USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 893 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 40 HIS :FLIP no HD1:sc= -0.0529 F(o=-0.95,f=0.03) USER MOD Set 1.2: A 74 SER OG : rot 118:sc= 0.0827 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 146:sc= -0.404 (180deg=-2.09!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.334 X(o=-0.33,f=-0.24) USER MOD Single : A 19 LYS NZ :NH3+ 132:sc= 0.198 (180deg=-0.104) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.509 F(o=-2.9!,f=-0.51) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.00746 USER MOD Single : A 37 LYS NZ :NH3+ 139:sc= -11.6! (180deg=-17.7!) USER MOD Single : A 41 TYR OH : rot 180:sc= -0.21 USER MOD Single : A 45 CYS SG : rot 57:sc= -1.25! USER MOD Single : A 47 GLN : amide:sc= -0.352 K(o=-0.35,f=-1.5) USER MOD Single : A 57 LYS NZ :NH3+ 170:sc= -0.0362 (180deg=-0.127) USER MOD Single : A 62 ASN :FLIP amide:sc= -1.05 F(o=-9!,f=-1) USER MOD Single : A 66 LYS NZ :NH3+ -155:sc= -2.62 (180deg=-3.81!) USER MOD Single : A 67 HIS : no HD1:sc= 0.511! C(o=0.51!,f=-8.4!) USER MOD Single : A 68 HIS : no HD1:sc= -2.09! C(o=-2.1!,f=-3.6!) USER MOD Single : A 70 THR OG1 : rot 124:sc= -3.39! USER MOD Single : A 77 TYR OH : rot -130:sc= -0.373 USER MOD Single : A 80 HIS : no HD1:sc= -0.176 K(o=-0.18,f=-2.9!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot -170:sc= -3.52 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 159:sc= -2.93! (180deg=-3.95!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.699 USER MOD Single : A 97 LYS NZ :NH3+ 161:sc= -0.592 (180deg=-1.78) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.466! USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.53! USER MOD Single : A 110 ASN :FLIP amide:sc= -15.6! C(o=-21!,f=-16!) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 147:sc= -5.68! (180deg=-8.45!) USER MOD Single : A 118 GLN : amide:sc= -2.76! C(o=-2.8!,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -6.644 -8.580 86.002 1.00 0.00 N ATOM 44 CA LYS A 4 -6.619 -8.121 87.419 1.00 0.00 C ATOM 45 C LYS A 4 -6.062 -9.229 88.312 1.00 0.00 C ATOM 46 O LYS A 4 -4.961 -9.140 88.818 1.00 0.00 O ATOM 47 CB LYS A 4 -8.049 -7.778 87.841 1.00 0.00 C ATOM 48 CG LYS A 4 -8.715 -6.948 86.736 1.00 0.00 C ATOM 49 CD LYS A 4 -9.961 -6.247 87.284 1.00 0.00 C ATOM 50 CE LYS A 4 -11.006 -7.291 87.691 1.00 0.00 C ATOM 51 NZ LYS A 4 -12.331 -6.630 87.877 1.00 0.00 N ATOM 0 HA LYS A 4 -5.981 -7.242 87.518 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.617 -8.691 88.019 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.041 -7.220 88.777 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.012 -6.209 86.351 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.989 -7.593 85.901 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.695 -5.631 88.143 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.376 -5.579 86.529 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.079 -8.064 86.926 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.702 -7.784 88.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.038 -7.341 88.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.257 -5.908 88.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.623 -6.180 86.986 1.00 0.00 H new ATOM 65 N GLU A 5 -6.810 -10.277 88.512 1.00 0.00 N ATOM 66 CA GLU A 5 -6.315 -11.386 89.372 1.00 0.00 C ATOM 67 C GLU A 5 -4.910 -11.796 88.913 1.00 0.00 C ATOM 68 O GLU A 5 -4.088 -12.212 89.704 1.00 0.00 O ATOM 69 CB GLU A 5 -7.287 -12.584 89.255 1.00 0.00 C ATOM 70 CG GLU A 5 -8.172 -12.674 90.503 1.00 0.00 C ATOM 71 CD GLU A 5 -9.336 -13.626 90.229 1.00 0.00 C ATOM 72 OE1 GLU A 5 -9.149 -14.822 90.391 1.00 0.00 O ATOM 73 OE2 GLU A 5 -10.388 -13.145 89.848 1.00 0.00 O ATOM 0 H GLU A 5 -7.741 -10.413 88.118 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.266 -11.063 90.412 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.909 -12.471 88.367 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.723 -13.509 89.133 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.588 -13.030 91.352 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.549 -11.686 90.767 1.00 0.00 H new ATOM 80 N PHE A 6 -4.631 -11.692 87.645 1.00 0.00 N ATOM 81 CA PHE A 6 -3.283 -12.090 87.163 1.00 0.00 C ATOM 82 C PHE A 6 -2.231 -11.125 87.711 1.00 0.00 C ATOM 83 O PHE A 6 -1.389 -11.503 88.497 1.00 0.00 O ATOM 84 CB PHE A 6 -3.239 -12.076 85.637 1.00 0.00 C ATOM 85 CG PHE A 6 -1.847 -12.450 85.189 1.00 0.00 C ATOM 86 CD1 PHE A 6 -1.350 -13.723 85.472 1.00 0.00 C ATOM 87 CD2 PHE A 6 -1.052 -11.524 84.507 1.00 0.00 C ATOM 88 CE1 PHE A 6 -0.064 -14.080 85.073 1.00 0.00 C ATOM 89 CE2 PHE A 6 0.237 -11.877 84.107 1.00 0.00 C ATOM 90 CZ PHE A 6 0.733 -13.159 84.390 1.00 0.00 C ATOM 0 H PHE A 6 -5.272 -11.352 86.928 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.071 -13.100 87.515 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -3.968 -12.778 85.232 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.504 -11.088 85.260 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.965 -14.435 86.003 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.435 -10.538 84.290 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.316 -15.067 85.291 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.853 -11.164 83.580 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.731 -13.433 84.080 1.00 0.00 H new ATOM 100 N MET A 7 -2.266 -9.884 87.302 1.00 0.00 N ATOM 101 CA MET A 7 -1.259 -8.909 87.811 1.00 0.00 C ATOM 102 C MET A 7 -1.348 -8.852 89.337 1.00 0.00 C ATOM 103 O MET A 7 -0.354 -8.865 90.034 1.00 0.00 O ATOM 104 CB MET A 7 -1.535 -7.517 87.197 1.00 0.00 C ATOM 105 CG MET A 7 -2.576 -6.730 88.025 1.00 0.00 C ATOM 106 SD MET A 7 -2.996 -5.188 87.179 1.00 0.00 S ATOM 107 CE MET A 7 -3.755 -5.925 85.717 1.00 0.00 C ATOM 0 H MET A 7 -2.945 -9.506 86.641 1.00 0.00 H new ATOM 0 HA MET A 7 -0.255 -9.221 87.526 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.606 -6.950 87.145 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.894 -7.634 86.175 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.473 -7.333 88.166 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.177 -6.514 89.016 1.00 0.00 H new ATOM 0 HE1 MET A 7 -4.572 -5.291 85.373 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.009 -6.017 84.927 1.00 0.00 H new ATOM 0 HE3 MET A 7 -4.143 -6.913 85.967 1.00 0.00 H new ATOM 117 N TRP A 8 -2.541 -8.760 89.846 1.00 0.00 N ATOM 118 CA TRP A 8 -2.724 -8.674 91.325 1.00 0.00 C ATOM 119 C TRP A 8 -1.939 -9.781 92.050 1.00 0.00 C ATOM 120 O TRP A 8 -1.795 -9.748 93.253 1.00 0.00 O ATOM 121 CB TRP A 8 -4.213 -8.796 91.672 1.00 0.00 C ATOM 122 CG TRP A 8 -4.437 -8.355 93.086 1.00 0.00 C ATOM 123 CD1 TRP A 8 -4.676 -9.175 94.137 1.00 0.00 C ATOM 124 CD2 TRP A 8 -4.452 -7.000 93.615 1.00 0.00 C ATOM 125 NE1 TRP A 8 -4.833 -8.402 95.280 1.00 0.00 N ATOM 126 CE2 TRP A 8 -4.703 -7.055 95.007 1.00 0.00 C ATOM 127 CE3 TRP A 8 -4.271 -5.740 93.022 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -4.771 -5.895 95.783 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -4.340 -4.572 93.798 1.00 0.00 C ATOM 130 CH2 TRP A 8 -4.589 -4.649 95.175 1.00 0.00 C ATOM 0 H TRP A 8 -3.404 -8.740 89.302 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.343 -7.708 91.656 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.807 -8.185 90.992 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.543 -9.827 91.545 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.735 -10.253 94.093 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.021 -8.783 96.207 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.077 -5.669 91.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -4.963 -5.960 96.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.200 -3.608 93.331 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -4.640 -3.747 95.766 1.00 0.00 H new ATOM 141 N ALA A 9 -1.433 -10.766 91.347 1.00 0.00 N ATOM 142 CA ALA A 9 -0.667 -11.845 92.028 1.00 0.00 C ATOM 143 C ALA A 9 0.812 -11.462 92.105 1.00 0.00 C ATOM 144 O ALA A 9 1.441 -11.570 93.139 1.00 0.00 O ATOM 145 CB ALA A 9 -0.826 -13.149 91.256 1.00 0.00 C ATOM 0 H ALA A 9 -1.519 -10.865 90.336 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.052 -11.977 93.039 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.265 -13.938 91.756 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.880 -13.423 91.217 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.447 -13.020 90.242 1.00 0.00 H new ATOM 151 N LEU A 10 1.367 -10.999 91.018 1.00 0.00 N ATOM 152 CA LEU A 10 2.799 -10.588 91.022 1.00 0.00 C ATOM 153 C LEU A 10 2.991 -9.463 92.037 1.00 0.00 C ATOM 154 O LEU A 10 4.074 -8.945 92.231 1.00 0.00 O ATOM 155 CB LEU A 10 3.193 -10.095 89.621 1.00 0.00 C ATOM 156 CG LEU A 10 3.042 -11.247 88.594 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.752 -11.092 87.789 1.00 0.00 C ATOM 158 CD2 LEU A 10 4.213 -11.241 87.616 1.00 0.00 C ATOM 0 H LEU A 10 0.888 -10.888 90.124 1.00 0.00 H new ATOM 0 HA LEU A 10 3.427 -11.436 91.293 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.563 -9.254 89.332 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.222 -9.735 89.629 1.00 0.00 H new ATOM 0 HG LEU A 10 3.019 -12.183 89.152 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.668 -11.911 87.075 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.897 -11.110 88.465 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.770 -10.144 87.252 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.094 -12.055 86.901 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.237 -10.290 87.083 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.146 -11.373 88.164 1.00 0.00 H new ATOM 170 N LYS A 11 1.918 -9.071 92.645 1.00 0.00 N ATOM 171 CA LYS A 11 1.924 -7.955 93.628 1.00 0.00 C ATOM 172 C LYS A 11 2.224 -8.432 95.064 1.00 0.00 C ATOM 173 O LYS A 11 3.298 -8.210 95.594 1.00 0.00 O ATOM 174 CB LYS A 11 0.518 -7.379 93.581 1.00 0.00 C ATOM 175 CG LYS A 11 0.248 -6.401 94.737 1.00 0.00 C ATOM 176 CD LYS A 11 1.354 -5.350 94.811 1.00 0.00 C ATOM 177 CE LYS A 11 0.932 -4.247 95.781 1.00 0.00 C ATOM 178 NZ LYS A 11 2.118 -3.429 96.159 1.00 0.00 N ATOM 0 H LYS A 11 1.000 -9.492 92.498 1.00 0.00 H new ATOM 0 HA LYS A 11 2.702 -7.234 93.375 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.370 -6.865 92.631 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.207 -8.192 93.619 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.717 -5.914 94.593 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.192 -6.947 95.679 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.286 -5.807 95.144 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.541 -4.930 93.823 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.174 -3.614 95.319 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.482 -4.685 96.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.827 -2.680 96.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.827 -4.037 96.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.529 -2.999 95.306 1.00 0.00 H new ATOM 192 N ASN A 12 1.251 -9.022 95.711 1.00 0.00 N ATOM 193 CA ASN A 12 1.426 -9.447 97.138 1.00 0.00 C ATOM 194 C ASN A 12 2.101 -10.803 97.233 1.00 0.00 C ATOM 195 O ASN A 12 2.198 -11.379 98.298 1.00 0.00 O ATOM 196 CB ASN A 12 0.053 -9.531 97.813 1.00 0.00 C ATOM 197 CG ASN A 12 0.238 -9.521 99.331 1.00 0.00 C ATOM 198 OD1 ASN A 12 -0.152 -10.449 100.012 1.00 0.00 O ATOM 199 ND2 ASN A 12 0.828 -8.499 99.890 1.00 0.00 N ATOM 0 H ASN A 12 0.336 -9.230 95.311 1.00 0.00 H new ATOM 0 HA ASN A 12 2.056 -8.710 97.636 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.569 -8.691 97.505 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.463 -10.440 97.503 1.00 0.00 H new ATOM 0 HD21 ASN A 12 0.963 -8.478 100.901 1.00 0.00 H new ATOM 0 HD22 ASN A 12 1.154 -7.722 99.316 1.00 0.00 H new ATOM 206 N GLY A 13 2.582 -11.316 96.151 1.00 0.00 N ATOM 207 CA GLY A 13 3.259 -12.627 96.204 1.00 0.00 C ATOM 208 C GLY A 13 2.249 -13.763 96.108 1.00 0.00 C ATOM 209 O GLY A 13 2.524 -14.866 96.534 1.00 0.00 O ATOM 0 H GLY A 13 2.536 -10.884 95.228 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.977 -12.703 95.388 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.822 -12.713 97.133 1.00 0.00 H new ATOM 213 N ASP A 14 1.098 -13.528 95.536 1.00 0.00 N ATOM 214 CA ASP A 14 0.121 -14.637 95.393 1.00 0.00 C ATOM 215 C ASP A 14 0.697 -15.595 94.361 1.00 0.00 C ATOM 216 O ASP A 14 0.079 -15.949 93.380 1.00 0.00 O ATOM 217 CB ASP A 14 -1.232 -14.109 94.915 1.00 0.00 C ATOM 218 CG ASP A 14 -1.476 -12.701 95.476 1.00 0.00 C ATOM 219 OD1 ASP A 14 -0.615 -11.854 95.306 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.524 -12.496 96.068 1.00 0.00 O ATOM 0 H ASP A 14 0.798 -12.626 95.167 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.041 -15.132 96.350 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.257 -14.084 93.826 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.028 -14.780 95.237 1.00 0.00 H new ATOM 225 N LEU A 15 1.901 -15.966 94.594 1.00 0.00 N ATOM 226 CA LEU A 15 2.638 -16.853 93.689 1.00 0.00 C ATOM 227 C LEU A 15 1.767 -18.046 93.282 1.00 0.00 C ATOM 228 O LEU A 15 1.886 -18.597 92.209 1.00 0.00 O ATOM 229 CB LEU A 15 3.904 -17.271 94.443 1.00 0.00 C ATOM 230 CG LEU A 15 4.758 -18.250 93.636 1.00 0.00 C ATOM 231 CD1 LEU A 15 4.146 -19.668 93.642 1.00 0.00 C ATOM 232 CD2 LEU A 15 4.921 -17.722 92.199 1.00 0.00 C ATOM 0 H LEU A 15 2.431 -15.676 95.416 1.00 0.00 H new ATOM 0 HA LEU A 15 2.909 -16.359 92.756 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.494 -16.385 94.679 