0.00 C ATOM 1199 O ASP A 81 -6.527 0.258 0.628 1.00 0.00 O ATOM 1200 CB ASP A 81 -9.219 0.980 0.896 1.00 0.00 C ATOM 1201 CG ASP A 81 -10.164 1.511 1.976 1.00 0.00 C ATOM 1202 OD1 ASP A 81 -10.999 2.373 1.625 1.00 0.00 O ATOM 1203 OD2 ASP A 81 -10.031 1.042 3.127 1.00 0.00 O ATOM 0 H ASP A 81 -8.529 1.313 -1.557 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.362 2.954 0.861 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -9.814 0.644 0.047 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.699 0.106 1.287 1.00 0.00 H new ATOM 1208 N ILE A 82 -5.944 2.361 1.219 1.00 0.00 N ATOM 1209 CA ILE A 82 -4.592 1.997 1.605 1.00 0.00 C ATOM 1210 C ILE A 82 -4.450 2.119 3.124 1.00 0.00 C ATOM 1211 O ILE A 82 -5.251 2.788 3.774 1.00 0.00 O ATOM 1212 CB ILE A 82 -3.570 2.825 0.824 1.00 0.00 C ATOM 1213 CG1 ILE A 82 -4.061 3.101 -0.599 1.00 0.00 C ATOM 1214 CG2 ILE A 82 -2.195 2.153 0.835 1.00 0.00 C ATOM 1215 CD1 ILE A 82 -3.013 3.878 -1.400 1.00 0.00 C ATOM 0 H ILE A 82 -6.167 3.350 1.330 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.389 0.958 1.347 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.461 3.789 1.321 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.282 2.159 -1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.991 3.669 -0.563 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.488 2.763 0.273 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.848 2.050 1.863 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.268 1.167 0.377 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.387 4.061 -2.407 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.812 4.830 -0.909 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.092 3.297 -1.455 1.00 0.00 H new ATOM 1227 N ASN A 83 -3.424 1.461 3.644 1.00 0.00 N ATOM 1228 CA ASN A 83 -3.167 1.487 5.074 1.00 0.00 C ATOM 1229 C ASN A 83 -1.744 0.990 5.341 1.00 0.00 C ATOM 1230 O ASN A 83 -1.145 0.328 4.495 1.00 0.00 O ATOM 1231 CB ASN A 83 -4.136 0.571 5.825 1.00 0.00 C ATOM 1232 CG ASN A 83 -3.671 0.343 7.265 1.00 0.00 C ATOM 1233 OD1 ASN A 83 -3.690 1.233 8.099 1.00 0.00 O ATOM 1234 ND2 ASN A 83 -3.252 -0.895 7.508 1.00 0.00 N ATOM 0 H ASN A 83 -2.761 0.907 3.101 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.297 2.512 5.421 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.132 1.013 5.827 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.212 -0.386 5.308 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.920 -1.148 8.439 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -3.263 -1.592 6.764 1.00 0.00 H new ATOM 1241 N LEU A 84 -1.245 1.329 6.520 1.00 0.00 N ATOM 1242 CA LEU A 84 0.096 0.925 6.909 1.00 0.00 C ATOM 1243 C LEU A 84 0.062 -0.517 7.419 1.00 0.00 C ATOM 1244 O LEU A 84 -0.807 -0.879 8.211 1.00 0.00 O ATOM 1245 CB LEU A 84 0.684 1.919 7.913 1.00 0.00 C ATOM 1246 CG LEU A 84 1.893 2.723 7.431 1.00 0.00 C ATOM 1247 CD1 LEU A 84 2.356 3.713 8.501 1.00 0.00 C ATOM 1248 CD2 LEU A 84 3.024 1.795 6.981 1.00 0.00 C ATOM 0 H LEU A 84 -1.745 1.879 7.219 1.00 0.00 H new ATOM 0 HA LEU A 84 0.764 0.943 6.048 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.100 2.618 8.203 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.971 1.371 8.811 1.00 0.00 H new ATOM 0 HG LEU A 84 1.590 3.307 6.562 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.217 4.271 8.132 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.546 4.405 8.731 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.636 3.169 9.403 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.871 2.392 6.643 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.333 1.166 7.816 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.674 1.165 6.163 1.00 0.00 H new ATOM 1260 N ALA A 85 1.018 -1.301 6.944 1.00 0.00 N ATOM 1261 CA ALA