USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 604 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 55 ASN : amide:sc= 2.92 K(o=3.9,f=-10!) USER MOD Set 1.2: A 62 TYR OH : rot 30:sc= 0.98 USER MOD Set 2.1: A 32 CYS SG : rot 114:sc= 0.508 USER MOD Set 2.2: A 36 LYS NZ :NH3+ -159:sc= 0.0382 (180deg=0) USER MOD Single : A 7 SER OG : rot 42:sc= 0.342 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0368 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 165:sc= 0.793 (180deg=0.635) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0.36) USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 36:sc= 0.00378 USER MOD Single : A 28 HIS : no HD1:sc= -3.51! C(o=-3.5!,f=-5!) USER MOD Single : A 30 SER OG : rot 180:sc= 0.00185 USER MOD Single : A 35 LYS NZ :NH3+ 166:sc= 1.05 (180deg=0.926) USER MOD Single : A 37 GLN : amide:sc= 1.15 K(o=1.2,f=-1.1) USER MOD Single : A 39 MET CE :methyl -169:sc= -0.0273 (180deg=-0.254) USER MOD Single : A 43 LYS NZ :NH3+ 147:sc= 1.27 (180deg=0.82) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 21:sc= 0.637 USER MOD Single : A 52 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.21) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.306 USER MOD Single : A 57 GLN :FLIP amide:sc= -0.0317 F(o=-0.96,f=-0.032) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.33 USER MOD Single : A 59 LYS NZ :NH3+ -162:sc= -0.136 (180deg=-0.649) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0562 USER MOD Single : A 66 ASN : amide:sc= 1.05 K(o=1.1,f=-0.51) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 73 SER OG : rot 180:sc= -0.486 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 7 -14.013 3.582 -2.276 1.00 0.00 N ATOM 79 CA SER A 7 -13.343 2.447 -1.801 1.00 0.00 C ATOM 80 C SER A 7 -12.089 2.934 -1.121 1.00 0.00 C ATOM 81 O SER A 7 -11.303 3.658 -1.724 1.00 0.00 O ATOM 82 CB SER A 7 -13.030 1.570 -2.995 1.00 0.00 C ATOM 83 OG SER A 7 -14.215 1.337 -3.753 1.00 0.00 O ATOM 0 HA SER A 7 -13.931 1.866 -1.091 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.277 2.049 -3.621 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.610 0.621 -2.660 1.00 0.00 H new ATOM 0 HG SER A 7 -14.731 2.168 -3.818 1.00 0.00 H new ATOM 89 N CYS A 8 -11.931 2.615 0.123 1.00 0.00 N ATOM 90 CA CYS A 8 -10.803 3.094 0.848 1.00 0.00 C ATOM 91 C CYS A 8 -10.149 1.995 1.632 1.00 0.00 C ATOM 92 O CYS A 8 -10.822 1.185 2.258 1.00 0.00 O ATOM 93 CB CYS A 8 -11.202 4.276 1.751 1.00 0.00 C ATOM 94 SG CYS A 8 -12.577 3.934 2.880 1.00 0.00 S ATOM 0 H CYS A 8 -12.569 2.025 0.657 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.067 3.455 0.130 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.334 4.577 2.338 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -11.470 5.124 1.120 1.00 0.00 H new ATOM 0 HG CYS A 8 -12.827 4.992 3.592 1.00 0.00 H new ATOM 100 N VAL A 9 -8.859 1.945 1.556 1.00 0.00 N ATOM 101 CA VAL A 9 -8.092 1.007 2.321 1.00 0.00 C ATOM 102 C VAL A 9 -7.394 1.758 3.408 1.00 0.00 C ATOM 103 O VAL A 9 -6.699 2.755 3.137 1.00 0.00 O ATOM 104 CB VAL A 9 -7.034 0.243 1.458 1.00 0.00 C ATOM 105 CG1 VAL A 9 -6.065 -0.534 2.340 1.00 0.00 C ATOM 106 CG2 VAL A 9 -7.714 -0.729 0.531 1.00 0.00 C ATOM 0 H VAL A 9 -8.301 2.556 0.959 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.774 0.257 2.722 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.485 0.988 0.883 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.341 -1.055 1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.542 0.156 3.002 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.618 -1.260 2.936 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.964 -1.252 -0.062 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.283 -1.452 1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.388 -0.188 -0.133 1.00 0.00 H new ATOM 116 N HIS A 10 -7.635 1.343 4.616 1.00 0.00 N ATOM 117 CA HIS A 10 -6.958 1.879 5.742 1.00 0.00 C ATOM 118 C HIS A 10 -5.591 1.273 5.820 1.00 0.00 C ATOM 119 O HIS A 10 -5.438 0.063 5.996 1.00 0.00 O ATOM 120 CB HIS A 10 -7.743 1.650 7.037 1.00 0.00 C ATOM 121 CG HIS A 10 -8.896 2.598 7.219 1.00 0.00 C ATOM 122 ND1 HIS A 10 -8.898 3.657 8.114 1.00 0.00 N ATOM 123 CD2 HIS A 10 -10.099 2.646 6.592 1.00 0.00 C ATOM 124 CE1 HIS A 10 -10.061 4.292 8.002 1.00 0.00 C ATOM 125 NE2 HIS A 10 -10.833 3.721 7.088 1.00 0.00 N ATOM 0 H HIS A 10 -8.314 0.616 4.842 1.00 0.00 H new ATOM 0 HA HIS A 10 -6.869 2.959 5.621 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -8.120 0.627 7.047 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.065 1.749 7.885 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -10.434 1.959 5.829 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -10.340 5.160 8.581 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -11.770 4.009 6.806 1.00 0.00 H new ATOM 133 N TYR A 11 -4.610 2.086 5.641 1.00 0.00 N ATOM 134 CA TYR A 11 -3.260 1.640 5.674 1.00 0.00 C ATOM 135 C TYR A 11 -2.500 2.455 6.688 1.00 0.00 C ATOM 136 O TYR A 11 -2.640 3.673 6.730 1.00 0.00 O ATOM 137 CB TYR A 11 -2.606 1.745 4.268 1.00 0.00 C ATOM 138 CG TYR A 11 -2.395 3.166 3.716 1.00 0.00 C ATOM 139 CD1 TYR A 11 -1.206 3.870 3.959 1.00 0.00 C ATOM 140 CD2 TYR A 11 -3.364 3.784 2.946 1.00 0.00 C ATOM 141 CE1 TYR A 11 -1.004 5.133 3.462 1.00 0.00 C ATOM 142 CE2 TYR A 11 -3.163 5.056 2.442 1.00 0.00 C ATOM 143 CZ TYR A 11 -1.985 5.723 2.700 1.00 0.00 C ATOM 144 OH TYR A 11 -1.791 6.985 2.199 1.00 0.00 O ATOM 0 H TYR A 11 -4.721 3.085 5.467 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.233 0.590 5.964 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.638 1.245 4.303 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.225 1.192 3.561 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.431 3.407 4.552 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -4.289 3.267 2.736 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.083 5.659 3.667 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -3.930 5.527 1.845 1.00 0.00 H new ATOM 0 HH TYR A 11 -2.578 7.256 1.682 1.00 0.00 H new ATOM 154 N LYS A 12 -1.761 1.826 7.542 1.00 0.00 N ATOM 155 CA LYS A 12 -0.962 2.592 8.442 1.00 0.00 C ATOM 156 C LYS A 12 0.472 2.299 8.196 1.00 0.00 C ATOM 157 O LYS A 12 0.880 1.144 8.067 1.00 0.00 O ATOM 158 CB LYS A 12 -1.340 2.454 9.933 1.00 0.00 C ATOM 159 CG LYS A 12 -0.973 1.158 10.619 1.00 0.00 C ATOM 160 CD LYS A 12 -1.352 1.237 12.087 1.00 0.00 C ATOM 161 CE LYS A 12 -0.939 -0.006 12.853 1.00 0.00 C ATOM 162 NZ LYS A 12 -1.439 0.015 14.247 1.00 0.00 N ATOM 0 H LYS A 12 -1.693 0.813 7.636 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.167 3.641 8.227 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.868 3.271 10.479 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.418 2.591 10.023 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.489 0.324 10.144 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.096 0.971 10.518 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.881 2.112 12.536 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.430 1.375 12.175 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.321 -0.891 12.343 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.148 -0.085 12.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.136 -0.851 14.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.055 0.845 14.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.478 0.065 14.243 1.00 0.00 H new ATOM 176 N PHE A 13 1.215 3.326 8.081 1.00 0.00 N ATOM 177 CA PHE A 13 2.598 3.228 7.793 1.00 0.00 C ATOM 178 C PHE A 13 3.326 3.049 9.102 1.00 0.00 C ATOM 179 O PHE A 13 2.811 3.445 10.154 1.00 0.00 O ATOM 180 CB PHE A 13 3.043 4.534 7.154 1.00 0.00 C ATOM 181 CG PHE A 13 4.055 4.406 6.069 1.00 0.00 C ATOM 182 CD1 PHE A 13 5.331 3.942 6.321 1.00 0.00 C ATOM 183 CD2 PHE A 13 3.713 4.751 4.783 1.00 0.00 C ATOM 184 CE1 PHE A 13 6.242 3.814 5.306 1.00 0.00 C ATOM 185 CE2 PHE A 13 4.614 4.637 3.763 1.00 0.00 C ATOM 186 CZ PHE A 13 5.884 4.160 4.023 1.00 0.00 C ATOM 0 H PHE A 13 0.877 4.283 8.186 1.00 0.00 H new ATOM 0 HA PHE A 13 2.805 2.394 7.122 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.165 5.038 6.750 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.451 5.179 7.933 1.00 0.00 H new ATOM 0 HD1 PHE A 13 5.614 3.677 7.329 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.718 5.117 4.576 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.236 3.444 5.511 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.335 4.918 2.758 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.597 4.058 3.218 1.00 0.00 H new ATOM 196 N SER A 14 4.501 2.484 9.045 1.00 0.00 N ATOM 197 CA SER A 14 5.351 2.343 10.199 1.00 0.00 C ATOM 198 C SER A 14 5.698 3.727 10.788 1.00 0.00 C ATOM 199 O SER A 14 5.919 3.872 11.990 1.00 0.00 O ATOM 200 CB SER A 14 6.597 1.584 9.766 1.00 0.00 C ATOM 201 OG SER A 14 7.054 2.083 8.509 1.00 0.00 O ATOM 0 H SER A 14 4.901 2.104 8.187 1.00 0.00 H new ATOM 0 HA SER A 14 4.843 1.788 10.988 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.379 1.692 10.517 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.377 0.519 9.687 1.00 0.00 H new ATOM 0 HG SER A 14 7.857 1.593 8.235 1.00 0.00 H