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.625 -17.730 95.391 1.00 0.00 H new ATOM 0 HG LEU A 15 5.741 -18.325 94.101 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.777 -20.339 93.060 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.079 -20.031 94.668 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.149 -19.636 93.203 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.530 -18.419 91.622 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.940 -17.625 91.733 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.409 -16.748 92.223 1.00 0.00 H new ATOM 244 N ASP A 16 0.882 -18.436 94.127 1.00 0.00 N ATOM 245 CA ASP A 16 -0.016 -19.567 93.811 1.00 0.00 C ATOM 246 C ASP A 16 -0.910 -19.214 92.603 1.00 0.00 C ATOM 247 O ASP A 16 -1.325 -20.075 91.848 1.00 0.00 O ATOM 248 CB ASP A 16 -0.888 -19.822 95.039 1.00 0.00 C ATOM 249 CG ASP A 16 -0.038 -19.669 96.304 1.00 0.00 C ATOM 250 OD1 ASP A 16 0.479 -18.582 96.517 1.00 0.00 O ATOM 251 OD2 ASP A 16 0.088 -20.636 97.035 1.00 0.00 O ATOM 0 H ASP A 16 0.735 -18.014 95.044 1.00 0.00 H new ATOM 0 HA ASP A 16 0.566 -20.454 93.559 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.721 -19.120 95.060 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.316 -20.823 94.994 1.00 0.00 H new ATOM 256 N GLU A 17 -1.231 -17.957 92.438 1.00 0.00 N ATOM 257 CA GLU A 17 -2.127 -17.537 91.309 1.00 0.00 C ATOM 258 C GLU A 17 -1.359 -17.482 89.969 1.00 0.00 C ATOM 259 O GLU A 17 -1.799 -18.029 88.974 1.00 0.00 O ATOM 260 CB GLU A 17 -2.712 -16.152 91.636 1.00 0.00 C ATOM 261 CG GLU A 17 -3.939 -16.290 92.553 1.00 0.00 C ATOM 262 CD GLU A 17 -3.616 -17.220 93.727 1.00 0.00 C ATOM 263 OE1 GLU A 17 -3.695 -18.424 93.544 1.00 0.00 O ATOM 264 OE2 GLU A 17 -3.308 -16.712 94.794 1.00 0.00 O ATOM 0 H GLU A 17 -0.911 -17.196 93.038 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.925 -18.271 91.200 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.955 -15.536 92.121 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.994 -15.643 90.715 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.236 -15.310 92.926 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.783 -16.685 91.987 1.00 0.00 H new ATOM 271 N VAL A 18 -0.223 -16.837 89.933 1.00 0.00 N ATOM 272 CA VAL A 18 0.574 -16.756 88.659 1.00 0.00 C ATOM 273 C VAL A 18 0.941 -18.190 88.253 1.00 0.00 C ATOM 274 O VAL A 18 1.051 -18.520 87.087 1.00 0.00 O ATOM 275 CB VAL A 18 1.895 -15.958 88.920 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.864 -14.542 88.331 1.00 0.00 C ATOM 277 CG2 VAL A 18 2.131 -15.846 90.420 1.00 0.00 C ATOM 0 H VAL A 18 0.194 -16.359 90.731 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.002 -16.258 87.879 1.00 0.00 H new ATOM 0 HB VAL A 18 2.697 -16.509 88.429 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.807 -14.039 88.544 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.719 -14.600 87.252 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.044 -13.980 88.778 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.051 -15.290 90.603 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.293 -15.324 90.882 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.218 -16.844 90.850 1.00 0.00 H new ATOM 287 N LYS A 19 1.151 -19.027 89.227 1.00 0.00 N ATOM 288 CA LYS A 19 1.533 -20.433 88.959 1.00 0.00 C ATOM 289 C LYS A 19 0.459 -21.145 88.142 1.00 0.00 C ATOM 290 O LYS A 19 0.752 -21.993 87.330 1.00 0.00 O ATOM 291 CB LYS A 19 1.724 -21.128 90.306 1.00 0.00 C ATOM 292 CG LYS A 19 2.371 -22.517 90.136 1.00 0.00 C ATOM 293 CD LYS A 19 3.127 -22.891 91.432 1.00 0.00 C ATOM 294 CE LYS A 19 4.580 -22.384 91.372 1.00 0.00 C ATOM 295 NZ LYS A 19 5.450 -23.463 90.831 1.00 0.00 N ATOM 0 H LYS A 19 1.072 -18.788 90.216 1.00 0.00 H new ATOM 0 HA LYS A 19 2.455 -20.463 88.378 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.349 -20.510 90.950 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.760 -21.233 90.803 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.606 -23.263 89.919 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.058 -22.510 89.290 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.620 -22.458 92.294 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.118 -23.973 91.567 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.643 -21.498 90.741 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.918 -22.092 92.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.061 -23.075 90.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.040 -23.849 91.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.858 -24.220 90.434 1.00 0.00 H new ATOM 309 N ASP A 20 -0.776 -20.819 88.363 1.00 0.00 N ATOM 310 CA ASP A 20 -1.879 -21.489 87.615 1.00 0.00 C ATOM 311 C ASP A 20 -1.899 -21.043 86.144 1.00 0.00 C ATOM 312 O ASP A 20 -2.065 -21.846 85.243 1.00 0.00 O ATOM 313 CB ASP A 20 -3.219 -21.143 88.279 1.00 0.00 C ATOM 314 CG ASP A 20 -4.271 -22.196 87.918 1.00 0.00 C ATOM 315 OD1 ASP A 20 -4.738 -22.178 86.791 1.00 0.00 O ATOM 316 OD2 ASP A 20 -4.594 -23.002 88.777 1.00 0.00 O ATOM 0 H ASP A 20 -1.077 -20.112 89.034 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.715 -22.566 87.641 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.096 -21.096 89.361 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.552 -20.158 87.953 1.00 0.00 H new ATOM 321 N TYR A 21 -1.754 -19.769 85.895 1.00 0.00 N ATOM 322 CA TYR A 21 -1.794 -19.277 84.486 1.00 0.00 C ATOM 323 C TYR A 21 -0.706 -19.950 83.650 1.00 0.00 C ATOM 324 O TYR A 21 -0.991 -20.585 82.658 1.00 0.00 O ATOM 325 CB TYR A 21 -1.586 -17.758 84.476 1.00 0.00 C ATOM 326 CG TYR A 21 -2.870 -17.073 84.879 1.00 0.00 C ATOM 327 CD1 TYR A 21 -3.859 -16.813 83.922 1.00 0.00 C ATOM 328 CD2 TYR A 21 -3.068 -16.700 86.211 1.00 0.00 C ATOM 329 CE1 TYR A 21 -5.047 -16.176 84.301 1.00 0.00 C ATOM 330 CE2 TYR A 21 -4.251 -16.062 86.590 1.00 0.00 C ATOM 331 CZ TYR A 21 -5.242 -15.800 85.637 1.00 0.00 C ATOM 332 OH TYR A 21 -6.409 -15.166 86.013 1.00 0.00 O ATOM 0 H TYR A 21 -1.610 -19.049 86.603 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.764 -19.522 84.053 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.784 -17.485 85.162 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.281 -17.428 83.483 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.706 -17.103 82.893 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.306 -16.905 86.948 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.812 -15.975 83.565 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.401 -15.771 87.619 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.383 -14.976 86.974 1.00 0.00 H new ATOM 342 N VAL A 22 0.533 -19.807 84.015 1.00 0.00 N ATOM 343 CA VAL A 22 1.610 -20.433 83.202 1.00 0.00 C ATOM 344 C VAL A 22 1.517 -21.962 83.270 1.00 0.00 C ATOM 345 O VAL A 22 2.050 -22.652 82.424 1.00 0.00 O ATOM 346 CB VAL A 22 2.983 -19.947 83.683 1.00 0.00 C ATOM 347 CG1 VAL A 22 3.376 -20.624 84.993 1.00 0.00 C ATOM 348 CG2 VAL A 22 4.032 -20.268 82.623 1.00 0.00 C ATOM 0 H VAL A 22 0.847 -19.288 84.835 1.00 0.00 H new ATOM 0 HA VAL A 22 1.483 -20.134 82.161 1.00 0.00 H new ATOM 0 HB VAL A 22 2.928 -18.871 83.849 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.353 -20.261 85.311 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.636 -20.392 85.759 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.420 -21.703 84.846 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.009 -19.924 82.962 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.064 -21.345 82.457 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.773 -19.765 81.691 1.00 0.00 H new ATOM 358 N ALA A 23 0.845 -22.512 84.248 1.00 0.00 N ATOM 359 CA ALA A 23 0.744 -23.993 84.298 1.00 0.00 C ATOM 360 C ALA A 23 0.078 -24.453 83.009 1.00 0.00 C ATOM 361 O ALA A 23 0.223 -25.580 82.576 1.00 0.00 O ATOM 362 CB ALA A 23 -0.113 -24.418 85.488 1.00 0.00 C ATOM 0 H ALA A 23 0.372 -22.008 84.998 1.00 0.00 H new ATOM 0 HA ALA A 23 1.734 -24.436 84.406 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.182 -25.505 85.517 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.342 -24.058 86.411 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.112 -23.994 85.387 1.00 0.00 H new ATOM 368 N LYS A 24 -0.651 -23.568 82.397 1.00 0.00 N ATOM 369 CA LYS A 24 -1.344 -23.904 81.121 1.00 0.00 C ATOM 370 C LYS A 24 -0.316 -24.309 80.062 1.00 0.00 C ATOM 371 O LYS A 24 -0.068 -25.475 79.837 1.00 0.00 O ATOM 372 CB LYS A 24 -2.128 -22.681 80.616 1.00 0.00 C ATOM 373 CG LYS A 24 -3.455 -22.550 81.386 1.00 0.00 C ATOM 374 CD LYS A 24 -4.538 -23.398 80.702 1.00 0.00 C ATOM 375 CE LYS A 24 -5.663 -23.703 81.695 1.00 0.00 C ATOM 376 NZ LYS A 24 -6.819 -24.300 80.969 1.00 0.00 N ATOM 0 H LYS A 24 -0.800 -22.615 82.728 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.030 -24.732 81.301 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.532 -21.778 80.746 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.326 -22.781 79.549 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.322 -22.877 82.417 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.765 -21.506 81.420 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.937 -22.866 79.838 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.105 -24.328 80.332 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.308 -24.390 82.463 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.972 -22.789 82.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.583 -24.507 81.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.162 -23.629 80.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.520 -25.181 80.504 1.00 0.00 H new ATOM 390 N GLY A 25 0.269 -23.347 79.403 1.00 0.00 N ATOM 391 CA GLY A 25 1.269 -23.668 78.342 1.00 0.00 C ATOM 392 C GLY A 25 2.259 -22.516 78.154 1.00 0.00 C ATOM 393 O GLY A 25 2.192 -21.792 77.188 1.00 0.00 O ATOM 0 H GLY A 25 0.099 -22.352 79.552 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.809 -24.576 78.609 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.755 -23.868 77.402 1.00 0.00 H new ATOM 397 N GLU A 26 3.184 -22.380 79.064 1.00 0.00 N ATOM 398 CA GLU A 26 4.237 -21.306 78.982 1.00 0.00 C ATOM 399 C GLU A 26 3.716 -20.016 78.327 1.00 0.00 C ATOM 400 O GLU A 26 3.508 -19.935 77.135 1.00 0.00 O ATOM 401 CB GLU A 26 5.501 -21.826 78.251 1.00 0.00 C ATOM 402 CG GLU A 26 5.151 -22.767 77.082 1.00 0.00 C ATOM 403 CD GLU A 26 4.507 -21.989 75.933 1.00 0.00 C ATOM 404 OE1 GLU A 26 5.007 -20.925 75.608 1.00 0.00 O ATOM 405 OE2 GLU A 26 3.529 -22.476 75.391 1.00 0.00 O ATOM 0 H GLU A 26 3.263 -22.980 79.885 1.00 0.00 H new ATOM 0 HA GLU A 26 4.507 -21.051 80.007 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.075 -20.979 77.874 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.138 -22.353 78.961 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.053 -23.266 76.729 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.470 -23.545 77.427 1.00 0.00 H new ATOM 412 N ASP A 27 3.537 -18.991 79.114 1.00 0.00 N ATOM 413 CA ASP A 27 3.058 -17.689 78.570 1.00 0.00 C ATOM 414 C ASP A 27 3.755 -16.556 79.320 1.00 0.00 C ATOM 415 O ASP A 27 3.189 -15.508 79.550 1.00 0.00 O ATOM 416 CB ASP A 27 1.543 -17.586 78.757 1.00 0.00 C ATOM 417 CG ASP A 27 0.864 -18.688 77.945 1.00 0.00 C ATOM 418 OD1 ASP A 27 0.882 -18.595 76.729 1.00 0.00 O ATOM 419 OD2 ASP A 27 0.343 -19.608 78.553 1.00 0.00 O ATOM 0 H ASP A 27 3.704 -19.000 80.120 1.00 0.00 H new ATOM 0 HA ASP A 27 3.289 -17.619 77.507 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.287 -17.684 79.812 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.190 -16.607 78.432 1.00 0.00 H new ATOM 424 N VAL A 28 4.990 -16.764 79.703 1.00 0.00 N ATOM 425 CA VAL A 28 5.737 -15.701 80.438 1.00 0.00 C ATOM 426 C VAL A 28 6.440 -14.784 79.443 1.00 0.00 C ATOM 427 O VAL A 28 7.650 -14.672 79.428 1.00 0.00 O ATOM 428 CB VAL A 28 6.766 -16.330 81.370 1.00 0.00 C ATOM 429 CG1 VAL A 28 6.022 -17.088 82.463 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.698 -17.293 80.601 1.00 0.00 C ATOM 0 H VAL A 28 5.512 -17.625 79.538 1.00 0.00 H new ATOM 0 HA VAL A 28 5.031 -15.120 81.031 1.00 0.00 H new ATOM 0 HB VAL A 28 7.386 -15.546 81.804 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.741 -17.546 83.142 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.388 -16.397 83.018 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.404 -17.864 82.011 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.422 -17.727 81.291 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.106 -18.088 80.148 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.225 -16.744 79.821 1.00 0.00 H new ATOM 440 N ASN A 29 5.691 -14.128 78.612 1.00 0.00 N ATOM 441 CA ASN A 29 6.312 -13.218 77.616 1.00 0.00 C ATOM 442 C ASN A 29 5.239 -12.434 76.843 1.00 0.00 C ATOM 443 O ASN A 29 5.539 -11.751 75.884 1.00 0.00 O ATOM 444 CB ASN A 29 7.150 -14.039 76.637 1.00 0.00 C ATOM 445 CG ASN A 29 6.378 -15.285 76.213 1.00 0.00 C ATOM 446 OD1 ASN A 29 6.356 -16.325 76.998 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 5.791 -15.314 75.149 1.00 0.00 N flip ATOM 0 H ASN A 29 4.673 -14.181 78.578 1.00 0.00 H new ATOM 0 HA ASN A 29 6.945 -12.504 78.143 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.396 -13.438 75.762 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.093 -14.325 77.103 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.808 -14.500 74.535 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.281 -16.152 74.871 1.00 0.00 H new ATOM 454 N ARG A 30 4.001 -12.498 77.260 1.00 0.00 N ATOM 455 CA ARG A 30 2.934 -11.733 76.563 1.00 0.00 C ATOM 456 