A 85 1.109 -2.696 7.342 1.00 0.00 C ATOM 1262 C ALA A 85 1.439 -2.776 8.834 1.00 0.00 C ATOM 1263 O ALA A 85 2.575 -3.060 9.207 1.00 0.00 O ATOM 1264 CB ALA A 85 2.150 -3.407 6.476 1.00 0.00 C ATOM 0 H ALA A 85 1.737 -0.997 6.287 1.00 0.00 H new ATOM 0 HA ALA A 85 0.156 -3.202 7.188 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.218 -4.453 6.774 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.854 -3.347 5.429 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.120 -2.928 6.607 1.00 0.00 H new ATOM 1270 N ALA A 86 0.424 -2.519 9.646 1.00 0.00 N ATOM 1271 CA ALA A 86 0.592 -2.558 11.089 1.00 0.00 C ATOM 1272 C ALA A 86 -0.782 -2.501 11.760 1.00 0.00 C ATOM 1273 O ALA A 86 -1.077 -3.300 12.648 1.00 0.00 O ATOM 1274 CB ALA A 86 1.503 -1.411 11.528 1.00 0.00 C ATOM 0 H ALA A 86 -0.517 -2.283 9.332 1.00 0.00 H new ATOM 0 HA ALA A 86 1.070 -3.489 11.395 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.629 -1.440 12.610 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.475 -1.514 11.047 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.055 -0.460 11.240 1.00 0.00 H new ATOM 1280 N GLU A 87 -1.586 -1.550 11.309 1.00 0.00 N ATOM 1281 CA GLU A 87 -2.922 -1.378 11.855 1.00 0.00 C ATOM 1282 C GLU A 87 -3.972 -1.580 10.761 1.00 0.00 C ATOM 1283 O GLU A 87 -4.212 -0.684 9.952 1.00 0.00 O ATOM 1284 CB GLU A 87 -3.073 -0.005 12.513 1.00 0.00 C ATOM 1285 CG GLU A 87 -2.938 -0.109 14.034 1.00 0.00 C ATOM 1286 CD GLU A 87 -3.620 1.072 14.727 1.00 0.00 C ATOM 1287 OE1 GLU A 87 -4.849 1.205 14.542 1.00 0.00 O ATOM 1288 OE2 GLU A 87 -2.897 1.816 15.425 1.00 0.00 O ATOM 0 H GLU A 87 -1.338 -0.890 10.572 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.078 -2.133 12.626 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.316 0.675 12.123 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.044 0.420 12.259 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.381 -1.043 14.379 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.883 -0.136 14.308 1.00 0.00 H new ATOM 1295 N PRO A 88 -4.586 -2.793 10.770 1.00 0.00 N ATOM 1296 CA PRO A 88 -5.605 -3.124 9.789 1.00 0.00 C ATOM 1297 C PRO A 88 -6.924 -2.416 10.107 1.00 0.00 C ATOM 1298 O PRO A 88 -7.860 -2.453 9.311 1.00 0.00 O ATOM 1299 CB PRO A 88 -5.719 -4.639 9.835 1.00 0.00 C ATOM 1300 CG PRO A 88 -5.102 -5.063 11.158 1.00 0.00 C ATOM 1301 CD PRO A 88 -4.328 -3.878 11.712 1.00 0.00 C ATOM 0 HA PRO A 88 -5.346 -2.787 8.785 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -6.760 -4.954 9.771 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.195 -5.096 8.995 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.877 -5.374 11.858 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -4.441 -5.918 11.014 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.665 -3.619 12.716 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.263 -4.098 11.780 1.00 0.00 H new ATOM 1309 N LYS A 89 -6.954 -1.786 11.272 1.00 0.00 N ATOM 1310 CA LYS A 89 -8.142 -1.070 11.705 1.00 0.00 C ATOM 1311 C LYS A 89 -9.384 -1.889 11.347 1.00 0.00 C ATOM 1312 O LYS A 89 -10.293 -1.387 10.687 1.00 0.00 O ATOM 1313 CB LYS A 89 -8.153 0.347 11.130 1.00 0.00 C ATOM 1314 CG LYS A 89 -8.962 1.294 12.019 1.00 0.00 C ATOM 1315 CD LYS A 89 -10.023 2.037 11.205 1.00 0.00 C ATOM 1316 CE LYS A 89 -11.101 2.626 12.117 1.00 0.00 C ATOM 1317 NZ LYS A 89 -12.211 1.664 12.296 1.00 0.00 N ATOM 0 H LYS A 89 -6.175 -1.756 11.929 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.140 -0.949 12.788 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.131 0.714 11.038 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.578 0.333 10.126 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.441 0.728 12.818 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.294 2.012 12.494 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.553 2.835 10.630 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.481 1.355 10.489 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.669 2.876 13.086 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.481 3.553 11.