new ATOM 207 N SER A 15 5.700 4.735 9.928 1.00 0.00 N ATOM 208 CA SER A 15 5.978 6.104 10.311 1.00 0.00 C ATOM 209 C SER A 15 4.671 6.911 10.549 1.00 0.00 C ATOM 210 O SER A 15 4.711 8.116 10.732 1.00 0.00 O ATOM 211 CB SER A 15 6.817 6.757 9.214 1.00 0.00 C ATOM 212 OG SER A 15 7.992 5.988 8.966 1.00 0.00 O ATOM 0 H SER A 15 5.506 4.620 8.933 1.00 0.00 H new ATOM 0 HA SER A 15 6.527 6.102 11.253 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.230 6.842 8.300 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.092 7.769 9.511 1.00 0.00 H new ATOM 0 HG SER A 15 8.520 6.416 8.260 1.00 0.00 H new ATOM 218 N LYS A 16 3.532 6.238 10.548 1.00 0.00 N ATOM 219 CA LYS A 16 2.249 6.896 10.795 1.00 0.00 C ATOM 220 C LYS A 16 1.726 6.491 12.157 1.00 0.00 C ATOM 221 O LYS A 16 2.113 5.450 12.695 1.00 0.00 O ATOM 222 CB LYS A 16 1.202 6.569 9.701 1.00 0.00 C ATOM 223 CG LYS A 16 1.063 7.596 8.546 1.00 0.00 C ATOM 224 CD LYS A 16 2.365 7.861 7.795 1.00 0.00 C ATOM 225 CE LYS A 16 2.158 8.728 6.536 1.00 0.00 C ATOM 226 NZ LYS A 16 1.727 10.125 6.816 1.00 0.00 N ATOM 0 H LYS A 16 3.464 5.234 10.379 1.00 0.00 H new ATOM 0 HA LYS A 16 2.416 7.973 10.767 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.452 5.601 9.268 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.229 6.462 10.181 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.315 7.235 7.840 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.691 8.537 8.952 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.070 8.358 8.462 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.814 6.910 7.507 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.090 8.754 5.971 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.412 8.251 5.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.854 10.705 5.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.724 10.130 7.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.301 10.517 7.590 1.00 0.00 H new ATOM 240 N LEU A 17 0.871 7.304 12.717 1.00 0.00 N ATOM 241 CA LEU A 17 0.319 7.034 14.028 1.00 0.00 C ATOM 242 C LEU A 17 -1.010 6.306 13.907 1.00 0.00 C ATOM 243 O LEU A 17 -1.349 5.456 14.731 1.00 0.00 O ATOM 244 CB LEU A 17 0.147 8.340 14.815 1.00 0.00 C ATOM 245 CG LEU A 17 1.431 9.149 15.076 1.00 0.00 C ATOM 246 CD1 LEU A 17 1.110 10.433 15.821 1.00 0.00 C ATOM 247 CD2 LEU A 17 2.448 8.322 15.858 1.00 0.00 C ATOM 0 H LEU A 17 0.536 8.166 12.286 1.00 0.00 H new ATOM 0 HA LEU A 17 1.014 6.393 14.570 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.555 8.976 14.275 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.311 8.104 15.776 1.00 0.00 H new ATOM 0 HG LEU A 17 1.869 9.406 14.112 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.029 10.991 15.997 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.426 11.038 15.226 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.644 10.192 16.776 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.346 8.916 16.029 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.019 8.029 16.816 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.707 7.430 15.288 1.00 0.00 H new ATOM 259 N ASN A 18 -1.750 6.630 12.881 1.00 0.00 N ATOM 260 CA ASN A 18 -3.052 6.027 12.638 1.00 0.00 C ATOM 261 C ASN A 18 -3.146 5.619 11.183 1.00 0.00 C ATOM 262 O ASN A 18 -2.218 5.888 10.405 1.00 0.00 O ATOM 263 CB ASN A 18 -4.202 6.995 12.999 1.00 0.00 C ATOM 264 CG ASN A 18 -4.189 8.290 12.199 1.00 0.00 C ATOM 265 OD1 ASN A 18 -4.758 8.376 11.112 1.00 0.00 O ATOM 266 ND2 ASN A 18 -3.584 9.306 12.738 1.00 0.00 N ATOM 0 H ASN A 18 -1.475 7.321 12.183 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.153 5.149 13.276 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.154 6.489 12.838 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.143 7.234 14.061 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.572 10.206 12.258 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.121 9.203 13.641 1.00 0.00 H new ATOM 273 N TYR A 19 -4.235 4.979 10.805 1.00 0.00 N ATOM 274 CA TYR A 19 -4.404 4.549 9.428 1.00 0.00 C ATOM 275 C TYR A 19 -4.789 5.710 8.529 1.00 0.00 C ATOM 276 O TYR A 19 -5.556 6.595 8.917 1.00 0.00 O ATOM 277 CB TYR A 19 -5.446 3.430 9.281 1.00 0.00 C ATOM 278 CG TYR A 19 -5.071 2.080 9.893 1.00 0.00 C ATOM 279 CD1 TYR A 19 -5.234 1.833 11.240 1.00 0.00 C ATOM 280 CD2 TYR A 19 -4.573 1.051 9.107 1.00 0.00 C ATOM 281 CE1 TYR A 19 -4.907 0.615 11.793 1.00 0.00 C ATOM 282 CE2 TYR A 19 -4.241 -0.176 9.650 1.00 0.00 C ATOM 283 CZ TYR A 19 -4.415 -0.388 10.997 1.00 0.00 C ATOM 284 OH TYR A 19 -4.075 -1.605 11.557 1.00 0.00 O ATOM 0 H TYR A 19 -5.011 4.746 11.425 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.436 4.154 9.119 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.378 3.766 9.736 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.644 3.283 8.219 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.627 2.613 11.876 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.442 1.212 8.047 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.038 0.450 12.852 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.848 -0.961 9.021 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.641 -1.775 12.338 1.00 0.00 H new ATOM 294 N ASP A 20 -4.257 5.699 7.358 1.00 0.00 N ATOM 295 CA ASP A 20 -4.550 6.681 6.346 1.00 0.00 C ATOM 296 C ASP A 20 -5.386 5.951 5.307 1.00 0.00 C ATOM 297 O ASP A 20 -5.588 4.741 5.441 1.00 0.00 O ATOM 298 CB ASP A 20 -3.249 7.172 5.728 1.00 0.00 C ATOM 299 CG ASP A 20 -3.347 8.542 5.071 1.00 0.00 C ATOM 300 OD1 ASP A 20 -4.320 8.825 4.353 1.00 0.00 O ATOM 301 OD2 ASP A 20 -2.418 9.358 5.242 1.00 0.00 O ATOM 0 H ASP A 20 -3.586 4.992 7.058 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.075 7.548 6.746 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.483 7.207 6.502 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.917 6.448 4.984 1.00 0.00 H new ATOM 306 N THR A 21 -5.844 6.617 4.289 1.00 0.00 N ATOM 307 CA THR A 21 -6.714 5.981 3.340 1.00 0.00 C ATOM 308 C THR A 21 -6.391 6.302 1.885 1.00 0.00 C ATOM 309 O THR A 21 -6.074 7.445 1.524 1.00 0.00 O ATOM 310 CB THR A 21 -8.191 6.333 3.606 1.00 0.00 C ATOM 311 OG1 THR A 21 -8.334 7.738 3.834 1.00 0.00 O ATOM 312 CG2 THR A 21 -8.774 5.546 4.762 1.00 0.00 C ATOM 0 H THR A 21 -5.632 7.595 4.093 1.00 0.00 H new ATOM 0 HA THR A 21 -6.544 4.914 3.486 1.00 0.00 H new ATOM 0 HB THR A 21 -8.754 6.054 2.715 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.277 7.948 4.000 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.816 5.831 4.908 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.717 4.480 4.542 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.209 5.760 5.669 1.00 0.00 H new ATOM 320 N VAL A 22 -6.423 5.279 1.072 1.00 0.00 N ATOM 321 CA VAL A 22 -6.395 5.447 -0.362 1.00 0.00 C ATOM 322 C VAL A 22 -7.802 5.347 -0.870 1.00 0.00 C ATOM 323 O VAL A 22 -8.488 4.366 -0.589 1.00 0.00 O ATOM 324 CB VAL A 22 -5.511 4.407 -1.130 1.00 0.00 C ATOM 325 CG1 VAL A 22 -4.066 4.829 -1.171 1.00 0.00 C ATOM 326 CG2 VAL A 22 -5.629 3.008 -0.525 1.00 0.00 C ATOM 0 H VAL A 22 -6.469 4.308 1.381 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.943 6.421 -0.550 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.889 4.372 -2.152 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.484 4.083 -1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.982 5.791 -1.677 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.684 4.919 -0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.001 2.315 -1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.304 3.033 0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.667 2.677 -0.573 1.00 0.00 H new ATOM 336 N THR A 23 -8.256 6.364 -1.534 1.00 0.00 N ATOM 337 CA THR A 23 -9.540 6.328 -2.136 1.00 0.00 C ATOM 338 C THR A 23 -9.401 5.880 -3.579 1.00 0.00 C ATOM 339 O THR A 23 -8.609 6.444 -4.354 1.00 0.00 O ATOM 340 CB THR A 23 -10.273 7.684 -2.016 1.00 0.00 C ATOM 341 OG1 THR A 23 -9.395 8.756 -2.395 1.00 0.00 O ATOM 342 CG2 THR A 23 -10.757 7.906 -0.591 1.00 0.00 C ATOM 0 H THR A 23 -7.745 7.236 -1.670 1.00 0.00 H new ATOM 0 HA THR A 23 -10.160 5.607 -1.603 1.00 0.00 H new ATOM 0 HB THR A 23 -11.134 7.667 -2.684 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.820 8.463 -3.133 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.270 8.865 -0.526 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.444 7.107 -0.312 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.904 7.905 0.087 1.00 0.00 H new ATOM 350 N PHE A 24 -10.092 4.841 -3.902 1.00 0.00 N ATOM 351 CA PHE A 24 -10.060 4.243 -5.209 1.00 0.00 C ATOM 352 C PHE A 24 -11.471 3.814 -5.554 1.00 0.00 C ATOM 353 O PHE A 24 -12.374 4.019 -4.737 1.00 0.00 O ATOM 354 CB PHE A 24 -9.024 3.083 -5.265 1.00 0.00 C ATOM 355 CG PHE A 24 -9.263 1.979 -4.280 1.00 0.00 C ATOM 356 CD1 PHE A 24 -8.769 2.085 -3.004 1.00 0.00 C ATOM 357 CD2 PHE A 24 -9.973 0.837 -4.628 1.00 0.00 C ATOM 358 CE1 PHE A 24 -8.970 1.098 -2.090 1.00 0.00 C ATOM 359 CE2 PHE A 24 -10.177 -0.163 -3.708 1.00 0.00 C ATOM 360 CZ PHE A 24 -9.675 -0.034 -2.439 1.00 0.00 C ATOM 0 H PHE A 24 -10.716 4.364 -3.251 1.00 0.00 H new ATOM 0 HA PHE A 24 -9.724 4.957 -5.961 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.026 2.661 -6.270 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -8.029 3.494 -5.094 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.212 2.966 -2.721 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -10.367 0.734 -5.628 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -8.577 1.201 -1.089 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -10.731 -1.048 -3.984 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.832 -0.818 -1.713 1.00 0.00 H new ATOM 370 N ASP A 25 -11.691 3.290 -6.724 1.00 0.00 N ATOM 371 CA ASP A 25 -13.046 2.958 -7.148 1.00 0.00 C ATOM 372 C ASP A 25 -13.207 1.488 -7.459 1.00 0.00 C ATOM 373 O ASP A 25 -12.524 0.944 -8.340 1.00 0.00 O ATOM 374 CB ASP A 25 -13.419 3.786 -8.370 1.00 0.00 C ATOM 375 CG ASP A 25 -14.799 3.484 -8.922 1.00 0.00 C ATOM 376 OD1 ASP A 25 -15.793 4.044 -8.414 1.00 0.00 O ATOM 377 OD2 ASP A 25 -14.907 2.713 -9.908 1.00 0.00 O ATOM 0 H ASP A 25 -10.964 3.079 -7.408 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.714 3.191 -6.319 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.366 4.843 -8.110 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.680 3.613 -9.153 1.00 0.00 H new ATOM 382 N GLY A 26 -14.071 0.843 -6.724 1.00 0.00 N ATOM 383 CA GLY A 26 -14.403 -0.527 -7.003 1.00 0.00 C ATOM 384 C GLY A 26 -14.428 -1.384 -5.770 1.00 0.00 C ATOM 385 O GLY A 26 -15.276 -1.208 -4.883 1.00 0.00 O ATOM 0 H GLY A 26 -14.559 1.246 -5.924 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.378 -0.568 -7.488 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.679 -0.935 -7.708 1.00 0.00 H new ATOM 389 N LEU A 27 -13.516 -2.306 -5.705 1.00 0.00 N ATOM 390 CA LEU A 27 -13.437 -3.205 -4.590 1.00 0.00 C ATOM 391 C LEU A 27 -12.005 -3.258 -4.096 1.00 0.00 C ATOM 392 O LEU A 27 -11.744 -3.164 -2.898 1.00 0.00 O ATOM 393 CB LEU A 27 -13.953 -4.616 -5.014 1.00 0.00 C ATOM 394 CG LEU A 27 -14.310 -5.642 -3.898 1.00 0.00 C ATOM 395 CD1 LEU A 27 -13.091 -6.154 -3.148 1.00 0.00 C ATOM 396 CD2 LEU A 27 -15.309 -5.041 -2.928 1.00 0.00 C ATOM 0 H LEU A 27 -12.806 -2.458 -6.421 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.068 -2.853 -3.774 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.841 -4.473 -5.630 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.193 -5.069 -5.651 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.756 -6.502 -4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.406 -6.865 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.415 -6.647 -3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.577 -5.317 -2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.549 -5.770 -2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.879 -4.151 -2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.218 -4.769 -3.464 1.00 0.00 H new ATOM 408 N HIS A 28 -11.075 -3.372 -5.014 1.00 0.00 N ATOM 409 CA HIS A 28 -9.679 -3.514 -4.649 1.00 0.00 C ATOM 410 C HIS A 28 -8.734 -2.767 -5.540 1.00 0.00 C ATOM 411 O HIS A 28 -9.075 -2.365 -6.657 1.00 0.00 O ATOM 412 CB HIS A 28 -9.254 -4.980 -4.500 1.00 0.00 C ATOM 413 CG HIS A 28 -9.752 -5.922 -5.540 1.00 0.00 C ATOM 414 ND1 HIS A 28 -10.313 -7.129 -5.219 1.00 0.00 N ATOM 415 CD2 HIS A 28 -9.735 -5.853 -6.890 1.00 0.00 C ATOM 416 CE1 HIS A 28 -10.624 -7.753 -6.348 1.00 0.00 C ATOM 417 NE2 HIS A 28 -10.289 -7.017 -7.407 1.00 0.00 N ATOM 0 H HIS A 28 -11.255 -3.370 -6.018 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.607 -3.044 -3.668 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -8.165 -5.021 -4.495 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.591 -5.336 -3.527 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.353 -5.027 -7.472 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.087 -8.727 -6.401 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.413 -7.258 -8.390 1.00 0.00 H new ATOM 425 N ILE A 29 -7.557 -2.573 -5.029 1.00 0.00 N ATOM 426 CA ILE A 29 -6.529 -1.879 -5.713 1.00 0.00 C ATOM 427 C ILE A 29 -5.272 -2.717 -5.804 1.00 0.00 C ATOM 428 O ILE A 29 -4.817 -3.293 -4.811 1.00 0.00 O ATOM 429 CB ILE A 29 -6.245 -0.485 -5.067 1.00 0.00 C ATOM 430 CG1 ILE A 29 -5.051 0.197 -5.721 1.00 0.00 C ATOM 431 CG2 ILE A 29 -6.026 -0.595 -3.560 1.00 0.00 C ATOM 432 CD1 ILE A 29 -4.906 1.645 -5.339 1.00 0.00 C ATOM 0 H ILE A 29 -7.286 -2.904 -4.103 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.877 -1.695 -6.729 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.130 0.128 -5.238 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.141 -0.337 -5.445 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.148 0.123 -6.804 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.831 0.395 -3.147 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.917 -1.014 -3.093 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.173 -1.244 -3.363 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.036 2.068 -5.841 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.800 2.192 -5.640 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.777 1.725 -4.260 1.00 0.00 H new ATOM 444 N SER A 30 -4.776 -2.849 -7.003 1.00 0.00 N ATOM 445 CA SER A 30 -3.533 -3.503 -7.267 1.00 0.00 C ATOM 446 C SER A 30 -2.406 -2.792 -6.502 1.00 0.00 C ATOM 447 O SER A 30 -2.349 -1.553 -6.452 1.00 0.00 O ATOM 448 CB SER A 30 -3.270 -3.464 -8.761 1.00 0.00 C ATOM 449 OG SER A 30 -4.383 -3.991 -9.475 1.00 0.00 O ATOM 0 H SER A 30 -5.239 -2.495 -7.840 1.00 0.00 H new ATOM 0 HA SER A 30 -3.574 -4.541 -6.936 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.080 -2.438 -9.077 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.375 -4.040 -8.994 1.00 0.00 H new ATOM 0 HG SER A 30 -4.200 -3.958 -10.437 1.00 0.00 H new ATOM 455 N LEU A 31 -1.534 -3.579 -5.930 1.00 0.00 N ATOM 456 CA LEU A 31 -0.454 -3.125 -5.090 1.00 0.00 C ATOM 457 C LEU A 31 0.424 -2.092 -5.773 1.00 0.00 C ATOM 458 O LEU A 31 0.822 -1.119 -5.152 1.00 0.00 O ATOM 459 CB LEU A 31 0.388 -4.316 -4.642 1.00 0.00 C ATOM 460 CG LEU A 31 1.519 -3.998 -3.692 1.00 0.00 C ATOM 461 CD1 LEU A 31 0.977 -3.395 -2.429 1.00 0.00 C ATOM 462 CD2 LEU A 31 2.321 -5.230 -3.372 1.00 0.00 C ATOM 0 H LEU A 31 -1.556 -4.593 -6.040 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.901 -2.638 -4.223 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.269 -5.043 -4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.805 -4.796 -5.527 1.00 0.00 H new ATOM 0 HG LEU A 31 2.179 -3.280 -4.179 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.800 -3.170 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.440 -2.477 -2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.297 -4.100 -1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.128 -4.971 -2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.675 -5.974 -2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.742 -5.639 -4.290 1.00 0.00 H new ATOM 474 N CYS A 32 0.724 -2.308 -7.038 1.00 0.00 N ATOM 475 CA CYS A 32 1.544 -1.389 -7.800 1.00 0.00 C ATOM 476 C CYS A 32 0.914 0.001 -7.792 1.00 0.00 C ATOM 477 O CYS A 32 1.583 0.982 -7.491 1.00 0.00 O ATOM 478 CB CYS A 32 1.695 -1.873 -9.241 1.00 0.00 C ATOM 479 SG CYS A 32 3.072 -1.122 -10.134 1.00 0.00 S ATOM 0 H CYS A 32 0.408 -3.122 -7.565 1.00 0.00 H new ATOM 0 HA CYS A 32 2.530 -1.344 -7.338 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.826 -2.955 -9.237 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.771 -1.666 -9.781 1.00 0.00 H new ATOM 0 HG CYS A 32 3.965 -2.029 -10.397 1.00 0.00 H new ATOM 485 N ASP A 33 -0.392 0.055 -8.021 1.00 0.00 N ATOM 486 CA ASP A 33 -1.123 1.321 -8.080 1.00 0.00 C ATOM 487 C ASP A 33 -1.114 1.964 -6.707 1.00 0.00 C ATOM 488 O ASP A 33 -0.823 3.150 -6.559 1.00 0.00 O ATOM 489 CB ASP A 33 -2.573 1.072 -8.518 1.00 0.00 C ATOM 490 CG ASP A 33 -3.320 2.342 -8.890 1.00 0.00 C ATOM 491 OD1 ASP A 33 -3.735 3.114 -8.012 1.00 0.00 O ATOM 492 OD2 ASP A 33 -3.512 2.583 -10.090 1.00 0.00 O ATOM 0 H ASP A 33 -0.974 -0.769 -8.171 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.643 1.981 -8.802 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.575 0.395 -9.372 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.107 0.569 -7.712 1.00 0.00 H new ATOM 497 N LEU A 34 -1.326 1.126 -5.703 1.00 0.00 N ATOM 498 CA LEU A 34 -1.420 1.551 -4.310 1.00 0.00 C ATOM 499 C LEU A 34 -0.092 2.121 -3.825 1.00 0.00 C ATOM 500 O LEU A 34 -0.044 3.214 -3.250 1.00 0.00 O ATOM 501 CB LEU A 34 -1.906 0.347 -3.437 1.00 0.00 C ATOM 502 CG LEU A 34 -2.035 0.537 -1.901 1.00 0.00 C ATOM 503 CD1 LEU A 34 -3.006 -0.486 -1.338 1.00 0.00 C ATOM 504 CD2 LEU A 34 -0.691 0.334 -1.215 1.00 0.00 C ATOM 0 H LEU A 34 -1.439 0.120 -5.832 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.151 2.354 -4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.881 0.039 -3.814 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.221 -0.483 -3.610 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.391 1.551 -1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.094 -0.350 -0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.984 -0.353 -1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.638 -1.490 -1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.807 0.472 -0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.329 -0.675 -1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.027 1.059 -1.599 1.00 0.00 H new ATOM 516 N LYS A 35 0.984 1.415 -4.111 1.00 0.00 N ATOM 517 CA LYS A 35 2.299 1.838 -3.682 1.00 0.00 C ATOM 518 C LYS A 35 2.730 3.076 -4.421 1.00 0.00 C ATOM 519 O LYS A 35 3.339 3.967 -3.839 1.00 0.00 O ATOM 520 CB LYS A 35 3.327 0.731 -3.846 1.00 0.00 C ATOM 521 CG LYS A 35 2.992 -0.513 -3.051 1.00 0.00 C ATOM 522 CD LYS A 35 4.119 -1.524 -3.037 1.00 0.00 C ATOM 523 CE LYS A 35 4.667 -1.882 -4.400 1.00 0.00 C ATOM 524 NZ LYS A 35 5.866 -2.756 -4.268 1.00 0.00 N ATOM 0 H LYS A 35 0.971 0.543 -4.640 1.00 0.00 H new ATOM 0 HA LYS A 35 2.235 2.073 -2.620 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.406 0.470 -4.901 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.304 1.101 -3.535 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.752 -0.230 -2.026 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.099 -0.977 -3.471 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.932 -1.132 -2.426 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.766 -2.434 -2.552 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.901 -2.392 -4.984 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.930 -0.974 -4.