USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 569 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 ASN : amide:sc= -3.9! K(o=-3.9!,f=-2.7) USER MOD Set 1.2: A 57 THR OG1 : rot 180:sc= -0.0383 USER MOD Set 2.1: A 16 TYR OH : rot 180:sc= -0.535 USER MOD Set 2.2: A 42 LYS NZ :NH3+ -98:sc= 1.23 (180deg=0.158) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -152:sc= 0.0351 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -3.21 K(o=-3.2,f=-5.8!) USER MOD Single : A 6 SER OG : rot 64:sc= 1.23 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -167:sc= 0.0256 USER MOD Single : A 19 GLN : amide:sc= -0.748 K(o=-0.75,f=-2.8!) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.304 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 30 SER OG : rot -111:sc= 1.31 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.0268 USER MOD Single : A 44 ASN : amide:sc= -1.71! C(o=-1.7!,f=-17!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.5) USER MOD Single : A 59 ASN : amide:sc= -2.55 K(o=-2.5,f=-5.1!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.628 6.596 0.266 1.00 0.00 N ATOM 2 CA MET A 1 -9.718 6.399 -0.899 1.00 0.00 C ATOM 3 C MET A 1 -8.418 5.730 -0.447 1.00 0.00 C ATOM 4 O MET A 1 -8.357 5.119 0.603 1.00 0.00 O ATOM 5 CB MET A 1 -9.442 7.807 -1.429 1.00 0.00 C ATOM 6 CG MET A 1 -9.362 7.772 -2.956 1.00 0.00 C ATOM 7 SD MET A 1 -8.271 9.096 -3.533 1.00 0.00 S ATOM 8 CE MET A 1 -8.313 8.674 -5.292 1.00 0.00 C ATOM 0 H1 MET A 1 -11.616 6.589 -0.060 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.484 5.828 0.952 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.419 7.509 0.719 1.00 0.00 H new ATOM 0 HA MET A 1 -10.157 5.756 -1.662 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.232 8.488 -1.111 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.508 8.186 -1.014 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.986 6.805 -3.289 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.356 7.892 -3.386 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.694 9.377 -5.850 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.931 7.663 -5.433 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.340 8.727 -5.655 1.00 0.00 H new ATOM 20 N VAL A 2 -7.374 5.858 -1.225 1.00 0.00 N ATOM 21 CA VAL A 2 -6.063 5.250 -0.839 1.00 0.00 C ATOM 22 C VAL A 2 -5.342 6.157 0.164 1.00 0.00 C ATOM 23 O VAL A 2 -4.422 6.873 -0.184 1.00 0.00 O ATOM 24 CB VAL A 2 -5.267 5.146 -2.146 1.00 0.00 C ATOM 25 CG1 VAL A 2 -3.898 4.521 -1.867 1.00 0.00 C ATOM 26 CG2 VAL A 2 -6.028 4.268 -3.143 1.00 0.00 C ATOM 0 H VAL A 2 -7.372 6.359 -2.114 1.00 0.00 H new ATOM 0 HA VAL A 2 -6.181 4.277 -0.362 1.00 0.00 H new ATOM 0 HB VAL A 2 -5.134 6.144 -2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.335 4.448 -2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.351 5.144 -1.159 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.032 3.525 -1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -5.461 4.195 -4.071 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -6.163 3.272 -2.721 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -7.003 4.711 -3.347 1.00 0.00 H new ATOM 36 N GLN A 3 -5.730 6.098 1.413 1.00 0.00 N ATOM 37 CA GLN A 3 -5.044 6.919 2.456 1.00 0.00 C ATOM 38 C GLN A 3 -4.506 6.018 3.569 1.00 0.00 C ATOM 39 O GLN A 3 -4.713 4.818 3.563 1.00 0.00 O ATOM 40 CB GLN A 3 -6.127 7.853 2.999 1.00 0.00 C ATOM 41 CG GLN A 3 -6.059 9.196 2.267 1.00 0.00 C ATOM 42 CD GLN A 3 -6.809 9.091 0.938 1.00 0.00 C ATOM 43 OE1 GLN A 3 -8.018 9.209 0.898 1.00 0.00 O ATOM 44 NE2 GLN A 3 -6.139 8.873 -0.160 1.00 0.00 N ATOM 0 H GLN A 3 -6.494 5.515 1.756 