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -12.934 2.080 12.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.634 1.446 11.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.847 0.790 12.725 1.00 0.00 H new ATOM 1331 N VAL A 90 -9.383 -3.134 11.799 1.00 0.00 N ATOM 1332 CA VAL A 90 -10.499 -4.027 11.535 1.00 0.00 C ATOM 1333 C VAL A 90 -11.483 -3.966 12.704 1.00 0.00 C ATOM 1334 O VAL A 90 -11.090 -4.116 13.860 1.00 0.00 O ATOM 1335 CB VAL A 90 -9.984 -5.441 11.260 1.00 0.00 C ATOM 1336 CG1 VAL A 90 -9.419 -6.076 12.532 1.00 0.00 C ATOM 1337 CG2 VAL A 90 -11.082 -6.316 10.651 1.00 0.00 C ATOM 0 H VAL A 90 -8.627 -3.546 12.346 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.037 -3.712 10.641 1.00 0.00 H new ATOM 0 HB VAL A 90 -9.174 -5.367 10.534 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.060 -7.081 12.309 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.593 -5.470 12.905 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.201 -6.130 13.290 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.689 -7.316 10.465 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.922 -6.379 11.342 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -11.417 -5.878 9.711 1.00 0.00 H new ATOM 1347 N ASN A 91 -12.745 -3.745 12.364 1.00 0.00 N ATOM 1348 CA ASN A 91 -13.788 -3.663 13.371 1.00 0.00 C ATOM 1349 C ASN A 91 -15.127 -4.060 12.746 1.00 0.00 C ATOM 1350 O ASN A 91 -15.647 -3.355 11.883 1.00 0.00 O ATOM 1351 CB ASN A 91 -13.923 -2.237 13.909 1.00 0.00 C ATOM 1352 CG ASN A 91 -14.897 -2.185 15.088 1.00 0.00 C ATOM 1353 OD1 ASN A 91 -16.097 -2.352 14.942 1.00 0.00 O ATOM 1354 ND2 ASN A 91 -14.316 -1.945 16.260 1.00 0.00 N ATOM 0 H ASN A 91 -13.068 -3.620 11.405 1.00 0.00 H new ATOM 0 HA ASN A 91 -13.521 -4.334 14.188 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -12.946 -1.869 14.223 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -14.272 -1.577 13.115 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -14.881 -1.891 17.108 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -13.306 -1.815 16.311 1.00 0.00 H new ATOM 1361 N ARG A 92 -15.647 -5.189 13.206 1.00 0.00 N ATOM 1362 CA ARG A 92 -16.915 -5.688 12.703 1.00 0.00 C ATOM 1363 C ARG A 92 -17.737 -6.292 13.843 1.00 0.00 C ATOM 1364 O ARG A 92 -18.870 -5.877 14.084 1.00 0.00 O ATOM 1365 CB ARG A 92 -16.699 -6.749 11.622 1.00 0.00 C ATOM 1366 CG ARG A 92 -17.296 -6.300 10.287 1.00 0.00 C ATOM 1367 CD ARG A 92 -18.100 -7.429 9.638 1.00 0.00 C ATOM 1368 NE ARG A 92 -18.292 -7.150 8.197 1.00 0.00 N ATOM 1369 CZ ARG A 92 -19.233 -7.729 7.439 1.00 0.00 C ATOM 1370 NH1 ARG A 92 -20.073 -8.623 7.980 1.00 0.00 N ATOM 1371 NH2 ARG A 92 -19.334 -7.415 6.141 1.00 0.00 N ATOM 0 H ARG A 92 -15.213 -5.772 13.922 1.00 0.00 H new ATOM 0 HA ARG A 92 -17.454 -4.846 12.268 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -15.632 -6.939 11.502 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -17.157 -7.688 11.932 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -17.940 -5.435 10.445 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -16.498 -5.985 9.615 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -17.579 -8.378 9.767 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -19.068 -7.527 10.130 1.00 0.00 H new ATOM 0 HE ARG A 92 -17.669 -6.475 7.753 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -19.996 -8.862 8.969 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -20.789 -9.064 7.403 