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.088 -3.183 -5.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.676 -2.188 -3.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.673 -3.508 -3.576 1.00 0.00 H new ATOM 538 N LYS A 36 2.390 3.140 -5.696 1.00 0.00 N ATOM 539 CA LYS A 36 2.690 4.302 -6.507 1.00 0.00 C ATOM 540 C LYS A 36 1.993 5.538 -5.966 1.00 0.00 C ATOM 541 O LYS A 36 2.589 6.626 -5.942 1.00 0.00 O ATOM 542 CB LYS A 36 2.327 4.072 -7.976 1.00 0.00 C ATOM 543 CG LYS A 36 3.474 3.590 -8.878 1.00 0.00 C ATOM 544 CD LYS A 36 4.199 2.339 -8.368 1.00 0.00 C ATOM 545 CE LYS A 36 5.231 1.881 -9.394 1.00 0.00 C ATOM 546 NZ LYS A 36 5.967 0.682 -8.963 1.00 0.00 N ATOM 0 H LYS A 36 1.903 2.394 -6.193 1.00 0.00 H new ATOM 0 HA LYS A 36 3.766 4.467 -6.455 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.521 3.340 -8.022 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.935 5.003 -8.384 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.076 3.385 -9.872 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.199 4.397 -8.985 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.689 2.554 -7.418 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.479 1.542 -8.182 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.730 1.674 -10.340 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.938 2.690 -9.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.862 0.617 -9.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.167 0.745 -7.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.393 -0.164 -9.152 1.00 0.00 H new ATOM 560 N GLN A 37 0.745 5.379 -5.508 1.00 0.00 N ATOM 561 CA GLN A 37 0.021 6.498 -4.923 1.00 0.00 C ATOM 562 C GLN A 37 0.716 6.962 -3.662 1.00 0.00 C ATOM 563 O GLN A 37 1.066 8.124 -3.541 1.00 0.00 O ATOM 564 CB GLN A 37 -1.439 6.151 -4.584 1.00 0.00 C ATOM 565 CG GLN A 37 -2.321 5.801 -5.768 1.00 0.00 C ATOM 566 CD GLN A 37 -3.780 5.658 -5.376 1.00 0.00 C ATOM 567 OE1 GLN A 37 -4.260 6.307 -4.444 1.00 0.00 O ATOM 568 NE2 GLN A 37 -4.492 4.812 -6.055 1.00 0.00 N ATOM 0 H GLN A 37 0.229 4.500 -5.533 1.00 0.00 H new ATOM 0 HA GLN A 37 0.012 7.289 -5.673 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.442 5.310 -3.890 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.883 6.998 -4.061 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.226 6.574 -6.530 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.974 4.869 -6.214 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.069 4.289 -6.821 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.475 4.670 -5.823 1.00 0.00 H new ATOM 577 N ILE A 38 1.000 6.022 -2.769 1.00 0.00 N ATOM 578 CA ILE A 38 1.611 6.333 -1.477 1.00 0.00 C ATOM 579 C ILE A 38 2.993 6.970 -1.639 1.00 0.00 C ATOM 580 O ILE A 38 3.280 8.001 -1.027 1.00 0.00 O ATOM 581 CB ILE A 38 1.711 5.082 -0.556 1.00 0.00 C ATOM 582 CG1 ILE A 38 0.316 4.495 -0.298 1.00 0.00 C ATOM 583 CG2 ILE A 38 2.389 5.437 0.775 1.00 0.00 C ATOM 584 CD1 ILE A 38 0.321 3.244 0.558 1.00 0.00 C ATOM 0 H ILE A 38 0.816 5.029 -2.915 1.00 0.00 H new ATOM 0 HA ILE A 38 0.950 7.055 -0.998 1.00 0.00 H new ATOM 0 HB ILE A 38 2.320 4.334 -1.064 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.301 5.252 0.186 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.153 4.266 -1.255 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.448 4.547 1.402 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.394 5.812 0.583 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.807 6.204 1.287 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.702 2.892 0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.909 2.469 0.067 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.759 3.470 1.530 1.00 0.00 H new ATOM 596 N MET A 39 3.827 6.395 -2.491 1.00 0.00 N ATOM 597 CA MET A 39 5.183 6.900 -2.666 1.00 0.00 C ATOM 598 C MET A 39 5.194 8.304 -3.256 1.00 0.00 C ATOM 599 O MET A 39 5.999 9.143 -2.856 1.00 0.00 O ATOM 600 CB MET A 39 6.069 5.946 -3.483 1.00 0.00 C ATOM 601 CG MET A 39 6.247 4.574 -2.840 1.00 0.00 C ATOM 602 SD MET A 39 7.487 3.554 -3.651 1.00 0.00 S ATOM 603 CE MET A 39 6.832 3.436 -5.308 1.00 0.00 C ATOM 0 H MET A 39 3.594 5.586 -3.068 1.00 0.00 H new ATOM 0 HA MET A 39 5.616 6.957 -1.667 1.00 0.00 H new ATOM 0 HB2 MET A 39 5.634 5.819 -4.474 1.00 0.00 H new ATOM 0 HB3 MET A 39 7.049 6.403 -3.621 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.524 4.705 -1.794 1.00 0.00 H new ATOM 0 HG3 MET A 39 5.292 4.049 -2.853 1.00 0.00 H new ATOM 0 HE1 MET A 39 7.386 2.680 -5.865 1.00 0.00 H new ATOM 0 HE2 MET A 39 5.780 3.156 -5.264 1.00 0.00 H new ATOM 0 HE3 MET A 39 6.930 4.400 -5.808 1.00 0.00 H new ATOM 613 N GLY A 40 4.295 8.561 -4.180 1.00 0.00 N ATOM 614 CA GLY A 40 4.192 9.885 -4.763 1.00 0.00 C ATOM 615 C GLY A 40 3.562 10.883 -3.809 1.00 0.00 C ATOM 616 O GLY A 40 3.913 12.056 -3.793 1.00 0.00 O ATOM 0 H GLY A 40 3.629 7.879 -4.543 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.185 10.233 -5.047 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.599 9.833 -5.676 1.00 0.00 H new ATOM 620 N ARG A 41 2.652 10.399 -3.008 1.00 0.00 N ATOM 621 CA ARG A 41 1.907 11.208 -2.062 1.00 0.00 C ATOM 622 C ARG A 41 2.766 11.638 -0.876 1.00 0.00 C ATOM 623 O ARG A 41 2.815 12.817 -0.517 1.00 0.00 O ATOM 624 CB ARG A 41 0.728 10.393 -1.562 1.00 0.00 C ATOM 625 CG ARG A 41 -0.180 11.093 -0.598 1.00 0.00 C ATOM 626 CD ARG A 41 -1.212 10.123 -0.090 1.00 0.00 C ATOM 627 NE ARG A 41 -2.273 10.758 0.688 1.00 0.00 N ATOM 628 CZ ARG A 41 -2.560 10.443 1.942 1.00 0.00 C ATOM 629 NH1 ARG A 41 -1.610 9.982 2.746 1.00 0.00 N ATOM 630 NH2 ARG A 41 -3.752 10.709 2.438 1.00 0.00 N ATOM 0 H ARG A 41 2.397 9.412 -2.989 1.00 0.00 H new ATOM 0 HA ARG A 41 1.573 12.114 -2.568 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.139 10.074 -2.422 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.109 9.491 -1.084 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.397 11.497 0.234 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.667 11.937 -1.087 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.656 9.600 -0.937 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.720 9.371 0.527 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.826 11.488 0.238 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.658 9.870 2.398 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.832 9.740 3.712 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.458 11.159 1.855 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.968 10.465 3.404 1.00 0.00 H new ATOM 644 N GLU A 42 3.466 10.694 -0.291 1.00 0.00 N ATOM 645 CA GLU A 42 4.215 10.960 0.934 1.00 0.00 C ATOM 646 C GLU A 42 5.658 11.292 0.656 1.00 0.00 C ATOM 647 O GLU A 42 6.452 11.525 1.579 1.00 0.00 O ATOM 648 CB GLU A 42 4.171 9.783 1.842 1.00 0.00 C ATOM 649 CG GLU A 42 2.777 9.365 2.312 1.00 0.00 C ATOM 650 CD GLU A 42 2.033 10.472 3.028 1.00 0.00 C ATOM 651 OE1 GLU A 42 2.436 10.855 4.153 1.00 0.00 O ATOM 652 OE2 GLU A 42 1.024 10.967 2.504 1.00 0.00 O ATOM 0 H GLU A 42 3.538 9.736 -0.635 1.00 0.00 H new ATOM 0 HA GLU A 42 3.741 11.821 1.406 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.633 8.937 1.334 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.781 10.000 2.719 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.192 9.041 1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.867 8.507 2.978 1.00 0.00 H new ATOM 659 N LYS A 43 5.986 11.276 -0.605 1.00 0.00 N ATOM 660 CA LYS A 43 7.302 11.619 -1.120 1.00 0.00 C ATOM 661 C LYS A 43 8.336 10.593 -0.691 1.00 0.00 C ATOM 662 O LYS A 43 9.192 10.857 0.151 1.00 0.00 O ATOM 663 CB LYS A 43 7.759 13.069 -0.742 1.00 0.00 C ATOM 664 CG LYS A 43 6.668 14.146 -0.848 1.00 0.00 C ATOM 665 CD LYS A 43 5.821 13.941 -2.076 1.00 0.00 C ATOM 666 CE LYS A 43 4.740 14.995 -2.220 1.00 0.00 C ATOM 667 NZ LYS A 43 3.941 14.791 -3.439 1.00 0.00 N ATOM 0 H LYS A 43 5.327 11.015 -1.338 1.00 0.00 H new ATOM 0 HA LYS A 43 7.218 11.602 -2.207 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.139 13.059 0.280 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.590 13.351 -1.388 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.038 14.118 0.041 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.129 15.133 -0.881 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.459 13.957 -2.960 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.359 12.955 -2.034 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.087 14.968 -1.348 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.197 15.984 -2.