USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 715 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 Single : A 1 VAL N :NH3+ 164:sc= -0.054 (180deg=-0.405) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 79:sc= 0.683 USER MOD Single : A 13 ASN : amide:sc= -0.0714 K(o=-0.071,f=-0.99) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.0759 X(o=-0.076,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -178:sc= 0.104 (180deg=0.103) USER MOD Single : A 23 TYR OH : rot 169:sc= 0.891 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -179:sc= 0 (180deg=-0.000904) USER MOD Single : A 36 HIS : no HD1:sc= -0.282 X(o=-0.28,f=0) USER MOD Single : A 38 SER OG : rot 98:sc= 1.27 USER MOD Single : A 44 MET CE :methyl -154:sc= -3.75 (180deg=-5.29!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.00558 USER MOD Single : A 56 SER OG : rot 180:sc=0.000726 USER MOD Single : A 61 GLN : amide:sc= -2.89! C(o=-2.9!,f=-3.7!) USER MOD Single : A 65 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.34) USER MOD Single : A 70 THR OG1 : rot 37:sc= -2.18 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0.241 X(o=0.24,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 110:sc= 0.653 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 3.433 7.317 33.878 1.00 0.00 N ATOM 2 CA VAL A 1 3.796 7.985 32.597 1.00 0.00 C ATOM 3 C VAL A 1 3.440 9.466 32.657 1.00 0.00 C ATOM 4 O VAL A 1 2.340 9.864 32.274 1.00 0.00 O ATOM 5 CB VAL A 1 3.077 7.330 31.420 1.00 0.00 C ATOM 6 CG1 VAL A 1 1.567 7.344 31.639 1.00 0.00 C ATOM 7 CG2 VAL A 1 3.436 8.035 30.114 1.00 0.00 C ATOM 0 H1 VAL A 1 3.422 6.286 33.741 1.00 0.00 H new ATOM 0 H2 VAL A 1 4.133 7.562 34.608 1.00 0.00 H new ATOM 0 H3 VAL A 1 2.491 7.636 34.181 1.00 0.00 H new ATOM 0 HA VAL A 1 4.871 7.878 32.451 1.00 0.00 H new ATOM 0 HB VAL A 1 3.404 6.292 31.352 1.00 0.00 H new ATOM 0 HG11 VAL A 1 1.072 6.873 30.790 1.00 0.00 H new ATOM 0 HG12 VAL A 1 1.326 6.795 32.550 1.00 0.00 H new ATOM 0 HG13 VAL A 1 1.223 8.374 31.734 1.00 0.00 H new ATOM 0 HG21 VAL A 1 2.915 7.555 29.286 1.00 0.00 H new ATOM 0 HG22 VAL A 1 3.138 9.082 30.172 1.00 0.00 H new ATOM 0 HG23 VAL A 1 4.512 7.972 29.950 1.00 0.00 H new ATOM 19 N PRO A 2 4.372 10.305 33.142 1.00 0.00 N ATOM 20 CA PRO A 2 4.156 11.751 33.252 1.00 0.00 C ATOM 21 C PRO A 2 4.415 12.472 31.934 1.00 0.00 C ATOM 22 O PRO A 2 5.160 11.983 31.085 1.00 0.00 O ATOM 23 CB PRO A 2 5.157 12.187 34.312 1.00 0.00 C ATOM 24 CG PRO A 2 6.252 11.165 34.285 1.00 0.00 C ATOM 25 CD PRO A 2 5.708 9.918 33.621 1.00 0.00 C ATOM 0 HA PRO A 2 3.124 11.991 33.509 1.00 0.00 H new ATOM 0 HB2 PRO A 2 5.546 13.182 34.097 1.00 0.00 H new ATOM 0 HB3 PRO A 2 4.690 12.233 35.296 1.00 0.00 H new ATOM 0 HG2 PRO A 2 7.114 11.544 33.737 1.00 0.00 H new ATOM 0 HG3 PRO A 2 6.591 10.942 35.297 1.00 0.00 H new ATOM 0 HD2 PRO A 2 6.346 9.597 32.798 1.00 0.00 H new ATOM 0 HD3 PRO A 2 5.652 9.087 34.324 1.00 0.00 H new ATOM 33 N LYS A 3 3.798 13.637 31.772 1.00 0.00 N ATOM 34 CA LYS A 3 3.963 14.430 30.558 1.00 0.00 C ATOM 35 C LYS A 3 4.926 15.582 30.808 1.00 0.00 C ATOM 36 O LYS A 3 4.802 16.650 30.209 1.00 0.00 O ATOM 37 CB LYS A 3 2.612 14.971 30.099 1.00 0.00 C ATOM 38 CG LYS A 3 1.653 13.838 29.745 1.00 0.00 C ATOM 39 CD LYS A 3 0.490 14.344 28.896 1.00 0.00 C ATOM 40 CE LYS A 3 -0.199 13.197 28.162 1.00 0.00 C ATOM 41 NZ LYS A 3 -0.175 13.406 26.687 1.00 0.00 N ATOM 0 H LYS A 3 3.178 14.054 32.466 1.00 0.00 H new ATOM 0 HA LYS A 3 4.374 13.791 29.776 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.177 15.586 30.887 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.752 15.616 29.232 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.190 13.059 29.203 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.269 13.384 30.659 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.231 14.857 29.532 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.855 15.074 28.174 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.296 12.257 28.406 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.231 13.112 28.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.651 12.610 26.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.668 14.291 26.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.811 13.463 26.360 1.00 0.00 H new ATOM 55 N VAL A 4 5.885 15.357 31.700 1.00 0.00 N ATOM 56 CA VAL A 4 6.875 16.375 32.037 1.00 0.00 C ATOM 57 C VAL A 4 7.812 15.858 33.118 1.00 0.00 C ATOM 58 O VAL A 4 7.525 14.868 33.791 1.00 0.00 O ATOM 59 CB VAL A 4 6.167 17.653 32.502 1.00 0.00 C ATOM 60 CG1 VAL A 4 5.039 17.317 33.473 1.00 0.00 C ATOM 61 CG2 VAL A 4 7.138 18.651 33.136 1.00 0.00 C ATOM 0 H VAL A 4 5.998 14.477 32.204 1.00 0.00 H new ATOM 0 HA VAL A 4 7.468 16.605 31.152 1.00 0.00 H new ATOM 0 HB VAL A 4 5.744 18.128 31.617 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.548 18.236 33.792 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.314 16.671 32.978 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.449 16.803 34.343 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.592 19.541 33.450 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.616 18.194 34.002 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.899 18.931 32.408 1.00 0.00 H new ATOM 71 N THR A 5 8.933 16.544 33.273 1.00 0.00 N ATOM 72 CA THR A 5 9.929 16.173 34.272 1.00 0.00 C ATOM 73 C THR A 5 10.805 17.368 34.619 1.00 0.00 C ATOM 74 O THR A 5 11.361 18.021 33.736 1.00 0.00 O ATOM 75 CB THR A 5 10.795 15.032 33.749 1.00 0.00 C ATOM 76 OG1 THR A 5 10.976 15.163 32.347 1.00 0.00 O ATOM 77 CG2 THR A 5 10.164 13.681 34.073 1.00 0.00 C ATOM 0 H THR A 5 9.179 17.364 32.719 1.00 0.00 H new ATOM 0 HA THR A 5 9.410 15.845 35.173 1.00 0.00 H new ATOM 0 HB THR A 5 11.766 15.083 34.241 1.00 0.00 H new ATOM 0 HG1 THR A 5 11.535 14.428 32.019 1.00 0.00 H new ATOM 0 HG21 THR A 5 10.799 12.882 33.691 1.00 0.00 H new ATOM 0 HG22 THR A 5 10.061 13.577 35.153 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.181 13.618 33.607 1.00 0.00 H new ATOM 85 N PHE A 6 10.927 17.647 35.911 1.00 0.00 N ATOM 86 CA PHE A 6 11.738 18.763 36.382 1.00 0.00 C ATOM 87 C PHE A 6 13.066 18.253 36.925 1.00 0.00 C ATOM 88 O PHE A 6 13.310 17.047 36.956 1.00 0.00 O ATOM 89 CB PHE A 6 10.985 19.529 37.464 1.00 0.00 C ATOM 90 CG PHE A 6 9.639 20.022 36.996 1.00 0.00 C ATOM 91 CD1 PHE A 6 8.617 19.119 36.748 1.00 0.00 C ATOM 92 CD2 PHE A 6 9.422 21.378 36.811 1.00 0.00 C ATOM 93 CE1 PHE A 6 7.381 19.572 36.317 1.00 0.00 C ATOM 94 CE2 PHE A 6 8.186 21.830 36.379 1.00 0.00 C ATOM 95 CZ PHE A 6 7.166 20.927 36.132 1.00 0.00 C ATOM 0 H PHE A 6 10.473 17.114 36.653 1.00 0.00 H new ATOM 0 HA PHE A 6 11.938 19.435 35.547 1.00 0.00 H new ATOM 0 HB2 PHE A 6 10.850 18.885 38.333 1.00 0.00 H new ATOM 0 HB3 PHE A 6 11.586 20.378 37.788 1.00 0.00 H new ATOM 0 HD1 PHE A 6 8.785 18.062 36.891 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.217 22.083 37.004 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.585 18.868 36.125 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.018 22.887 36.235 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.202 21.280 35.795 1.00 0.00 H new ATOM 105 N THR A 7 13.925 19.173 37.349 1.00 0.00 N ATOM 106 CA THR A 7 15.230 18.808 37.887 1.00 0.00 C ATOM 107 C THR A 7 15.859 19.995 38.601 1.00 0.00 C ATOM 108 O THR A 7 16.219 20.990 37.972 1.00 0.00 O ATOM 109 CB THR A 7 16.146 18.334 36.761 1.00 0.00 C ATOM 110 OG1 THR A 7 15.381 18.041 35.603 1.00 0.00 O ATOM 111 CG2 THR A 7 16.938 17.102 37.189 1.00 0.00 C ATOM 0 H THR A 7 13.741 20.176 37.331 1.00 0.00 H new ATOM 0 HA THR A 7 15.097 17.998 38.604 1.00 0.00 H new ATOM 0 HB THR A 7 16.851 19.133 36.532 1.00 0.00 H new ATOM 0 HG1 THR A 7 15.976 17.739 34.885 1.00 0.00 H new ATOM 0 HG21 THR A 7 17.584 16.782 36.371 1.00 0.00 H new ATOM 0 HG22 THR A 7 17.548 17.346 38.059 1.00 0.00 H new ATOM 0 HG23 THR A 7 16.249 16.297 37.443 1.00 0.00 H new ATOM 119 N VAL A 8 15.988 19.882 39.917 1.00 0.00 N ATOM 120 CA VAL A 8 16.574 20.943 40.728 1.00 0.00 C ATOM 121 C VAL A 8 17.982 21.263 40.246 1.00 0.00 C ATOM 122 O VAL A 8 18.964 20.734 40.767 1.00 0.00 O ATOM 123 CB VAL A 8 16.604 20.517 42.192 1.00 0.00 C ATOM 124 CG1 VAL A 8 16.959 21.700 43.089 1.00 0.00 C ATOM 125 CG2 VAL A 8 15.261 19.919 42.598 1.00 0.00 C ATOM 0 H VAL A 8 15.693 19.062 40.448 1.00 0.00 H new ATOM 0 HA VAL A 8 15.963 21.840 40.630 1.00 0.00 H new ATOM 0 HB VAL A 8 17.373 19.754 42.314 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.975 21.376 44.129 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.941 22.084 42.813 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.214 22.486 42.966 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.298 19.620 43.645 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.475 20.662 42.460 1.00 0.00 H new ATOM 0 HG23 VAL A 8 15.049 19.047 41.979 1.00 0.00 H new ATOM 135 N GLU A 9 18.074 22.135 39.248 1.00 0.00 N ATOM 136 CA GLU A 9 19.361 22.532 38.689 1.00 0.00 C ATOM 137 C GLU A 9 20.225 23.184 39.760 1.00 0.00 C ATOM 138 O GLU A 9 19.722 23.627 40.792 1.00 0.00 O ATOM 139 CB GLU A 9 19.143 23.502 37.531 1.00 0.00 C ATOM 140 CG GLU A 9 18.811 22.759 36.241 1.00 0.00 C ATOM 141 CD GLU A 9 20.083 22.479 35.452 1.00 0.00 C ATOM 142 OE1 GLU A 9 20.814 21.534 35.816 1.00 0.00 O ATOM 143 OE2 GLU A 9 20.346 23.205 34.470 1.00 0.00 O ATOM 0 H GLU A 9 17.269 22.582 38.808 1.00 0.00 H new ATOM 0 HA GLU A 9 19.875 21.644 38.321 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.333 24.189 37.777 1.00 0.00 H new ATOM 0 HB3 GLU A 9 20.039 24.105 37.385 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.305 21.822 36.473 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.124 23.352 35.638 1.00 0.00 H new ATOM 150 N LYS A 10 21.530 23.240 39.508 1.00 0.00 N ATOM 151 CA LYS A 10 22.469 23.839 40.452 1.00 0.00 C ATOM 152 C LYS A 10 22.067 25.274 40.766 1.00 0.00 C ATOM 153 O LYS A 10 21.098 25.794 40.214 1.00 0.00 O ATOM 154 CB LYS A 10 23.881 23.811 39.872 1.00 0.00 C ATOM 155 CG LYS A 10 24.366 22.379 39.662 1.00 0.00 C ATOM 156 CD LYS A 10 24.596 22.086 38.183 1.00 0.00 C ATOM 157 CE LYS A 10 26.065 22.259 37.805 1.00 0.00 C ATOM 158 NZ LYS A 10 26.451 23.698 37.776 1.00 0.00 N ATOM 0 H LYS A 10 21.961 22.878 38.658 1.00 0.00 H new ATOM 0 HA LYS A 10 22.449 23.261 41.376 1.00 0.00 H new ATOM 0 HB2 LYS A 10 23.897 24.346 38.922 1.00 0.00 H new ATOM 0 HB3 LYS A 10 24.563 24.333 40.543 1.00 0.00 H new ATOM 0 HG2 LYS A 10 25.292 22.221 40.215 1.00 0.00 H new ATOM 0 HG3 LYS A 10 23.632 21.681 40.064 1.00 0.00 H new ATOM 0 HD2 LYS A 10 24.278 21.068 37.958 1.00 0.00 H new ATOM 0 HD3 LYS A 10 23.982 22.753 37.578 1.00 0.00 H new ATOM 0 HE2 LYS A 10 26.692 21.727 38.520 1.00 0.00 H new ATOM 0 HE3 LYS A 10 26.246 21.812 36.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 27.454 23.783 37.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 25.868 24.200 37.