C ARG A 30 2.799 -10.384 77.265 1.00 0.00 C ATOM 457 O ARG A 30 3.156 -10.238 78.416 1.00 0.00 O ATOM 458 CB ARG A 30 1.601 -12.495 76.611 1.00 0.00 C ATOM 459 CG ARG A 30 1.505 -13.326 77.888 1.00 0.00 C ATOM 460 CD ARG A 30 1.561 -12.425 79.133 1.00 0.00 C ATOM 461 NE ARG A 30 0.870 -13.107 80.277 1.00 0.00 N ATOM 462 CZ ARG A 30 -0.397 -13.423 80.225 1.00 0.00 C ATOM 463 NH1 ARG A 30 -1.150 -12.997 79.246 1.00 0.00 N ATOM 464 NH2 ARG A 30 -0.922 -14.136 81.181 1.00 0.00 N ATOM 0 H ARG A 30 3.686 -13.051 78.057 1.00 0.00 H new ATOM 0 HA ARG A 30 3.195 -11.594 75.514 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.771 -11.790 76.566 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.515 -13.145 75.740 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.576 -13.895 77.887 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.321 -14.048 77.919 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.598 -12.213 79.395 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.083 -11.468 78.924 1.00 0.00 H new ATOM 0 HE ARG A 30 1.403 -13.330 81.117 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.750 -12.412 78.512 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.138 -13.250 79.215 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.345 -14.444 81.964 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.910 -14.386 81.147 1.00 0.00 H new ATOM 478 N THR A 31 2.298 -9.403 76.591 1.00 0.00 N ATOM 479 CA THR A 31 2.156 -8.073 77.239 1.00 0.00 C ATOM 480 C THR A 31 1.242 -8.194 78.460 1.00 0.00 C ATOM 481 O THR A 31 0.263 -8.912 78.448 1.00 0.00 O ATOM 482 CB THR A 31 1.575 -7.055 76.256 1.00 0.00 C ATOM 483 OG1 THR A 31 2.192 -7.221 74.989 1.00 0.00 O ATOM 484 CG2 THR A 31 1.845 -5.644 76.784 1.00 0.00 C ATOM 0 H THR A 31 1.980 -9.457 75.623 1.00 0.00 H new ATOM 0 HA THR A 31 3.141 -7.728 77.553 1.00 0.00 H new ATOM 0 HB THR A 31 0.500 -7.206 76.153 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.820 -6.571 74.357 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.434 -4.911 76.090 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.373 -5.524 77.759 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.920 -5.491 76.880 1.00 0.00 H new ATOM 492 N LEU A 32 1.569 -7.506 79.517 1.00 0.00 N ATOM 493 CA LEU A 32 0.746 -7.577 80.744 1.00 0.00 C ATOM 494 C LEU A 32 -0.542 -6.757 80.575 1.00 0.00 C ATOM 495 O LEU A 32 -1.481 -7.183 79.933 1.00 0.00 O ATOM 496 CB LEU A 32 1.595 -7.034 81.907 1.00 0.00 C ATOM 497 CG LEU A 32 1.006 -7.447 83.291 1.00 0.00 C ATOM 498 CD1 LEU A 32 2.094 -8.130 84.136 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.491 -6.208 84.040 1.00 0.00 C ATOM 0 H LEU A 32 2.381 -6.892 79.579 1.00 0.00 H new ATOM 0 HA LEU A 32 0.449 -8.606 80.946 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.615 -7.408 81.819 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.647 -5.947 81.843 1.00 0.00 H new ATOM 0 HG LEU A 32 0.179 -8.138 83.126 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.678 -8.417 85.102 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.453 -9.019 83.617 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.923 -7.439 84.289 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.082 -6.510 85.004 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.313 -5.510 84.197 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.288 -5.725 83.451 1.00 0.00 H new ATOM 511 N GLU A 33 -0.593 -5.598 81.169 1.00 0.00 N ATOM 512 CA GLU A 33 -1.806 -4.744 81.093 1.00 0.00 C ATOM 513 C GLU A 33 -1.846 -3.964 79.767 1.00 0.00 C ATOM 514 O GLU A 33 -2.895 -3.825 79.166 1.00 0.00 O ATOM 515 CB GLU A 33 -1.773 -3.792 82.311 1.00 0.00 C ATOM 516 CG GLU A 33 -2.486 -2.459 82.020 1.00 0.00 C ATOM 517 CD GLU A 33 -3.889 -2.731 81.472 1.00 0.00 C ATOM 518 OE1 GLU A 33 -4.392 -3.817 81.704 1.00 0.00 O ATOM 519 OE2 GLU A 33 -4.438 -1.846 80.835 1.00 0.00 O ATOM 0 H GLU A 33 0.172 -5.201 81.715 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.709 -5.353 81.118 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.247 -4.278 83.164 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.738 -3.596 82.590 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.550 -1.864 82.931 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.910 -1.878 81.300 1.00 0.00 H new ATOM 526 N GLY A 34 -0.741 -3.430 79.303 1.00 0.00 N ATOM 527 CA GLY A 34 -0.799 -2.648 78.028 1.00 0.00 C ATOM 528 C GLY A 34 0.540 -2.639 77.295 1.00 0.00 C ATOM 529 O GLY A 34 0.590 -2.714 76.083 1.00 0.00 O ATOM 0 H GLY A 34 0.178 -3.499 79.740 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.564 -3.073 77.378 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.099 -1.623 78.246 1.00 0.00 H new ATOM 533 N GLY A 35 1.621 -2.521 78.002 1.00 0.00 N ATOM 534 CA GLY A 35 2.951 -2.477 77.318 1.00 0.00 C ATOM 535 C GLY A 35 4.038 -3.053 78.224 1.00 0.00 C ATOM 536 O GLY A 35 5.213 -2.917 77.945 1.00 0.00 O ATOM 0 H GLY A 35 1.650 -2.453 79.019 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.907 -3.043 76.388 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.197 -1.448 77.054 1.00 0.00 H new ATOM 540 N ARG A 36 3.663 -3.697 79.304 1.00 0.00 N ATOM 541 CA ARG A 36 4.680 -4.285 80.233 1.00 0.00 C ATOM 542 C ARG A 36 4.531 -5.806 80.260 1.00 0.00 C ATOM 543 O ARG A 36 3.677 -6.367 79.607 1.00 0.00 O ATOM 544 CB ARG A 36 4.456 -3.722 81.642 1.00 0.00 C ATOM 545 CG ARG A 36 4.051 -2.238 81.549 1.00 0.00 C ATOM 546 CD ARG A 36 4.370 -1.502 82.871 1.00 0.00 C ATOM 547 NE ARG A 36 3.213 -0.639 83.280 1.00 0.00 N ATOM 548 CZ ARG A 36 2.579 0.121 82.419 1.00 0.00 C ATOM 549 NH1 ARG A 36 2.972 0.209 81.176 1.00 0.00 N ATOM 550 NH2 ARG A 36 1.549 0.810 82.820 1.00 0.00 N ATOM 0 H ARG A 36 2.692 -3.841 79.583 1.00 0.00 H new ATOM 0 HA ARG A 36 5.682 -4.029 79.890 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.678 -4.290 82.152 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.365 -3.825 82.234 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.582 -1.762 80.724 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.986 -2.159 81.331 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.587 -2.227 83.655 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.263 -0.890 82.748 1.00 0.00 H new ATOM 0 HE ARG A 36 2.911 -0.643 84.254 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.785 -0.319 80.860 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.465 0.806 80.522 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.245 0.754 83.792 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.046 1.405 82.162 1.00 0.00 H new ATOM 564 N LYS A 37 5.365 -6.472 81.022 1.00 0.00 N ATOM 565 CA LYS A 37 5.302 -7.964 81.123 1.00 0.00 C ATOM 566 C LYS A 37 5.398 -8.376 82.628 1.00 0.00 C ATOM 567 O LYS A 37 5.959 -7.639 83.419 1.00 0.00 O ATOM 568 CB LYS A 37 6.442 -8.552 80.274 1.00 0.00 C ATOM 569 CG LYS A 37 7.826 -8.307 80.915 1.00 0.00 C ATOM 570 CD LYS A 37 8.197 -9.328 82.021 1.00 0.00 C ATOM 571 CE LYS A 37 7.800 -10.774 81.686 1.00 0.00 C ATOM 572 NZ LYS A 37 8.018 -11.051 80.239 1.00 0.00 N ATOM 0 H LYS A 37 6.096 -6.039 81.586 1.00 0.00 H new ATOM 0 HA LYS A 37 4.360 -8.356 80.740 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.285 -9.623 80.148 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.419 -8.108 79.279 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.587 -8.339 80.135 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.846 -7.303 81.340 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.272 -9.287 82.195 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.712 -9.034 82.952 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.387 -11.468 82.288 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.753 -10.939 81.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.424 -12.002 80.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.110 -11.000 79.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.673 -10.345 79.845 1.00 0.00 H new ATOM 586 N PRO A 38 4.815 -9.517 82.996 1.00 0.00 N ATOM 587 CA PRO A 38 4.791 -10.023 84.421 1.00 0.00 C ATOM 588 C PRO A 38 6.172 -10.189 85.161 1.00 0.00 C ATOM 589 O PRO A 38 6.389 -11.199 85.803 1.00 0.00 O ATOM 590 CB PRO A 38 4.063 -11.400 84.310 1.00 0.00 C ATOM 591 CG PRO A 38 3.794 -11.684 82.810 1.00 0.00 C ATOM 592 CD PRO A 38 4.079 -10.392 82.040 1.00 0.00 C ATOM 0 HA PRO A 38 4.302 -9.274 85.045 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.676 -12.190 84.743 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.127 -11.381 84.868 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.432 -12.492 82.452 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.762 -12.001 82.659 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.675 -10.589 81.149 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.154 -9.920 81.707 1.00 0.00 H new ATOM 600 N LEU A 39 7.086 -9.225 85.141 1.00 0.00 N ATOM 601 CA LEU A 39 8.383 -9.386 85.902 1.00 0.00 C ATOM 602 C LEU A 39 8.705 -8.104 86.690 1.00 0.00 C ATOM 603 O LEU A 39 9.424 -8.125 87.666 1.00 0.00 O ATOM 604 CB LEU A 39 9.501 -9.655 84.899 1.00 0.00 C ATOM 605 CG LEU A 39 10.825 -10.179 85.533 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.632 -10.940 86.847 1.00 0.00 C ATOM 607 CD2 LEU A 39 11.493 -11.117 84.525 1.00 0.00 C ATOM 0 H LEU A 39 6.989 -8.344 84.635 1.00 0.00 H new ATOM 0 HA LEU A 39 8.292 -10.214 86.605 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.149 -10.384 84.169 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.713 -8.735 84.355 1.00 0.00 H new ATOM 0 HG LEU A 39 11.434 -9.305 85.767 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.601 -11.270 87.222 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.163 -10.285 87.581 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.995 -11.807 86.675 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.424 -11.499 84.945 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.825 -11.950 84.306 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.706 -10.571 83.606 1.00 0.00 H new ATOM 619 N HIS A 40 8.194 -6.983 86.260 1.00 0.00 N ATOM 620 CA HIS A 40 8.491 -5.702 86.971 1.00 0.00 C ATOM 621 C HIS A 40 7.773 -5.694 88.324 1.00 0.00 C ATOM 622 O HIS A 40 8.344 -5.360 89.338 1.00 0.00 O ATOM 623 CB HIS A 40 8.001 -4.531 86.099 1.00 0.00 C ATOM 624 CG HIS A 40 8.266 -3.214 86.781 1.00 0.00 C ATOM 625 ND1 HIS A 40 9.003 -2.883 87.887 1.00 0.00 N flip ATOM 626 CD2 HIS A 40 7.729 -2.023 86.315 1.00 0.00 C flip ATOM 627 CE1 HIS A 40 8.922 -1.512 88.114 1.00 0.00 C flip ATOM 628 NE2 HIS A 40 8.144 -1.040 87.136 1.00 0.00 N flip ATOM 0 H HIS A 40 7.584 -6.896 85.447 1.00 0.00 H new ATOM 0 HA HIS A 40 9.563 -5.603 87.143 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.505 -4.554 85.133 1.00 0.00 H new ATOM 0 HB3 HIS A 40 6.934 -4.637 85.904 1.00 0.00 H new ATOM 0 HD2 HIS A 40 7.093 -1.905 85.450 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.388 -0.950 88.910 1.00 0.00 H new ATOM 0 HE2 HIS A 40 7.895 -0.057 87.025 1.00 0.00 H new ATOM 636 N TYR A 41 6.535 -6.086 88.341 1.00 0.00 N ATOM 637 CA TYR A 41 5.769 -6.128 89.619 1.00 0.00 C ATOM 638 C TYR A 41 6.350 -7.220 90.506 1.00 0.00 C ATOM 639 O TYR A 41 6.508 -7.062 91.701 1.00 0.00 O ATOM 640 CB TYR A 41 4.314 -6.457 89.301 1.00 0.00 C ATOM 641 CG TYR A 41 3.897 -5.649 88.108 1.00 0.00 C ATOM 642 CD1 TYR A 41 4.227 -6.089 86.825 1.00 0.00 C ATOM 643 CD2 TYR A 41 3.197 -4.453 88.284 1.00 0.00 C ATOM 644 CE1 TYR A 41 3.856 -5.332 85.712 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.822 -3.696 87.171 1.00 0.00 C ATOM 646 CZ TYR A 41 3.152 -4.134 85.882 1.00 0.00 C ATOM 647 OH TYR A 41 2.788 -3.386 84.781 1.00 0.00 O ATOM 0 H TYR A 41 6.012 -6.383 87.517 1.00 0.00 H new ATOM 0 HA TYR A 41 5.831 -5.168 90.132 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.202 -7.522 89.096 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.678 -6.228 90.156 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.769 -7.014 86.693 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.946 -4.114 89.278 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.112 -5.671 84.719 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.278 -2.773 87.305 1.00 0.00 H new ATOM 0 HH TYR A 41 2.305 -2.585 85.075 1.00 0.00 H new ATOM 657 N ALA A 42 6.682 -8.325 89.916 1.00 0.00 N ATOM 658 CA ALA A 42 7.270 -9.438 90.691 1.00 0.00 C ATOM 659 C ALA A 42 8.634 -8.951 91.181 1.00 0.00 C ATOM 660 O ALA A 42 8.874 -8.813 92.357 1.00 0.00 O ATOM 661 CB ALA A 42 7.360 -10.656 89.754 1.00 0.00 C ATOM 0 H ALA A 42 6.569 -8.506 88.918 1.00 0.00 H new ATOM 0 HA ALA A 42 6.680 -9.737 91.558 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.791 -11.499 90.294 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.362 -10.921 89.404 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.991 -10.412 88.899 1.00 0.00 H new ATOM 667 N ALA A 43 9.504 -8.629 90.282 1.00 0.00 N ATOM 668 CA ALA A 43 10.824 -8.071 90.673 1.00 0.00 C ATOM 669 C ALA A 43 10.600 -6.956 91.714 1.00 0.00 C ATOM 670 O ALA A 43 11.035 -7.045 92.847 1.00 0.00 O ATOM 671 CB ALA A 43 11.461 -7.476 89.417 1.00 0.00 C ATOM 0 H ALA A 43 9.360 -8.728 89.277 1.00 0.00 H new ATOM 0 HA ALA A 43 11.468 -8.840 91.100 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.435 -7.056 89.667 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.585 -8.257 88.667 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.818 -6.690 89.020 1.00 0.00 H new ATOM 677 N ASP A 44 9.915 -5.907 91.330 1.00 0.00 N ATOM 678 CA ASP A 44 9.653 -4.769 92.267 1.00 0.00 C ATOM 679 C ASP A 44 9.015 -5.243 93.580 1.00 0.00 C ATOM 680 O