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.961 15.093 -3.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.345 15.352 -4.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.952 13.784 -3.697 1.00 0.00 H new ATOM 681 N LEU A 44 8.212 9.410 -1.219 1.00 0.00 N ATOM 682 CA LEU A 44 9.150 8.356 -0.922 1.00 0.00 C ATOM 683 C LEU A 44 10.198 8.234 -2.014 1.00 0.00 C ATOM 684 O LEU A 44 10.083 8.859 -3.075 1.00 0.00 O ATOM 685 CB LEU A 44 8.472 6.992 -0.712 1.00 0.00 C ATOM 686 CG LEU A 44 7.889 6.705 0.677 1.00 0.00 C ATOM 687 CD1 LEU A 44 6.750 7.632 1.027 1.00 0.00 C ATOM 688 CD2 LEU A 44 7.445 5.267 0.772 1.00 0.00 C ATOM 0 H LEU A 44 7.466 9.146 -1.863 1.00 0.00 H new ATOM 0 HA LEU A 44 9.628 8.637 0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.668 6.899 -1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.201 6.214 -0.940 1.00 0.00 H new ATOM 0 HG LEU A 44 8.683 6.886 1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.373 7.387 2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.104 8.663 1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.949 7.517 0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.033 5.078 1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.682 5.071 0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.299 4.611 0.602 1.00 0.00 H new ATOM 700 N LYS A 45 11.207 7.434 -1.752 1.00 0.00 N ATOM 701 CA LYS A 45 12.256 7.169 -2.705 1.00 0.00 C ATOM 702 C LYS A 45 12.152 5.723 -3.217 1.00 0.00 C ATOM 703 O LYS A 45 12.561 4.773 -2.549 1.00 0.00 O ATOM 704 CB LYS A 45 13.650 7.478 -2.103 1.00 0.00 C ATOM 705 CG LYS A 45 13.903 6.841 -0.740 1.00 0.00 C ATOM 706 CD LYS A 45 15.315 7.085 -0.229 1.00 0.00 C ATOM 707 CE LYS A 45 15.645 8.558 -0.030 1.00 0.00 C ATOM 708 NZ LYS A 45 17.016 8.740 0.501 1.00 0.00 N ATOM 0 H LYS A 45 11.322 6.946 -0.864 1.00 0.00 H new ATOM 0 HA LYS A 45 12.131 7.834 -3.560 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.417 7.136 -2.798 1.00 0.00 H new ATOM 0 HB3 LYS A 45 13.762 8.558 -2.012 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.187 7.238 -0.020 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.726 5.768 -0.807 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.445 6.561 0.718 1.00 0.00 H new ATOM 0 HD3 LYS A 45 16.027 6.654 -0.933 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.548 9.085 -0.979 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.925 9.004 0.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 17.208 9.755 0.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 17.100 8.257 1.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 17.703 8.336 -0.167 1.00 0.00 H new ATOM 722 N ALA A 46 11.613 5.581 -4.407 1.00 0.00 N ATOM 723 CA ALA A 46 11.355 4.282 -5.032 1.00 0.00 C ATOM 724 C ALA A 46 12.623 3.714 -5.677 1.00 0.00 C ATOM 725 O ALA A 46 12.655 2.568 -6.131 1.00 0.00 O ATOM 726 CB ALA A 46 10.268 4.440 -6.083 1.00 0.00 C ATOM 0 H ALA A 46 11.333 6.373 -4.986 1.00 0.00 H new ATOM 0 HA ALA A 46 11.030 3.584 -4.260 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.072 3.476 -6.552 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.356 4.806 -5.611 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.595 5.152 -6.841 1.00 0.00 H new ATOM 732 N ALA A 47 13.651 4.538 -5.731 1.00 0.00 N ATOM 733 CA ALA A 47 14.936 4.163 -6.309 1.00 0.00 C ATOM 734 C ALA A 47 15.868 3.590 -5.251 1.00 0.00 C ATOM 735 O ALA A 47 16.966 3.115 -5.557 1.00 0.00 O ATOM 736 CB ALA A 47 15.585 5.382 -6.950 1.00 0.00 C ATOM 0 H ALA A 47 13.623 5.493 -5.374 1.00 0.00 H new ATOM 0 HA ALA A 47 14.759 3.396 -7.063 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.545 5.099 -7.381 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.935 5.770 -7.735 1.00 0.00 H new ATOM 0 HB3 ALA A 47 15.740 6.152 -6.194 1.00 0.00 H new ATOM 742 N ASP A 48 15.434 3.631 -4.020 1.00 0.00 N ATOM 743 CA ASP A 48 16.272 3.178 -2.912 1.00 0.00 C ATOM 744 C ASP A 48 15.510 2.249 -2.012 1.00 0.00 C ATOM 745 O ASP A 48 16.066 1.344 -1.382 1.00 0.00 O ATOM 746 CB ASP A 48 16.724 4.362 -2.089 1.00 0.00 C ATOM 747 CG ASP A 48 17.671 3.964 -0.984 1.00 0.00 C ATOM 748 OD1 ASP A 48 18.869 3.734 -1.269 1.00 0.00 O ATOM 749 OD2 ASP A 48 17.234 3.877 0.182 1.00 0.00 O ATOM 0 H ASP A 48 14.511 3.970 -3.747 1.00 0.00 H new ATOM 0 HA ASP A 48 17.130 2.657 -3.336 1.00 0.00 H new ATOM 0 HB2 ASP A 48 17.212 5.088 -2.739 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.853 4.855 -1.658 1.00 0.00 H new ATOM 754 N CYS A 49 14.248 2.453 -1.952 1.00 0.00 N ATOM 755 CA CYS A 49 13.431 1.700 -1.102 1.00 0.00 C ATOM 756 C CYS A 49 12.258 1.182 -1.906 1.00 0.00 C ATOM 757 O CYS A 49 11.955 1.710 -2.975 1.00 0.00 O ATOM 758 CB CYS A 49 12.932 2.595 0.039 1.00 0.00 C ATOM 759 SG CYS A 49 14.227 3.398 1.035 1.00 0.00 S ATOM 0 H CYS A 49 13.755 3.157 -2.501 1.00 0.00 H new ATOM 0 HA CYS A 49 13.986 0.863 -0.678 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.292 3.369 -0.384 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.309 1.994 0.702 1.00 0.00 H new ATOM 0 HG CYS A 49 15.335 3.437 0.356 1.00 0.00 H new ATOM 765 N ASP A 50 11.642 0.162 -1.419 1.00 0.00 N ATOM 766 CA ASP A 50 10.460 -0.376 -2.023 1.00 0.00 C ATOM 767 C ASP A 50 9.410 -0.227 -0.989 1.00 0.00 C ATOM 768 O ASP A 50 9.716 0.067 0.192 1.00 0.00 O ATOM 769 CB ASP A 50 10.602 -1.870 -2.347 1.00 0.00 C ATOM 770 CG ASP A 50 9.694 -2.354 -3.491 1.00 0.00 C ATOM 771 OD1 ASP A 50 8.452 -2.070 -3.506 1.00 0.00 O ATOM 772 OD2 ASP A 50 10.222 -2.991 -4.445 1.00 0.00 O ATOM 0 H ASP A 50 11.944 -0.333 -0.580 1.00 0.00 H new ATOM 0 HA ASP A 50 10.245 0.137 -2.961 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.640 -2.077 -2.609 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.378 -2.448 -1.450 1.00 0.00 H new ATOM 777 N LEU A 51 8.235 -0.443 -1.351 1.00 0.00 N ATOM 778 CA LEU A 51 7.193 -0.318 -0.446 1.00 0.00 C ATOM 779 C LEU A 51 6.609 -1.702 -0.254 1.00 0.00 C ATOM 780 O LEU A 51 6.197 -2.349 -1.202 1.00 0.00 O ATOM 781 CB LEU A 51 6.195 0.737 -0.947 1.00 0.00 C ATOM 782 CG LEU A 51 5.135 1.182 0.034 1.00 0.00 C ATOM 783 CD1 LEU A 51 5.805 1.710 1.285 1.00 0.00 C ATOM 784 CD2 LEU A 51 4.278 2.269 -0.576 1.00 0.00 C ATOM 0 H LEU A 51 7.959 -0.715 -2.294 1.00 0.00 H new ATOM 0 HA LEU A 51 7.517 0.045 0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.757 1.615 -1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.696 0.342 -1.832 1.00 0.00 H new ATOM 0 HG LEU A 51 4.500 0.332 0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.045 2.033 1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.411 0.922 1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.443 2.556 1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.519 2.580 0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.904 3.123 -0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.793 1.889 -1.475 1.00 0.00 H new ATOM 796 N GLN A 52 6.657 -2.178 0.940 1.00 0.00 N ATOM 797 CA GLN A 52 6.235 -3.506 1.231 1.00 0.00 C ATOM 798 C GLN A 52 5.006 -3.440 2.092 1.00 0.00 C ATOM 799 O GLN A 52 5.026 -2.905 3.187 1.00 0.00 O ATOM 800 CB GLN A 52 7.361 -4.255 1.921 1.00 0.00 C ATOM 801 CG GLN A 52 7.137 -5.739 2.074 1.00 0.00 C ATOM 802 CD GLN A 52 8.330 -6.433 2.681 1.00 0.00 C ATOM 803 OE1 GLN A 52 8.433 -6.572 3.899 1.00 0.00 O ATOM 804 NE2 GLN A 52 9.235 -6.875 1.851 1.00 0.00 N ATOM 0 H GLN A 52 6.992 -1.655 1.749 1.00 0.00 H new ATOM 0 HA GLN A 52 5.990 -4.044 0.315 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.281 -4.097 1.358 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.514 -3.822 2.909 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.261 -5.910 2.700 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.922 -6.175 1.099 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.115 -6.741 0.847 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.062 -7.354 2.206 1.00 0.00 H new ATOM 813 N ILE A 53 3.942 -3.934 1.595 1.00 0.00 N ATOM 814 CA ILE A 53 2.704 -3.843 2.301 1.00 0.00 C ATOM 815 C ILE A 53 2.439 -5.158 2.996 1.00 0.00 C ATOM 816 O ILE A 53 2.680 -6.214 2.434 1.00 0.00 O ATOM 817 CB ILE A 53 1.547 -3.486 1.336 1.00 0.00 C ATOM 818 CG1 ILE A 53 1.902 -2.244 0.490 1.00 0.00 C ATOM 819 CG2 ILE A 53 0.244 -3.262 2.089 1.00 0.00 C ATOM 820 CD1 ILE A 53 2.224 -0.989 1.251 1.00 0.00 C ATOM 0 H ILE A 53 3.891 -4.412 0.695 1.00 0.00 H new ATOM 0 HA ILE A 53 2.767 -3.048 3.044 1.00 0.00 H new ATOM 0 HB ILE A 53 1.405 -4.334 0.666 