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 26.300 24.117 38.716 1.00 0.00 H new ATOM 172 N GLY A 11 22.821 25.911 41.656 1.00 0.00 N ATOM 173 CA GLY A 11 22.549 27.290 42.048 1.00 0.00 C ATOM 174 C GLY A 11 21.381 27.372 43.028 1.00 0.00 C ATOM 175 O GLY A 11 20.855 28.456 43.283 1.00 0.00 O ATOM 0 H GLY A 11 23.627 25.493 42.121 1.00 0.00 H new ATOM 0 HA2 GLY A 11 23.440 27.722 42.504 1.00 0.00 H new ATOM 0 HA3 GLY A 11 22.325 27.884 41.162 1.00 0.00 H new ATOM 179 N SER A 12 20.977 26.230 43.581 1.00 0.00 N ATOM 180 CA SER A 12 19.874 26.193 44.534 1.00 0.00 C ATOM 181 C SER A 12 20.392 26.450 45.942 1.00 0.00 C ATOM 182 O SER A 12 21.080 25.610 46.523 1.00 0.00 O ATOM 183 CB SER A 12 19.181 24.835 44.472 1.00 0.00 C ATOM 184 OG SER A 12 18.800 24.530 43.139 1.00 0.00 O ATOM 0 H SER A 12 21.397 25.321 43.385 1.00 0.00 H new ATOM 0 HA SER A 12 19.155 26.971 44.276 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.849 24.062 44.851 1.00 0.00 H new ATOM 0 HB3 SER A 12 18.301 24.840 45.116 1.00 0.00 H new ATOM 0 HG SER A 12 19.580 24.206 42.642 1.00 0.00 H new ATOM 190 N ASN A 13 20.066 27.618 46.487 1.00 0.00 N ATOM 191 CA ASN A 13 20.510 27.983 47.828 1.00 0.00 C ATOM 192 C ASN A 13 19.543 28.971 48.468 1.00 0.00 C ATOM 193 O ASN A 13 18.786 29.653 47.777 1.00 0.00 O ATOM 194 CB ASN A 13 21.903 28.601 47.760 1.00 0.00 C ATOM 195 CG ASN A 13 21.934 29.708 46.716 1.00 0.00 C ATOM 196 OD1 ASN A 13 22.057 29.445 45.520 1.00 0.00 O ATOM 197 ND2 ASN A 13 21.823 30.950 47.169 1.00 0.00 N ATOM 0 H ASN A 13 19.498 28.326 46.022 1.00 0.00 H new ATOM 0 HA ASN A 13 20.539 27.081 48.439 1.00 0.00 H new ATOM 0 HB2 ASN A 13 22.179 29.002 48.735 1.00 0.00 H new ATOM 0 HB3 ASN A 13 22.637 27.835 47.511 1.00 0.00 H new ATOM 0 HD21 ASN A 13 21.838 31.734 46.517 1.00 0.00 H new ATOM 0 HD22 ASN A 13 21.723 31.121 48.170 1.00 0.00 H new ATOM 204 N GLU A 14 19.582 29.044 49.796 1.00 0.00 N ATOM 205 CA GLU A 14 18.720 29.949 50.552 1.00 0.00 C ATOM 206 C GLU A 14 17.254 29.730 50.191 1.00 0.00 C ATOM 207 O GLU A 14 16.550 28.976 50.862 1.00 0.00 O ATOM 208 CB GLU A 14 19.120 31.397 50.283 1.00 0.00 C ATOM 209 CG GLU A 14 20.108 31.900 51.332 1.00 0.00 C ATOM 210 CD GLU A 14 21.279 32.604 50.659 1.00 0.00 C ATOM 211 OE1 GLU A 14 21.038 33.550 49.881 1.00 0.00 O ATOM 212 OE2 GLU A 14 22.436 32.207 50.912 1.00 0.00 O ATOM 0 H GLU A 14 20.207 28.482 50.375 1.00 0.00 H new ATOM 0 HA GLU A 14 18.844 29.737 51.614 1.00 0.00 H new ATOM 0 HB2 GLU A 14 19.566 31.476 49.292 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.232 32.029 50.284 1.00 0.00 H new ATOM 0 HG2 GLU A 14 19.606 32.586 52.015 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.472 31.064 51.929 1.00 0.00 H new ATOM 219 N LYS A 15 16.794 30.393 49.132 1.00 0.00 N ATOM 220 CA LYS A 15 15.407 30.263 48.695 1.00 0.00 C ATOM 221 C LYS A 15 15.317 30.273 47.171 1.00 0.00 C ATOM 222 O LYS A 15 14.269 30.586 46.607 1.00 0.00 O ATOM 223 CB LYS A 15 14.571 31.402 49.275 1.00 0.00 C ATOM 224 CG LYS A 15 14.962 32.748 48.668 1.00 0.00 C ATOM 225 CD LYS A 15 15.565 33.675 49.720 1.00 0.00 C ATOM 226 CE LYS A 15 15.792 35.075 49.156 1.00 0.00 C ATOM 227 NZ LYS A 15 15.926 36.083 50.245 1.00 0.00 N ATOM 0 H LYS A 15 17.359 31.023 48.563 1.00 0.00 H new ATOM 0 HA LYS A 15 15.018 29.311 49.056 1.00 0.00 H new ATOM 0 HB2 LYS A 15 13.514 31.211 49.089 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.703 31.437 50.356 1.00 0.00 H new ATOM 0 HG2 LYS A 15 15.680 32.592 47.863 1.00 0.00 H new ATOM 0 HG3 LYS A 15 14.084 33.219 48.225 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.901 33.731 50.583 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.511 33.264 50.072 1.00 0.00 H new ATOM 0 HE2 LYS A 15 16.692 35.080 48.541 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.960 35.347 48.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.079 37.024 49.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.057 36.094 50.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.735 35.835 50.850 1.00 0.00 H new ATOM 241 N HIS A 16 16.416 29.923 46.509 1.00 0.00 N ATOM 242 CA HIS A 16 16.451 29.889 45.050 1.00 0.00 C ATOM 243 C HIS A 16 16.237 28.464 44.558 1.00 0.00 C ATOM 244 O HIS A 16 17.006 27.562 44.889 1.00 0.00 O ATOM 245 CB HIS A 16 17.790 30.420 44.547 1.00 0.00 C ATOM 246 CG HIS A 16 17.693 31.809 43.996 1.00 0.00 C ATOM 247 ND1 HIS A 16 17.258 32.882 44.731 1.00 0.00 N ATOM 248 CD2 HIS A 16 17.976 32.318 42.769 1.00 0.00 C ATOM 249 CE1 HIS A 16 17.269 33.981 44.013 1.00 0.00 C ATOM 250 NE2 HIS A 16 17.704 33.674 42.802 1.00 0.00 N ATOM 0 H HIS A 16 17.293 29.659 46.959 1.00 0.00 H new ATOM 0 HA HIS A 16 15.652 30.521 44.662 1.00 0.00 H new ATOM 0 HB2 HIS A 16 18.511 30.408 45.365 1.00 0.00 H new ATOM 0 HB3 HIS A 16 18.173 29.753 43.774 1.00 0.00 H new ATOM 0 HD2 HIS A 16 18.347 31.763 41.920 1.00 0.00 H new ATOM 0 HE1 HIS A 16 16.975 34.963 44.352 1.00 0.00 H new ATOM 0 HE2 HIS A 16 17.819 34.325 42.026 1.00 0.00 H new ATOM 258 N LEU A 17 15.182 28.263 43.774 1.00 0.00 N ATOM 259 CA LEU A 17 14.865 26.939 43.248 1.00 0.00 C ATOM 260 C LEU A 17 15.035 26.904 41.736 1.00 0.00 C ATOM 261 O LEU A 17 14.148 27.313 40.988 1.00 0.00 O ATOM 262 CB LEU A 17 13.433 26.562 43.626 1.00 0.00 C ATOM 263 CG LEU A 17 13.354 25.164 44.241 1.00 0.00 C ATOM 264 CD1 LEU A 17 13.581 24.095 43.177 1.00 0.00 C ATOM 265 CD2 LEU A 17 14.361 25.009 45.379 1.00 0.00 C ATOM 0 H LEU A 17 14.534 28.997 43.490 1.00 0.00 H new ATOM 0 HA LEU A 17 15.554 26.217 43.685 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.040 27.292 44.333 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.800 26.605 42.739 1.00 0.00 H new ATOM 0 HG LEU A 17 12.354 25.034 44.654 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.521 23.108 43.635 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.818 24.184 42.404 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.567 24.229 42.731 1.00 0.00 H new ATOM 0 HD21 LEU A 17 14.284 24.006 45.799 1.00 0.00 H new ATOM 0 HD22 LEU A 17 15.369 25.166 44.996 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.149 25.744 46.155 1.00 0.00 H new ATOM 277 N ALA A 18 16.182 26.398 41.297 1.00 0.00 N ATOM 278 CA ALA A 18 16.488 26.289 39.873 1.00 0.00 C ATOM 279 C ALA A 18 15.940 24.978 39.320 1.00 0.00 C ATOM 280 O ALA A 18 16.036 23.936 39.968 1.00 0.00 O ATOM 281 CB ALA A 18 17.999 26.347 39.665 1.00 0.00 C ATOM 0 H ALA A 18 16.921 26.054 41.911 1.00 0.00 H new ATOM 0 HA ALA A 18 16.020 27.119 39.344 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.223 26.265 38.601 1.00 0.00 H new ATOM 0 HB2 ALA A 18 18.383 27.294 40.045 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.472 25.523 40.200 1.00 0.00 H new ATOM 287 N VAL A 19 15.367 25.031 38.121 1.00 0.00 N ATOM 288 CA VAL A 19 14.807 23.834 37.491 1.00 0.00 C ATOM 289 C VAL A 19 15.071 23.838 35.991 1.00 0.00 C ATOM 290 O VAL A 19 14.972 24.875 35.335 1.00 0.00 O ATOM 291 CB VAL A 19 13.305 23.755 37.749 1.00 0.00 C ATOM 292 CG1 VAL A 19 13.017 23.735 39.247 1.00 0.00 C ATOM 293 CG2 VAL A 19 12.584 24.920 37.079 1.00 0.00 C ATOM 0 H VAL A 19 15.277 25.883 37.567 1.00 0.00 H new ATOM 0 HA VAL A 19 15.293 22.962 37.928 1.00 0.00 H new ATOM 0 HB VAL A 19 12.932 22.827 37.317 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.941 23.678 39.410 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.498 22.868 39.699 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.406 24.645 39.704 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.514 24.846 37.274 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.962 25.861 37.479 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.760 24.887 36.004 1.00 0.00 H new ATOM 303 N LEU A 20 15.404 22.669 35.452 1.00 0.00 N ATOM 304 CA LEU A 20 15.682 22.533 34.026 1.00 0.00 C ATOM 305 C LEU A 20 14.465 21.978 33.295 1.00 0.00 C ATOM 306 O LEU A 20 14.602 21.216 32.338 1.00 0.00 O ATOM 307 CB LEU A 20 16.875 21.606 33.814 1.00 0.00 C ATOM 308 CG LEU A 20 17.853 22.186 32.796 1.00 0.00 C ATOM 309 CD1 LEU A 20 19.022 21.231 32.570 1.00 0.00 C ATOM 310 CD2 LEU A 20 17.142 22.481 31.478 1.00 0.00 C ATOM 0 H LEU A 20 15.488 21.801 35.982 1.00 0.00 H new ATOM 0 HA LEU A 20 15.914 23.519 33.623 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.387 21.446 34.763 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.525 20.632 33.472 1.00 0.00 H new ATOM 0 HG LEU A 20 18.246 23.122 33.193 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.708 21.662 31.841 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.547 21.069 33.511 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.647 20.279 32.196 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.855 22.894 30.764 1.00 0.00 H new ATOM 0 HD22 LEU A 20 16.721 21.559 31.078 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.342 23.201 31.649 1.00 0.00 H new ATOM 322 N VAL A 21 13.273 22.359 33.750 1.00 0.00 N ATOM 323 CA VAL A 21 12.036 21.890 33.132 1.00 0.00 C ATOM 324 C VAL A 21 12.012 22.243 31.651 1.00 0.00 C ATOM 325 O VAL A 21 11.889 23.412 31.282 1.00 0.00 O ATOM 326 CB VAL A 21 10.828 22.499 33.835 1.00 0.00 C ATOM 327 CG1 VAL A 21 10.886 24.013 33.793 1.00 0.00 C ATOM 328 CG2 VAL A 21 9.531 21.995 33.207 1.00 0.00 C ATOM 0 H VAL A 21 13.138 22.989 34.541 1.00 0.00 H new ATOM 0 HA VAL A 21 11.992 20.806 33.233 1.00 0.00 H new ATOM 0 HB VAL A 21 10.850 22.187 34.879 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.014 24.425 34.301 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.792 24.356 34.292 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.894 24.348 32.756 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.680 22.441 33.722 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.504 22.274 32.154 1.00 0.00 H new ATOM 0 HG23 VAL A 21 9.481 20.910 33.296 1.00 0.00 H new ATOM 338 N LYS A 22 12.133 21.224 30.806 1.00 0.00 N ATOM 339 CA LYS A 22 12.129 21.419 29.360 1.00 0.00 C ATOM 340 C LYS A 22 12.273 20.080 28.647 1.00 0.00 C ATOM 341 O LYS A 22 13.353 19.736 28.165 1.00 0.00 O ATOM 342 CB LYS A 22 13.272 22.348 28.960 1.00 0.00 C ATOM 343 CG LYS A 22 14.620 21.789 29.407 1.00 0.00 C ATOM 344 CD LYS A 22 15.560 21.599 28.221 1.00 0.00 C ATOM 345 CE LYS A 22 16.379 20.320 28.365 1.00 0.00 C ATOM 346 NZ LYS A 22 16.214 19.435 27.177 1.00 0.00 N ATOM 0 H LYS A 22 12.235 20.252 31.099 1.00 0.00 H new ATOM 0 HA LYS A 22 11.181 21.871 29.068 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.272 22.484 27.878 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.118 23.331 29.405 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.075 22.466 30.130 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.471 20.835 29.913 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.982 21.562 27.298 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.229 22.456 28.143 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.432 20.572 28.490 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.070 19.787 29.