ASP A 44 9.306 -4.710 94.629 1.00 0.00 O ATOM 681 CB ASP A 44 8.707 -3.758 91.603 1.00 0.00 C ATOM 682 CG ASP A 44 8.375 -2.634 92.589 1.00 0.00 C ATOM 683 OD1 ASP A 44 7.693 -2.907 93.563 1.00 0.00 O ATOM 684 OD2 ASP A 44 8.798 -1.516 92.347 1.00 0.00 O ATOM 0 H ASP A 44 9.521 -5.789 90.396 1.00 0.00 H new ATOM 0 HA ASP A 44 10.614 -4.308 92.495 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.172 -3.344 90.708 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.792 -4.257 91.285 1.00 0.00 H new ATOM 689 N CYS A 45 8.138 -6.208 93.551 1.00 0.00 N ATOM 690 CA CYS A 45 7.492 -6.641 94.829 1.00 0.00 C ATOM 691 C CYS A 45 6.882 -8.030 94.662 1.00 0.00 C ATOM 692 O CYS A 45 5.683 -8.208 94.764 1.00 0.00 O ATOM 693 CB CYS A 45 6.376 -5.646 95.175 1.00 0.00 C ATOM 694 SG CYS A 45 7.080 -4.184 95.976 1.00 0.00 S ATOM 0 H CYS A 45 7.842 -6.711 92.714 1.00 0.00 H new ATOM 0 HA CYS A 45 8.239 -6.671 95.622 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.844 -5.354 94.270 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.648 -6.118 95.835 1.00 0.00 H new ATOM 0 HG CYS A 45 7.968 -3.646 95.194 1.00 0.00 H new ATOM 700 N GLY A 46 7.701 -9.011 94.406 1.00 0.00 N ATOM 701 CA GLY A 46 7.191 -10.411 94.220 1.00 0.00 C ATOM 702 C GLY A 46 7.661 -11.290 95.377 1.00 0.00 C ATOM 703 O GLY A 46 7.779 -12.490 95.237 1.00 0.00 O ATOM 0 H GLY A 46 8.712 -8.908 94.316 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.102 -10.408 94.172 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.550 -10.816 93.274 1.00 0.00 H new ATOM 707 N GLN A 47 7.961 -10.708 96.509 1.00 0.00 N ATOM 708 CA GLN A 47 8.457 -11.530 97.647 1.00 0.00 C ATOM 709 C GLN A 47 9.709 -12.264 97.158 1.00 0.00 C ATOM 710 O GLN A 47 10.226 -13.164 97.791 1.00 0.00 O ATOM 711 CB GLN A 47 7.368 -12.506 98.111 1.00 0.00 C ATOM 712 CG GLN A 47 6.049 -11.752 98.316 1.00 0.00 C ATOM 713 CD GLN A 47 6.253 -10.558 99.249 1.00 0.00 C ATOM 714 OE1 GLN A 47 7.055 -10.608 100.161 1.00 0.00 O ATOM 715 NE2 GLN A 47 5.533 -9.483 99.066 1.00 0.00 N ATOM 0 H GLN A 47 7.884 -9.707 96.692 1.00 0.00 H new ATOM 0 HA GLN A 47 8.705 -10.909 98.508 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.235 -13.296 97.371 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.671 -12.988 99.041 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.667 -11.409 97.355 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.300 -12.424 98.735 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.861 -9.444 98.300 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.643 -8.683 99.689 1.00 0.00 H new ATOM 724 N LEU A 48 10.196 -11.823 96.023 1.00 0.00 N ATOM 725 CA LEU A 48 11.432 -12.369 95.385 1.00 0.00 C ATOM 726 C LEU A 48 11.307 -13.840 95.000 1.00 0.00 C ATOM 727 O LEU A 48 12.259 -14.454 94.561 1.00 0.00 O ATOM 728 CB LEU A 48 12.628 -12.167 96.303 1.00 0.00 C ATOM 729 CG LEU A 48 13.021 -10.657 96.460 1.00 0.00 C ATOM 730 CD1 LEU A 48 12.300 -9.697 95.479 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.717 -10.205 97.885 1.00 0.00 C ATOM 0 H LEU A 48 9.763 -11.069 95.489 1.00 0.00 H new ATOM 0 HA LEU A 48 11.578 -11.814 94.458 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.402 -12.584 97.285 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.480 -12.721 95.910 1.00 0.00 H new ATOM 0 HG LEU A 48 14.084 -10.602 96.226 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.633 -8.675 95.660 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.537 -9.980 94.453 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.223 -9.761 95.633 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.988 -9.156 98.000 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.653 -10.329 98.087 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.292 -10.807 98.588 1.00 0.00 H new ATOM 743 N GLU A 49 10.150 -14.388 95.114 1.00 0.00 N ATOM 744 CA GLU A 49 9.930 -15.804 94.701 1.00 0.00 C ATOM 745 C GLU A 49 9.217 -15.789 93.353 1.00 0.00 C ATOM 746 O GLU A 49 9.446 -16.623 92.499 1.00 0.00 O ATOM 747 CB GLU A 49 9.061 -16.527 95.734 1.00 0.00 C ATOM 748 CG GLU A 49 8.208 -15.504 96.468 1.00 0.00 C ATOM 749 CD GLU A 49 7.190 -16.224 97.351 1.00 0.00 C ATOM 750 OE1 GLU A 49 7.612 -16.963 98.225 1.00 0.00 O ATOM 751 OE2 GLU A 49 6.007 -16.025 97.137 1.00 0.00 O ATOM 0 H GLU A 49 9.324 -13.916 95.481 1.00 0.00 H new ATOM 0 HA GLU A 49 10.883 -16.327 94.628 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.425 -17.263 95.242 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.689 -17.070 96.441 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.840 -14.858 97.077 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.694 -14.863 95.752 1.00 0.00 H new ATOM 758 N ILE A 50 8.331 -14.856 93.179 1.00 0.00 N ATOM 759 CA ILE A 50 7.570 -14.786 91.913 1.00 0.00 C ATOM 760 C ILE A 50 8.499 -14.541 90.742 1.00 0.00 C ATOM 761 O ILE A 50 8.329 -15.109 89.691 1.00 0.00 O ATOM 762 CB ILE A 50 6.546 -13.651 91.966 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.682 -13.747 93.288 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.705 -13.743 90.693 1.00 0.00 C ATOM 765 CD1 ILE A 50 4.145 -13.829 93.044 1.00 0.00 C ATOM 0 H ILE A 50 8.101 -14.136 93.864 1.00 0.00 H new ATOM 0 HA ILE A 50 7.059 -15.740 91.782 1.00 0.00 H new ATOM 0 HB ILE A 50 7.029 -12.675 92.002 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.996 -14.626 93.851 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.894 -12.878 93.911 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.959 -12.948 90.691 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.351 -13.636 89.822 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.204 -14.710 90.657 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.627 -13.892 94.001 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.813 -12.938 92.510 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.918 -14.714 92.450 1.00 0.00 H new ATOM 777 N LEU A 51 9.451 -13.687 90.877 1.00 0.00 N ATOM 778 CA LEU A 51 10.328 -13.433 89.716 1.00 0.00 C ATOM 779 C LEU A 51 11.032 -14.742 89.327 1.00 0.00 C ATOM 780 O LEU A 51 10.929 -15.195 88.219 1.00 0.00 O ATOM 781 CB LEU A 51 11.348 -12.285 89.964 1.00 0.00 C ATOM 782 CG LEU A 51 11.636 -11.995 91.445 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.366 -11.552 92.211 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.287 -13.216 92.103 1.00 0.00 C ATOM 0 H LEU A 51 9.663 -13.159 91.723 1.00 0.00 H new ATOM 0 HA LEU A 51 9.706 -13.091 88.889 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.285 -12.536 89.467 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.972 -11.375 89.495 1.00 0.00 H new ATOM 0 HG LEU A 51 12.333 -11.159 91.492 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.619 -11.358 93.253 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.967 -10.644 91.759 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.616 -12.342 92.160 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.487 -13.000 93.153 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.614 -14.071 92.030 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.223 -13.447 91.595 1.00 0.00 H new ATOM 796 N GLU A 52 11.738 -15.355 90.216 1.00 0.00 N ATOM 797 CA GLU A 52 12.420 -16.625 89.859 1.00 0.00 C ATOM 798 C GLU A 52 11.404 -17.602 89.258 1.00 0.00 C ATOM 799 O GLU A 52 11.760 -18.474 88.492 1.00 0.00 O ATOM 800 CB GLU A 52 13.025 -17.266 91.119 1.00 0.00 C ATOM 801 CG GLU A 52 14.288 -16.527 91.566 1.00 0.00 C ATOM 802 CD GLU A 52 15.162 -17.461 92.412 1.00 0.00 C ATOM 803 OE1 GLU A 52 14.717 -17.850 93.479 1.00 0.00 O ATOM 804 OE2 GLU A 52 16.256 -17.772 91.975 1.00 0.00 O ATOM 0 H GLU A 52 11.877 -15.038 91.175 1.00 0.00 H new ATOM 0 HA GLU A 52 13.208 -16.410 89.137 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.290 -17.255 91.924 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.264 -18.311 90.920 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.846 -16.181 90.696 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.018 -15.643 92.144 1.00 0.00 H new ATOM 811 N PHE A 53 10.154 -17.492 89.628 1.00 0.00 N ATOM 812 CA PHE A 53 9.143 -18.448 89.103 1.00 0.00 C ATOM 813 C PHE A 53 9.005 -18.334 87.585 1.00 0.00 C ATOM 814 O PHE A 53 9.607 -19.072 86.840 1.00 0.00 O ATOM 815 CB PHE A 53 7.778 -18.204 89.757 1.00 0.00 C ATOM 816 CG PHE A 53 6.749 -19.103 89.100 1.00 0.00 C ATOM 817 CD1 PHE A 53 6.902 -20.496 89.143 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.663 -18.541 88.418 1.00 0.00 C ATOM 819 CE1 PHE A 53 5.974 -21.322 88.503 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.733 -19.363 87.787 1.00 0.00 C ATOM 821 CZ PHE A 53 4.892 -20.760 87.826 1.00 0.00 C ATOM 0 H PHE A 53 9.794 -16.784 90.268 1.00 0.00 H new ATOM 0 HA PHE A 53 9.488 -19.453 89.348 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.830 -18.410 90.826 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.489 -17.159 89.648 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.738 -20.931 89.671 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.546 -17.468 88.381 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.095 -22.395 88.533 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.891 -18.929 87.269 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.175 -21.398 87.331 1.00 0.00 H new ATOM 831 N LEU A 54 8.184 -17.444 87.125 1.00 0.00 N ATOM 832 CA LEU A 54 7.969 -17.319 85.658 1.00 0.00 C ATOM 833 C LEU A 54 9.303 -17.121 84.905 1.00 0.00 C ATOM 834 O LEU A 54 9.430 -17.495 83.760 1.00 0.00 O ATOM 835 CB LEU A 54 6.976 -16.169 85.368 1.00 0.00 C ATOM 836 CG LEU A 54 6.937 -15.155 86.512 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.333 -14.606 86.785 1.00 0.00 C ATOM 838 CD2 LEU A 54 6.025 -14.008 86.104 1.00 0.00 C ATOM 0 H LEU A 54 7.649 -16.793 87.700 1.00 0.00 H new ATOM 0 HA LEU A 54 7.536 -18.250 85.291 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.262 -15.665 84.445 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.979 -16.580 85.211 1.00 0.00 H new ATOM 0 HG LEU A 54 6.569 -15.642 87.415 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.287 -13.886 87.602 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.999 -15.424 87.059 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.712 -14.115 85.889 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.983 -13.273 86.908 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.414 -13.537 85.201 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.023 -14.391 85.911 1.00 0.00 H new ATOM 850 N LEU A 55 10.294 -16.568 85.530 1.00 0.00 N ATOM 851 CA LEU A 55 11.618 -16.382 84.836 1.00 0.00 C ATOM 852 C LEU A 55 12.241 -17.758 84.569 1.00 0.00 C ATOM 853 O LEU A 55 12.800 -17.995 83.522 1.00 0.00 O ATOM 854 CB LEU A 55 12.525 -15.534 85.745 1.00 0.00 C ATOM 855 CG LEU A 55 13.557 -14.756 84.929 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.333 -13.820 85.867 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.522 -15.729 84.243 1.00 0.00 C ATOM 0 H LEU A 55 10.259 -16.232 86.492 1.00 0.00 H new ATOM 0 HA LEU A 55 11.491 -15.871 83.881 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.916 -14.839 86.323 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.035 -16.181 86.459 1.00 0.00 H new ATOM 0 HG LEU A 55 13.051 -14.168 84.163 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.072 -13.261 85.293 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.641 -13.125 86.342 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.838 -14.409 86.632 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.254 -15.167 83.663 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.036 -16.324 84.998 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.963 -16.389 83.579 1.00 0.00 H new ATOM 869 N LEU A 56 12.136 -18.676 85.485 1.00 0.00 N ATOM 870 CA LEU A 56 12.721 -20.018 85.224 1.00 0.00 C ATOM 871 C LEU A 56 11.966 -20.666 84.061 1.00 0.00 C ATOM 872 O LEU A 56 12.533 -21.403 83.280 1.00 0.00 O ATOM 873 CB LEU A 56 12.709 -20.880 86.500 1.00 0.00 C ATOM 874 CG LEU A 56 11.356 -21.603 86.709 1.00 0.00 C ATOM 875 CD1 LEU A 56 11.420 -23.033 86.148 1.00 0.00 C ATOM 876 CD2 LEU A 56 11.047 -21.693 88.213 1.00 0.00 C ATOM 0 H LEU A 56 11.678 -18.560 86.389 1.00 0.00 H new ATOM 0 HA LEU A 56 13.769 -19.923 84.938 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.508 -21.619 86.444 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.918 -20.249 87.364 1.00 0.00 H new ATOM 0 HG LEU A 56 10.581 -21.038 86.191 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.461 -23.528 86.303 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.641 -22.996 85.081 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.203 -23.591 86.662 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.094 -22.202 88.359 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.837 -22.252 88.714 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.990 -20.689 88.633 1.00 0.00 H new ATOM 888 N LYS A 57 10.704 -20.348 83.897 1.00 0.00 N ATOM 889 CA LYS A 57 9.953 -20.898 82.739 1.00 0.00 C ATOM 890 C LYS A 57 10.612 -20.290 81.506 1.00 0.00 C ATOM 891 O LYS A 57 11.708 -20.664 81.131 1.00 0.00 O ATOM 892 CB LYS A 57 8.474 -20.465 82.810 1.00 0.00 C ATOM 893 CG LYS A 57 7.658 -21.472 83.642 1.00 0.00 C ATOM 894 CD LYS A 57 7.178 -22.616 82.741 1.00 0.00 C ATOM 895 CE LYS A 57 6.746 -23.811 83.593 1.00 0.00 C ATOM 896 NZ LYS A 57 5.631 -23.412 84.499 1.00 0.00 N ATOM 0 H LYS A 57 10.170 -19.735 84.513 1.00 0.00 H new ATOM 0 HA LYS A 57 9.975 -21.988 82.722 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.400 -19.472 83.254 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.060 -20.395 81.804 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.269 -21.867 84.454 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.804 -20.973 84.099 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.345 -22.279 82.125 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.977 -22.914 82.062 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.428 -24.631 82.950 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.590 -24.175 84.