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.757 -2.492 -0.139 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.066 -2.034 -0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.547 -3.013 1.381 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.025 -4.170 2.629 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.369 -2.442 2.796 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.457 -0.188 0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.366 -0.702 1.859 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.083 -1.166 1.898 1.00 0.00 H new ATOM 832 N THR A 54 2.026 -5.096 4.213 1.00 0.00 N ATOM 833 CA THR A 54 1.721 -6.267 4.975 1.00 0.00 C ATOM 834 C THR A 54 0.281 -6.139 5.460 1.00 0.00 C ATOM 835 O THR A 54 -0.178 -5.050 5.690 1.00 0.00 O ATOM 836 CB THR A 54 2.672 -6.357 6.181 1.00 0.00 C ATOM 837 OG1 THR A 54 4.025 -6.122 5.741 1.00 0.00 O ATOM 838 CG2 THR A 54 2.594 -7.726 6.830 1.00 0.00 C ATOM 0 H THR A 54 1.887 -4.221 4.719 1.00 0.00 H new ATOM 0 HA THR A 54 1.841 -7.165 4.370 1.00 0.00 H new ATOM 0 HB THR A 54 2.375 -5.605 6.912 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.633 -6.177 6.508 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.275 -7.765 7.680 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.575 -7.909 7.173 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.875 -8.489 6.104 1.00 0.00 H new ATOM 846 N ASN A 55 -0.440 -7.219 5.548 1.00 0.00 N ATOM 847 CA ASN A 55 -1.812 -7.162 6.033 1.00 0.00 C ATOM 848 C ASN A 55 -1.822 -6.875 7.529 1.00 0.00 C ATOM 849 O ASN A 55 -1.011 -7.423 8.266 1.00 0.00 O ATOM 850 CB ASN A 55 -2.525 -8.463 5.764 1.00 0.00 C ATOM 851 CG ASN A 55 -4.005 -8.349 5.923 1.00 0.00 C ATOM 852 OD1 ASN A 55 -4.530 -8.474 7.009 1.00 0.00 O ATOM 853 ND2 ASN A 55 -4.680 -8.151 4.868 1.00 0.00 N ATOM 0 H ASN A 55 -0.114 -8.152 5.295 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.331 -6.362 5.505 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.296 -8.796 4.752 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.148 -9.227 6.444 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.697 -8.092 4.917 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.206 -8.050 3.971 1.00 0.00 H new ATOM 860 N ALA A 56 -2.736 -6.032 7.980 1.00 0.00 N ATOM 861 CA ALA A 56 -2.806 -5.677 9.395 1.00 0.00 C ATOM 862 C ALA A 56 -3.429 -6.791 10.213 1.00 0.00 C ATOM 863 O ALA A 56 -3.126 -6.954 11.385 1.00 0.00 O ATOM 864 CB ALA A 56 -3.588 -4.390 9.589 1.00 0.00 C ATOM 0 H ALA A 56 -3.438 -5.581 7.394 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.785 -5.526 9.746 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.627 -4.145 10.650 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.097 -3.581 9.048 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.601 -4.519 9.209 1.00 0.00 H new ATOM 870 N GLN A 57 -4.264 -7.570 9.581 1.00 0.00 N ATOM 871 CA GLN A 57 -4.989 -8.625 10.253 1.00 0.00 C ATOM 872 C GLN A 57 -4.273 -9.962 10.136 1.00 0.00 C ATOM 873 O GLN A 57 -4.078 -10.657 11.121 1.00 0.00 O ATOM 874 CB GLN A 57 -6.407 -8.727 9.674 1.00 0.00 C ATOM 875 CG GLN A 57 -7.266 -7.490 9.922 1.00 0.00 C ATOM 876 CD GLN A 57 -7.635 -7.297 11.391 1.00 0.00 C ATOM 877 OE1 GLN A 57 -7.848 -8.384 12.102 1.00 0.00 O flip ATOM 878 NE2 GLN A 57 -7.776 -6.160 11.873 1.00 0.00 N flip ATOM 0 H GLN A 57 -4.464 -7.495 8.584 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.045 -8.376 11.313 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.339 -8.901 8.600 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.904 -9.595 10.107 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.731 -6.608 9.570 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.179 -7.566 9.332 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.603 -5.337 11.296 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -8.064 -6.050 12.845 1.00 0.00 H new ATOM 887 N THR A 58 -3.868 -10.308 8.942 1.00 0.00 N ATOM 888 CA THR A 58 -3.292 -11.609 8.703 1.00 0.00 C ATOM 889 C THR A 58 -1.777 -11.574 8.768 1.00 0.00 C ATOM 890 O THR A 58 -1.138 -12.607 8.973 1.00 0.00 O ATOM 891 CB THR A 58 -3.726 -12.153 7.322 1.00 0.00 C ATOM 892 OG1 THR A 58 -3.091 -11.413 6.277 1.00 0.00 O ATOM 893 CG2 THR A 58 -5.215 -11.993 7.146 1.00 0.00 C ATOM 0 H THR A 58 -3.926 -9.708 8.119 1.00 0.00 H new ATOM 0 HA THR A 58 -3.659 -12.268 9.490 1.00 0.00 H new ATOM 0 HB THR A 58 -3.443 -13.205 7.273 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.372 -11.767 5.408 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.510 -12.379 6.170 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.735 -12.547 7.928 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.478 -10.937 7.213 1.00 0.00 H new ATOM 901 N LYS A 59 -1.208 -10.370 8.627 1.00 0.00 N ATOM 902 CA LYS A 59 0.223 -10.185 8.526 1.00 0.00 C ATOM 903 C LYS A 59 0.817 -10.916 7.346 1.00 0.00 C ATOM 904 O LYS A 59 1.873 -11.533 7.446 1.00 0.00 O ATOM 905 CB LYS A 59 0.960 -10.500 9.817 1.00 0.00 C ATOM 906 CG LYS A 59 1.103 -9.319 10.747 1.00 0.00 C ATOM 907 CD LYS A 59 -0.210 -8.791 11.280 1.00 0.00 C ATOM 908 CE LYS A 59 0.039 -7.613 12.209 1.00 0.00 C ATOM 909 NZ LYS A 59 0.945 -7.980 13.317 1.00 0.00 N ATOM 0 H LYS A 59 -1.740 -9.501 8.581 1.00 0.00 H new ATOM 0 HA LYS A 59 0.367 -9.120 8.347 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.432 -11.298 10.339 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.952 -10.880 9.573 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.735 -9.606 11.587 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.619 -8.516 10.221 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.850 -8.483 10.453 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.738 -9.580 11.815 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.470 -6.787 11.643 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.910 -7.261 12.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.858 -7.281 14.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.689 -8.921 13.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.926 -7.996 12.972 1.00 0.00 H new ATOM 923 N GLU A 60 0.129 -10.857 6.241 1.00 0.00 N ATOM 924 CA GLU A 60 0.639 -11.399 5.012 1.00 0.00 C ATOM 925 C GLU A 60 1.310 -10.275 4.235 1.00 0.00 C ATOM 926 O GLU A 60 0.706 -9.214 4.047 1.00 0.00 O ATOM 927 CB GLU A 60 -0.510 -11.964 4.211 1.00 0.00 C ATOM 928 CG GLU A 60 -0.133 -12.626 2.905 1.00 0.00 C ATOM 929 CD GLU A 60 -1.339 -13.194 2.220 1.00 0.00 C ATOM 930 OE1 GLU A 60 -2.033 -12.470 1.507 1.00 0.00 O ATOM 931 OE2 GLU A 60 -1.650 -14.388 2.434 1.00 0.00 O ATOM 0 H GLU A 60 -0.796 -10.434 6.166 1.00 0.00 H new ATOM 0 HA GLU A 60 1.360 -12.192 5.210 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.036 -12.692 4.828 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.213 -11.158 4.000 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.351 -11.900 2.252 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.591 -13.420 3.092 1.00 0.00 H new ATOM 938 N GLU A 61 2.547 -10.469 3.840 1.00 0.00 N ATOM 939 CA GLU A 61 3.232 -9.501 3.057 1.00 0.00 C ATOM 940 C GLU A 61 2.835 -9.625 1.613 1.00 0.00 C ATOM 941 O GLU A 61 2.758 -10.732 1.070 1.00 0.00 O ATOM 942 CB GLU A 61 4.751 -9.622 3.157 1.00 0.00 C ATOM 943 CG GLU A 61 5.387 -8.968 4.369 1.00 0.00 C ATOM 944 CD GLU A 61 5.534 -9.875 5.558 1.00 0.00 C ATOM 945 OE1 GLU A 61 4.549 -10.387 6.069 1.00 0.00 O ATOM 946 OE2 GLU A 61 6.685 -10.112 5.988 1.00 0.00 O ATOM 0 H GLU A 61 3.093 -11.302 4.058 1.00 0.00 H new ATOM 0 HA GLU A 61 2.945 -8.528 3.455 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.013 -10.680 3.159 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.191 -9.187 2.260 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.372 -8.593 4.090 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.787 -8.105 4.658 1.00 0.00 H new ATOM 953 N TYR A 62 2.585 -8.512 1.007 1.00 0.00 N ATOM 954 CA TYR A 62 2.249 -8.457 -0.387 1.00 0.00 C ATOM 955 C TYR A 62 3.523 -8.207 -1.157 1.00 0.00 C ATOM 956 O TYR A 62 4.051 -7.079 -1.197 1.00 0.00 O ATOM 957 CB TYR A 62 1.194 -7.381 -0.648 1.00 0.00 C ATOM 958 CG TYR A 62 -0.059 -7.606 0.163 1.00 0.00 C ATOM 959 CD1 TYR A 62 -1.007 -8.523 -0.246 1.00 0.00 C ATOM 960 CD2 TYR A 62 -0.273 -6.929 1.354 1.00 0.00 C ATOM 961 CE1 TYR A 62 -2.134 -8.755 0.503 1.00 0.00 C ATOM 962 CE2 TYR A 62 -1.396 -7.162 2.110 1.00 0.00 C ATOM 963 CZ TYR A 62 -2.322 -8.076 1.680 1.00 0.00 C ATOM 964 OH TYR A 62 -3.444 -8.317 2.429 1.00 0.00 O ATOM 0 H TYR A 62 2.607 -7.602 1.466 1.00 0.00 H new ATOM 0 HA TYR A 62 1.809 -9.398 -0.716 1.00 0.00 H new ATOM 0 HB2 TYR A 62 1.609 -6.402 -0.409 1.00 0.00 H new ATOM 0 HB3 TYR A 62 0.942 -7.371 -1.708 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.860 -9.065 -1.168 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.455 -6.207 1.693 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.870 -9.470 0.167 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.548 -6.629 3.037 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.735 -9.243 2.294 1.00 0.00 H new ATOM 974 N THR A 63 4.041 -9.261 -1.702 1.00 0.00 N ATOM 975 CA THR A 63 5.334 -9.262 -2.307 1.00 0.00 C ATOM 976 C THR A 