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 16.756 18.559 27.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.208 19.204 27.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.563 19.924 26.328 1.00 0.00 H new ATOM 360 N TYR A 23 11.180 19.325 28.583 1.00 0.00 N ATOM 361 CA TYR A 23 11.187 18.020 27.929 1.00 0.00 C ATOM 362 C TYR A 23 10.966 18.172 26.428 1.00 0.00 C ATOM 363 O TYR A 23 10.820 19.283 25.920 1.00 0.00 O ATOM 364 CB TYR A 23 10.109 17.119 28.530 1.00 0.00 C ATOM 365 CG TYR A 23 8.759 17.781 28.634 1.00 0.00 C ATOM 366 CD1 TYR A 23 7.870 17.711 27.576 1.00 0.00 C ATOM 367 CD2 TYR A 23 8.404 18.452 29.791 1.00 0.00 C ATOM 368 CE1 TYR A 23 6.627 18.312 27.676 1.00 0.00 C ATOM 369 CE2 TYR A 23 7.161 19.053 29.889 1.00 0.00 C ATOM 370 CZ TYR A 23 6.278 18.981 28.832 1.00 0.00 C ATOM 371 OH TYR A 23 5.042 19.577 28.931 1.00 0.00 O ATOM 0 H TYR A 23 10.278 19.594 28.976 1.00 0.00 H new ATOM 0 HA TYR A 23 12.161 17.560 28.092 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.018 16.220 27.921 1.00 0.00 H new ATOM 0 HB3 TYR A 23 10.426 16.800 29.523 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.146 17.188 26.672 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.097 18.507 30.618 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.932 18.258 26.851 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.883 19.577 30.791 1.00 0.00 H new ATOM 0 HH TYR A 23 4.881 19.844 29.860 1.00 0.00 H new ATOM 381 N GLU A 24 10.950 17.044 25.722 1.00 0.00 N ATOM 382 CA GLU A 24 10.754 17.038 24.274 1.00 0.00 C ATOM 383 C GLU A 24 9.573 17.919 23.882 1.00 0.00 C ATOM 384 O GLU A 24 9.747 18.965 23.257 1.00 0.00 O ATOM 385 CB GLU A 24 10.517 15.609 23.790 1.00 0.00 C ATOM 386 CG GLU A 24 10.575 15.522 22.268 1.00 0.00 C ATOM 387 CD GLU A 24 10.825 14.085 21.832 1.00 0.00 C ATOM 388 OE1 GLU A 24 11.595 13.380 22.519 1.00 0.00 O ATOM 389 OE2 GLU A 24 10.252 13.665 20.805 1.00 0.00 O ATOM 0 H GLU A 24 11.071 16.118 26.132 1.00 0.00 H new ATOM 0 HA GLU A 24 11.652 17.437 23.803 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.267 14.947 24.223 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.545 15.261 24.139 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.639 15.882 21.840 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.368 16.168 21.890 1.00 0.00 H new ATOM 396 N GLY A 25 8.371 17.489 24.251 1.00 0.00 N ATOM 397 CA GLY A 25 7.158 18.237 23.937 1.00 0.00 C ATOM 398 C GLY A 25 7.234 19.663 24.475 1.00 0.00 C ATOM 399 O GLY A 25 6.508 20.546 24.017 1.00 0.00 O ATOM 0 H GLY A 25 8.210 16.625 24.769 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.011 18.260 22.857 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.294 17.730 24.365 1.00 0.00 H new ATOM 403 N ASP A 26 8.112 19.885 25.450 1.00 0.00 N ATOM 404 CA ASP A 26 8.274 21.207 26.047 1.00 0.00 C ATOM 405 C ASP A 26 9.331 22.007 25.298 1.00 0.00 C ATOM 406 O ASP A 26 10.383 21.478 24.937 1.00 0.00 O ATOM 407 CB ASP A 26 8.674 21.071 27.513 1.00 0.00 C ATOM 408 CG ASP A 26 8.277 22.321 28.286 1.00 0.00 C ATOM 409 OD1 ASP A 26 8.835 23.401 27.999 1.00 0.00 O ATOM 410 OD2 ASP A 26 7.407 22.219 29.177 1.00 0.00 O ATOM 0 H ASP A 26 8.721 19.167 25.843 1.00 0.00 H new ATOM 0 HA ASP A 26 7.323 21.735 25.980 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.191 20.197 27.949 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.750 20.913 27.591 1.00 0.00 H new ATOM 415 N THR A 27 9.048 23.286 25.073 1.00 0.00 N ATOM 416 CA THR A 27 9.978 24.164 24.372 1.00 0.00 C ATOM 417 C THR A 27 10.305 25.402 25.210 1.00 0.00 C ATOM 418 O THR A 27 10.915 26.351 24.719 1.00 0.00 O ATOM 419 CB THR A 27 9.378 24.583 23.034 1.00 0.00 C ATOM 420 OG1 THR A 27 9.072 23.434 22.259 1.00 0.00 O ATOM 421 CG2 THR A 27 10.340 25.485 22.272 1.00 0.00 C ATOM 0 H THR A 27 8.182 23.738 25.366 1.00 0.00 H new ATOM 0 HA THR A 27 10.905 23.617 24.201 1.00 0.00 H new ATOM 0 HB THR A 27 8.461 25.140 23.225 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.686 23.711 21.402 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.893 25.772 21.320 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.545 26.379 22.861 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.272 24.950 22.088 1.00 0.00 H new ATOM 429 N MET A 28 9.907 25.384 26.478 1.00 0.00 N ATOM 430 CA MET A 28 10.166 26.502 27.381 1.00 0.00 C ATOM 431 C MET A 28 9.559 27.787 26.832 1.00 0.00 C ATOM 432 O MET A 28 10.003 28.307 25.809 1.00 0.00 O ATOM 433 CB MET A 28 11.669 26.682 27.561 1.00 0.00 C ATOM 434 CG MET A 28 12.337 25.373 27.973 1.00 0.00 C ATOM 435 SD MET A 28 14.100 25.356 27.606 1.00 0.00 S ATOM 436 CE MET A 28 14.076 24.981 25.846 1.00 0.00 C ATOM 0 H MET A 28 9.403 24.607 26.905 1.00 0.00 H new ATOM 0 HA MET A 28 9.707 26.283 28.345 1.00 0.00 H new ATOM 0 HB2 MET A 28 12.109 27.040 26.630 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.859 27.444 28.317 1.00 0.00 H new ATOM 0 HG2 MET A 28 12.190 25.214 29.041 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.853 24.543 27.457 1.00 0.00 H new ATOM 0 HE1 MET A 28 15.098 24.919 25.473 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.572 24.028 25.684 1.00 0.00 H new ATOM 0 HE3 MET A 28 13.543 25.769 25.313 1.00 0.00 H new ATOM 446 N ALA A 29 8.543 28.300 27.518 1.00 0.00 N ATOM 447 CA ALA A 29 7.881 29.528 27.093 1.00 0.00 C ATOM 448 C ALA A 29 7.729 30.489 28.267 1.00 0.00 C ATOM 449 O ALA A 29 8.069 31.668 28.161 1.00 0.00 O ATOM 450 CB ALA A 29 6.514 29.201 26.501 1.00 0.00 C ATOM 0 H ALA A 29 8.161 27.886 28.368 1.00 0.00 H new ATOM 0 HA ALA A 29 8.494 30.010 26.332 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.024 30.122 26.185 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.638 28.543 25.641 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.901 28.704 27.253 1.00 0.00 H new ATOM 456 N GLU A 30 7.220 29.984 29.387 1.00 0.00 N ATOM 457 CA GLU A 30 7.031 30.809 30.577 1.00 0.00 C ATOM 458 C GLU A 30 6.527 29.971 31.745 1.00 0.00 C ATOM 459 O GLU A 30 5.327 29.918 32.011 1.00 0.00 O ATOM 460 CB GLU A 30 6.041 31.930 30.282 1.00 0.00 C ATOM 461 CG GLU A 30 6.116 33.026 31.341 1.00 0.00 C ATOM 462 CD GLU A 30 4.932 33.974 31.203 1.00 0.00 C ATOM 463 OE1 GLU A 30 4.638 34.398 30.065 1.00 0.00 O ATOM 464 OE2 GLU A 30 4.300 34.291 32.232 1.00 0.00 O ATOM 0 H GLU A 30 6.932 29.012 29.496 1.00 0.00 H new ATOM 0 HA GLU A 30 7.995 31.239 30.851 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.250 32.355 29.300 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.030 31.525 30.245 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.120 32.581 32.336 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.049 33.580 31.236 1.00 0.00 H new ATOM 471 N VAL A 31 7.451 29.324 32.444 1.00 0.00 N ATOM 472 CA VAL A 31 7.104 28.494 33.592 1.00 0.00 C ATOM 473 C VAL A 31 6.603 29.365 34.737 1.00 0.00 C ATOM 474 O VAL A 31 6.940 30.546 34.820 1.00 0.00 O ATOM 475 CB VAL A 31 8.324 27.694 34.044 1.00 0.00 C ATOM 476 CG1 VAL A 31 7.927 26.657 35.090 1.00 0.00 C ATOM 477 CG2 VAL A 31 8.995 27.020 32.852 1.00 0.00 C ATOM 0 H VAL A 31 8.449 29.358 32.236 1.00 0.00 H new ATOM 0 HA VAL A 31 6.312 27.804 33.301 1.00 0.00 H new ATOM 0 HB VAL A 31 9.037 28.383 34.496 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.809 26.097 35.400 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.494 27.160 35.955 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.194 25.972 34.664 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.862 26.455 33.194 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.288 26.344 32.371 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.315 27.779 32.138 1.00 0.00 H new ATOM 487 N GLU A 32 5.794 28.781 35.617 1.00 0.00 N ATOM 488 CA GLU A 32 5.252 29.510 36.753 1.00 0.00 C ATOM 489 C GLU A 32 5.083 28.584 37.956 1.00 0.00 C ATOM 490 O GLU A 32 4.709 27.420 37.809 1.00 0.00 O ATOM 491 CB GLU A 32 3.920 30.156 36.366 1.00 0.00 C ATOM 492 CG GLU A 32 2.766 29.156 36.348 1.00 0.00 C ATOM 493 CD GLU A 32 1.682 29.621 35.384 1.00 0.00 C ATOM 494 OE1 GLU A 32 0.881 30.500 35.767 1.00 0.00 O ATOM 495 OE2 GLU A 32 1.634 29.107 34.247 1.00 0.00 O ATOM 0 H GLU A 32 5.501 27.805 35.563 1.00 0.00 H new ATOM 0 HA GLU A 32 5.951 30.297 37.036 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.691 30.957 37.069 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.015 30.614 35.381 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.131 28.173 36.049 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.351 29.051 37.350 1.00 0.00 H new ATOM 502 N LEU A 33 5.363 29.111 39.144 1.00 0.00 N ATOM 503 CA LEU A 33 5.246 28.337 40.378 1.00 0.00 C ATOM 504 C LEU A 33 3.981 28.728 41.134 1.00 0.00 C ATOM 505 O LEU A 33 3.208 29.568 40.674 1.00 0.00 O ATOM 506 CB LEU A 33 6.470 28.576 41.257 1.00 0.00 C ATOM 507 CG LEU A 33 7.473 27.432 41.137 1.00 0.00 C ATOM 508 CD1 LEU A 33 8.828 27.846 41.706 1.00 0.00 C ATOM 509 CD2 LEU A 33 6.953 26.186 41.849 1.00 0.00 C ATOM 0 H LEU A 33 5.673 30.073 39.280 1.00 0.00 H new ATOM 0 HA LEU A 33 5.187 27.279 40.123 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.948 29.513 40.971 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.159 28.682 42.296 1.00 0.00 H new ATOM 0 HG LEU A 33 7.600 27.197 40.080 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.530 27.018 41.612 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.206 28.707 41.155 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.716 28.109 42.758 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.682 25.381 41.753 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.796 26.409 42.904 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.009 25.877 41.399 1.00 0.00 H new ATOM 521 N ARG A 34 3.775 28.115 42.297 1.00 0.00 N ATOM 522 CA ARG A 34 2.601 28.403 43.117 1.00 0.00 C ATOM 523 C ARG A 34 3.003 28.622 44.570 1.00 0.00 C ATOM 524 O ARG A 34 2.829 29.715 45.105 1.00 0.00 O ATOM 525 CB ARG A 34 1.603 27.254 43.027 1.00 0.00 C ATOM 526 CG ARG A 34 0.384 27.515 43.908 1.00 0.00 C ATOM 527 CD ARG A 34 -0.873 26.881 43.318 1.00 0.00 C ATOM 528 NE ARG A 34 -1.910 26.771 44.338 1.00 0.00 N ATOM 529 CZ ARG A 34 -3.142 27.224 44.133 1.00 0.00 C ATOM 530 NH1 ARG A 34 -3.348 28.515 43.907 1.00 0.00 N ATOM 531 NH2 ARG A 34 -4.170 26.387 44.152 1.00 0.00 N ATOM 0 H ARG A 34 4.405 27.417 42.692 1.00 0.00 H new ATOM 0 HA ARG A 34 2.135 29.314 42.741 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.286 27.123 41.992 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.084 26.325 43.333 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.562 27.115 44.906 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.235 28.589 44.017 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.235 27.483 