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.193 7.470 2.055 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.111 7.403 2.864 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.989 8.003 4.070 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -6.498 9.981 2.883 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -5.020 9.473 2.090 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -5.124 8.774 -0.127 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -6.630 8.802 -1.051 1.00 0.00 H new ATOM 53 N ARG A 4 -3.829 6.590 4.532 1.00 0.00 N ATOM 54 CA ARG A 4 -3.287 5.774 5.664 1.00 0.00 C ATOM 55 C ARG A 4 -4.432 5.093 6.421 1.00 0.00 C ATOM 56 O ARG A 4 -5.525 5.621 6.515 1.00 0.00 O ATOM 57 CB ARG A 4 -2.550 6.768 6.571 1.00 0.00 C ATOM 58 CG ARG A 4 -3.512 7.865 7.041 1.00 0.00 C ATOM 59 CD ARG A 4 -2.911 8.589 8.249 1.00 0.00 C ATOM 60 NE ARG A 4 -3.416 7.843 9.443 1.00 0.00 N ATOM 61 CZ ARG A 4 -3.441 8.397 10.639 1.00 0.00 C ATOM 62 NH1 ARG A 4 -2.982 9.610 10.846 1.00 0.00 N ATOM 63 NH2 ARG A 4 -3.932 7.722 11.643 1.00 0.00 N ATOM 0 H ARG A 4 -3.627 7.588 4.584 1.00 0.00 H new ATOM 0 HA ARG A 4 -2.622 4.983 5.316 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.133 6.246 7.432 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -1.714 7.213 6.032 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -3.695 8.574 6.233 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -4.475 7.429 7.307 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.822 8.581 8.211 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -3.221 9.634 8.277 1.00 0.00 H new ATOM 0 HE ARG A 4 -3.748 6.885 9.329 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.594 10.148 10.071 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.014 10.014 11.782 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.290 6.778 11.497 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.957 8.138 12.574 1.00 0.00 H new ATOM 77 N GLY A 5 -4.179 3.936 6.978 1.00 0.00 N ATOM 78 CA GLY A 5 -5.240 3.223 7.750 1.00 0.00 C ATOM 79 C GLY A 5 -5.882 2.151 6.868 1.00 0.00 C ATOM 80 O GLY A 5 -6.317 1.120 7.347 1.00 0.00 O ATOM 0 H GLY A 5 -3.281 3.454 6.931 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.810 2.766 8.641 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -5.996 3.931 8.088 1.00 0.00 H new ATOM 84 N SER A 6 -5.929 2.382 5.580 1.00 0.00 N ATOM 85 CA SER A 6 -6.525 1.373 4.654 1.00 0.00 C ATOM 86 C SER A 6 -5.449 0.396 4.172 1.00 0.00 C ATOM 87 O SER A 6 -4.275 0.717 4.147 1.00 0.00 O ATOM 88 CB SER A 6 -7.075 2.186 3.483 1.00 0.00 C ATOM 89 OG SER A 6 -8.303 1.616 3.051 1.00 0.00 O ATOM 0 H SER A 6 -5.579 3.228 5.130 1.00 0.00 H new ATOM 0 HA SER A 6 -7.300 0.778 5.136 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.228 3.222 3.785 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.357 2.196 2.663 1.00 0.00 H new ATOM 0 HG SER A 6 -8.968 1.690 3.767 1.00 0.00 H new ATOM 95 N LYS A 7 -5.846 -0.782 3.762 1.00 0.00 N ATOM 96 CA LYS A 7 -4.857 -1.774 3.245 1.00 0.00 C ATOM 97 C LYS A 7 -5.004 -1.925 1.728 1.00 0.00 C ATOM 98 O LYS A 7 -6.030 -2.354 1.236 1.00 0.00 O ATOM 99 CB LYS A 7 -5.206 -3.085 3.951 1.00 0.00 C ATOM 100 CG LYS A 7 -4.718 -3.031 5.400 1.00 0.00 C ATOM 101 CD LYS A 7 -4.962 -4.383 6.072 1.00 0.00 C ATOM 102 CE LYS A 7 -6.450 -4.531 6.395 1.00 0.00 C ATOM 103 NZ LYS A 7 -6.665 -5.997 6.551 1.00 0.00 N ATOM 0 H LYS A 7 -6.815 -1.100 3.763 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.828 -1.470 3.436 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.283 -3.249 3.925 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.744 -3.924 3.432 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.656 -2.785 5.428 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.242 -2.244 5.942 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.639 -5.191 5.415 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.371 -4.459 6.985 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.712 -3.994 7.307 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.070 -4.124 5.