63 5.348 -8.752 -3.753 1.00 0.00 C ATOM 977 O THR A 63 6.187 -7.906 -4.113 1.00 0.00 O ATOM 978 CB THR A 63 5.921 -10.675 -2.199 1.00 0.00 C ATOM 979 OG1 THR A 63 4.938 -11.628 -2.645 1.00 0.00 O ATOM 980 CG2 THR A 63 6.277 -10.978 -0.751 1.00 0.00 C ATOM 0 H THR A 63 3.567 -10.163 -1.740 1.00 0.00 H new ATOM 0 HA THR A 63 5.956 -8.551 -1.764 1.00 0.00 H new ATOM 0 HB THR A 63 6.818 -10.740 -2.815 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.307 -12.533 -2.580 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.693 -11.983 -0.681 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.013 -10.255 -0.398 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.380 -10.913 -0.135 1.00 0.00 H new ATOM 988 N ASP A 64 4.438 -9.235 -4.565 1.00 0.00 N ATOM 989 CA ASP A 64 4.401 -8.857 -5.977 1.00 0.00 C ATOM 990 C ASP A 64 3.510 -7.657 -6.126 1.00 0.00 C ATOM 991 O ASP A 64 2.523 -7.549 -5.425 1.00 0.00 O ATOM 992 CB ASP A 64 3.816 -9.982 -6.802 1.00 0.00 C ATOM 993 CG ASP A 64 4.193 -9.903 -8.237 1.00 0.00 C ATOM 994 OD1 ASP A 64 5.268 -10.409 -8.638 1.00 0.00 O ATOM 995 OD2 ASP A 64 3.418 -9.360 -8.994 1.00 0.00 O ATOM 0 H ASP A 64 3.709 -9.891 -4.282 1.00 0.00 H new ATOM 0 HA ASP A 64 5.414 -8.641 -6.318 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.151 -10.936 -6.395 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.730 -9.963 -6.715 1.00 0.00 H new ATOM 1000 N ASP A 65 3.798 -6.783 -7.060 1.00 0.00 N ATOM 1001 CA ASP A 65 3.009 -5.556 -7.217 1.00 0.00 C ATOM 1002 C ASP A 65 1.689 -5.806 -7.927 1.00 0.00 C ATOM 1003 O ASP A 65 0.862 -4.901 -8.082 1.00 0.00 O ATOM 1004 CB ASP A 65 3.808 -4.427 -7.873 1.00 0.00 C ATOM 1005 CG ASP A 65 4.268 -4.736 -9.274 1.00 0.00 C ATOM 1006 OD1 ASP A 65 4.954 -5.745 -9.464 1.00 0.00 O ATOM 1007 OD2 ASP A 65 3.965 -3.970 -10.199 1.00 0.00 O ATOM 0 H ASP A 65 4.565 -6.885 -7.725 1.00 0.00 H new ATOM 0 HA ASP A 65 2.765 -5.220 -6.209 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.195 -3.526 -7.893 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.679 -4.206 -7.256 1.00 0.00 H new ATOM 1012 N ASN A 66 1.474 -7.041 -8.308 1.00 0.00 N ATOM 1013 CA ASN A 66 0.219 -7.448 -8.913 1.00 0.00 C ATOM 1014 C ASN A 66 -0.725 -7.964 -7.847 1.00 0.00 C ATOM 1015 O ASN A 66 -1.871 -8.352 -8.141 1.00 0.00 O ATOM 1016 CB ASN A 66 0.439 -8.505 -9.979 1.00 0.00 C ATOM 1017 CG ASN A 66 1.243 -7.988 -11.149 1.00 0.00 C ATOM 1018 OD1 ASN A 66 0.698 -7.489 -12.127 1.00 0.00 O ATOM 1019 ND2 ASN A 66 2.535 -8.074 -11.045 1.00 0.00 N ATOM 0 H ASN A 66 2.157 -7.793 -8.211 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.226 -6.577 -9.394 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.953 -9.359 -9.538 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.527 -8.863 -10.336 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.132 -7.720 -11.793 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.953 -8.496 -10.216 1.00 0.00 H new ATOM 1026 N ALA A 67 -0.233 -7.998 -6.607 1.00 0.00 N ATOM 1027 CA ALA A 67 -1.046 -8.358 -5.461 1.00 0.00 C ATOM 1028 C ALA A 67 -2.111 -7.284 -5.285 1.00 0.00 C ATOM 1029 O ALA A 67 -1.888 -6.152 -5.650 1.00 0.00 O ATOM 1030 CB ALA A 67 -0.180 -8.476 -4.218 1.00 0.00 C ATOM 0 H ALA A 67 0.736 -7.777 -6.378 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.522 -9.326 -5.620 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.803 -8.747 -3.365 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.577 -9.245 -4.373 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.308 -7.521 -4.023 1.00 0.00 H new ATOM 1036 N LEU A 68 -3.248 -7.630 -4.801 1.00 0.00 N ATOM 1037 CA LEU A 68 -4.334 -6.680 -4.719 1.00 0.00 C ATOM 1038 C LEU A 68 -4.777 -6.456 -3.278 1.00 0.00 C ATOM 1039 O LEU A 68 -4.798 -7.408 -2.477 1.00 0.00 O ATOM 1040 CB LEU A 68 -5.488 -7.139 -5.617 1.00 0.00 C ATOM 1041 CG LEU A 68 -6.255 -8.370 -5.152 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -7.398 -7.962 -4.269 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -6.716 -9.224 -6.319 1.00 0.00 C ATOM 0 H LEU A 68 -3.466 -8.563 -4.451 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.985 -5.713 -5.081 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.193 -6.314 -5.717 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.089 -7.340 -6.611 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.579 -8.993 -4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.940 -8.849 -3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.014 -7.430 -3.399 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.072 -7.310 -4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.259 -10.091 -5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.371 -8.637 -6.963 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.850 -9.558 -6.890 1.00 0.00 H new ATOM 1055 N ILE A 69 -5.055 -5.221 -2.911 1.00 0.00 N ATOM 1056 CA ILE A 69 -5.597 -4.967 -1.594 1.00 0.00 C ATOM 1057 C ILE A 69 -7.011 -4.353 -1.707 1.00 0.00 C ATOM 1058 O ILE A 69 -7.199 -3.301 -2.318 1.00 0.00 O ATOM 1059 CB ILE A 69 -4.681 -4.078 -0.667 1.00 0.00 C ATOM 1060 CG1 ILE A 69 -3.309 -4.730 -0.413 1.00 0.00 C ATOM 1061 CG2 ILE A 69 -5.365 -3.793 0.667 1.00 0.00 C ATOM 1062 CD1 ILE A 69 -2.311 -4.601 -1.540 1.00 0.00 C ATOM 0 H ILE A 69 -4.918 -4.394 -3.493 1.00 0.00 H new ATOM 0 HA ILE A 69 -5.647 -5.939 -1.104 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.519 -3.139 -1.197 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.877 -4.288 0.485 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.462 -5.789 -0.205 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.712 -3.179 1.287 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.301 -3.263 0.490 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.571 -4.733 1.178 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.380 -5.093 -1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.713 -5.070 -2.438 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.119 -3.546 -1.737 1.00 0.00 H new ATOM 1074 N PRO A 70 -8.022 -5.059 -1.195 1.00 0.00 N ATOM 1075 CA PRO A 70 -9.415 -4.594 -1.175 1.00 0.00 C ATOM 1076 C PRO A 70 -9.728 -3.576 -0.079 1.00 0.00 C ATOM 1077 O PRO A 70 -9.111 -3.567 0.985 1.00 0.00 O ATOM 1078 CB PRO A 70 -10.203 -5.873 -0.936 1.00 0.00 C ATOM 1079 CG PRO A 70 -9.273 -6.739 -0.162 1.00 0.00 C ATOM 1080 CD PRO A 70 -7.895 -6.412 -0.642 1.00 0.00 C ATOM 0 HA PRO A 70 -9.657 -4.067 -2.098 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -11.120 -5.677 -0.380 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -10.494 -6.342 -1.876 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.367 -6.551 0.908 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.500 -7.793 -0.322 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.171 -6.444 0.172 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.557 -7.121 -1.397 1.00 0.00 H new ATOM 1088 N LYS A 71 -10.757 -2.761 -0.341 1.00 0.00 N ATOM 1089 CA LYS A 71 -11.246 -1.706 0.580 1.00 0.00 C ATOM 1090 C LYS A 71 -11.816 -2.297 1.866 1.00 0.00 C ATOM 1091 O LYS A 71 -12.142 -1.580 2.810 1.00 0.00 O ATOM 1092 CB LYS A 71 -12.343 -0.870 -0.100 1.00 0.00 C ATOM 1093 CG LYS A 71 -13.508 -1.698 -0.635 1.00 0.00 C ATOM 1094 CD LYS A 71 -14.711 -0.843 -1.006 1.00 0.00 C ATOM 1095 CE LYS A 71 -15.840 -1.693 -1.567 1.00 0.00 C ATOM 1096 NZ LYS A 71 -17.062 -0.909 -1.817 1.00 0.00 N ATOM 0 H LYS A 71 -11.288 -2.810 -1.211 1.00 0.00 H new ATOM 0 HA LYS A 71 -10.390 -1.079 0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.726 -0.141 0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.901 -0.308 -0.923 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.180 -2.257 -1.511 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.805 -2.430 0.117 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -15.062 -0.303 -0.126 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.415 -0.095 -1.742 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.513 -2.158 -2.497 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.065 -2.499 -0.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.802 -1.532 -2.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.391 -0.486 -0.