42.485 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.638 25.894 42.920 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.683 26.335 45.232 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.560 29.162 43.890 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.295 28.861 43.750 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.016 25.394 44.324 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.115 26.737 43.994 1.00 0.00 H new ATOM 545 N GLU A 35 3.521 27.559 45.200 1.00 0.00 N ATOM 546 CA GLU A 35 3.950 27.574 46.607 1.00 0.00 C ATOM 547 C GLU A 35 2.799 27.119 47.484 1.00 0.00 C ATOM 548 O GLU A 35 2.634 27.579 48.613 1.00 0.00 O ATOM 549 CB GLU A 35 4.440 28.954 47.056 1.00 0.00 C ATOM 550 CG GLU A 35 5.487 29.514 46.098 1.00 0.00 C ATOM 551 CD GLU A 35 6.211 30.688 46.742 1.00 0.00 C ATOM 552 OE1 GLU A 35 7.233 30.457 47.422 1.00 0.00 O ATOM 553 OE2 GLU A 35 5.756 31.837 46.565 1.00 0.00 O ATOM 0 H GLU A 35 3.656 26.656 44.744 1.00 0.00 H new ATOM 0 HA GLU A 35 4.794 26.891 46.705 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.595 29.640 47.115 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.863 28.883 48.058 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.203 28.736 45.834 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.009 29.835 45.172 1.00 0.00 H new ATOM 560 N HIS A 36 2.007 26.206 46.942 1.00 0.00 N ATOM 561 CA HIS A 36 0.859 25.661 47.644 1.00 0.00 C ATOM 562 C HIS A 36 -0.208 26.731 47.832 1.00 0.00 C ATOM 563 O HIS A 36 -1.278 26.668 47.227 1.00 0.00 O ATOM 564 CB HIS A 36 1.288 25.107 49.000 1.00 0.00 C ATOM 565 CG HIS A 36 0.569 23.847 49.369 1.00 0.00 C ATOM 566 ND1 HIS A 36 -0.753 23.812 49.732 1.00 0.00 N ATOM 567 CD2 HIS A 36 0.983 22.555 49.435 1.00 0.00 C ATOM 568 CE1 HIS A 36 -1.135 22.586 50.005 1.00 0.00 C ATOM 569 NE2 HIS A 36 -0.095 21.786 49.834 1.00 0.00 N ATOM 0 H HIS A 36 2.143 25.824 46.006 1.00 0.00 H new ATOM 0 HA HIS A 36 0.439 24.852 47.046 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.361 24.916 48.986 1.00 0.00 H new ATOM 0 HB3 HIS A 36 1.108 25.860 49.768 1.00 0.00 H new ATOM 0 HD2 HIS A 36 1.976 22.193 49.215 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -2.124 22.284 50.315 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -0.089 20.775 49.973 1.00 0.00 H new ATOM 577 N GLY A 37 0.091 27.714 48.673 1.00 0.00 N ATOM 578 CA GLY A 37 -0.842 28.802 48.943 1.00 0.00 C ATOM 579 C GLY A 37 -0.100 30.029 49.457 1.00 0.00 C ATOM 580 O GLY A 37 -0.378 30.521 50.551 1.00 0.00 O ATOM 0 H GLY A 37 0.973 27.780 49.180 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.388 29.055 48.034 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.580 28.482 49.679 1.00 0.00 H new ATOM 584 N SER A 38 0.845 30.517 48.662 1.00 0.00 N ATOM 585 CA SER A 38 1.631 31.688 49.034 1.00 0.00 C ATOM 586 C SER A 38 0.984 32.954 48.490 1.00 0.00 C ATOM 587 O SER A 38 0.848 33.948 49.203 1.00 0.00 O ATOM 588 CB SER A 38 3.053 31.553 48.495 1.00 0.00 C ATOM 589 OG SER A 38 3.853 32.650 48.912 1.00 0.00 O ATOM 0 H SER A 38 1.086 30.119 47.754 1.00 0.00 H new ATOM 0 HA SER A 38 1.668 31.755 50.121 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.494 30.620 48.847 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.032 31.505 47.406 1.00 0.00 H new ATOM 0 HG SER A 38 4.376 32.393 49.700 1.00 0.00 H new ATOM 595 N ASP A 39 0.587 32.913 47.221 1.00 0.00 N ATOM 596 CA ASP A 39 -0.047 34.061 46.580 1.00 0.00 C ATOM 597 C ASP A 39 -0.453 33.719 45.152 1.00 0.00 C ATOM 598 O ASP A 39 -0.106 34.433 44.211 1.00 0.00 O ATOM 599 CB ASP A 39 0.912 35.248 46.576 1.00 0.00 C ATOM 600 CG ASP A 39 2.183 34.896 45.814 1.00 0.00 C ATOM 601 OD1 ASP A 39 2.360 33.710 45.466 1.00 0.00 O ATOM 602 OD2 ASP A 39 3.001 35.808 45.567 1.00 0.00 O ATOM 0 H ASP A 39 0.693 32.098 46.617 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.943 34.323 47.143 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.431 36.111 46.116 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.159 35.528 47.600 1.00 0.00 H new ATOM 607 N GLU A 40 -1.192 32.626 44.995 1.00 0.00 N ATOM 608 CA GLU A 40 -1.649 32.190 43.678 1.00 0.00 C ATOM 609 C GLU A 40 -0.461 31.855 42.786 1.00 0.00 C ATOM 610 O GLU A 40 0.690 31.917 43.218 1.00 0.00 O ATOM 611 CB GLU A 40 -2.493 33.286 43.032 1.00 0.00 C ATOM 612 CG GLU A 40 -3.942 32.838 42.861 1.00 0.00 C ATOM 613 CD GLU A 40 -4.868 34.047 42.824 1.00 0.00 C ATOM 614 OE1 GLU A 40 -4.401 35.165 43.128 1.00 0.00 O ATOM 615 OE2 GLU A 40 -6.059 33.875 42.490 1.00 0.00 O ATOM 0 H GLU A 40 -1.488 32.024 45.764 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.257 31.293 43.799 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.458 34.186 43.647 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.073 33.547 42.061 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.046 32.263 41.941 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.225 32.179 43.682 1.00 0.00 H new ATOM 622 N TRP A 41 -0.748 31.497 41.538 1.00 0.00 N ATOM 623 CA TRP A 41 0.295 31.147 40.579 1.00 0.00 C ATOM 624 C TRP A 41 1.240 32.322 40.365 1.00 0.00 C ATOM 625 O TRP A 41 0.805 33.445 40.107 1.00 0.00 O ATOM 626 CB TRP A 41 -0.335 30.736 39.250 1.00 0.00 C ATOM 627 CG TRP A 41 -1.045 29.420 39.335 1.00 0.00 C ATOM 628 CD1 TRP A 41 -2.396 29.211 39.293 1.00 0.00 C ATOM 629 CD2 TRP A 41 -0.437 28.120 39.481 1.00 0.00 C ATOM 630 NE1 TRP A 41 -2.638 27.870 39.408 1.00 0.00 N ATOM 631 CE2 TRP A 41 -1.472 27.177 39.525 1.00 0.00 C ATOM 632 CE3 TRP A 41 0.880 27.665 39.581 1.00 0.00 C ATOM 633 CZ2 TRP A 41 -1.227 25.820 39.665 1.00 0.00 C ATOM 634 CZ3 TRP A 41 1.133 26.309 39.720 1.00 0.00 C ATOM 635 CH2 TRP A 41 0.090 25.395 39.763 1.00 0.00 C ATOM 0 H TRP A 41 -1.696 31.442 41.166 1.00 0.00 H new ATOM 0 HA TRP A 41 0.867 30.309 40.978 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -1.039 31.505 38.932 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.441 30.678 38.486 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.148 29.979 39.187 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.566 27.447 39.406 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.699 28.368 39.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.041 25.111 39.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.152 25.961 39.796 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.305 24.343 39.874 1.00 0.00 H new ATOM 646 N VAL A 42 2.538 32.055 40.471 1.00 0.00 N ATOM 647 CA VAL A 42 3.554 33.085 40.287 1.00 0.00 C ATOM 648 C VAL A 42 4.517 32.679 39.180 1.00 0.00 C ATOM 649 O VAL A 42 5.223 31.677 39.295 1.00 0.00 O ATOM 650 CB VAL A 42 4.318 33.304 41.590 1.00 0.00 C ATOM 651 CG1 VAL A 42 3.360 33.697 42.711 1.00 0.00 C ATOM 652 CG2 VAL A 42 5.101 32.051 41.971 1.00 0.00 C ATOM 0 H VAL A 42 2.912 31.130 40.684 1.00 0.00 H new ATOM 0 HA VAL A 42 3.064 34.016 40.003 1.00 0.00 H new ATOM 0 HB VAL A 42 5.027 34.118 41.440 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.921 33.849 43.633 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.845 34.620 42.443 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.628 32.903 42.859 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.639 32.227 42.903 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.412 31.217 42.102 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.813 31.812 41.181 1.00 0.00 H new ATOM 662 N ALA A 43 4.538 33.457 38.105 1.00 0.00 N ATOM 663 CA ALA A 43 5.413 33.174 36.973 1.00 0.00 C ATOM 664 C ALA A 43 6.864 33.086 37.430 1.00 0.00 C ATOM 665 O ALA A 43 7.308 33.867 38.272 1.00 0.00 O ATOM 666 CB ALA A 43 5.267 34.263 35.915 1.00 0.00 C ATOM 0 H ALA A 43 3.959 34.289 37.993 1.00 0.00 H new ATOM 0 HA ALA A 43 5.124 32.216 36.542 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.924 34.043 35.074 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.234 34.298 35.569 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.538 35.227 36.345 1.00 0.00 H new ATOM 672 N MET A 44 7.600 32.134 36.865 1.00 0.00 N ATOM 673 CA MET A 44 9.005 31.945 37.210 1.00 0.00 C ATOM 674 C MET A 44 9.835 33.098 36.660 1.00 0.00 C ATOM 675 O MET A 44 9.290 34.116 36.231 1.00 0.00 O ATOM 676 CB MET A 44 9.507 30.622 36.640 1.00 0.00 C ATOM 677 CG MET A 44 9.758 29.599 37.744 1.00 0.00 C ATOM 678 SD MET A 44 11.266 29.937 38.666 1.00 0.00 S ATOM 679 CE MET A 44 11.506 28.365 39.509 1.00 0.00 C ATOM 0 H MET A 44 7.247 31.481 36.166 1.00 0.00 H new ATOM 0 HA MET A 44 9.105 31.924 38.295 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.775 30.227 35.935 1.00 0.00 H new ATOM 0 HB3 MET A 44 10.428 30.791 36.082 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.910 29.593 38.429 1.00 0.00 H new ATOM 0 HG3 MET A 44 9.820 28.603 37.305 1.00 0.00 H new ATOM 0 HE1 MET A 44 12.073 28.527 40.426 1.00 0.00 H new ATOM 0 HE2 MET A 44 10.536 27.932 39.754 1.00 0.00 H new ATOM 0 HE3 MET A 44 12.054 27.683 38.859 1.00 0.00 H new ATOM 689 N THR A 45 11.154 32.939 36.674 1.00 0.00 N ATOM 690 CA THR A 45 12.051 33.976 36.174 1.00 0.00 C ATOM 691 C THR A 45 13.362 33.367 35.695 1.00 0.00 C ATOM 692 O THR A 45 14.022 32.631 36.429 1.00 0.00 O ATOM 693 CB THR A 45 12.325 34.999 37.272 1.00 0.00 C ATOM 694 OG1 THR A 45 11.104 35.561 37.728 1.00 0.00 O ATOM 695 CG2 THR A 45 13.251 36.101 36.765 1.00 0.00 C ATOM 0 H THR A 45 11.625 32.105 37.025 1.00 0.00 H new ATOM 0 HA THR A 45 11.571 34.472 35.331 1.00 0.00 H new ATOM 0 HB THR A 45 12.817 34.491 38.102 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.289 36.215 38.434 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.433 36.820 37.564 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.198 35.664 36.448 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.785 36.608 35.920 1.00 0.00 H new ATOM 703 N LYS A 46 13.738 33.686 34.461 1.00 0.00 N ATOM 704 CA LYS A 46 14.976 33.178 33.880 1.00 0.00 C ATOM 705 C LYS A 46 16.173 33.878 34.509 1.00 0.00 C ATOM 706 O LYS A 46 16.765 34.775 33.910 1.00 0.00 O ATOM 707 CB LYS A 46 14.974 33.407 32.372 1.00 0.00 C ATOM 708 CG LYS A 46 14.595 34.846 32.033 1.00 0.00 C ATOM 709 CD LYS A 46 15.074 35.231 30.637 1.00 0.00 C ATOM 710 CE LYS A 46 14.264 34.517 29.559 1.00 0.00 C ATOM 711 NZ LYS A 46 14.249 35.296 28.289 1.00 0.00 N ATOM 0 H LYS A 46 13.202 34.295 33.843 1.00 0.00 H new ATOM 0 HA LYS A 46 15.047 32.108 34.078 1.00 0.00 H new ATOM 0 HB2 LYS A 46 15.960 33.183 31.966 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.271 32.722 31.898 1.00 0.00 H new ATOM 0 HG2 LYS A 46 13.513 34.963 32.094 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.031 35.522 32.769 1.00 0.00 H new ATOM 0 HD2 LYS A 46 14.989 36.310 30.505 1.00 0.00 H new ATOM 0 HD3 LYS A 46 16.129 34.979 30.529 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.687 33.529 29.377 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.242 34.367 29.