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.664 -6.180 6.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.414 -6.481 5.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.067 -6.355 7.323 1.00 0.00 H new ATOM 117 N VAL A 8 -3.971 -1.607 0.990 1.00 0.00 N ATOM 118 CA VAL A 8 -4.028 -1.763 -0.496 1.00 0.00 C ATOM 119 C VAL A 8 -3.127 -2.920 -0.942 1.00 0.00 C ATOM 120 O VAL A 8 -2.197 -3.295 -0.252 1.00 0.00 O ATOM 121 CB VAL A 8 -3.522 -0.431 -1.063 1.00 0.00 C ATOM 122 CG1 VAL A 8 -4.454 0.698 -0.615 1.00 0.00 C ATOM 123 CG2 VAL A 8 -2.104 -0.147 -0.554 1.00 0.00 C ATOM 0 H VAL A 8 -3.089 -1.245 1.353 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.034 -1.993 -0.847 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.507 -0.490 -2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.096 1.646 -1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.462 0.505 -0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.468 0.748 0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.754 0.801 -0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.112 -0.092 0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.436 -0.948 -0.872 1.00 0.00 H new ATOM 133 N ARG A 9 -3.374 -3.458 -2.110 1.00 0.00 N ATOM 134 CA ARG A 9 -2.510 -4.560 -2.631 1.00 0.00 C ATOM 135 C ARG A 9 -1.208 -3.987 -3.199 1.00 0.00 C ATOM 136 O ARG A 9 -1.147 -2.838 -3.594 1.00 0.00 O ATOM 137 CB ARG A 9 -3.332 -5.222 -3.737 1.00 0.00 C ATOM 138 CG ARG A 9 -4.176 -6.350 -3.141 1.00 0.00 C ATOM 139 CD ARG A 9 -4.458 -7.401 -4.216 1.00 0.00 C ATOM 140 NE ARG A 9 -5.857 -7.858 -3.952 1.00 0.00 N ATOM 141 CZ ARG A 9 -6.135 -8.689 -2.967 1.00 0.00 C ATOM 142 NH1 ARG A 9 -5.203 -9.120 -2.147 1.00 0.00 N ATOM 143 NH2 ARG A 9 -7.364 -9.093 -2.803 1.00 0.00 N ATOM 0 H ARG A 9 -4.138 -3.181 -2.726 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.232 -5.269 -1.852 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.977 -4.485 -4.216 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.671 -5.617 -4.509 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.652 -6.806 -2.301 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.113 -5.951 -2.753 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.363 -6.978 -5.216 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.753 -8.230 -4.152 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.613 -7.519 -4.547 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.238 -8.812 -2.265 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.445 -9.763 -1.393 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.097 -8.766 -3.433 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.593 -9.736 -2.045 1.00 0.00 H new ATOM 157 N ILE A 10 -0.168 -4.781 -3.237 1.00 0.00 N ATOM 158 CA ILE A 10 1.137 -4.291 -3.775 1.00 0.00 C ATOM 159 C ILE A 10 1.309 -4.744 -5.230 1.00 0.00 C ATOM 160 O ILE A 10 1.320 -5.926 -5.521 1.00 0.00 O ATOM 161 CB ILE A 10 2.206 -4.931 -2.879 1.00 0.00 C ATOM 162 CG1 ILE A 10 1.983 -4.511 -1.415 1.00 0.00 C ATOM 163 CG2 ILE A 10 3.599 -4.484 -3.334 1.00 0.00 C ATOM 164 CD1 ILE A 10 2.069 -2.986 -1.276 1.00 0.00 C ATOM 0 H ILE A 10 -0.167 -5.750 -2.918 1.00 0.00 H new ATOM 0 HA ILE A 10 1.205 -3.203 -3.770 1.00 0.00 