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -18.695 -6.735 5.730 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -20.050 -7.856 5.564 1.00 0.00 H new ATOM 1385 N SER A 93 -17.135 -7.263 14.515 1.00 0.00 N ATOM 1386 CA SER A 93 -17.798 -7.928 15.624 1.00 0.00 C ATOM 1387 C SER A 93 -17.422 -7.248 16.942 1.00 0.00 C ATOM 1388 O SER A 93 -16.242 -7.056 17.231 1.00 0.00 O ATOM 1389 CB SER A 93 -17.436 -9.414 15.671 1.00 0.00 C ATOM 1390 OG SER A 93 -18.445 -10.228 15.080 1.00 0.00 O ATOM 0 H SER A 93 -16.196 -7.605 14.313 1.00 0.00 H new ATOM 0 HA SER A 93 -18.875 -7.849 15.476 1.00 0.00 H new ATOM 0 HB2 SER A 93 -16.491 -9.574 15.152 1.00 0.00 H new ATOM 0 HB3 SER A 93 -17.286 -9.718 16.707 1.00 0.00 H new ATOM 0 HG SER A 93 -18.176 -11.169 15.128 1.00 0.00 H new ATOM 1396 N GLY A 94 -18.448 -6.903 17.707 1.00 0.00 N ATOM 1397 CA GLY A 94 -18.240 -6.249 18.987 1.00 0.00 C ATOM 1398 C GLY A 94 -19.503 -5.513 19.439 1.00 0.00 C ATOM 1399 O GLY A 94 -19.706 -4.351 19.091 1.00 0.00 O ATOM 0 H GLY A 94 -19.425 -7.064 17.464 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -17.959 -6.989 19.736 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -17.412 -5.544 18.909 1.00 0.00 H new ATOM 1403 N PRO A 95 -20.341 -6.239 20.226 1.00 0.00 N ATOM 1404 CA PRO A 95 -21.579 -5.668 20.729 1.00 0.00 C ATOM 1405 C PRO A 95 -21.306 -4.683 21.867 1.00 0.00 C ATOM 1406 O PRO A 95 -21.921 -3.620 21.935 1.00 0.00 O ATOM 1407 CB PRO A 95 -22.415 -6.861 21.162 1.00 0.00 C ATOM 1408 CG PRO A 95 -21.441 -8.017 21.320 1.00 0.00 C ATOM 1409 CD PRO A 95 -20.132 -7.618 20.658 1.00 0.00 C ATOM 0 HA PRO A 95 -22.107 -5.081 19.978 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -22.933 -6.656 22.099 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -23.179 -7.093 20.420 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -21.282 -8.241 22.375 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -21.842 -8.920 20.859 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -19.297 -7.693 21.355 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -19.901 -8.267 19.813 1.00 0.00 H new ATOM 1417 N SER A 96 -20.383 -5.072 22.735 1.00 0.00 N ATOM 1418 CA SER A 96 -20.021 -4.237 23.867 1.00 0.00 C ATOM 1419 C SER A 96 -18.805 -3.378 23.516 1.00 0.00 C ATOM 1420 O SER A 96 -18.037 -3.719 22.618 1.00 0.00 O ATOM 1421 CB SER A 96 -19.730 -5.086 25.107 1.00 0.00 C ATOM 1422 OG SER A 96 -18.589 -5.920 24.927 1.00 0.00 O ATOM 0 H SER A 96 -19.875 -5.955 22.677 1.00 0.00 H new ATOM 0 HA SER A 96 -20.865 -3.586 24.095 1.00 0.00 H new ATOM 0 HB2 SER A 96 -19.570 -4.432 25.964 1.00 0.00 H new ATOM 0 HB3 SER A 96 -20.598 -5.704 25.335 1.00 0.00 H new ATOM 0 HG SER A 96 -18.435 -6.444 25.741 1.00 0.00 H new ATOM 1428 N SER A 97 -18.667 -2.278 24.243 1.00 0.00 N ATOM 1429 CA SER A 97 -17.558 -1.367 24.019 1.00 0.00 C ATOM 1430 C SER A 97 -16.432 -1.660 25.013 1.00 0.00 C ATOM 1431 O SER A 97 -15.308 -1.960 24.612 1.00 0.00 O ATOM 1432 CB SER A 97 -18.008 0.090 24.142 1.00 0.00 C ATOM 1433 OG SER A 97 -16.973 1.001 23.783 1.00 0.00 O ATOM 0 H SER A 97 -19.305 -1.998 24.988 1.00 0.00 H new ATOM 0 HA SER A 97 -17.189 -1.520 23.005 1.00 0.00 H new ATOM 0 HB2 SER A 97 -18.875 0.257 23.503 1.00 0.00 H new ATOM 0 HB3 SER A 97 -18.324 0.286 25.166 1.00 0.00 H new ATOM 0 HG SER A 97 -17.301 1.920 23.873 1.00 0.00 H new ATOM 1439 N GLY A 98 -16.772 -1.564 26.289 1.00 0.00 N ATOM 1440 CA GLY A 98 -15.804 -1.815 27.343 1.00 0.00 C ATOM 1441 C GLY A 98 -16.429 -1.607 28.724 1.00 0.00 C ATOM 1442 O GLY A 98 -16.253 -2.431 29.620 1.00 0.00 O ATOM 0 H GLY A 98 -17.705 -1.316 26.618 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -15.428 -2.835 27.260 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -14.950 -1.149 27.223 1.00 0.00 H new TER 1446 GLY A 98