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.691 34.786 27.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.823 36.229 28.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 15.223 35.418 27.945 1.00 0.00 H new ATOM 725 N GLY A 47 16.520 33.469 35.724 1.00 0.00 N ATOM 726 CA GLY A 47 17.643 34.065 36.439 1.00 0.00 C ATOM 727 C GLY A 47 18.926 33.282 36.198 1.00 0.00 C ATOM 728 O GLY A 47 20.024 33.830 36.302 1.00 0.00 O ATOM 0 H GLY A 47 16.040 32.728 36.235 1.00 0.00 H new ATOM 0 HA2 GLY A 47 17.777 35.097 36.115 1.00 0.00 H new ATOM 0 HA3 GLY A 47 17.425 34.092 37.507 1.00 0.00 H new ATOM 732 N GLU A 48 18.790 31.996 35.886 1.00 0.00 N ATOM 733 CA GLU A 48 19.946 31.147 35.645 1.00 0.00 C ATOM 734 C GLU A 48 20.394 31.221 34.186 1.00 0.00 C ATOM 735 O GLU A 48 21.525 30.860 33.862 1.00 0.00 O ATOM 736 CB GLU A 48 19.601 29.712 36.011 1.00 0.00 C ATOM 737 CG GLU A 48 20.167 29.339 37.378 1.00 0.00 C ATOM 738 CD GLU A 48 21.588 28.811 37.237 1.00 0.00 C ATOM 739 OE1 GLU A 48 21.801 27.883 36.428 1.00 0.00 O ATOM 740 OE2 GLU A 48 22.486 29.325 37.936 1.00 0.00 O ATOM 0 H GLU A 48 17.891 31.522 35.795 1.00 0.00 H new ATOM 0 HA GLU A 48 20.770 31.499 36.265 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.518 29.586 36.016 1.00 0.00 H new ATOM 0 HB3 GLU A 48 19.997 29.036 35.254 1.00 0.00 H new ATOM 0 HG2 GLU A 48 20.159 30.211 38.032 1.00 0.00 H new ATOM 0 HG3 GLU A 48 19.536 28.583 37.846 1.00 0.00 H new ATOM 747 N GLY A 49 19.507 31.681 33.308 1.00 0.00 N ATOM 748 CA GLY A 49 19.826 31.789 31.885 1.00 0.00 C ATOM 749 C GLY A 49 19.315 30.567 31.134 1.00 0.00 C ATOM 750 O GLY A 49 18.750 30.682 30.046 1.00 0.00 O ATOM 0 H GLY A 49 18.565 31.984 33.554 1.00 0.00 H new ATOM 0 HA2 GLY A 49 19.376 32.692 31.472 1.00 0.00 H new ATOM 0 HA3 GLY A 49 20.904 31.881 31.753 1.00 0.00 H new ATOM 754 N GLY A 50 19.507 29.396 31.733 1.00 0.00 N ATOM 755 CA GLY A 50 19.056 28.141 31.144 1.00 0.00 C ATOM 756 C GLY A 50 18.327 27.312 32.192 1.00 0.00 C ATOM 757 O GLY A 50 18.238 26.089 32.086 1.00 0.00 O ATOM 0 H GLY A 50 19.976 29.291 32.633 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.395 28.341 30.301 1.00 0.00 H new ATOM 0 HA3 GLY A 50 19.908 27.584 30.755 1.00 0.00 H new ATOM 761 N VAL A 51 17.812 27.995 33.212 1.00 0.00 N ATOM 762 CA VAL A 51 17.094 27.350 34.298 1.00 0.00 C ATOM 763 C VAL A 51 16.213 28.386 34.988 1.00 0.00 C ATOM 764 O VAL A 51 16.575 29.559 35.074 1.00 0.00 O ATOM 765 CB VAL A 51 18.104 26.747 35.277 1.00 0.00 C ATOM 766 CG1 VAL A 51 17.444 26.337 36.582 1.00 0.00 C ATOM 767 CG2 VAL A 51 18.819 25.556 34.643 1.00 0.00 C ATOM 0 H VAL A 51 17.883 29.008 33.305 1.00 0.00 H new ATOM 0 HA VAL A 51 16.460 26.548 33.919 1.00 0.00 H new ATOM 0 HB VAL A 51 18.840 27.518 35.507 1.00 0.00 H new ATOM 0 HG11 VAL A 51 18.193 25.913 37.251 1.00 0.00 H new ATOM 0 HG12 VAL A 51 16.991 27.211 37.051 1.00 0.00 H new ATOM 0 HG13 VAL A 51 16.674 25.592 36.382 1.00 0.00 H new ATOM 0 HG21 VAL A 51 19.533 25.140 35.354 1.00 0.00 H new ATOM 0 HG22 VAL A 51 18.088 24.793 34.375 1.00 0.00 H new ATOM 0 HG23 VAL A 51 19.347 25.883 33.747 1.00 0.00 H new ATOM 777 N TRP A 52 15.051 27.960 35.459 1.00 0.00 N ATOM 778 CA TRP A 52 14.121 28.869 36.118 1.00 0.00 C ATOM 779 C TRP A 52 14.326 28.845 37.624 1.00 0.00 C ATOM 780 O TRP A 52 14.141 27.815 38.272 1.00 0.00 O ATOM 781 CB TRP A 52 12.685 28.484 35.776 1.00 0.00 C ATOM 782 CG TRP A 52 12.570 27.847 34.426 1.00 0.00 C ATOM 783 CD1 TRP A 52 11.813 26.764 34.099 1.00 0.00 C ATOM 784 CD2 TRP A 52 13.263 28.241 33.224 1.00 0.00 C ATOM 785 NE1 TRP A 52 11.986 26.488 32.771 1.00 0.00 N ATOM 786 CE2 TRP A 52 12.860 27.366 32.207 1.00 0.00 C ATOM 787 CE3 TRP A 52 14.177 29.251 32.910 1.00 0.00 C ATOM 788 CZ2 TRP A 52 13.339 27.475 30.912 1.00 0.00 C ATOM 789 CZ3 TRP A 52 14.660 29.363 31.614 1.00 0.00 C ATOM 790 CH2 TRP A 52 14.242 28.483 30.624 1.00 0.00 C ATOM 0 H TRP A 52 14.729 26.994 35.398 1.00 0.00 H new ATOM 0 HA TRP A 52 14.312 29.881 35.761 1.00 0.00 H new ATOM 0 HB2 TRP A 52 12.306 27.797 36.532 1.00 0.00 H new ATOM 0 HB3 TRP A 52 12.056 29.373 35.810 1.00 0.00 H new ATOM 0 HD1 TRP A 52 11.179 26.213 34.778 1.00 0.00 H new ATOM 0 HE1 TRP A 52 11.524 25.728 32.271 1.00 0.00 H new ATOM 0 HE3 TRP A 52 14.506 29.941 33.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 13.015 26.788 30.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 15.368 30.142 31.373 1.00 0.00 H new ATOM 0 HH2 TRP A 52 14.626 28.587 29.620 1.00 0.00 H new ATOM 801 N THR A 53 14.708 29.990 38.175 1.00 0.00 N ATOM 802 CA THR A 53 14.939 30.110 39.608 1.00 0.00 C ATOM 803 C THR A 53 13.857 30.975 40.240 1.00 0.00 C ATOM 804 O THR A 53 13.446 31.985 39.668 1.00 0.00 O ATOM 805 CB THR A 53 16.313 30.720 39.866 1.00 0.00 C ATOM 806 OG1 THR A 53 16.564 31.763 38.936 1.00 0.00 O ATOM 807 CG2 THR A 53 17.405 29.658 39.768 1.00 0.00 C ATOM 0 H THR A 53 14.865 30.850 37.650 1.00 0.00 H new ATOM 0 HA THR A 53 14.904 29.117 40.056 1.00 0.00 H new ATOM 0 HB THR A 53 16.323 31.130 40.876 1.00 0.00 H new ATOM 0 HG1 THR A 53 17.447 32.150 39.110 1.00 0.00 H new ATOM 0 HG21 THR A 53 18.376 30.116 39.956 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.222 28.879 40.508 1.00 0.00 H new ATOM 0 HG23 THR A 53 17.398 29.219 38.770 1.00 0.00 H new ATOM 815 N PHE A 54 13.393 30.575 41.418 1.00 0.00 N ATOM 816 CA PHE A 54 12.352 31.317 42.121 1.00 0.00 C ATOM 817 C PHE A 54 12.872 31.837 43.455 1.00 0.00 C ATOM 818 O PHE A 54 13.635 31.159 44.143 1.00 0.00 O ATOM 819 CB PHE A 54 11.139 30.420 42.348 1.00 0.00 C ATOM 820 CG PHE A 54 9.941 31.176 42.861 1.00 0.00 C ATOM 821 CD1 PHE A 54 9.216 31.990 42.006 1.00 0.00 C ATOM 822 CD2 PHE A 54 9.565 31.059 44.189 1.00 0.00 C ATOM 823 CE1 PHE A 54 8.115 32.686 42.479 1.00 0.00 C ATOM 824 CE2 PHE A 54 8.465 31.755 44.661 1.00 0.00 C ATOM 825 CZ PHE A 54 7.740 32.568 43.807 1.00 0.00 C ATOM 0 H PHE A 54 13.720 29.742 41.907 1.00 0.00 H new ATOM 0 HA PHE A 54 12.059 32.170 41.508 1.00 0.00 H new ATOM 0 HB2 PHE A 54 10.878 29.926 41.412 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.400 29.637 43.059 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.509 32.082 40.971 1.00 0.00 H new ATOM 0 HD2 PHE A 54 10.130 30.425 44.856 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.550 33.320 41.812 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.172 31.663 45.697 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.882 33.110 44.176 1.00 0.00 H new ATOM 835 N ASP A 55 12.450 33.045 43.816 1.00 0.00 N ATOM 836 CA ASP A 55 12.867 33.662 45.071 1.00 0.00 C ATOM 837 C ASP A 55 11.742 33.584 46.094 1.00 0.00 C ATOM 838 O ASP A 55 10.761 34.323 46.008 1.00 0.00 O ATOM 839 CB ASP A 55 13.254 35.119 44.830 1.00 0.00 C ATOM 840 CG ASP A 55 13.669 35.781 46.138 1.00 0.00 C ATOM 841 OD1 ASP A 55 12.788 36.024 46.988 1.00 0.00 O ATOM 842 OD2 ASP A 55 14.876 36.056 46.309 1.00 0.00 O ATOM 0 H ASP A 55 11.818 33.617 43.256 1.00 0.00 H new ATOM 0 HA ASP A 55 13.732 33.123 45.459 1.00 0.00 H new ATOM 0 HB2 ASP A 55 14.073 35.171 44.113 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.413 35.658 44.393 1.00 0.00 H new ATOM 847 N SER A 56 11.885 32.682 47.060 1.00 0.00 N ATOM 848 CA SER A 56 10.876 32.505 48.099 1.00 0.00 C ATOM 849 C SER A 56 11.091 33.504 49.228 1.00 0.00 C ATOM 850 O SER A 56 12.226 33.830 49.575 1.00 0.00 O ATOM 851 CB SER A 56 10.936 31.082 48.647 1.00 0.00 C ATOM 852 OG SER A 56 11.402 30.184 47.652 1.00 0.00 O ATOM 0 H SER A 56 12.690 32.062 47.145 1.00 0.00 H new ATOM 0 HA SER A 56 9.893 32.680 47.661 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.596 31.048 49.514 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.947 30.775 48.987 1.00 0.00 H new ATOM 0 HG SER A 56 11.436 29.277 48.020 1.00 0.00 H new ATOM 858 N GLU A 57 9.992 33.985 49.799 1.00 0.00 N ATOM 859 CA GLU A 57 10.053 34.949 50.894 1.00 0.00 C ATOM 860 C GLU A 57 9.553 34.331 52.201 1.00 0.00 C ATOM 861 O GLU A 57 9.500 35.007 53.228 1.00 0.00 O ATOM 862 CB GLU A 57 9.215 36.176 50.548 1.00 0.00 C ATOM 863 CG GLU A 57 9.990 37.140 49.654 1.00 0.00 C ATOM 864 CD GLU A 57 9.752 36.805 48.187 1.00 0.00 C ATOM 865 OE1 GLU A 57 9.816 35.610 47.832 1.00 0.00 O ATOM 866 OE2 GLU A 57 9.504 37.739 47.395 1.00 0.00 O ATOM 0 H GLU A 57 9.046 33.723 49.522 1.00 0.00 H new ATOM 0 HA GLU A 57 11.093 35.244 51.033 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.300 35.864 50.044 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.916 36.686 51.464 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.678 38.165 49.856 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.055 37.081 49.880 1.00 0.00 H new ATOM 873 N GLU A 58 9.186 33.048 52.167 1.00 0.00 N ATOM 874 CA GLU A 58 8.695 32.363 53.358 1.00 0.00 C ATOM 875 C GLU A 58 9.562 31.147 53.666 1.00 0.00 C ATOM 876 O GLU A 58 10.225 30.608 52.780 1.00 0.00 O ATOM 877 CB GLU A 58 7.246 31.931 53.151 1.00 0.00 C ATOM 878 CG GLU A 58 7.122 30.955 51.985 1.00 0.00 C ATOM 879 CD GLU A 58 6.388 31.612 50.823 1.00 0.00 C ATOM 880 OE1 GLU A 58 7.024 32.390 50.082 1.00 0.00 O ATOM 881 OE2 GLU A 58 5.179 31.346 50.656 1.00 0.00 O ATOM 0 H GLU A 58 9.220 32.467 51.329 1.00 0.00 H new ATOM 0 HA GLU A 58 8.745 33.051 54.202 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.870 31.464 54.061 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.626 32.807 52.962 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.113 30.634 51.664 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.585 30.062 52.305 1.00 0.00 H new ATOM 888 N PRO A 59 9.568 30.698 54.933 1.00 0.00 N ATOM 889 CA PRO A 59 10.361 29.535 55.360 1.00 0.00 C ATOM 890 C PRO A 59 9.802 28.226 54.815 1.00 0.00 C ATOM 891 O PRO A 59 10.543 27.270 54.586 1.00 0.00 O ATOM 892 CB PRO A 59 10.267 29.568 56.879 1.00 0.00 C ATOM 893 CG PRO A 59 9.007 30.302 57.179 1.00 0.00 C ATOM 894 CD PRO A 59 8.807 31.280 56.052 1.00 0.00 C ATOM 0 HA PRO A 59 11.385 29.584 54.990 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.243 28.560 57.294 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.129 30.072 57.316 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.164 29.614 57.251 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.078 30.820 58.135 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.752 31.390 55.802 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.178 32.271 56.314 1.00 0.00 H new ATOM 902 N LEU A 60 8.490 28.188 54.613 1.00 0.00 N ATOM 903 CA LEU A 60 7.827 26.995 54.098 1.00 0.00 C ATOM 904 C LEU A 60 7.956 26.928 52.582 1.00 0.00 C ATOM 905 O LEU A 60 7.744 27.921 51.886 1.00 0.00 O ATOM 906 CB LEU A 60 6.356 27.009 54.499 1.00 0.00 C ATOM 907 CG LEU A 60 6.196 27.276 55.992 1.00 0.00 C ATOM 908 CD1 LEU A 60 5.174 28.384 56.232 1.00 0.00 C ATOM 909 CD2 LEU A 60 5.785 26.001 56.723 1.00 0.00 C ATOM 0 H LEU A 60 7.863 28.971 54.798 1.00 0.00 H new ATOM 0 HA LEU A 60 8.306 26.114 54.525 