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.230 -24.259 84.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.992 -22.768 85.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.892 -22.930 83.948 1.00 0.00 H new ATOM 910 N GLY A 58 9.995 -19.306 80.911 1.00 0.00 N ATOM 911 CA GLY A 58 10.644 -18.638 79.765 1.00 0.00 C ATOM 912 C GLY A 58 11.734 -17.770 80.359 1.00 0.00 C ATOM 913 O GLY A 58 12.462 -18.222 81.210 1.00 0.00 O ATOM 0 H GLY A 58 9.078 -18.943 81.171 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.060 -19.368 79.071 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.927 -18.038 79.205 1.00 0.00 H new ATOM 917 N ALA A 59 11.844 -16.536 79.964 1.00 0.00 N ATOM 918 CA ALA A 59 12.893 -15.678 80.572 1.00 0.00 C ATOM 919 C ALA A 59 12.950 -14.330 79.876 1.00 0.00 C ATOM 920 O ALA A 59 13.835 -14.041 79.097 1.00 0.00 O ATOM 921 CB ALA A 59 14.242 -16.376 80.486 1.00 0.00 C ATOM 0 H ALA A 59 11.262 -16.089 79.256 1.00 0.00 H new ATOM 0 HA ALA A 59 12.646 -15.510 81.620 1.00 0.00 H new ATOM 0 HB1 ALA A 59 15.008 -15.743 80.933 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.196 -17.324 81.022 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.489 -16.562 79.441 1.00 0.00 H new ATOM 927 N ASP A 60 12.020 -13.505 80.202 1.00 0.00 N ATOM 928 CA ASP A 60 11.984 -12.138 79.632 1.00 0.00 C ATOM 929 C ASP A 60 13.041 -11.318 80.365 1.00 0.00 C ATOM 930 O ASP A 60 13.178 -10.130 80.205 1.00 0.00 O ATOM 931 CB ASP A 60 10.583 -11.558 79.841 1.00 0.00 C ATOM 932 CG ASP A 60 10.576 -10.033 79.700 1.00 0.00 C ATOM 933 OD1 ASP A 60 11.086 -9.364 80.584 1.00 0.00 O ATOM 934 OD2 ASP A 60 10.021 -9.559 78.724 1.00 0.00 O ATOM 0 H ASP A 60 11.264 -13.717 80.853 1.00 0.00 H new ATOM 0 HA ASP A 60 12.195 -12.131 78.563 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.896 -11.994 79.115 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.218 -11.834 80.830 1.00 0.00 H new ATOM 939 N ILE A 61 13.804 -11.982 81.166 1.00 0.00 N ATOM 940 CA ILE A 61 14.877 -11.312 81.934 1.00 0.00 C ATOM 941 C ILE A 61 15.675 -10.395 81.003 1.00 0.00 C ATOM 942 O ILE A 61 16.366 -9.491 81.430 1.00 0.00 O ATOM 943 CB ILE A 61 15.788 -12.419 82.447 1.00 0.00 C ATOM 944 CG1 ILE A 61 16.883 -11.839 83.354 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.411 -13.147 81.246 1.00 0.00 C ATOM 946 CD1 ILE A 61 17.973 -12.889 83.606 1.00 0.00 C ATOM 0 H ILE A 61 13.730 -12.986 81.327 1.00 0.00 H new ATOM 0 HA ILE A 61 14.470 -10.713 82.749 1.00 0.00 H new ATOM 0 HB ILE A 61 15.205 -13.125 83.038 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.320 -10.955 82.889 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.449 -11.520 84.302 1.00 0.00 H new ATOM 0 HG21 ILE A 61 17.066 -13.942 81.602 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.620 -13.576 80.631 1.00 0.00 H new ATOM 0 HG23 ILE A 61 16.990 -12.440 80.652 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.744 -12.466 84.250 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.533 -13.761 84.090 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.417 -13.187 82.656 1.00 0.00 H new ATOM 958 N ASN A 62 15.597 -10.657 79.728 1.00 0.00 N ATOM 959 CA ASN A 62 16.364 -9.859 78.726 1.00 0.00 C ATOM 960 C ASN A 62 15.436 -9.406 77.599 1.00 0.00 C ATOM 961 O ASN A 62 15.536 -8.297 77.117 1.00 0.00 O ATOM 962 CB ASN A 62 17.470 -10.747 78.150 1.00 0.00 C ATOM 963 CG ASN A 62 16.852 -12.006 77.538 1.00 0.00 C ATOM 964 OD1 ASN A 62 16.017 -12.712 78.247 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 17.124 -12.344 76.403 1.00 0.00 N flip ATOM 0 H ASN A 62 15.025 -11.402 79.330 1.00 0.00 H new ATOM 0 HA ASN A 62 16.793 -8.978 79.203 1.00 0.00 H new ATOM 0 HB2 ASN A 62 18.031 -10.200 77.392 1.00 0.00 H new ATOM 0 HB3 ASN A 62 18.176 -11.021 78.934 1.00 0.00 H new ATOM 0 HD21 ASN A 62 17.778 -11.791 75.849 1.00 0.00 H new ATOM 0 HD22 ASN A 62 16.699 -13.181 76.004 1.00 0.00 H new ATOM 972 N ALA A 63 14.529 -10.264 77.203 1.00 0.00 N ATOM 973 CA ALA A 63 13.527 -9.941 76.104 1.00 0.00 C ATOM 974 C ALA A 63 13.433 -8.434 75.740 1.00 0.00 C ATOM 975 O ALA A 63 13.724 -8.088 74.615 1.00 0.00 O ATOM 976 CB ALA A 63 12.126 -10.479 76.446 1.00 0.00 C ATOM 0 H ALA A 63 14.428 -11.200 77.596 1.00 0.00 H new ATOM 0 HA ALA A 63 13.915 -10.449 75.221 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.435 -10.231 75.641 1.00 0.00 H new ATOM 0 HB2 ALA A 63 12.171 -11.561 76.565 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.779 -10.026 77.374 1.00 0.00 H new ATOM 982 N PRO A 64 13.012 -7.579 76.675 1.00 0.00 N ATOM 983 CA PRO A 64 12.839 -6.137 76.470 1.00 0.00 C ATOM 984 C PRO A 64 13.306 -5.581 75.127 1.00 0.00 C ATOM 985 O PRO A 64 14.380 -5.863 74.634 1.00 0.00 O ATOM 986 CB PRO A 64 13.534 -5.565 77.691 1.00 0.00 C ATOM 987 CG PRO A 64 13.240 -6.615 78.811 1.00 0.00 C ATOM 988 CD PRO A 64 12.734 -7.899 78.083 1.00 0.00 C ATOM 0 HA PRO A 64 11.790 -5.849 76.393 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.605 -5.447 77.524 1.00 0.00 H new ATOM 0 HB3 PRO A 64 13.142 -4.582 77.951 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.138 -6.826 79.392 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.489 -6.241 79.508 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.266 -8.791 78.412 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.673 -8.077 78.260 1.00 0.00 H new ATOM 996 N ASP A 65 12.473 -4.751 74.558 1.00 0.00 N ATOM 997 CA ASP A 65 12.781 -4.093 73.259 1.00 0.00 C ATOM 998 C ASP A 65 12.185 -2.688 73.308 1.00 0.00 C ATOM 999 O ASP A 65 12.852 -1.705 73.056 1.00 0.00 O ATOM 1000 CB ASP A 65 12.147 -4.874 72.106 1.00 0.00 C ATOM 1001 CG ASP A 65 12.971 -6.128 71.817 1.00 0.00 C ATOM 1002 OD1 ASP A 65 13.942 -6.019 71.087 1.00 0.00 O ATOM 1003 OD2 ASP A 65 12.614 -7.176 72.327 1.00 0.00 O ATOM 0 H ASP A 65 11.568 -4.496 74.953 1.00 0.00 H new ATOM 0 HA ASP A 65 13.858 -4.059 73.098 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.124 -5.150 72.361 1.00 0.00 H new ATOM 0 HB3 ASP A 65 12.096 -4.248 71.215 1.00 0.00 H new ATOM 1008 N LYS A 66 10.926 -2.588 73.654 1.00 0.00 N ATOM 1009 CA LYS A 66 10.272 -1.281 73.750 1.00 0.00 C ATOM 1010 C LYS A 66 10.546 -0.710 75.143 1.00 0.00 C ATOM 1011 O LYS A 66 10.560 0.486 75.354 1.00 0.00 O ATOM 1012 CB LYS A 66 8.775 -1.497 73.540 1.00 0.00 C ATOM 1013 CG LYS A 66 7.982 -0.267 73.964 1.00 0.00 C ATOM 1014 CD LYS A 66 8.449 0.968 73.195 1.00 0.00 C ATOM 1015 CE LYS A 66 8.226 0.776 71.683 1.00 0.00 C ATOM 1016 NZ LYS A 66 9.447 0.179 71.076 1.00 0.00 N ATOM 0 H LYS A 66 10.326 -3.383 73.875 1.00 0.00 H new ATOM 0 HA LYS A 66 10.647 -0.582 73.002 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.579 -1.717 72.490 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.445 -2.363 74.114 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.920 -0.433 73.784 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.102 -0.102 75.035 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.904 1.847 73.541 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.505 1.149 73.393 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.366 0.128 71.510 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.003 1.734 71.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.490 0.427 70.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.291 0.548 71.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.415 -0.856 71.177 1.00 0.00 H new ATOM 1030 N HIS A 67 10.765 -1.575 76.091 1.00 0.00 N ATOM 1031 CA HIS A 67 11.039 -1.130 77.477 1.00 0.00 C ATOM 1032 C HIS A 67 12.504 -0.711 77.604 1.00 0.00 C ATOM 1033 O HIS A 67 12.918 -0.176 78.615 1.00 0.00 O ATOM 1034 CB HIS A 67 10.753 -2.295 78.424 1.00 0.00 C ATOM 1035 CG HIS A 67 9.526 -3.041 77.968 1.00 0.00 C ATOM 1036 ND1 HIS A 67 9.558 -3.973 76.938 1.00 0.00 N ATOM 1037 CD2 HIS A 67 8.226 -3.018 78.408 1.00 0.00 C ATOM 1038 CE1 HIS A 67 8.312 -4.469 76.802 1.00 0.00 C ATOM 1039 NE2 HIS A 67 7.463 -3.920 77.672 1.00 0.00 N ATOM 0 H HIS A 67 10.765 -2.586 75.959 1.00 0.00 H new ATOM 0 HA HIS A 67 10.406 -0.279 77.729 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.609 -2.969 78.453 1.00 0.00 H new ATOM 0 HB3 HIS A 67 10.606 -1.923 79.438 1.00 0.00 H new ATOM 0 HD2 HIS A 67 7.851 -2.394 79.206 1.00 0.00 H new ATOM 0 HE1 HIS A 67 8.035 -5.220 76.077 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.468 -4.119 77.776 1.00 0.00 H new ATOM 1047 N HIS A 68 13.290 -0.942 76.585 1.00 0.00 N ATOM 1048 CA HIS A 68 14.730 -0.556 76.640 1.00 0.00 C ATOM 1049 C HIS A 68 15.320 -0.879 78.021 1.00 0.00 C ATOM 1050 O HIS A 68 16.291 -0.280 78.442 1.00 0.00 O ATOM 1051 CB HIS A 68 14.858 0.946 76.375 1.00 0.00 C ATOM 1052 CG HIS A 68 16.309 1.340 76.379 1.00 0.00 C ATOM 1053 ND1 HIS A 68 16.913 1.904 77.490 1.00 0.00 N ATOM 1054 CD2 HIS A 68 17.289 1.261 75.420 1.00 0.00 C ATOM 1055 CE1 HIS A 68 18.201 2.139 77.177 1.00 0.00 C ATOM 1056 NE2 HIS A 68 18.484 1.765 75.927 1.00 0.00 N ATOM 0 H HIS A 68 12.995 -1.383 75.714 1.00 0.00 H new ATOM 0 HA HIS A 68 15.276 -1.119 75.883 1.00 0.00 H new ATOM 0 HB2 HIS A 68 14.406 1.195 75.415 1.00 0.00 H new ATOM 0 HB3 HIS A 68 14.317 1.507 77.137 1.00 0.00 H new ATOM 0 HD2 HIS A 68 17.153 0.868 74.423 1.00 0.00 H new ATOM 0 HE1 HIS A 68 18.919 2.577 77.855 1.00 0.00 H new ATOM 0 HE2 HIS A 68 19.381 1.834 75.447 1.00 0.00 H new ATOM 1064 N ILE A 69 14.751 -1.825 78.736 1.00 0.00 N ATOM 1065 CA ILE A 69 15.306 -2.167 80.080 1.00 0.00 C ATOM 1066 C ILE A 69 14.967 -3.580 80.463 1.00 0.00 C ATOM 1067 O ILE A 69 13.992 -4.163 80.042 1.00 0.00 O ATOM 1068 CB ILE A 69 14.798 -1.165 81.165 1.00 0.00 C ATOM 1069 CG1 ILE A 69 16.017 -0.562 81.866 1.00 0.00 C ATOM 1070 CG2 ILE A 69 13.879 -1.824 82.249 1.00 0.00 C ATOM 1071 CD1 ILE A 69 16.817 -1.640 82.591 1.00 0.00 C ATOM 0 H ILE A 69 13.936 -2.367 78.448 1.00 0.00 H new ATOM 0 HA ILE A 69 16.391 -2.085 80.021 1.00 0.00 H new ATOM 0 HB ILE A 69 14.196 -0.414 80.653 1.00 0.00 H new ATOM 0 HG12 ILE A 69 16.652 -0.063 81.134 1.00 0.00 H new ATOM 0 HG13 ILE A 69 15.693 0.197 82.578 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.565 -1.068 82.968 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.001 -2.254 81.768 1.00 0.00 H new ATOM 0 HG23 ILE A 69 14.431 -2.609 82.766 1.00 0.00 H new ATOM 0 HD11 ILE A 69 17.678 -1.186 83.081 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.186 -2.121 83.338 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.159 -2.384 81.872 1.00 0.00 H new ATOM 1083 N THR A 70 15.797 -4.111 81.300 1.00 0.00 N ATOM 1084 CA THR A 70 15.624 -5.476 81.801 1.00 0.00 C ATOM 1085 C THR A 70 15.244 -5.338 83.285 1.00 0.00 C ATOM 1086 O THR A 70 15.501 -4.323 83.886 1.00 0.00 O ATOM 1087 CB THR A 70 16.936 -6.222 81.626 1.00 0.00 C ATOM 1088 OG1 THR A 70 16.986 -7.279 82.557 1.00 0.00 O ATOM 1089 CG2 THR A 70 18.069 -5.201 81.820 1.00 0.00 C ATOM 0 H THR A 70 16.618 -3.630 81.667 1.00 0.00 H new ATOM 0 HA THR A 70 14.853 -6.033 81.268 1.00 0.00 H new ATOM 0 HB THR A 70 17.036 -6.667 80.636 1.00 0.00 H new ATOM 0 HG1 THR A 70 17.128 -8.125 82.084 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.031 -5.699 81.702 1.00 0.00 H new ATOM 0 HG22 THR A 70 17.976 -4.409 81.077 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.003 -4.770 82.819 1.00 0.00 H new ATOM 1097 N PRO A 71 14.534 -6.283 83.813 1.00 0.00 N ATOM 1098 CA PRO A 71 13.990 -6.161 85.182 1.00 0.00 C ATOM 1099 C PRO A 71 15.026 -6.156 86.312 1.00 0.00 C ATOM 1100 O PRO A 71 14.686 -5.855 87.437 1.00 0.00 O ATOM 1101 CB PRO A 71 13.020 -7.356 85.277 1.00 0.00 C ATOM 1102 CG PRO A 71 12.859 -7.847 83.830 1.00 0.00 C ATOM 1103 CD PRO A 71 14.174 -7.549 83.158 1.00 0.00 C ATOM 0 HA PRO A 71 13.518 -5.189 85.327 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.421 -8.141 85.919 1.00 0.00 H new ATOM 0 HB3 PRO A 71 12.062 -7.055 85.702 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.635 -8.913 83.800 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.037 -7.334 83.330 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.914 -8.330 83.332 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.072 -7.442 82.078 1.00 0.00 H new ATOM 1111 N LEU A 72 16.260 -6.468 86.083 1.00 0.00 N ATOM 1112 CA LEU A 72 17.188 -6.425 87.233 1.00 0.00 C ATOM 1113 C LEU A 72 17.203 -5.006 87.776 1.00 0.00 C ATOM 1114 O LEU A 72 17.231 -4.798 88.969 1.00 0.00 O ATOM 1115 CB LEU A 72 18.624 -6.881 86.869 1.00 0.00 C ATOM 1116 CG LEU A 72 18.682 -7.736 85.579 1.00 0.00 C ATOM 1117 CD1 LEU A 72 17.457 -8.683 85.432 1.00 0.00 C ATOM 1118 CD2 LEU A 72 18.794 -6.811 84.359 1.00 0.00 C ATOM 0 H LEU A 72 16.658 -6.742 85.185 1.00 0.00 H new ATOM 0 HA LEU A 72 16.833 -7.128 87.987 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.257 -6.002 86.744 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.037 -7.456 87.698 1.00 0.00 H new ATOM 0 HG LEU A 72 19.563 -8.375 85.645 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.550 -9.258 84.511 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.419 -9.364 86.282 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.542 -8.092 85.400 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.835 -7.411 83.450 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.926 -6.153 84.321 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.701 -6.211 84.439 1.00 0.00 H new ATOM 1130 N LEU A 73 17.174 -4.021 86.923 1.00 0.00 N ATOM 1131 CA LEU A 73 17.186 -2.637 87.458 1.00 0.00 C ATOM 1132 C LEU A 73 15.856 -2.336 88.121 1.00 0.00 C ATOM 1133 O LEU A 73 15.747 -1.464 88.955 1.00 0.00 O ATOM 1134 CB LEU A 73 17.465 -1.641 86.355 1.00 0.00 C ATOM 1135 CG LEU A 73 18.785 -2.026 85.673 1.00 0.00 C ATOM 1136 CD1 LEU A 73 18.540 -3.107 84.598 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.433 -0.761 85.087 1.00 0.00 C ATOM 0 H LEU A 73 17.143 -4.111 85.907 1.00 0.00 H new ATOM 0 HA LEU A 73 17.981 -2.551 88.199 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.651 -1.640 85.631 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.530 -0.632 86.763 1.00 0.00 H new ATOM 0 HG LEU A 73 19.472 -2.456 86.402 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.486 -3.369 84.124 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.110 -3.993 85.065 1.00 0.00 H new ATOM 0 HD13 LEU A 73 17.851 -2.723 83.846 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.372 -1.025 84.600 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.760 -0.312 84.357 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.628 -0.048 85.888 1.00 0.00 H new ATOM 1149 N SER A 74 14.835 -3.052 87.773 1.00 0.00 N ATOM 1150 CA SER A 74 13.531 -2.780 88.424 1.00 0.00 C ATOM 1151 C SER A 74 13.711 -2.945 89.952 1.00 0.00 C ATOM 1152 O SER A 74 13.302 -2.108 90.739 1.00 0.00 O ATOM 1153 CB SER A 74 12.439 -3.739 87.901 1.00 0.00 C ATOM 1154 OG SER A 74 11.737 -4.318 88.996 1.00 0.00 O ATOM 0 H SER A 74 14.842 -3.800 87.080 1.00 0.00 H new ATOM 0 HA SER A 74 13.209 -1.765 88.190 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.745 -3.198 87.258 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.892 -4.522 87.293 1.00 0.00 H new ATOM 0 HG SER A 74 10.794 -4.056 88.955 1.00 0.00 H new ATOM 1160 N ALA A 75 14.332 -4.022 90.368 1.00 0.00 N ATOM 1161 CA ALA A 75 14.547 -4.253 91.835 1.00 0.00 C ATOM 1162 C ALA A 75 15.589 -3.277 92.394 1.00 0.00 C ATOM 1163 O ALA A 75 15.504 -2.855 93.530 1.00 0.00 O ATOM 1164 CB ALA A 75 15.038 -5.679 92.067 1.00 0.00 C ATOM 0 H ALA A 75 14.700 -4.752 89.757 1.00 0.00 H new ATOM 0 HA ALA A 75 13.597 -4.094 92.345 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.193 -5.842 93.134 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.294 -6.385 91.696 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.978 -5.831 91.537 1.00 0.00 H new ATOM 1170 N VAL A 76 16.582 -2.931 91.616 1.00 0.00 N ATOM 1171 CA VAL A 76 17.643 -2.001 92.101 1.00 0.00 C ATOM 1172 C VAL A 76 17.001 -0.845 92.866 1.00 0.00 C ATOM 1173 O VAL A 76 17.165 -0.715 94.063 1.00 0.00 O ATOM 1174 CB VAL A 76 18.421 -1.503 90.864 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.324 -0.283 91.138 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.301 -2.637 90.375 1.00 0.00 C ATOM 0 H VAL A 76 16.703 -3.257 90.657 1.00 0.00 H new ATOM 0 HA VAL A 76 18.329 -2.500 92.785 1.00 0.00 H new ATOM 0 HB VAL A 76 17.680 -1.190 90.129 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.835 0.005 90.219 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.714 0.549 91.490 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.061 -0.540 91.899 1.00 0.00 H new ATOM 0 HG21 VAL A 76 19.863 -2.310 89.500 1.00 0.00 H new ATOM 0 HG22 VAL A 76 19.995 -2.925 91.164 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.679 -3.492 90.109 1.00 0.00 H new ATOM 1186 N TYR A 77 16.282 -0.002 92.188 1.00 0.00 N ATOM 1187 CA TYR A 77 15.640 1.144 92.893 1.00 0.00 C ATOM 1188 C TYR A 77 14.427 0.630 93.678 1.00 0.00 C ATOM 1189 O TYR A 77 13.337 1.152 93.560 1.00 0.00 O ATOM 1190 CB TYR A 77 15.196 2.227 91.880 1.00 0.00 C ATOM 1191 CG TYR A 77 15.986 2.079 90.610 1.00 0.00 C ATOM 1192 CD1 TYR A 77 17.222 2.716 90.467 1.00 0.00 C ATOM 1193 CD2 TYR A 77 15.481 1.293 89.575 1.00 0.00 C ATOM 1194 CE1 TYR A 77 17.949 2.565 89.286 1.00 0.00 C ATOM 1195 CE2 TYR A 77 16.206 1.140 88.394 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.442 1.775 88.247 1.00 0.00 C ATOM 1197 OH TYR A 77 18.160 1.629 87.076 1.00 0.00 O ATOM 0 H TYR A 77 16.109 -0.052 91.184 1.00 0.00 H new ATOM 0 HA TYR A 77 16.360 1.593 93.577 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.131 2.130 91.671 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.349 3.220 92.303 1.00 0.00 H new ATOM 0 HD1 TYR A 77 17.613 3.324 91.269 1.00 0.00 H new ATOM 0 HD2 TYR A 77 14.526 0.802 89.688 1.00 0.00 H new ATOM 0 HE1 TYR A 77 18.903 3.058 89.173 1.00 0.00 H new ATOM 0 HE2 TYR A 77 15.813 0.531 87.593 1.00 0.00 H new ATOM 0 HH TYR A 77 17.576 1.809 86.310 1.00 0.00 H new ATOM 1207 N GLU A 78 14.600 -0.399 94.468 1.00 0.00 N ATOM 1208 CA GLU A 78 13.443 -0.948 95.240 1.00 0.00 C ATOM 1209 C GLU A 78 13.849 -1.210 96.688 1.00 0.00 C ATOM 1210 O GLU A 78 13.026 -1.219 97.585 1.00 0.00 O ATOM 1211 CB GLU A 78 13.039 -2.278 94.601 1.00 0.00 C ATOM 1212 CG GLU A 78 11.584 -2.597 94.938 1.00 0.00 C ATOM 1213 CD GLU A 78 10.674 -1.632 94.177 1.00 0.00 C ATOM 1214 OE1 GLU A 78 11.025 -1.277 93.063 1.00 0.00 O ATOM 1215 OE2 GLU A 78 9.648 -1.258 94.722 1.00 0.00 O ATOM 0 H GLU A 78 15.487 -0.881 94.612 1.00 0.00 H new ATOM 0 HA GLU A 78 12.620 -0.233 95.224 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.168 -2.226 93.520 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.688 -3.076 94.961 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.352 -3.627 94.667 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.417 -2.505 96.011 1.00 0.00 H new ATOM 1222 N GLY A 79 15.099 -1.474 96.919 1.00 0.00 N ATOM 1223 CA GLY A 79 15.541 -1.795 98.299 1.00 0.00 C ATOM 1224 C GLY A 79 15.396 -3.301 98.466 1.00 0.00 C ATOM 1225 O GLY A 79 15.804 -3.880 99.455 1.00 0.00 O ATOM 0 H GLY A 79 15.835 -1.482 96.212 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.574 -1.486 98.456 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.935 -1.264 99.033 1.00 0.00 H new ATOM 1229 N HIS A 80 14.832 -3.941 97.474 1.00 0.00 N ATOM 1230 CA HIS A 80 14.670 -5.415 97.525 1.00 0.00 C ATOM 1231 C HIS A 80 15.996 -6.070 97.206 1.00 0.00 C ATOM 1232 O HIS A 80 16.528 -6.798 98.013 1.00 0.00 O ATOM 1233 CB HIS A 80 13.616 -5.863 96.506 1.00 0.00 C ATOM 1234 CG HIS A 80 12.248 -5.808 97.117 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.457 -6.936 97.170 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.540 -4.819 97.750 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.334 -6.620 97.818 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.323 -5.335 98.196 1.00 0.00 N ATOM 0 H HIS A 80 14.476 -3.498 96.627 1.00 0.00 H new ATOM 0 HA HIS A 80 14.343 -5.709 98.522 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.655 -5.221 95.626 1.00 0.00 H new ATOM 0 HB3 HIS A 80 13.832 -6.877 96.171 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.872 -3.800 97.883 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.532 -7.316 98.014 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.586 -4.842 98.700 1.00 0.00 H new ATOM 1246 N VAL A 81 16.541 -5.798 96.044 1.00 0.00 N ATOM 1247 CA VAL A 81 17.858 -6.374 95.657 1.00 0.00 C ATOM 1248 C VAL A 81 18.078 -7.778 96.257 1.00 0.00 C ATOM 1249 O VAL A 81 19.177 -8.298 96.290 1.00 0.00 O ATOM 1250 CB VAL A 81 18.955 -5.365 96.048 1.00 0.00 C ATOM 1251 CG1 VAL A 81 19.092 -4.288 94.954 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.542 -4.640 97.322 1.00 0.00 C ATOM 0 H VAL A 81 16.119 -5.192 95.341 1.00 0.00 H new ATOM 0 HA VAL A 81 17.894 -6.531 94.579 1.00 0.00 H new ATOM 0 HB VAL A 81 19.890 -5.909 96.181 1.00 0.00 H new ATOM 0 HG11 VAL A 81 19.869 -3.578 95.237 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.360 -4.761 94.009 1.00 0.00 H new ATOM 0 HG13 VAL A 81 18.144 -3.762 94.841 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.316 -3.925 97.601 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.604 -4.111 97.152 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.410 -5.364 98.126 1.00 0.00 H new ATOM 1262 N SER A 82 17.019 -8.424 96.643 1.00 0.00 N ATOM 1263 CA SER A 82 17.116 -9.818 97.124 1.00 0.00 C ATOM 1264 C SER A 82 16.955 -10.640 95.855 1.00 0.00 C ATOM 1265 O SER A 82 17.375 -11.772 95.755 1.00 0.00 O ATOM 1266 CB SER A 82 15.990 -10.109 98.125 1.00 0.00 C ATOM 1267 OG SER A 82 16.501 -9.978 99.447 1.00 0.00 O ATOM 0 H SER A 82 16.076 -8.035 96.644 1.00 0.00 H new ATOM 0 HA SER A 82 18.047 -10.037 97.646 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.161 -9.418 97.971 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.599 -11.115 97.970 1.00 0.00 H new ATOM 0 HG SER A 82 15.787 -10.161 100.093 1.00 0.00 H new ATOM 1273 N CYS A 83 16.337 -10.012 94.875 1.00 0.00 N ATOM 1274 CA CYS A 83 16.105 -10.657 93.543 1.00 0.00 C ATOM 1275 C CYS A 83 17.367 -10.510 92.681 1.00 0.00 C ATOM 1276 O CYS A 83 17.863 -11.458 92.128 1.00 0.00 O ATOM 1277 CB CYS A 83 14.922 -9.968 92.830 1.00 0.00 C ATOM 1278 SG CYS A 83 14.589 -8.362 93.601 1.00 0.00 S ATOM 0 H CYS A 83 15.978 -9.060 94.948 1.00 0.00 H new ATOM 0 HA CYS A 83 15.877 -11.713 93.689 1.00 0.00 H new ATOM 0 HB2 CYS A 83 15.152 -9.833 91.773 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.035 -10.599 92.886 1.00 0.00 H new ATOM 0 HG CYS A 83 13.472 -7.883 93.141 1.00 0.00 H new ATOM 1284 N VAL A 84 17.893 -9.319 92.573 1.00 0.00 N ATOM 1285 CA VAL A 84 19.137 -9.113 91.761 1.00 0.00 C ATOM 1286 C VAL A 84 20.132 -10.207 92.118 1.00 0.00 C ATOM 1287 O VAL A 84 20.816 -10.755 91.287 1.00 0.00 O ATOM 1288 CB VAL A 84 19.756 -7.782 92.152 1.00 0.00 C ATOM 1289 CG1 VAL A 84 18.795 -6.653 91.790 1.00 0.00 C ATOM 1290 CG2 VAL A 84 20.050 -7.811 93.650 1.00 0.00 C ATOM 0 H VAL A 84 17.518 -8.477 93.010 1.00 0.00 H new ATOM 0 HA VAL A 84 18.898 -9.133 90.698 1.00 0.00 H new ATOM 0 HB VAL A 84 20.689 -7.610 91.615 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.236 -5.696 92.069 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.606 -6.666 90.717 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.855 -6.789 92.325 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.496 -6.863 93.952 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.122 -7.967 94.200 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.743 -8.624 93.869 1.00 0.00 H new ATOM 1300 N LYS A 85 20.212 -10.501 93.380 1.00 0.00 N ATOM 1301 CA LYS A 85 21.158 -11.526 93.860 1.00 0.00 C ATOM 1302 C LYS A 85 21.000 -12.832 93.066 1.00 0.00 C ATOM 1303 O LYS A 85 21.794 -13.144 92.200 1.00 0.00 O ATOM 1304 CB LYS A 85 20.859 -11.770 95.350 1.00 0.00 C ATOM 1305 CG LYS A 85 21.342 -10.567 96.216 1.00 0.00 C ATOM 1306 CD LYS A 85 22.431 -11.008 97.208 1.00 0.00 C ATOM 1307 CE LYS A 85 23.728 -11.329 96.454 1.00 0.00 C ATOM 1308 NZ LYS A 85 24.584 -12.216 97.293 1.00 0.00 N ATOM 0 H LYS A 85 19.649 -10.064 94.110 1.00 0.00 H new ATOM 0 HA LYS A 85 22.184 -11.183 93.722 1.00 0.00 H new ATOM 0 HB2 LYS A 85 19.788 -11.919 95.491 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.354 -12.683 95.680 1.00 0.00 H new ATOM 0 HG2 LYS A 85 21.731 -9.781 95.569 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.498 -10.144 96.761 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.611 -10.219 97.938 1.00 0.00 H new ATOM 0 HD3 LYS A 85 22.096 -11.885 97.762 1.00 0.00 H new ATOM 0 HE2 LYS A 85 23.499 -11.817 95.506 1.00 0.00 H new ATOM 0 HE3 LYS A 85 24.261 -10.408 96.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 25.463 -12.434 96.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 24.812 -11.734 98.