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.856 -0.155 -2.503 1.00 0.00 H new ATOM 1110 N ASN A 72 -11.981 -3.589 1.862 1.00 0.00 N ATOM 1111 CA ASN A 72 -12.511 -4.315 2.992 1.00 0.00 C ATOM 1112 C ASN A 72 -11.379 -4.698 3.947 1.00 0.00 C ATOM 1113 O ASN A 72 -11.619 -5.146 5.078 1.00 0.00 O ATOM 1114 CB ASN A 72 -13.251 -5.573 2.502 1.00 0.00 C ATOM 1115 CG ASN A 72 -14.370 -5.263 1.515 1.00 0.00 C ATOM 1116 OD1 ASN A 72 -14.140 -5.190 0.309 1.00 0.00 O ATOM 1117 ND2 ASN A 72 -15.573 -5.089 2.005 1.00 0.00 N ATOM 0 H ASN A 72 -11.749 -4.181 1.064 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.216 -3.680 3.528 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.536 -6.247 2.031 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.668 -6.100 3.361 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.354 -4.886 1.381 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.729 -5.157 3.011 1.00 0.00 H new ATOM 1124 N SER A 73 -10.146 -4.512 3.500 1.00 0.00 N ATOM 1125 CA SER A 73 -8.980 -4.843 4.285 1.00 0.00 C ATOM 1126 C SER A 73 -8.272 -3.583 4.795 1.00 0.00 C ATOM 1127 O SER A 73 -8.418 -2.492 4.232 1.00 0.00 O ATOM 1128 CB SER A 73 -7.991 -5.675 3.454 1.00 0.00 C ATOM 1129 OG SER A 73 -8.547 -6.921 3.062 1.00 0.00 O ATOM 0 H SER A 73 -9.932 -4.126 2.580 1.00 0.00 H new ATOM 0 HA SER A 73 -9.320 -5.424 5.142 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.699 -5.113 2.567 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.085 -5.848 4.034 1.00 0.00 H new ATOM 0 HG SER A 73 -7.890 -7.421 2.534 1.00 0.00 H new ATOM 1135 N SER A 74 -7.556 -3.747 5.873 1.00 0.00 N ATOM 1136 CA SER A 74 -6.714 -2.731 6.437 1.00 0.00 C ATOM 1137 C SER A 74 -5.301 -3.295 6.403 1.00 0.00 C ATOM 1138 O SER A 74 -5.093 -4.476 6.749 1.00 0.00 O ATOM 1139 CB SER A 74 -7.158 -2.443 7.873 1.00 0.00 C ATOM 1140 OG SER A 74 -8.541 -2.097 7.902 1.00 0.00 O ATOM 0 H SER A 74 -7.543 -4.621 6.399 1.00 0.00 H new ATOM 0 HA SER A 74 -6.768 -1.792 5.886 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.982 -3.318 8.498 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.564 -1.629 8.289 1.00 0.00 H new ATOM 0 HG SER A 74 -8.814 -1.917 8.826 1.00 0.00 H new ATOM 1146 N VAL A 75 -4.351 -2.525 5.946 1.00 0.00 N ATOM 1147 CA VAL A 75 -3.005 -3.023 5.780 1.00 0.00 C ATOM 1148 C VAL A 75 -1.940 -2.126 6.444 1.00 0.00 C ATOM 1149 O VAL A 75 -2.194 -0.970 6.784 1.00 0.00 O ATOM 1150 CB VAL A 75 -2.662 -3.300 4.272 1.00 0.00 C ATOM 1151 CG1 VAL A 75 -3.477 -4.472 3.737 1.00 0.00 C ATOM 1152 CG2 VAL A 75 -2.941 -2.084 3.407 1.00 0.00 C ATOM 0 H VAL A 75 -4.480 -1.549 5.681 1.00 0.00 H new ATOM 0 HA VAL A 75 -2.976 -3.977 6.307 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.599 -3.537 4.228 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.222 -4.645 2.691 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.252 -5.367 4.318 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.540 -4.244 3.819 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.693 -2.310 2.370 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.996 -1.821 3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.334 -1.246 3.751 1.00 0.00 H new ATOM 1162 N ILE A 76 -0.779 -2.694 6.638 1.00 0.00 N ATOM 1163 CA ILE A 76 0.366 -2.046 7.241 1.00 0.00 C ATOM 1164 C ILE A 76 1.332 -1.719 6.124 1.00 0.00 C ATOM 1165 O ILE A 76 1.609 -2.568 5.266 1.00 0.00 O ATOM 1166 CB ILE A 76 1.095 -2.996 8.249 1.00 0.00 C ATOM 1167 CG1 ILE A 76 0.134 -3.519 9.328 1.00 0.00 C ATOM 1168 CG2 ILE A 76 2.307 -2.311 8.894 1.00 0.00 C ATOM 1169 CD1 ILE A 76 -0.497 -2.446 10.188 1.00 0.00 C ATOM 0 H ILE A 76 -0.593 -3.661 6.371 1.00 0.00 H new ATOM 0 HA ILE A 76 0.035 -1.159 7.782 1.00 0.00 H new ATOM 0 HB ILE A 76 1.456 -3.850 7.676 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.658 -4.090 8.844 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.676 -4.210 9.973 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.788 -3.000 9.588 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.017 -2.022 8.119 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.978 -1.423 9.434 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.159 -2.909 10.920 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.284 -1.889 10.706 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.071 -1.766 9.559 1.00 0.00 H new ATOM 1181 N VAL A 77 1.824 -0.531 6.113 1.00 0.00 N ATOM 1182 CA VAL A 77 2.716 -0.109 5.084 1.00 0.00 C ATOM 1183 C VAL A 77 4.137 -0.024 5.628 1.00 0.00 C ATOM 1184 O VAL A 77 4.439 0.792 6.514 1.00 0.00 O ATOM 1185 CB VAL A 77 2.268 1.240 4.498 1.00 0.00 C ATOM 1186 CG1 VAL A 77 3.135 1.643 3.352 1.00 0.00 C ATOM 1187 CG2 VAL A 77 0.835 1.158 4.058 1.00 0.00 C ATOM 0 H VAL A 77 1.621 0.179 6.817 1.00 0.00 H new ATOM 0 HA VAL A 77 2.698 -0.844 4.279 1.00 0.00 H new ATOM 0 HB VAL A 77 2.362 1.998 5.276 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.795 2.600 2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.167 1.736 3.691 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.078 0.887 2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.526 2.118 3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.732 0.385 3.297 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.205 0.912 4.913 1.00 0.00 H new ATOM 1197 N ARG A 78 4.980 -0.879 5.121 1.00 0.00 N ATOM 1198 CA ARG A 78 6.348 -0.990 5.543 1.00 0.00 C ATOM 1199 C ARG A 78 7.261 -0.487 4.421 1.00 0.00 C ATOM 1200 O ARG A 78 7.162 -0.939 3.291 1.00 0.00 O ATOM 1201 CB ARG A 78 6.655 -2.481 5.804 1.00 0.00 C ATOM 1202 CG ARG A 78 8.043 -2.783 6.341 1.00 0.00 C ATOM 1203 CD ARG A 78 8.168 -2.412 7.798 1.00 0.00 C ATOM 1204 NE ARG A 78 7.281 -3.223 8.637 1.00 0.00 N ATOM 1205 CZ ARG A 78 7.112 -3.075 9.951 1.00 0.00 C ATOM 1206 NH1 ARG A 78 7.797 -2.149 10.618 1.00 0.00 N ATOM 1207 NH2 ARG A 78 6.282 -3.881 10.604 1.00 0.00 N ATOM 0 H ARG A 78 4.728 -1.536 4.383 1.00 0.00 H new ATOM 0 HA ARG A 78 6.514 -0.401 6.445 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.920 -2.866 6.511 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.519 -3.030 4.872 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.259 -3.844 6.215 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.785 -2.235 5.761 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.200 -2.547 8.122 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.929 -1.357 7.928 1.00 0.00 H new ATOM 0 HE ARG A 78 6.749 -3.962 8.177 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.456 -1.547 10.124 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.663 -2.041 11.623 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.777 -4.610 10.100 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.150 -3.771 11.609 1.00 0.00 H new ATOM 1221 N ARG A 79 8.111 0.451 4.710 1.00 0.00 N ATOM 1222 CA ARG A 79 9.076 0.880 3.720 1.00 0.00 C ATOM 1223 C ARG A 79 10.320 0.029 3.887 1.00 0.00 C ATOM 1224 O ARG A 79 10.913 0.004 4.967 1.00 0.00 O ATOM 1225 CB ARG A 79 9.404 2.370 3.868 1.00 0.00 C ATOM 1226 CG ARG A 79 10.432 2.873 2.863 1.00 0.00 C ATOM 1227 CD ARG A 79 10.689 4.365 3.010 1.00 0.00 C ATOM 1228 NE ARG A 79 11.120 4.726 4.365 1.00 0.00 N ATOM 1229 CZ ARG A 79 12.150 5.524 4.672 1.00 0.00 C ATOM 1230 NH1 ARG A 79 12.965 5.970 3.719 1.00 0.00 N ATOM 1231 NH2 ARG A 79 12.376 5.834 5.939 1.00 0.00 N ATOM 0 H ARG A 79 8.164 0.934 5.607 1.00 0.00 H new ATOM 0 HA ARG A 79 8.663 0.751 2.720 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.487 2.948 3.756 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.775 2.553 4.876 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.367 2.329 2.997 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.084 2.663 1.852 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.452 4.672 2.295 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.781 4.914 2.762 1.00 0.00 H new ATOM 0 HE ARG A 79 10.588 4.334 5.142 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.807 5.704 2.747 1.00 0.00 H new ATOM 0 HH12 ARG A 79 13.748 6.578 3.961 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.768 5.466 6.670 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.158 6.441 6.184 1.00 0.00 H new ATOM 1245 N ILE A 80 10.695 -0.689 2.859 1.00 0.00 N ATOM 1246 CA ILE A 80 11.823 -1.592 2.959 1.00 0.00 C ATOM 1247 C ILE A 80 12.926 -1.183 1.994 1.00 0.00 C ATOM 1248 O ILE A 80 12.651 -0.543 0.990 1.00 0.00 O ATOM 1249 CB ILE A 80 11.395 -3.101 2.749 1.00 0.00 C ATOM 1250 CG1 ILE A 80 10.824 -3.397 1.357 1.00 0.00 C ATOM 1251 CG2 ILE A 80 10.421 -3.560 3.807 1.00 0.00 C ATOM 1252 CD1 ILE A 80 11.883 -3.761 0.342 1.00 0.00 C ATOM 0 H ILE A 80 10.241 -0.669 1.946 1.00 0.00 H new ATOM 0 HA ILE A 80 12.216 -1.518 3.973 1.00 0.00 H new ATOM 0 HB ILE A 80 12.322 -3.667 2.841 1.00 0.00 H new ATOM 0 HG12 ILE A 80 10.107 -4.214 1.432 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.276 -2.524 1.003 1.00 0.00 H new ATOM 0 HG21 ILE A 80 10.152 -4.601 3.627 1.00 0.00 H new ATOM 0 HG22 ILE A 80 10.882 -3.469 4.790 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.524 -2.942 3.769 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.412 -3.958 -0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 80 12.587 -2.936 0.239 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.415 -4.652 0.675 1.00 0.00 H new ATOM 1264 N PRO A 81 14.181 -1.490 2.300 1.00 0.00 N ATOM 1265 CA PRO A 81 15.297 -1.208 1.394 1.00 0.00 C ATOM 1266 C PRO A 81 15.346 -2.225 0.247 1.00 0.00 C ATOM 1267 O PRO A 81 15.098 -3.429 0.445 1.00 0.00 O ATOM 1268 CB PRO A 81 16.511 -1.398 2.284 1.00 0.00 C ATOM 1269 CG PRO A 81 16.074 -2.440 3.253 1.00 0.00 C ATOM 1270 CD PRO A 81 14.644 -2.117 3.557 1.00 0.00 C ATOM 0 HA PRO A 81 15.226 -0.222 0.934 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.381 -1.722 1.712 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.787 -0.472 2.788 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.170 -3.439 2.827 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.683 -2.418 4.156 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.069 -3.011 3.800 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.553 -1.439 4.406 1.00 0.00 H new