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.828 27.775 53.931 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.898 26.053 54.246 1.00 0.00 H new ATOM 0 HG LEU A 60 7.157 27.604 56.387 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.073 28.560 57.303 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.508 29.299 55.743 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.210 28.085 55.821 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.676 26.211 57.787 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.836 25.643 56.324 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.550 25.237 56.581 1.00 0.00 H new ATOM 921 N GLN A 61 8.307 25.750 52.075 1.00 0.00 N ATOM 922 CA GLN A 61 8.467 25.551 50.638 1.00 0.00 C ATOM 923 C GLN A 61 8.727 24.081 50.333 1.00 0.00 C ATOM 924 O GLN A 61 9.552 23.750 49.482 1.00 0.00 O ATOM 925 CB GLN A 61 9.624 26.402 50.121 1.00 0.00 C ATOM 926 CG GLN A 61 10.825 26.333 51.061 1.00 0.00 C ATOM 927 CD GLN A 61 11.520 24.983 50.931 1.00 0.00 C ATOM 928 OE1 GLN A 61 11.185 24.031 51.636 1.00 0.00 O ATOM 929 NE2 GLN A 61 12.490 24.902 50.029 1.00 0.00 N ATOM 0 H GLN A 61 8.486 24.918 52.638 1.00 0.00 H new ATOM 0 HA GLN A 61 7.548 25.855 50.138 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.916 26.059 49.128 1.00 0.00 H new ATOM 0 HB3 GLN A 61 9.299 27.437 50.018 1.00 0.00 H new ATOM 0 HG2 GLN A 61 11.526 27.135 50.827 1.00 0.00 H new ATOM 0 HG3 GLN A 61 10.499 26.485 52.090 1.00 0.00 H new ATOM 0 HE21 GLN A 61 12.733 25.718 49.467 1.00 0.00 H new ATOM 0 HE22 GLN A 61 12.992 24.024 49.898 1.00 0.00 H new ATOM 938 N GLY A 62 8.018 23.202 51.034 1.00 0.00 N ATOM 939 CA GLY A 62 8.171 21.764 50.841 1.00 0.00 C ATOM 940 C GLY A 62 7.883 21.377 49.395 1.00 0.00 C ATOM 941 O GLY A 62 8.774 21.412 48.546 1.00 0.00 O ATOM 0 H GLY A 62 7.331 23.461 51.742 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.184 21.463 51.108 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.494 21.229 51.507 1.00 0.00 H new ATOM 945 N PRO A 63 6.627 21.000 49.095 1.00 0.00 N ATOM 946 CA PRO A 63 6.223 20.603 47.741 1.00 0.00 C ATOM 947 C PRO A 63 5.973 21.808 46.842 1.00 0.00 C ATOM 948 O PRO A 63 5.353 22.787 47.258 1.00 0.00 O ATOM 949 CB PRO A 63 4.939 19.817 47.959 1.00 0.00 C ATOM 950 CG PRO A 63 4.371 20.317 49.251 1.00 0.00 C ATOM 951 CD PRO A 63 5.505 20.928 50.045 1.00 0.00 C ATOM 0 HA PRO A 63 6.999 20.027 47.237 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.240 19.974 47.138 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.139 18.747 48.008 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.592 21.056 49.066 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.910 19.501 49.808 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.239 21.916 50.420 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.757 20.316 50.911 1.00 0.00 H new ATOM 959 N PHE A 64 6.462 21.732 45.609 1.00 0.00 N ATOM 960 CA PHE A 64 6.293 22.818 44.650 1.00 0.00 C ATOM 961 C PHE A 64 5.288 22.432 43.574 1.00 0.00 C ATOM 962 O PHE A 64 5.166 21.262 43.212 1.00 0.00 O ATOM 963 CB PHE A 64 7.630 23.148 43.994 1.00 0.00 C ATOM 964 CG PHE A 64 8.587 23.862 44.914 1.00 0.00 C ATOM 965 CD1 PHE A 64 8.276 25.121 45.403 1.00 0.00 C ATOM 966 CD2 PHE A 64 9.783 23.260 45.265 1.00 0.00 C ATOM 967 CE1 PHE A 64 9.162 25.775 46.243 1.00 0.00 C ATOM 968 CE2 PHE A 64 10.668 23.913 46.104 1.00 0.00 C ATOM 969 CZ PHE A 64 10.358 25.171 46.593 1.00 0.00 C ATOM 0 H PHE A 64 6.979 20.929 45.250 1.00 0.00 H new ATOM 0 HA PHE A 64 5.922 23.692 45.186 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.093 22.225 43.645 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.452 23.767 43.115 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.343 25.592 45.129 1.00 0.00 H new ATOM 0 HD2 PHE A 64 10.026 22.279 44.883 1.00 0.00 H new ATOM 0 HE1 PHE A 64 8.920 26.756 46.625 1.00 0.00 H new ATOM 0 HE2 PHE A 64 11.600 23.442 46.378 1.00 0.00 H new ATOM 0 HZ PHE A 64 11.049 25.681 47.248 1.00 0.00 H new ATOM 979 N ASN A 65 4.584 23.430 43.053 1.00 0.00 N ATOM 980 CA ASN A 65 3.600 23.210 41.998 1.00 0.00 C ATOM 981 C ASN A 65 3.921 24.122 40.824 1.00 0.00 C ATOM 982 O ASN A 65 3.896 25.346 40.953 1.00 0.00 O ATOM 983 CB ASN A 65 2.185 23.486 42.510 1.00 0.00 C ATOM 984 CG ASN A 65 2.015 22.970 43.934 1.00 0.00 C ATOM 985 OD1 ASN A 65 1.371 21.945 44.161 1.00 0.00 O ATOM 986 ND2 ASN A 65 2.594 23.681 44.894 1.00 0.00 N ATOM 0 H ASN A 65 4.676 24.403 43.345 1.00 0.00 H new ATOM 0 HA ASN A 65 3.644 22.169 41.678 1.00 0.00 H new ATOM 0 HB2 ASN A 65 1.985 24.557 42.480 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.457 23.007 41.855 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.515 23.384 45.867 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.118 24.524 44.659 1.00 0.00 H new ATOM 993 N PHE A 66 4.251 23.524 39.686 1.00 0.00 N ATOM 994 CA PHE A 66 4.607 24.290 38.498 1.00 0.00 C ATOM 995 C PHE A 66 3.449 24.373 37.518 1.00 0.00 C ATOM 996 O PHE A 66 2.432 23.696 37.671 1.00 0.00 O ATOM 997 CB PHE A 66 5.796 23.644 37.803 1.00 0.00 C ATOM 998 CG PHE A 66 7.119 24.039 38.410 1.00 0.00 C ATOM 999 CD1 PHE A 66 7.685 25.266 38.105 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.769 23.174 39.276 1.00 0.00 C ATOM 1001 CE1 PHE A 66 8.899 25.628 38.666 1.00 0.00 C ATOM 1002 CE2 PHE A 66 8.983 23.536 39.837 1.00 0.00 C ATOM 1003 CZ PHE A 66 9.548 24.763 39.531 1.00 0.00 C ATOM 0 H PHE A 66 4.280 22.512 39.561 1.00 0.00 H new ATOM 0 HA PHE A 66 4.860 25.300 38.821 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.691 22.560 37.848 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.789 23.922 36.749 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.180 25.941 37.430 1.00 0.00 H new ATOM 0 HD2 PHE A 66 7.329 22.217 39.514 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.339 26.585 38.429 1.00 0.00 H new ATOM 0 HE2 PHE A 66 9.488 22.862 40.513 1.00 0.00 H new ATOM 0 HZ PHE A 66 10.495 25.045 39.967 1.00 0.00 H new ATOM 1013 N ARG A 67 3.629 25.205 36.498 1.00 0.00 N ATOM 1014 CA ARG A 67 2.625 25.390 35.461 1.00 0.00 C ATOM 1015 C ARG A 67 3.253 26.040 34.241 1.00 0.00 C ATOM 1016 O ARG A 67 3.187 27.256 34.067 1.00 0.00 O ATOM 1017 CB ARG A 67 1.483 26.249 35.981 1.00 0.00 C ATOM 1018 CG ARG A 67 0.300 25.374 36.358 1.00 0.00 C ATOM 1019 CD ARG A 67 -0.875 25.590 35.408 1.00 0.00 C ATOM 1020 NE ARG A 67 -2.116 25.740 36.162 1.00 0.00 N ATOM 1021 CZ ARG A 67 -3.286 25.908 35.554 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -3.584 27.070 34.991 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -4.161 24.912 35.510 1.00 0.00 N ATOM 0 H ARG A 67 4.471 25.767 36.368 1.00 0.00 H new ATOM 0 HA ARG A 67 2.228 24.415 35.178 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.813 26.820 36.848 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.184 26.970 35.220 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.599 24.326 36.337 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.009 25.597 37.379 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.701 26.478 34.800 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.957 24.746 34.723 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.084 25.715 37.181 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.915 27.839 35.023 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.483 27.195 34.525 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.936 24.016 35.943 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.059 25.042 35.043 1.00 0.00 H new ATOM 1037 N PHE A 68 3.873 25.223 33.400 1.00 0.00 N ATOM 1038 CA PHE A 68 4.523 25.726 32.201 1.00 0.00 C ATOM 1039 C PHE A 68 3.502 26.186 31.181 1.00 0.00 C ATOM 1040 O PHE A 68 2.309 25.903 31.294 1.00 0.00 O ATOM 1041 CB PHE A 68 5.408 24.653 31.582 1.00 0.00 C ATOM 1042 CG PHE A 68 4.725 23.311 31.486 1.00 0.00 C ATOM 1043 CD1 PHE A 68 3.677 23.130 30.598 1.00 0.00 C ATOM 1044 CD2 PHE A 68 5.143 22.259 32.285 1.00 0.00 C ATOM 1045 CE1 PHE A 68 3.049 21.899 30.508 1.00 0.00 C ATOM 1046 CE2 PHE A 68 4.515 21.027 32.194 1.00 0.00 C ATOM 1047 CZ PHE A 68 3.468 20.848 31.306 1.00 0.00 C ATOM 0 H PHE A 68 3.939 24.213 33.527 1.00 0.00 H new ATOM 0 HA PHE A 68 5.138 26.577 32.492 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.713 24.972 30.585 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.316 24.551 32.176 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.350 23.950 29.975 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.959 22.399 32.979 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.232 21.759 29.815 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.842 20.207 32.816 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.978 19.888 31.236 1.00 0.00 H new ATOM 1057 N LEU A 69 3.995 26.889 30.176 1.00 0.00 N ATOM 1058 CA LEU A 69 3.158 27.399 29.099 1.00 0.00 C ATOM 1059 C LEU A 69 3.890 27.213 27.782 1.00 0.00 C ATOM 1060 O LEU A 69 4.114 28.178 27.052 1.00 0.00 O ATOM 1061 CB LEU A 69 2.843 28.883 29.309 1.00 0.00 C ATOM 1062 CG LEU A 69 2.715 29.240 30.789 1.00 0.00 C ATOM 1063 CD1 LEU A 69 2.716 30.754 30.974 1.00 0.00 C ATOM 1064 CD2 LEU A 69 1.447 28.634 31.381 1.00 0.00 C ATOM 0 H LEU A 69 4.983 27.123 30.082 1.00 0.00 H new ATOM 0 HA LEU A 69 2.216 26.850 29.089 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.630 29.487 28.858 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.915 29.132 28.795 1.00 0.00 H new ATOM 0 HG LEU A 69 3.573 28.825 31.317 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.624 30.991 32.034 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.649 31.167 30.589 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.876 31.187 30.431 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.375 28.900 32.436 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.577 29.019 30.849 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.482 27.549 31.282 1.00 0.00 H new ATOM 1076 N THR A 70 4.278 25.958 27.509 1.00 0.00 N ATOM 1077 CA THR A 70 5.022 25.573 26.297 1.00 0.00 C ATOM 1078 C THR A 70 4.822 26.554 25.146 1.00 0.00 C ATOM 1079 O THR A 70 3.703 26.984 24.866 1.00 0.00 O ATOM 1080 CB THR A 70 4.600 24.175 25.856 1.00 0.00 C ATOM 1081 OG1 THR A 70 3.184 24.069 25.865 1.00 0.00 O ATOM 1082 CG2 THR A 70 5.211 23.114 26.766 1.00 0.00 C ATOM 0 H THR A 70 4.083 25.172 28.129 1.00 0.00 H new ATOM 0 HA THR A 70 6.081 25.587 26.553 1.00 0.00 H new ATOM 0 HB THR A 70 4.964 24.009 24.842 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.791 24.915 25.566 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.897 22.125 26.433 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.298 23.182 26.726 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.875 23.276 27.790 1.00 0.00 H new ATOM 1090 N GLU A 71 5.922 26.906 24.491 1.00 0.00 N ATOM 1091 CA GLU A 71 5.890 27.841 23.373 1.00 0.00 C ATOM 1092 C GLU