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 24.074 -13.099 97.497 1.00 0.00 H new ATOM 1322 N LEU A 86 20.003 -13.613 93.369 1.00 0.00 N ATOM 1323 CA LEU A 86 19.845 -14.910 92.636 1.00 0.00 C ATOM 1324 C LEU A 86 19.650 -14.686 91.134 1.00 0.00 C ATOM 1325 O LEU A 86 19.527 -15.623 90.370 1.00 0.00 O ATOM 1326 CB LEU A 86 18.708 -15.769 93.216 1.00 0.00 C ATOM 1327 CG LEU A 86 17.353 -15.049 93.293 1.00 0.00 C ATOM 1328 CD1 LEU A 86 17.405 -13.882 94.282 1.00 0.00 C ATOM 1329 CD2 LEU A 86 16.910 -14.564 91.903 1.00 0.00 C ATOM 0 H LEU A 86 19.298 -13.419 94.080 1.00 0.00 H new ATOM 0 HA LEU A 86 20.773 -15.464 92.776 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.597 -16.665 92.605 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.990 -16.098 94.216 1.00 0.00 H new ATOM 0 HG LEU A 86 16.615 -15.765 93.655 1.00 0.00 H new ATOM 0 HD11 LEU A 86 16.433 -13.391 94.316 1.00 0.00 H new ATOM 0 HD12 LEU A 86 17.657 -14.257 95.274 1.00 0.00 H new ATOM 0 HD13 LEU A 86 18.162 -13.166 93.961 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.948 -14.058 91.984 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.652 -13.872 91.506 1.00 0.00 H new ATOM 0 HD23 LEU A 86 16.815 -15.418 91.233 1.00 0.00 H new ATOM 1341 N LEU A 87 19.593 -13.459 90.706 1.00 0.00 N ATOM 1342 CA LEU A 87 19.377 -13.176 89.251 1.00 0.00 C ATOM 1343 C LEU A 87 20.642 -13.428 88.421 1.00 0.00 C ATOM 1344 O LEU A 87 20.744 -14.431 87.745 1.00 0.00 O ATOM 1345 CB LEU A 87 18.947 -11.707 89.111 1.00 0.00 C ATOM 1346 CG LEU A 87 17.565 -11.601 88.482 1.00 0.00 C ATOM 1347 CD1 LEU A 87 17.082 -10.167 88.632 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.644 -11.970 87.001 1.00 0.00 C ATOM 0 H LEU A 87 19.686 -12.633 91.298 1.00 0.00 H new ATOM 0 HA LEU A 87 18.607 -13.849 88.872 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.942 -11.231 90.091 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.671 -11.169 88.499 1.00 0.00 H new ATOM 0 HG LEU A 87 16.872 -12.283 88.975 1.00 0.00 H new ATOM 0 HD11 LEU A 87 16.092 -10.068 88.187 1.00 0.00 H new ATOM 0 HD12 LEU A 87 17.032 -9.909 89.690 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.775 -9.495 88.127 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.653 -11.893 86.554 1.00 0.00 H new ATOM 0 HD22 LEU A 87 18.326 -11.289 86.492 1.00 0.00 H new ATOM 0 HD23 LEU A 87 18.010 -12.992 86.900 1.00 0.00 H new ATOM 1360 N LEU A 88 21.597 -12.527 88.430 1.00 0.00 N ATOM 1361 CA LEU A 88 22.806 -12.758 87.597 1.00 0.00 C ATOM 1362 C LEU A 88 23.371 -14.123 87.936 1.00 0.00 C ATOM 1363 O LEU A 88 24.212 -14.660 87.241 1.00 0.00 O ATOM 1364 CB LEU A 88 23.858 -11.646 87.777 1.00 0.00 C ATOM 1365 CG LEU A 88 24.517 -11.657 89.174 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.441 -11.684 90.251 1.00 0.00 C ATOM 1367 CD2 LEU A 88 25.473 -12.862 89.342 1.00 0.00 C ATOM 0 H LEU A 88 21.588 -11.661 88.968 1.00 0.00 H new ATOM 0 HA LEU A 88 22.523 -12.730 86.545 1.00 0.00 H new ATOM 0 HB2 LEU A 88 24.631 -11.758 87.016 1.00 0.00 H new ATOM 0 HB3 LEU A 88 23.386 -10.677 87.612 1.00 0.00 H new ATOM 0 HG LEU A 88 25.110 -10.748 89.276 1.00 0.00 H new ATOM 0 HD11 LEU A 88 23.911 -11.692 91.235 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.810 -10.800 90.157 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.831 -12.580 90.133 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.918 -12.837 90.337 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.914 -13.790 89.218 1.00 0.00 H new ATOM 0 HD23 LEU A 88 26.261 -12.809 88.590 1.00 0.00 H new ATOM 1379 N SER A 89 22.864 -14.708 88.976 1.00 0.00 N ATOM 1380 CA SER A 89 23.303 -16.066 89.342 1.00 0.00 C ATOM 1381 C SER A 89 22.938 -16.947 88.158 1.00 0.00 C ATOM 1382 O SER A 89 23.423 -18.048 87.989 1.00 0.00 O ATOM 1383 CB SER A 89 22.552 -16.529 90.596 1.00 0.00 C ATOM 1384 OG SER A 89 23.230 -17.638 91.170 1.00 0.00 O ATOM 0 H SER A 89 22.160 -14.298 89.590 1.00 0.00 H new ATOM 0 HA SER A 89 24.370 -16.108 89.559 1.00 0.00 H new ATOM 0 HB2 SER A 89 22.489 -15.714 91.317 1.00 0.00 H new ATOM 0 HB3 SER A 89 21.530 -16.807 90.339 1.00 0.00 H new ATOM 0 HG SER A 89 22.752 -17.934 91.973 1.00 0.00 H new ATOM 1390 N LYS A 90 22.051 -16.434 87.342 1.00 0.00 N ATOM 1391 CA LYS A 90 21.575 -17.147 86.160 1.00 0.00 C ATOM 1392 C LYS A 90 22.162 -16.501 84.900 1.00 0.00 C ATOM 1393 O LYS A 90 22.250 -17.115 83.856 1.00 0.00 O ATOM 1394 CB LYS A 90 20.055 -17.005 86.160 1.00 0.00 C ATOM 1395 CG LYS A 90 19.465 -18.118 85.328 1.00 0.00 C ATOM 1396 CD LYS A 90 17.996 -17.838 85.003 1.00 0.00 C ATOM 1397 CE LYS A 90 17.863 -16.566 84.147 1.00 0.00 C ATOM 1398 NZ LYS A 90 19.145 -16.277 83.432 1.00 0.00 N ATOM 0 H LYS A 90 21.633 -15.512 87.469 1.00 0.00 H new ATOM 0 HA LYS A 90 21.875 -18.195 86.173 1.00 0.00 H new ATOM 0 HB2 LYS A 90 19.671 -17.051 87.179 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.766 -16.036 85.754 1.00 0.00 H new ATOM 0 HG2 LYS A 90 20.032 -18.226 84.403 1.00 0.00 H new ATOM 0 HG3 LYS A 90 19.549 -19.063 85.865 1.00 0.00 H new ATOM 0 HD2 LYS A 90 17.568 -18.687 84.471 1.00 0.00 H new ATOM 0 HD3 LYS A 90 17.429 -17.722 85.927 1.00 0.00 H new ATOM 0 HE2 LYS A 90 17.057 -16.690 83.424 1.00 0.00 H new ATOM 0 HE3 LYS A 90 17.595 -15.721 84.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 18.956 -15.663 82.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 19.803 -15.799 84.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 19.568 -17.169 83.104 1.00 0.00 H new ATOM 1412 N GLY A 91 22.565 -15.259 84.998 1.00 0.00 N ATOM 1413 CA GLY A 91 23.153 -14.550 83.823 1.00 0.00 C ATOM 1414 C GLY A 91 22.709 -13.080 83.813 1.00 0.00 C ATOM 1415 O GLY A 91 23.295 -12.243 84.468 1.00 0.00 O ATOM 0 H GLY A 91 22.511 -14.702 85.851 1.00 0.00 H new ATOM 0 HA2 GLY A 91 24.241 -14.609 83.861 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.839 -15.038 82.900 1.00 0.00 H new ATOM 1419 N ALA A 92 21.676 -12.765 83.065 1.00 0.00 N ATOM 1420 CA ALA A 92 21.174 -11.351 82.990 1.00 0.00 C ATOM 1421 C ALA A 92 22.332 -10.369 82.853 1.00 0.00 C ATOM 1422 O ALA A 92 22.139 -9.179 82.977 1.00 0.00 O ATOM 1423 CB ALA A 92 20.368 -11.021 84.270 1.00 0.00 C ATOM 0 H ALA A 92 21.154 -13.433 82.498 1.00 0.00 H new ATOM 0 HA ALA A 92 20.535 -11.257 82.112 1.00 0.00 H new ATOM 0 HB1 ALA A 92 20.004 -9.995 84.216 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.522 -11.703 84.353 1.00 0.00 H new ATOM 0 HB3 ALA A 92 21.011 -11.132 85.143 1.00 0.00 H new ATOM 1429 N ASP A 93 23.519 -10.847 82.597 1.00 0.00 N ATOM 1430 CA ASP A 93 24.679 -9.932 82.466 1.00 0.00 C ATOM 1431 C ASP A 93 24.563 -8.840 83.534 1.00 0.00 C ATOM 1432 O ASP A 93 24.612 -9.108 84.715 1.00 0.00 O ATOM 1433 CB ASP A 93 24.638 -9.317 81.076 1.00 0.00 C ATOM 1434 CG ASP A 93 25.028 -10.377 80.041 1.00 0.00 C ATOM 1435 OD1 ASP A 93 24.440 -11.445 80.068 1.00 0.00 O ATOM 1436 OD2 ASP A 93 25.902 -10.100 79.236 1.00 0.00 O ATOM 0 H ASP A 93 23.732 -11.837 82.473 1.00 0.00 H new ATOM 0 HA ASP A 93 25.620 -10.464 82.603 1.00 0.00 H new ATOM 0 HB2 ASP A 93 23.639 -8.936 80.864 1.00 0.00 H new ATOM 0 HB3 ASP A 93 25.321 -8.470 81.021 1.00 0.00 H new ATOM 1441 N LYS A 94 24.370 -7.627 83.127 1.00 0.00 N ATOM 1442 CA LYS A 94 24.205 -6.536 84.112 1.00 0.00 C ATOM 1443 C LYS A 94 23.746 -5.273 83.371 1.00 0.00 C ATOM 1444 O LYS A 94 22.989 -4.475 83.892 1.00 0.00 O ATOM 1445 CB LYS A 94 25.532 -6.316 84.826 1.00 0.00 C ATOM 1446 CG LYS A 94 26.693 -6.466 83.821 1.00 0.00 C ATOM 1447 CD LYS A 94 27.830 -5.502 84.182 1.00 0.00 C ATOM 1448 CE LYS A 94 27.453 -4.073 83.773 1.00 0.00 C ATOM 1449 NZ LYS A 94 28.692 -3.254 83.635 1.00 0.00 N ATOM 0 H LYS A 94 24.319 -7.342 82.149 1.00 0.00 H new ATOM 0 HA LYS A 94 23.453 -6.789 84.860 1.00 0.00 H new ATOM 0 HB2 LYS A 94 25.554 -5.324 85.276 1.00 0.00 H new ATOM 0 HB3 LYS A 94 25.644 -7.036 85.636 1.00 0.00 H new ATOM 0 HG2 LYS A 94 27.060 -7.492 83.828 1.00 0.00 H new ATOM 0 HG3 LYS A 94 26.339 -6.261 82.811 1.00 0.00 H new ATOM 0 HD2 LYS A 94 28.027 -5.543 85.253 1.00 0.00 H new ATOM 0 HD3 LYS A 94 28.748 -5.804 83.678 1.00 0.00 H new ATOM 0 HE2 LYS A 94 26.905 -4.085 82.831 1.00 0.00 H new ATOM 0 HE3 LYS A 94 26.793 -3.631 84.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 28.438 -2.284 83.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 29.197 -3.233 84.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 29.306 -3.673 82.907 1.00 0.00 H new ATOM 1463 N THR A 95 24.178 -5.102 82.140 1.00 0.00 N ATOM 1464 CA THR A 95 23.751 -3.911 81.329 1.00 0.00 C ATOM 1465 C THR A 95 23.429 -4.368 79.915 1.00 0.00 C ATOM 1466 O THR A 95 23.825 -3.750 78.945 1.00 0.00 O ATOM 1467 CB THR A 95 24.864 -2.861 81.245 1.00 0.00 C ATOM 1468 OG1 THR A 95 26.068 -3.469 80.794 1.00 0.00 O ATOM 1469 CG2 THR A 95 25.075 -2.225 82.615 1.00 0.00 C ATOM 0 H THR A 95 24.812 -5.740 81.659 1.00 0.00 H new ATOM 0 HA THR A 95 22.881 -3.467 81.814 1.00 0.00 H new ATOM 0 HB THR A 95 24.576 -2.085 80.536 1.00 0.00 H new ATOM 0 HG1 THR A 95 26.776 -2.793 80.740 1.00 0.00 H new ATOM 0 HG21 THR A 95 25.867 -1.479 82.552 1.00 0.00 H new ATOM 0 HG22 THR A 95 24.151 -1.747 82.940 1.00 0.00 H new ATOM 0 HG23 THR A 95 25.358 -2.994 83.334 1.00 0.00 H new ATOM 1477 N VAL A 96 22.706 -5.440 79.780 1.00 0.00 N ATOM 1478 CA VAL A 96 22.356 -5.921 78.428 1.00 0.00 C ATOM 1479 C VAL A 96 21.247 -5.019 77.893 1.00 0.00 C ATOM 1480 O VAL A 96 20.753 -5.219 76.805 1.00 0.00 O ATOM 1481 CB VAL A 96 21.886 -7.405 78.519 1.00 0.00 C ATOM 1482 CG1 VAL A 96 20.821 -7.744 77.457 1.00 0.00 C ATOM 1483 CG2 VAL A 96 23.088 -8.344 78.319 1.00 0.00 C ATOM 0 H VAL A 96 22.344 -6.002 80.551 1.00 0.00 H new ATOM 0 HA VAL A 96 23.212 -5.883 77.754 1.00 0.00 H new ATOM 0 HB VAL A 96 21.445 -7.542 79.506 1.00 0.00 H new ATOM 0 HG11 VAL A 96 20.524 -8.788 77.559 1.00 0.00 H new ATOM 0 HG12 VAL A 96 19.950 -7.104 77.598 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.235 -7.580 76.462 1.00 0.00 H new ATOM 0 HG21 VAL A 96 22.755 -9.380 78.383 1.00 0.00 H new ATOM 0 HG22 VAL A 96 23.530 -8.165 77.339 1.00 0.00 H new ATOM 0 HG23 VAL A 96 23.832 -8.153 79.093 1.00 0.00 H new ATOM 1493 N LYS A 97 20.835 -4.014 78.634 1.00 0.00 N ATOM 1494 CA LYS A 97 19.732 -3.156 78.075 1.00 0.00 C ATOM 1495 C LYS A 97 19.592 -1.797 78.801 1.00 0.00 C ATOM 1496 O LYS A 97 18.899 -0.922 78.318 1.00 0.00 O ATOM 1497 CB LYS A 97 18.406 -3.956 78.145 1.00 0.00 C ATOM 1498 CG LYS A 97 17.635 -3.876 76.810 1.00 0.00 C ATOM 1499 CD LYS A 97 18.281 -4.791 75.754 1.00 0.00 C ATOM 1500 CE LYS A 97 17.289 -5.048 74.609 1.00 0.00 C ATOM 1501 NZ LYS A 97 16.356 -3.891 74.476 1.00 0.00 N ATOM 0 H LYS A 97 21.191 -3.757 79.555 1.00 0.00 H new ATOM 0 HA LYS A 97 19.980 -2.914 77.042 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.619 -4.998 78.383 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.785 -3.565 78.951 1.00 0.00 H new ATOM 0 HG2 LYS A 97 16.597 -4.168 76.966 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.626 -2.847 76.450 1.00 0.00 H new ATOM 0 HD2 LYS A 97 19.188 -4.328 75.364 1.00 0.00 H new ATOM 0 HD3 LYS A 97 18.576 -5.736 76.210 1.00 0.00 H new ATOM 0 HE2 LYS A 97 17.830 -5.199 73.675 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.725 -5.961 74.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.913 -3.908 73.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.619 -3.954 75.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.885 -3.003 74.594 1.00 0.00 H new ATOM 1515 N GLY A 98 20.223 -1.585 79.928 1.00 0.00 N ATOM 1516 CA GLY A 98 20.071 -0.257 80.600 1.00 0.00 C ATOM 1517 C GLY A 98 20.874 0.794 79.819 1.00 0.00 C ATOM 1518 O GLY A 98 21.572 0.453 78.886 1.00 0.00 O ATOM 0 H GLY A 98 20.825 -2.257 80.404 1.00 0.00 H new ATOM 0 HA2 GLY A 98 19.019 0.026 80.640 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.426 -0.313 81.629 1.00 0.00 H new ATOM 1522 N PRO A 99 20.766 2.047 80.219 1.00 0.00 N ATOM 1523 CA PRO A 99 21.501 3.147 79.560 1.00 0.00 C ATOM 1524 C PRO A 99 22.908 2.688 79.227 1.00 0.00 C ATOM 1525 O PRO A 99 23.274 2.509 78.083 1.00 0.00 O ATOM 1526 CB PRO A 99 21.493 4.270 80.617 1.00 0.00 C ATOM 1527 CG PRO A 99 20.311 3.957 81.569 1.00 0.00 C ATOM 1528 CD PRO A 99 19.936 2.471 81.364 1.00 0.00 C ATOM 0 HA PRO A 99 21.062 3.476 78.618 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.436 4.298 81.163 1.00 0.00 H new ATOM 0 HB3 PRO A 99 21.367 5.246 80.148 1.00 0.00 H new ATOM 0 HG2 PRO A 99 20.593 4.143 82.605 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.460 4.602 81.350 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.151 1.879 82.254 1.00 0.00 H new ATOM 0 HD3 PRO A 99 18.873 2.353 81.152 1.00 0.00 H new ATOM 1536 N ASP A 100 23.683 2.483 80.229 1.00 0.00 N ATOM 1537 CA ASP A 100 25.065 2.019 80.022 1.00 0.00 C ATOM 1538 C ASP A 100 25.581 1.510 81.359 1.00 0.00 C ATOM 1539 O ASP A 100 24.968 0.675 82.003 1.00 0.00 O ATOM 1540 CB ASP A 100 25.924 3.186 79.528 1.00 0.00 C ATOM 1541 CG ASP A 100 27.274 2.661 79.036 1.00 0.00 C ATOM 1542 OD1 ASP A 100 27.277 1.861 78.114 1.00 0.00 O ATOM 1543 OD2 ASP A 100 28.283 3.067 79.589 1.00 0.00 O ATOM 0 H ASP A 100 23.416 2.619 81.204 1.00 0.00 H new ATOM 0 HA ASP A 100 25.106 1.225 79.277 1.00 0.00 H new ATOM 0 HB2 ASP A 100 25.412 3.711 78.722 1.00 0.00 H new ATOM 0 HB3 ASP A 100 26.074 3.906 80.333 1.00 0.00 H new ATOM 1548 N GLY A 101 26.680 2.017 81.801 1.00 0.00 N ATOM 1549 CA GLY A 101 27.210 1.566 83.102 1.00 0.00 C ATOM 1550 C GLY A 101 26.209 1.915 84.204 1.00 0.00 C ATOM 1551 O GLY A 101 26.441 1.650 85.373 1.00 0.00 O ATOM 0 H GLY A 101 27.236 2.724 81.320 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.387 0.491 83.083 1.00 0.00 H new ATOM 0 HA3 GLY A 101 28.169 2.043 83.302 1.00 0.00 H new ATOM 1555 N LEU A 102 25.075 2.487 83.869 1.00 0.00 N ATOM 1556 CA LEU A 102 24.123 2.820 84.939 1.00 0.00 C ATOM 1557 C LEU A 102 23.879 1.628 85.777 1.00 0.00 C ATOM 1558 O LEU A 102 24.268 1.619 86.926 1.00 0.00 O ATOM 1559 CB LEU A 102 22.777 3.334 84.399 1.00 0.00 C ATOM 1560 CG LEU A 102 21.897 3.789 85.589 1.00 0.00 C ATOM 1561 CD1 LEU A 102 20.759 4.701 85.123 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.311 2.594 86.368 1.00 0.00 C ATOM 0 H LEU A 102 24.786 2.727 82.921 1.00 0.00 H new ATOM 0 HA LEU A 102 24.573 3.621 85.525 1.00 0.00 H new ATOM 0 HB2 LEU A 102 22.939 4.164 83.712 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.272 2.549 83.836 1.00 0.00 H new ATOM 0 HG LEU A 102 22.552 4.347 86.259 1.00 0.00 H new ATOM 0 HD11 LEU A 102 20.160 5.003 85.982 1.00 0.00 H new ATOM 0 HD12 LEU A 102 21.176 5.586 84.642 1.00 0.00 H new ATOM 0 HD13 LEU A 102 20.130 4.164 84.413 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.701 2.962 87.193 1.00 0.00 H new ATOM 0 HD22 LEU A 102 20.694 1.992 85.701 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.123 1.983 86.761 1.00 0.00 H new ATOM 1574 N THR A 103 23.201 0.651 85.243 1.00 0.00 N ATOM 1575 CA THR A 103 22.861 -0.550 86.041 1.00 0.00 C ATOM 1576 C THR A 103 22.843 -0.158 87.507 1.00 0.00 C ATOM 1577 O THR A 103 21.990 0.549 87.990 1.00 0.00 O ATOM 1578 CB THR A 103 23.916 -1.628 85.804 1.00 0.00 C ATOM 1579 OG1 THR A 103 23.958 -2.521 86.907 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.274 -0.958 85.623 1.00 0.00 C ATOM 0 H THR A 103 22.867 0.637 84.279 1.00 0.00 H new ATOM 0 HA THR A 103 21.886 -0.940 85.749 1.00 0.00 H new ATOM 0 HB THR A 103 23.664 -2.196 84.909 1.00 0.00 H new ATOM 0 HG1 THR A 103 24.636 -3.210 86.745 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.035 -1.719 85.453 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.236 -0.285 84.767 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.522 -0.391 86.520 1.00 0.00 H new ATOM 1588 N ALA A 104 23.802 -0.564 88.200 1.00 0.00 N ATOM 1589 CA ALA A 104 23.872 -0.222 89.623 1.00 0.00 C ATOM 1590 C ALA A 104 24.675 1.063 89.853 1.00 0.00 C ATOM 1591 O ALA A 104 24.482 1.754 90.833 1.00 0.00 O ATOM 1592 CB ALA A 104 24.559 -1.382 90.266 1.00 0.00 C ATOM 0 H ALA A 104 24.572 -1.135 87.852 1.00 0.00 H new ATOM 0 HA ALA A 104 22.880 -0.040 90.037 1.00 0.00 H new ATOM 0 HB1 ALA A 104 24.651 -1.202 91.337 1.00 0.00 H new ATOM 0 HB2 ALA A 104 23.977 -2.288 90.098 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.552 -1.503 89.832 1.00 0.00 H new ATOM 1598 N LEU A 105 25.601 1.361 88.991 1.00 0.00 N ATOM 1599 CA LEU A 105 26.453 2.557 89.191 1.00 0.00 C ATOM 1600 C LEU A 105 25.664 3.839 89.353 1.00 0.00 C ATOM 1601 O LEU A 105 25.687 4.458 90.396 1.00 0.00 O ATOM 1602 CB LEU A 105 27.350 2.750 87.987 1.00 0.00 C ATOM 1603 CG LEU A 105 28.032 1.454 87.614 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.016 1.726 86.472 1.00 0.00 C ATOM 1605 CD2 LEU A 105 28.767 0.908 88.828 1.00 0.00 C ATOM 0 H LEU A 105 25.805 0.822 88.150 1.00 0.00 H new ATOM 0 HA LEU A 105 27.013 2.371 90.107 1.00 0.00 H new ATOM 0 HB2 LEU A 105 26.762 3.113 87.144 1.00 0.00 H new ATOM 0 HB3 LEU A 105 28.099 3.511 88.204 1.00 0.00 H new ATOM 0 HG LEU A 105 27.297 0.718 87.288 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.515 0.798 86.193 1.00 0.00 H new ATOM 0 HD12 LEU A 105 28.475 2.120 85.612 1.00 0.00 H new ATOM 0 HD13 LEU A 105 29.759 2.454 86.798 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.261 -0.027 88.564 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.513 1.632 89.158 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.055 0.728 89.634 1.00 0.00 H new ATOM 1617 N GLU A 106 25.051 4.312 88.308 1.00 0.00 N ATOM 1618 CA GLU A 106 24.375 5.630 88.424 1.00 0.00 C ATOM 1619 C GLU A 106 23.037 5.430 89.128 1.00 0.00 C ATOM 1620 O GLU A 106 22.289 6.365 89.348 1.00 0.00 O ATOM 1621 CB GLU A 106 24.266 6.273 86.998 1.00 0.00 C ATOM 1622 CG GLU A 106 22.881 6.866 86.681 1.00 0.00 C ATOM 1623 CD GLU A 106 22.753 8.262 87.297 1.00 0.00 C ATOM 1624 OE1 GLU A 106 23.468 8.535 88.245 1.00 0.00 O ATOM 1625 OE2 GLU A 106 21.940 9.031 86.810 1.00 0.00 O ATOM 0 H GLU A 106 24.988 3.856 87.398 1.00 0.00 H new ATOM 0 HA GLU A 106 24.944 6.333 89.032 1.00 0.00 H new ATOM 0 HB2 GLU A 106 25.016 7.059 86.907 1.00 0.00 H new ATOM 0 HB3 GLU A 106 24.505 5.517 86.251 1.00 0.00 H new ATOM 0 HG2 GLU A 106 22.739 6.922 85.602 1.00 0.00 H new ATOM 0 HG3 GLU A 106 22.100 6.214 87.072 1.00 0.00 H new ATOM 1632 N ALA A 107 22.733 4.215 89.499 1.00 0.00 N ATOM 1633 CA ALA A 107 21.446 3.963 90.185 1.00 0.00 C ATOM 1634 C ALA A 107 21.434 4.508 91.614 1.00 0.00 C ATOM 1635 O ALA A 107 20.507 5.195 91.996 1.00 0.00 O ATOM 1636 CB ALA A 107 21.203 2.462 90.251 1.00 0.00 C ATOM 0 H ALA A 107 23.321 3.394 89.355 1.00 0.00 H new ATOM 0 HA ALA A 107 20.668 4.472 89.616 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.256 2.269 90.755 1.00 0.00 H new ATOM 0 HB2 ALA A 107 21.166 2.055 89.241 1.00 0.00 H new ATOM 0 HB3 ALA A 107 22.013 1.986 90.804 1.00 0.00 H new ATOM 1642 N THR A 108 22.387 4.164 92.446 1.00 0.00 N ATOM 1643 CA THR A 108 22.297 4.636 93.861 1.00 0.00 C ATOM 1644 C THR A 108 23.652 4.739 94.575 1.00 0.00 C ATOM 1645 O THR A 108 24.674 5.029 93.993 1.00 0.00 O ATOM 1646 CB THR A 108 21.459 3.599 94.588 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.182 4.046 95.907 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.234 2.277 94.631 1.00 0.00 C ATOM 0 H THR A 108 23.201 3.594 92.216 1.00 0.00 H new ATOM 0 HA THR A 108 21.875 5.641 93.864 1.00 0.00 H new ATOM 0 HB THR A 108 20.515 3.451 94.064 1.00 0.00 H new ATOM 0 HG1 THR A 108 20.640 3.375 96.373 1.00 0.00 H new ATOM 0 HG21 THR A 108 21.641 1.525 95.151 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.436 1.940 93.614 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.176 2.425 95.158 1.00 0.00 H new ATOM 1656 N ASP A 109 23.617 4.497 95.870 1.00 0.00 N ATOM 1657 CA ASP A 109 24.832 4.556 96.725 1.00 0.00 C ATOM 1658 C ASP A 109 24.756 3.488 97.816 1.00 0.00 C ATOM 1659 O ASP A 109 25.691 3.309 98.571 1.00 0.00 O ATOM 1660 CB ASP A 109 24.936 5.946 97.361 1.00 0.00 C ATOM 1661 CG ASP A 109 26.279 6.083 98.079 1.00 0.00 C ATOM 1662 OD1 ASP A 109 27.287 5.751 97.477 1.00 0.00 O ATOM 1663 OD2 ASP A 109 26.276 6.519 99.217 1.00 0.00 O ATOM 0 H ASP A 109 22.765 4.254 96.375 1.00 0.00 H new ATOM 0 HA ASP A 109 25.715 4.369 96.113 1.00 0.00 H new ATOM 0 HB2 ASP A 109 24.842 6.715 96.595 1.00 0.00 H new ATOM 0 HB3 ASP A 109 24.118 6.096 98.066 1.00 0.00 H new ATOM 1668 N ASN A 110 23.681 2.735 97.895 1.00 0.00 N ATOM 1669 CA ASN A 110 23.641 1.654 98.930 1.00 0.00 C ATOM 1670 C ASN A 110 24.454 0.492 98.357 1.00 0.00 C ATOM 1671 O ASN A 110 24.381 0.188 97.189 1.00 0.00 O ATOM 1672 CB ASN A 110 22.199 1.234 99.275 1.00 0.00 C ATOM 1673 CG ASN A 110 21.508 0.625 98.070 1.00 0.00 C ATOM 1674 OD1 ASN A 110 22.103 0.652 96.930 1.00 0.00 O flip ATOM 1675 ND2 ASN A 110 20.412 0.112 98.176 1.00 0.00 N flip ATOM 0 H ASN A 110 22.853 2.819 97.305 1.00 0.00 H new ATOM 0 HA ASN A 110 24.064 2.001 99.873 1.00 0.00 H new ATOM 0 HB2 ASN A 110 22.212 0.514 100.094 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.637 2.101 99.622 1.00 0.00 H new ATOM 0 HD21 ASN A 110 19.943 0.093 99.082 1.00 0.00 H new ATOM 0 HD22 ASN A 110 19.960 -0.299 97.359 1.00 0.00 H new ATOM 1682 N GLN A 111 25.290 -0.100 99.145 1.00 0.00 N ATOM 1683 CA GLN A 111 26.188 -1.168 98.620 1.00 0.00 C ATOM 1684 C GLN A 111 25.461 -2.486 98.282 1.00 0.00 C ATOM 1685 O GLN A 111 26.094 -3.471 97.972 1.00 0.00 O ATOM 1686 CB GLN A 111 27.290 -1.367 99.648 1.00 0.00 C ATOM 1687 CG GLN A 111 28.188 -2.562 99.277 1.00 0.00 C ATOM 1688 CD GLN A 111 29.576 -2.366 99.907 1.00 0.00 C ATOM 1689 OE1 GLN A 111 30.511 -1.973 99.235 1.00 0.00 O ATOM 1690 NE2 GLN A 111 29.751 -2.618 101.177 1.00 0.00 N ATOM 0 H GLN A 111 25.397 0.106 100.138 1.00 0.00 H new ATOM 0 HA GLN A 111 26.600 -0.850 97.663 1.00 0.00 H new ATOM 0 HB2 GLN A 111 27.894 -0.462 99.717 1.00 0.00 H new ATOM 0 HB3 GLN A 111 26.849 -1.532 100.631 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.742 -3.491 99.632 1.00 0.00 H new ATOM 0 HG3 GLN A 111 28.275 -2.644 98.194 1.00 0.00 H new ATOM 0 HE21 GLN A 111 28.970 -2.948 101.744 1.00 0.00 H new ATOM 0 HE22 GLN A 111 30.669 -2.485 101.602 1.00 0.00 H new ATOM 1699 N ALA A 112 24.151 -2.514 98.275 1.00 0.00 N ATOM 1700 CA ALA A 112 23.439 -3.776 97.893 1.00 0.00 C ATOM 1701 C ALA A 112 23.290 -3.787 96.373 1.00 0.00 C ATOM 1702 O ALA A 112 23.532 -4.771 95.689 1.00 0.00 O ATOM 1703 CB ALA A 112 22.060 -3.814 98.553 1.00 0.00 C ATOM 0 H ALA A 112 23.548 -1.727 98.514 1.00 0.00 H new ATOM 0 HA ALA A 112 24.003 -4.648 98.225 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.547 -4.734 98.272 1.00 0.00 H new ATOM 0 HB2 ALA A 112 22.174 -3.779 99.636 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.474 -2.956 98.222 1.00 0.00 H new ATOM 1709 N ILE A 113 22.940 -2.665 95.852 1.00 0.00 N ATOM 1710 CA ILE A 113 22.801 -2.502 94.384 1.00 0.00 C ATOM 1711 C ILE A 113 24.190 -2.598 93.802 1.00 0.00 C ATOM 1712 O ILE A 113 24.481 -3.348 92.885 1.00 0.00 O ATOM 1713 CB ILE A 113 22.260 -1.076 94.139 1.00 0.00 C ATOM 1714 CG1 ILE A 113 20.720 -1.050 94.166 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.758 -0.506 92.803 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.198 -1.017 95.602 1.00 0.00 C ATOM 0 H ILE A 113 22.737 -1.824 96.392 1.00 0.00 H new ATOM 0 HA ILE A 113 22.141 -3.248 93.941 1.00 0.00 H new ATOM 0 HB ILE A 113 22.639 -0.452 94.948 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.358 -0.177 93.623 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.329 -1.929 93.653 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.358 0.498 92.664 1.00 0.00 H new ATOM 0 HG22 ILE A 113 23.847 -0.465 92.808 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.423 -1.146 91.987 1.00 0.00 H new ATOM 0 HD11 ILE A 113 19.108 -0.999 95.593 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.542 -1.904 96.135 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.571 -0.125 96.104 1.00 0.00 H new ATOM 1728 N LYS A 114 25.032 -1.799 94.343 1.00 0.00 N ATOM 1729 CA LYS A 114 26.413 -1.737 93.880 1.00 0.00 C ATOM 1730 C LYS A 114 26.997 -3.145 93.978 1.00 0.00 C ATOM 1731 O LYS A 114 28.044 -3.446 93.433 1.00 0.00 O ATOM 1732 CB LYS A 114 27.176 -0.681 94.707 1.00 0.00 C ATOM 1733 CG LYS A 114 26.250 0.548 95.047 1.00 0.00 C ATOM 1734 CD LYS A 114 26.684 1.840 94.343 1.00 0.00 C ATOM 1735 CE LYS A 114 26.561 1.735 92.812 1.00 0.00 C ATOM 1736 NZ LYS A 114 27.920 1.828 92.212 1.00 0.00 N ATOM 0 H LYS A 114 24.811 -1.166 95.112 1.00 0.00 H new ATOM 0 HA LYS A 114 26.493 -1.420 92.840 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.542 -1.131 95.630 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.049 -0.340 94.151 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.225 0.313 94.762 1.00 0.00 H new ATOM 0 HG3 LYS A 114 26.252 0.710 96.125 1.00 0.00 H new ATOM 0 HD2 LYS A 114 26.073 2.669 94.699 1.00 0.00 H new ATOM 0 HD3 LYS A 114 27.716 2.068 94.609 1.00 0.00 H new ATOM 0 HE2 LYS A 114 26.091 0.791 92.535 1.00 0.00 H new ATOM 0 HE3 LYS A 114 25.924 2.533 92.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 27.961 1.242 91.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 28.124 2.818 91.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 28.626 1.489 92.897 1.00 0.00 H new ATOM 1750 N ALA A 115 26.275 -4.036 94.612 1.00 0.00 N ATOM 1751 CA ALA A 115 26.731 -5.432 94.671 1.00 0.00 C ATOM 1752 C ALA A 115 26.647 -5.982 93.250 1.00 0.00 C ATOM 1753 O ALA A 115 27.512 -6.702 92.808 1.00 0.00 O ATOM 1754 CB ALA A 115 25.843 -6.252 95.614 1.00 0.00 C ATOM 0 H ALA A 115 25.393 -3.844 95.086 1.00 0.00 H new ATOM 0 HA ALA A 115 27.749 -5.491 95.055 1.00 0.00 H new ATOM 0 HB1 ALA A 115 26.198 -7.282 95.643 1.00 0.00 H new ATOM 0 HB2 ALA A 115 25.885 -5.825 96.616 1.00 0.00 H new ATOM 0 HB3 ALA A 115 24.814 -6.232 95.254 1.00 0.00 H new ATOM 1760 N LEU A 116 25.617 -5.628 92.504 1.00 0.00 N ATOM 1761 CA LEU A 116 25.550 -6.139 91.100 1.00 0.00 C ATOM 1762 C LEU A 116 26.669 -5.553 90.244 1.00 0.00 C ATOM 1763 O LEU A 116 27.055 -6.141 89.252 1.00 0.00 O ATOM 1764 CB LEU A 116 24.173 -5.851 90.433 1.00 0.00 C ATOM 1765 CG LEU A 116 23.262 -7.096 90.435 1.00 0.00 C ATOM 1766 CD1 LEU A 116 22.008 -6.789 89.592 1.00 0.00 C ATOM 1767 CD2 LEU A 116 24.012 -8.296 89.798 1.00 0.00 C ATOM 0 H LEU A 116 24.847 -5.027 92.799 1.00 0.00 H new ATOM 0 HA LEU A 116 25.676 -7.220 91.160 1.00 0.00 H new ATOM 0 HB2 LEU A 116 23.677 -5.037 90.961 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.329 -5.517 89.407 1.00 0.00 H new ATOM 0 HG LEU A 116 22.984 -7.345 91.459 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.353 -7.660 89.583 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.478 -5.941 90.024 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.306 -6.549 88.571 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.365 -9.173 89.802 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.285 -8.051 88.772 1.00 0.00 H new ATOM 0 HD23 LEU A 116 24.914 -8.508 90.373 1.00 0.00 H new ATOM 1779 N LEU A 117 27.201 -4.425 90.590 1.00 0.00 N ATOM 1780 CA LEU A 117 28.293 -3.869 89.751 1.00 0.00 C ATOM 1781 C LEU A 117 29.565 -4.659 90.069 1.00 0.00 C ATOM 1782 O LEU A 117 30.626 -4.423 89.535 1.00 0.00 O ATOM 1783 CB LEU A 117 28.416 -2.354 90.031 1.00 0.00 C ATOM 1784 CG LEU A 117 29.555 -2.007 91.031 1.00 0.00 C ATOM 1785 CD1 LEU A 117 30.935 -1.955 90.316 1.00 0.00 C ATOM 1786 CD2 LEU A 117 29.269 -0.639 91.703 1.00 0.00 C ATOM 0 H LEU A 117 26.936 -3.868 91.403 1.00 0.00 H new ATOM 0 HA LEU A 117 28.097 -3.969 88.684 1.00 0.00 H new ATOM 0 HB2 LEU A 117 28.594 -1.831 89.092 1.00 0.00 H new ATOM 0 HB3 LEU A 117 27.469 -1.986 90.426 1.00 0.00 H new ATOM 0 HG LEU A 117 29.588 -2.790 91.788 1.00 0.00 H new ATOM 0 HD11 LEU A 117 31.711 -1.710 91.041 1.00 0.00 H new ATOM 0 HD12 LEU A 117 31.150 -2.925 89.868 1.00 0.00 H new ATOM 0 HD13 LEU A 117 30.913 -1.193 89.537 1.00 0.00 H new ATOM 0 HD21 LEU A 117 30.071 -0.402 92.402 1.00 0.00 H new ATOM 0 HD22 LEU A 117 29.213 0.137 90.939 1.00 0.00 H new ATOM 0 HD23 LEU A 117 28.322 -0.689 92.240 1.00 0.00 H new ATOM 1798 N GLN A 118 29.434 -5.645 90.910 1.00 0.00 N ATOM 1799 CA GLN A 118 30.599 -6.496 91.251 1.00 0.00 C ATOM 1800 C GLN A 118 31.096 -7.174 89.974 1.00 0.00 C ATOM 1801 O GLN A 118 30.521 -6.909 88.931 1.00 0.00 O ATOM 1802 CB GLN A 118 30.152 -7.580 92.239 1.00 0.00 C ATOM 1803 CG GLN A 118 29.061 -8.452 91.599 1.00 0.00 C ATOM 1804 CD GLN A 118 29.684 -9.553 90.737 1.00 0.00 C ATOM 1805 OE1 GLN A 118 30.459 -10.357 91.217 1.00 0.00 O ATOM 1806 NE2 GLN A 118 29.373 -9.621 89.473 1.00 0.00 N ATOM 1807 OXT GLN A 118 32.033 -7.948 90.060 1.00 0.00 O ATOM 0 H GLN A 118 28.563 -5.897 91.377 1.00 0.00 H new ATOM 0 HA GLN A 118 31.390 -5.890 91.693 1.00 0.00 H new ATOM 0 HB2 GLN A 118 31.003 -8.198 92.524 1.00 0.00 H new ATOM 0 HB3 GLN A 118 29.773 -7.119 93.151 1.00 0.00 H new ATOM 0 HG2 GLN A 118 28.443 -8.899 92.377 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.405 -7.832 90.988 1.00 0.00 H new ATOM 0 HE21 GLN A 118 28.723 -8.946 89.071 1.00 0.00 H new ATOM 0 HE22 GLN A 118 29.780 -10.349 88.886 1.00 0.00 H new