A 71 4.803 27.452 22.376 1.00 0.00 C ATOM 1093 O GLU A 71 4.277 28.300 21.655 1.00 0.00 O ATOM 1094 CB GLU A 71 7.252 27.868 22.685 1.00 0.00 C ATOM 1095 CG GLU A 71 8.386 28.012 23.700 1.00 0.00 C ATOM 1096 CD GLU A 71 9.368 29.081 23.241 1.00 0.00 C ATOM 1097 OE1 GLU A 71 9.801 29.029 22.071 1.00 0.00 O ATOM 1098 OE2 GLU A 71 9.704 29.969 24.053 1.00 0.00 O ATOM 0 H GLU A 71 6.853 26.555 24.717 1.00 0.00 H new ATOM 0 HA GLU A 71 5.662 28.836 23.755 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.390 26.952 22.111 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.288 28.696 21.977 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.979 28.276 24.676 1.00 0.00 H new ATOM 0 HG3 GLU A 71 8.902 27.059 23.817 1.00 0.00 H new ATOM 1105 N LYS A 72 4.467 26.166 22.343 1.00 0.00 N ATOM 1106 CA LYS A 72 3.437 25.663 21.439 1.00 0.00 C ATOM 1107 C LYS A 72 2.881 24.340 21.954 1.00 0.00 C ATOM 1108 O LYS A 72 3.019 23.303 21.306 1.00 0.00 O ATOM 1109 CB LYS A 72 4.016 25.477 20.039 1.00 0.00 C ATOM 1110 CG LYS A 72 3.038 25.957 18.968 1.00 0.00 C ATOM 1111 CD LYS A 72 2.135 24.822 18.494 1.00 0.00 C ATOM 1112 CE LYS A 72 1.864 24.920 16.995 1.00 0.00 C ATOM 1113 NZ LYS A 72 1.365 23.626 16.450 1.00 0.00 N ATOM 0 H LYS A 72 4.894 25.452 22.933 1.00 0.00 H new ATOM 0 HA LYS A 72 2.626 26.390 21.394 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.952 26.029 19.954 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.250 24.425 19.876 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.428 26.768 19.366 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.592 26.362 18.121 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.603 23.864 18.720 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.192 24.853 19.039 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.130 25.704 16.806 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.778 25.207 16.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.190 23.724 15.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.077 22.885 16.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.480 23.365 16.930 1.00 0.00 H new ATOM 1127 N GLY A 73 2.252 24.384 23.125 1.00 0.00 N ATOM 1128 CA GLY A 73 1.673 23.189 23.732 1.00 0.00 C ATOM 1129 C GLY A 73 0.484 23.550 24.613 1.00 0.00 C ATOM 1130 O GLY A 73 -0.603 23.841 24.115 1.00 0.00 O ATOM 0 H GLY A 73 2.130 25.235 23.673 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.356 22.497 22.952 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.429 22.675 24.326 1.00 0.00 H new ATOM 1134 N MET A 74 0.695 23.530 25.926 1.00 0.00 N ATOM 1135 CA MET A 74 -0.363 23.856 26.877 1.00 0.00 C ATOM 1136 C MET A 74 0.208 24.012 28.279 1.00 0.00 C ATOM 1137 O MET A 74 1.421 23.955 28.479 1.00 0.00 O ATOM 1138 CB MET A 74 -1.425 22.760 26.870 1.00 0.00 C ATOM 1139 CG MET A 74 -0.862 21.439 27.388 1.00 0.00 C ATOM 1140 SD MET A 74 -0.961 20.123 26.163 1.00 0.00 S ATOM 1141 CE MET A 74 -2.722 19.755 26.202 1.00 0.00 C ATOM 0 H MET A 74 1.589 23.292 26.356 1.00 0.00 H new ATOM 0 HA MET A 74 -0.818 24.800 26.579 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.270 23.065 27.488 1.00 0.00 H new ATOM 0 HB3 MET A 74 -1.804 22.624 25.857 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.178 21.581 27.682 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.408 21.140 28.283 1.00 0.00 H new ATOM 0 HE1 MET A 74 -2.943 18.956 25.494 1.00 0.00 H new ATOM 0 HE2 MET A 74 -3.005 19.438 27.206 1.00 0.00 H new ATOM 0 HE3 MET A 74 -3.286 20.647 25.930 1.00 0.00 H new ATOM 1151 N LYS A 75 -0.678 24.207 29.249 1.00 0.00 N ATOM 1152 CA LYS A 75 -0.273 24.372 30.641 1.00 0.00 C ATOM 1153 C LYS A 75 -0.971 23.341 31.518 1.00 0.00 C ATOM 1154 O LYS A 75 -1.852 22.616 31.055 1.00 0.00 O ATOM 1155 CB LYS A 75 -0.610 25.781 31.121 1.00 0.00 C ATOM 1156 CG LYS A 75 -2.082 26.118 30.887 1.00 0.00 C ATOM 1157 CD LYS A 75 -2.983 25.418 31.900 1.00 0.00 C ATOM 1158 CE LYS A 75 -4.269 26.206 32.133 1.00 0.00 C ATOM 1159 NZ LYS A 75 -5.164 26.151 30.942 1.00 0.00 N ATOM 0 H LYS A 75 -1.685 24.255 29.097 1.00 0.00 H new ATOM 0 HA LYS A 75 0.804 24.222 30.713 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.380 25.869 32.183 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.017 26.504 30.599 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.225 27.196 30.955 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.368 25.822 29.878 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.226 24.417 31.543 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.450 25.299 32.843 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.791 25.804 33.001 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.025 27.244 32.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.029 26.696 31.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.673 26.557 30.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.415 25.162 30.742 1.00 0.00 H new ATOM 1173 N ASN A 76 -0.575 23.275 32.786 1.00 0.00 N ATOM 1174 CA ASN A 76 -1.172 22.323 33.720 1.00 0.00 C ATOM 1175 C ASN A 76 -0.473 22.377 35.074 1.00 0.00 C ATOM 1176 O ASN A 76 0.750 22.497 35.147 1.00 0.00 O ATOM 1177 CB ASN A 76 -1.076 20.913 33.146 1.00 0.00 C ATOM 1178 CG ASN A 76 -2.411 20.193 33.289 1.00 0.00 C ATOM 1179 OD1 ASN A 76 -2.667 19.535 34.297 1.00 0.00 O ATOM 1180 ND2 ASN A 76 -3.263 20.318 32.278 1.00 0.00 N ATOM 0 H ASN A 76 0.152 23.865 33.189 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.219 22.590 33.864 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.791 20.959 32.095 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.296 20.354 33.664 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.173 19.858 32.318 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -3.008 20.874 31.462 1.00 0.00 H new ATOM 1187 N VAL A 77 -1.259 22.279 36.144 1.00 0.00 N ATOM 1188 CA VAL A 77 -0.716 22.307 37.500 1.00 0.00 C ATOM 1189 C VAL A 77 -0.144 20.946 37.860 1.00 0.00 C ATOM 1190 O VAL A 77 -0.650 19.908 37.435 1.00 0.00 O ATOM 1191 CB VAL A 77 -1.797 22.723 38.501 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -3.068 21.926 38.282 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -1.314 22.556 39.943 1.00 0.00 C ATOM 0 H VAL A 77 -2.273 22.180 36.098 1.00 0.00 H new ATOM 0 HA VAL A 77 0.087 23.043 37.543 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.011 23.779 38.333 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.822 22.238 39.004 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.438 22.102 37.272 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.859 20.864 38.412 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.105 22.860 40.629 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.059 21.512 40.123 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.434 23.178 40.106 1.00 0.00 H new ATOM 1203 N PHE A 78 0.925 20.972 38.638 1.00 0.00 N ATOM 1204 CA PHE A 78 1.602 19.765 39.065 1.00 0.00 C ATOM 1205 C PHE A 78 1.725 19.745 40.582 1.00 0.00 C ATOM 1206 O PHE A 78 1.917 20.785 41.212 1.00 0.00 O ATOM 1207 CB PHE A 78 2.978 19.723 38.420 1.00 0.00 C ATOM 1208 CG PHE A 78 2.908 19.617 36.917 1.00 0.00 C ATOM 1209 CD1 PHE A 78 2.782 18.378 36.312 1.00 0.00 C ATOM 1210 CD2 PHE A 78 2.961 20.763 36.140 1.00 0.00 C ATOM 1211 CE1 PHE A 78 2.710 18.284 34.934 1.00 0.00 C ATOM 1212 CE2 PHE A 78 2.888 20.669 34.761 1.00 0.00 C ATOM 1213 CZ PHE A 78 2.762 19.429 34.158 1.00 0.00 C ATOM 0 H PHE A 78 1.346 21.832 38.990 1.00 0.00 H new ATOM 0 HA PHE A 78 1.029 18.890 38.758 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.531 20.622 38.692 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.535 18.874 38.815 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.740 17.484 36.917 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.059 21.730 36.611 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.613 17.317 34.463 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.929 21.562 34.156 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.704 19.355 33.082 1.00 0.00 H new ATOM 1223 N ASP A 79 1.605 18.560 41.168 1.00 0.00 N ATOM 1224 CA ASP A 79 1.696 18.413 42.617 1.00 0.00 C ATOM 1225 C ASP A 79 2.818 17.455 42.994 1.00 0.00 C ATOM 1226 O ASP A 79 3.210 16.597 42.202 1.00 0.00 O ATOM 1227 CB ASP A 79 0.370 17.900 43.170 1.00 0.00 C ATOM 1228 CG ASP A 79 0.437 17.798 44.688 1.00 0.00 C ATOM 1229 OD1 ASP A 79 1.175 18.594 45.306 1.00 0.00 O ATOM 1230 OD2 ASP A 79 -0.247 16.921 45.257 1.00 0.00 O ATOM 0 H ASP A 79 1.445 17.688 40.664 1.00 0.00 H new ATOM 0 HA ASP A 79 1.916 19.389 43.049 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.438 18.571 42.879 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.143 16.923 42.742 1.00 0.00 H new ATOM 1235 N ASP A 80 3.329 17.606 44.213 1.00 0.00 N ATOM 1236 CA ASP A 80 4.407 16.755 44.712 1.00 0.00 C ATOM 1237 C ASP A 80 5.535 16.663 43.692 1.00 0.00 C ATOM 1238 O ASP A 80 5.979 15.569 43.341 1.00 0.00 O ATOM 1239 CB ASP A 80 3.868 15.361 45.020 1.00 0.00 C ATOM 1240 CG ASP A 80 4.500 14.820 46.296 1.00 0.00 C ATOM 1241 OD1 ASP A 80 5.563 15.337 46.699 1.00 0.00 O ATOM 1242 OD2 ASP A 80 3.932 13.880 46.890 1.00 0.00 O ATOM 0 H ASP A 80 3.012 18.313 44.877 1.00 0.00 H new ATOM 0 HA ASP A 80 4.803 17.197 45.626 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.784 15.399 45.131 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.080 14.690 44.188 1.00 0.00 H new ATOM 1247 N VAL A 81 5.999 17.816 43.221 1.00 0.00 N ATOM 1248 CA VAL A 81 7.081 17.866 42.243 1.00 0.00 C ATOM 1249 C VAL A 81 8.441 17.880 42.944 1.00 0.00 C ATOM 1250 O VAL A 81 9.467 17.615 42.320 1.00 0.00 O ATOM 1251 CB VAL A 81 6.917 19.100 41.350 1.00 0.00 C ATOM 1252 CG1 VAL A 81 8.132 19.298 40.445 1.00 0.00 C ATOM 1253 CG2 VAL A 81 5.653 18.976 40.504 1.00 0.00 C ATOM 0 H VAL A 81 5.642 18.730 43.501 1.00 0.00 H new ATOM 0 HA VAL A 81 7.035 16.973 41.619 1.00 0.00 H new ATOM 0 HB VAL A 81 6.832 19.972 41.999 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.983 20.182 39.825 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.024 19.430 41.057 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.257 18.423 39.807 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.549 19.859 39.874 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.722 18.088 39.875 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.785 18.892 41.157 1.00 0.00 H new ATOM 1263 N VAL A 82 8.446 18.185 44.241 1.00 0.00 N ATOM 1264 CA VAL A 82 9.685 18.221 45.010 1.00 0.00 C ATOM 1265 C VAL A 82 9.424 17.822 46.460 1.00 0.00 C ATOM 1266 O VAL A 82 8.484 18.313 47.084 1.00 0.00 O ATOM 1267 CB VAL A 82 10.292 19.621 44.966 1.00 0.00 C ATOM 1268 CG1 VAL A 82 11.595 19.667 45.763 1.00 0.00 C ATOM 1269 CG2 VAL A 82 10.532 20.058 43.524 1.00 0.00 C ATOM 0 H VAL A 82 7.608 18.410 44.778 1.00 0.00 H new ATOM 0 HA VAL A 82 10.385 17.512 44.567 1.00 0.00 H new ATOM 0 HB VAL A 82 9.585 20.314 45.422 1.00 0.00 H new ATOM 0 HG11 VAL A 82 12.013 20.673 45.720 1.00 0.00 H new ATOM 0 HG12 VAL A 82 11.396 19.401 46.801 1.00 0.00 H new ATOM 0 HG13 VAL A 82 12.307 18.960 45.337 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.965 21.058 43.514 1.00 0.00 H new ATOM 0 HG22 VAL A 82 11.218 19.361 43.042 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.585 20.067 42.984 1.00 0.00 H new ATOM 1279 N PRO A 83 10.261 16.931 47.019 1.00 0.00 N ATOM 1280 CA PRO A 83 10.122 16.474 48.414 1.00 0.00 C ATOM 1281 C PRO A 83 10.433 17.584 49.412 1.00 0.00 C ATOM 1282 O PRO A 83 10.508 18.757 49.045 1.00 0.00 O ATOM 1283 CB PRO A 83 11.146 15.352 48.534 1.00 0.00 C ATOM 1284 CG PRO A 83 12.163 15.653 47.485 1.00 0.00 C ATOM 1285 CD PRO A 83 11.416 16.301 46.353 1.00 0.00 C ATOM 0 HA PRO A 83 9.103 16.157 48.637 1.00 0.00 H new ATOM 0 HB2 PRO A 83 11.596 15.331 49.527 1.00 0.00 H new ATOM 0 HB3 PRO A 83 10.686 14.377 48.371 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.937 16.316 47.871 1.00 0.00 H new ATOM 0 HG3 PRO A 83 12.661 14.742 47.152 1.00 0.00 H new ATOM 0 HD2 PRO A 83 12.031 17.037 45.835 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.101 15.569 45.609 1.00 0.00 H new ATOM 1293 N GLU A 84 10.623 17.206 50.673 1.00 0.00 N ATOM 1294 CA GLU A 84 10.938 18.171 51.722 1.00 0.00 C ATOM 1295 C GLU A 84 12.419 18.524 51.676 1.00 0.00 C ATOM 1296 O GLU A 84 12.800 19.674 51.892 1.00 0.00 O ATOM 1297 CB GLU A 84 10.584 17.593 53.089 1.00 0.00 C ATOM 1298 CG GLU A 84 10.662 18.660 54.177 1.00 0.00 C ATOM 1299 CD GLU A 84 11.688 18.264 55.232 1.00 0.00 C ATOM 1300 OE1 GLU A 84 11.905 17.050 55.424 1.00 0.00 O ATOM 1301 OE2 GLU A 84 12.272 19.170 55.863 1.00 0.00 O ATOM 0 H GLU A 84 10.564 16.239 50.993 1.00 0.00 H new ATOM 0 HA GLU A 84 10.351 19.075 51.557 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.579 17.173 53.060 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.264 16.776 53.328 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.934 19.619 53.737 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.684 18.789 54.641 1.00 0.00 H new ATOM 1308 N LYS A 85 13.249 17.526 51.389 1.00 0.00 N ATOM 1309 CA LYS A 85 14.692 17.725 51.308 1.00 0.00 C ATOM 1310 C LYS A 85 15.214 17.250 49.958 1.00 0.00 C ATOM 1311 O LYS A 85 15.952 16.269 49.876 1.00 0.00 O ATOM 1312 CB LYS A 85 15.388 16.962 52.432 1.00 0.00 C ATOM 1313 CG LYS A 85 16.668 17.668 52.869 1.00 0.00 C ATOM 1314 CD LYS A 85 17.651 16.689 53.505 1.00 0.00 C ATOM 1315 CE LYS A 85 18.937 16.588 52.690 1.00 0.00 C ATOM 1316 NZ LYS A 85 20.137 16.820 53.543 1.00 0.00 N ATOM 0 H LYS A 85 12.946 16.569 51.208 1.00 0.00 H new ATOM 0 HA LYS A 85 14.906 18.789 51.414 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.713 16.867 53.283 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.623 15.951 52.098 1.00 0.00 H new ATOM 0 HG2 LYS A 85 17.134 18.147 52.008 1.00 0.00 H new ATOM 0 HG3 LYS A 85 16.426 18.457 53.580 1.00 0.00 H new ATOM 0 HD2 LYS A 85 17.885 17.012 54.519 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.189 15.705 53.583 1.00 0.00 H new ATOM 0 HE2 LYS A 85 19.001 15.603 52.228 1.00 0.00 H new ATOM 0 HE3 LYS A 85 18.916 17.318 51.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 20.996 16.745 52.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 20.085 17.770 53.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 20.168 16.107 54.300 1.00 0.00 H new ATOM 1330 N TYR A 86 14.820 17.951 48.899 1.00 0.00 N ATOM 1331 CA TYR A 86 15.242 17.602 47.545 1.00 0.00 C ATOM 1332 C TYR A 86 16.761 17.553 47.452 1.00 0.00 C ATOM 1333 O TYR A 86 17.464 18.066 48.323 1.00 0.00 O ATOM 1334 CB TYR A 86 14.695 18.624 46.552 1.00 0.00 C ATOM 1335 CG TYR A 86 15.075 20.041 46.900 1.00 0.00 C ATOM 1336 CD1 TYR A 86 16.323 20.530 46.552 1.00 0.00 C ATOM 1337 CD2 TYR A 86 14.177 20.856 47.568 1.00 0.00 C ATOM 1338 CE1 TYR A 86 16.671 21.831 46.873 1.00 0.00 C ATOM 1339 CE2 TYR A 86 14.528 22.157 47.888 1.00 0.00 C ATOM 1340 CZ TYR A 86 15.773 22.638 47.539 1.00 0.00 C ATOM 1341 OH TYR A 86 16.121 23.931 47.858 1.00 0.00 O ATOM 0 H TYR A 86 14.208 18.765 48.952 1.00 0.00 H new ATOM 0 HA TYR A 86 14.848 16.615 47.302 1.00 0.00 H new ATOM 0 HB2 TYR A 86 15.066 18.388 45.554 1.00 0.00 H new ATOM 0 HB3 TYR A 86 13.609 18.543 46.516 1.00 0.00 H new ATOM 0 HD1 TYR A 86 17.025 19.896 46.030 1.00 0.00 H new ATOM 0 HD2 TYR A 86 13.203 20.477 47.840 1.00 0.00 H new ATOM 0 HE1 TYR A 86 17.644 22.213 46.602 1.00 0.00 H new ATOM 0 HE2 TYR A 86 13.829 22.794 48.410 1.00 0.00 H new ATOM 0 HH TYR A 86 15.376 24.365 48.324 1.00 0.00 H new ATOM 1351 N THR A 87 17.262 16.934 46.388 1.00 0.00 N ATOM 1352 CA THR A 87 18.700 16.815 46.171 1.00 0.00 C ATOM 1353 C THR A 87 19.048 17.180 44.734 1.00 0.00 C ATOM 1354 O THR A 87 18.673 16.475 43.797 1.00 0.00 O ATOM 1355 CB THR A 87 19.157 15.390 46.472 1.00 0.00 C ATOM 1356 OG1 THR A 87 18.573 14.938 47.684 1.00 0.00 O ATOM 1357 CG2 THR A 87 20.679 15.318 46.566 1.00 0.00 C ATOM 0 H THR A 87 16.691 16.505 45.660 1.00 0.00 H new ATOM 0 HA THR A 87 19.214 17.503 46.842 1.00 0.00 H new ATOM 0 HB THR A 87 18.832 14.745 45.656 1.00 0.00 H new ATOM 0 HG1 THR A 87 18.870 14.023 47.869 1.00 0.00 H new ATOM 0 HG21 THR A 87 20.982 14.293 46.781 1.00 0.00 H new ATOM 0 HG22 THR A 87 21.117 15.635 45.620 1.00 0.00 H new ATOM 0 HG23 THR A 87 21.026 15.974 47.364 1.00 0.00 H new ATOM 1365 N ILE A 88 19.764 18.287 44.566 1.00 0.00 N ATOM 1366 CA ILE A 88 20.163 18.750 43.240 1.00 0.00 C ATOM 1367 C ILE A 88 20.819 17.620 42.455 1.00 0.00 C ATOM 1368 O ILE A 88 21.876 17.118 42.836 1.00 0.00 O ATOM 1369 CB ILE A 88 21.128 19.926 43.369 1.00 0.00 C ATOM 1370 CG1 ILE A 88 20.466 21.075 44.125 1.00 0.00 C ATOM 1371 CG2 ILE A 88 21.598 20.395 41.996 1.00 0.00 C ATOM 1372 CD1 ILE A 88 21.148 21.321 45.468 1.00 0.00 C ATOM 0 H ILE A 88 20.081 18.881 45.332 1.00 0.00 H new ATOM 0 HA ILE A 88 19.273 19.075 42.701 1.00 0.00 H new ATOM 0 HB ILE A 88 22.000 19.592 43.932 1.00 0.00 H new ATOM 0 HG12 ILE A 88 20.508 21.982 43.522 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.412 20.848 44.286 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.285 21.233 42.113 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.108 19.577 41.487 1.00 0.00 H new ATOM 0 HG23 ILE A 88 20.738 20.710 41.405 1.00 0.00 H new ATOM 0 HD11 ILE A 88 20.653 22.145 45.982 1.00 0.00 H new ATOM 0 HD12 ILE A 88 21.083 20.421 46.079 1.00 0.00 H new ATOM 0 HD13 ILE A 88 22.196 21.573 45.303 1.00 0.00 H new ATOM 1384 N GLY A 89 20.183 17.224 41.357 1.00 0.00 N ATOM 1385 CA GLY A 89 20.701 16.152 40.514 1.00 0.00 C ATOM 1386 C GLY A 89 19.756 14.957 40.522 1.00 0.00 C ATOM 1387 O GLY A 89 20.190 13.811 40.635 1.00 0.00 O ATOM 0 H GLY A 89 19.306 17.630 41.030 1.00 0.00 H new ATOM 0 HA2 GLY A 89 20.829 16.514 39.494 1.00 0.00 H new ATOM 0 HA3 GLY A 89 21.685 15.846 40.869 1.00 0.00 H new ATOM 1391 N ALA A 90 18.461 15.233 40.401 1.00 0.00 N ATOM 1392 CA ALA A 90 17.451 14.180 40.395 1.00 0.00 C ATOM 1393 C ALA A 90 16.133 14.707 39.841 1.00 0.00 C ATOM 1394 O ALA A 90 15.742 15.841 40.116 1.00 0.00 O ATOM 1395 CB ALA A 90 17.243 13.651 41.811 1.00 0.00 C ATOM 0 H ALA A 90 18.086 16.177 40.306 1.00 0.00 H new ATOM 0 HA ALA A 90 17.799 13.369 39.755 1.00 0.00 H new ATOM 0 HB1 ALA A 90 16.488 12.865 41.799 1.00 0.00 H new ATOM 0 HB2 ALA A 90 18.182 13.246 42.190 1.00 0.00 H new ATOM 0 HB3 ALA A 90 16.911 14.463 42.458 1.00 0.00 H new ATOM 1401 N THR A 91 15.452 13.874 39.061 1.00 0.00 N ATOM 1402 CA THR A 91 14.174 14.250 38.466 1.00 0.00 C ATOM 1403 C THR A 91 13.028 13.861 39.392 1.00 0.00 C ATOM 1404 O THR A 91 12.765 12.677 39.602 1.00 0.00 O ATOM 1405 CB THR A 91 14.009 13.560 37.115 1.00 0.00 C ATOM 1406 OG1 THR A 91 15.181 13.734 36.334 1.00 0.00 O ATOM 1407 CG2 THR A 91 12.797 14.109 36.370 1.00 0.00 C ATOM 0 H THR A 91 15.764 12.932 38.826 1.00 0.00 H new ATOM 0 HA THR A 91 14.156 15.330 38.320 1.00 0.00 H new ATOM 0 HB THR A 91 13.851 12.496 37.290 1.00 0.00 H new ATOM 0 HG1 THR A 91 15.067 13.287 35.469 1.00 0.00 H new ATOM 0 HG21 THR A 91 12.700 13.602 35.410 1.00 0.00 H new ATOM 0 HG22 THR A 91 11.898 13.939 36.963 1.00 0.00 H new ATOM 0 HG23 THR A 91 12.926 15.179 36.204 1.00 0.00 H new ATOM 1415 N TYR A 92 12.350 14.861 39.947 1.00 0.00 N ATOM 1416 CA TYR A 92 11.235 14.616 40.853 1.00 0.00 C ATOM 1417 C TYR A 92 9.907 14.638 40.089 1.00 0.00 C ATOM 1418 O TYR A 92 9.543 13.645 39.459 1.00 0.00 O ATOM 1419 CB TYR A 92 11.245 15.649 41.979 1.00 0.00 C ATOM 1420 CG TYR A 92 12.416 15.484 42.914 1.00 0.00 C ATOM 1421 CD1 TYR A 92 12.453 14.420 43.799 1.00 0.00 C ATOM 1422 CD2 TYR A 92 13.457 16.396 42.888 1.00 0.00 C ATOM 1423 CE1 TYR A 92 13.530 14.269 44.657 1.00 0.00 C ATOM 1424 CE2 TYR A 92 14.533 16.244 43.746 1.00 0.00 C ATOM 1425 CZ TYR A 92 14.565 15.182 44.626 1.00 0.00 C ATOM 1426 OH TYR A 92 15.634 15.031 45.478 1.00 0.00 O ATOM 0 H TYR A 92 12.554 15.847 39.785 1.00 0.00 H new ATOM 0 HA TYR A 92 11.345 13.626 41.295 1.00 0.00 H new ATOM 0 HB2 TYR A 92 11.269 16.650 41.547 1.00 0.00 H new ATOM 0 HB3 TYR A 92 10.318 15.569 42.547 1.00 0.00 H new ATOM 0 HD1 TYR A 92 11.642 13.707 43.820 1.00 0.00 H new ATOM 0 HD2 TYR A 92 13.430 17.227 42.198 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.560 13.440 45.348 1.00 0.00 H new ATOM 0 HE2 TYR A 92 15.345 16.955 43.726 1.00 0.00 H new ATOM 0 HH TYR A 92 16.428 14.773 44.964 1.00 0.00 H new ATOM 1436 N ALA A 93 9.185 15.762 40.134 1.00 0.00 N ATOM 1437 CA ALA A 93 7.907 15.877 39.437 1.00 0.00 C ATOM 1438 C ALA A 93 7.003 14.694 39.776 1.00 0.00 C ATOM 1439 O ALA A 93 7.390 13.804 40.533 1.00 0.00 O ATOM 1440 CB ALA A 93 8.139 15.943 37.932 1.00 0.00 C ATOM 0 H ALA A 93 9.465 16.600 40.644 1.00 0.00 H new ATOM 0 HA ALA A 93 7.415 16.793 39.763 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.181 16.029 37.420 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.755 16.811 37.697 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.647 15.037 37.602 1.00 0.00 H new ATOM 1446 N PRO A 94 5.780 14.671 39.220 1.00 0.00 N ATOM 1447 CA PRO A 94 4.821 13.588 39.470 1.00 0.00 C ATOM 1448 C PRO A 94 5.143 12.339 38.656 1.00 0.00 C ATOM 1449 O PRO A 94 5.687 12.480 37.540 1.00 0.00 O ATOM 1450 CB PRO A 94 3.483 14.177 39.048 1.00 0.00 C ATOM 1451 CG PRO A 94 3.808 15.247 38.054 1.00 0.00 C ATOM 1452 CD PRO A 94 5.231 15.692 38.312 1.00 0.00 C ATOM 0 HA PRO A 94 4.837 13.264 40.510 1.00 0.00 H new ATOM 0 HB2 PRO A 94 2.841 13.414 38.607 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.948 14.587 39.904 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.703 14.870 37.037 1.00 0.00 H new ATOM 0 HG3 PRO A 94 3.120 16.086 38.155 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.803 15.748 37.386 1.00 0.00 H new ATOM 0 HD3 PRO A 94 5.261 16.683 38.765 1.00 0.00 H new TER 1460 PRO A 94