H new ATOM 0 HB ILE A 10 2.131 -6.016 -2.957 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.008 -4.859 -1.075 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.730 -4.983 -0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.355 -4.941 -2.695 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.761 -4.794 -4.366 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.673 -3.399 -3.265 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.909 -2.706 -0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.054 -2.646 -1.596 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.305 -2.520 -1.898 1.00 0.00 H new ATOM 176 N LEU A 11 1.502 -3.813 -6.129 1.00 0.00 N ATOM 177 CA LEU A 11 1.745 -4.182 -7.557 1.00 0.00 C ATOM 178 C LEU A 11 3.231 -4.035 -7.892 1.00 0.00 C ATOM 179 O LEU A 11 3.592 -3.608 -8.974 1.00 0.00 O ATOM 180 CB LEU A 11 0.908 -3.188 -8.372 1.00 0.00 C ATOM 181 CG LEU A 11 -0.539 -3.686 -8.509 1.00 0.00 C ATOM 182 CD1 LEU A 11 -0.563 -5.030 -9.242 1.00 0.00 C ATOM 183 CD2 LEU A 11 -1.169 -3.850 -7.120 1.00 0.00 C ATOM 0 H LEU A 11 1.502 -2.811 -5.936 1.00 0.00 H new ATOM 0 HA LEU A 11 1.471 -5.215 -7.771 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.918 -2.212 -7.887 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.349 -3.057 -9.360 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.110 -2.954 -9.080 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.593 -5.376 -9.335 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.130 -4.911 -10.235 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.016 -5.762 -8.679 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.195 -4.203 -7.225 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.593 -4.573 -6.543 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.167 -2.890 -6.604 1.00 0.00 H new ATOM 195 N ARG A 12 4.093 -4.410 -6.982 1.00 0.00 N ATOM 196 CA ARG A 12 5.560 -4.323 -7.249 1.00 0.00 C ATOM 197 C ARG A 12 6.179 -5.730 -7.279 1.00 0.00 C ATOM 198 O ARG A 12 6.651 -6.212 -6.268 1.00 0.00 O ATOM 199 CB ARG A 12 6.126 -3.513 -6.082 1.00 0.00 C ATOM 200 CG ARG A 12 7.425 -2.830 -6.515 1.00 0.00 C ATOM 201 CD ARG A 12 7.614 -1.536 -5.719 1.00 0.00 C ATOM 202 NE ARG A 12 9.073 -1.492 -5.394 1.00 0.00 N ATOM 203 CZ ARG A 12 9.978 -1.267 -6.326 1.00 0.00 C ATOM 204 NH1 ARG A 12 9.638 -1.029 -7.573 1.00 0.00 N ATOM 205 NH2 ARG A 12 11.242 -1.280 -6.003 1.00 0.00 N ATOM 0 H ARG A 12 3.843 -4.774 -6.063 1.00 0.00 H new ATOM 0 HA ARG A 12 5.778 -3.860 -8.211 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.401 -2.766 -5.759 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.313 -4.166 -5.229 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.271 -3.497 -6.350 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.395 -2.611 -7.582 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.313 -0.666 -6.303 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.008 -1.537 -4.813 1.00 0.00 H new ATOM 0 HE ARG A 12 9.374 -1.639 -4.431 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.654 -1.015 -7.839 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.359 -0.858 -8.274 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.520 -1.463 -5.039 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.952 -1.107 -6.715 1.00 0.00 H new ATOM 219 N PRO A 13 6.161 -6.355 -8.442 1.00 0.00 N ATOM 220 CA PRO A 13 6.736 -7.725 -8.581 1.00 0.00 C ATOM 221 C PRO A 13 8.175 -7.775 -8.051 1.00 0.00 C ATOM 222 O PRO A 13 8.639 -8.801 -7.590 1.00 0.00 O ATOM 223 CB PRO A 13 6.713 -7.974 -10.087 1.00 0.00 C ATOM 224 CG PRO A 13 5.635 -7.081 -10.608 1.00 0.00 C ATOM 225 CD PRO A 13 5.612 -5.867 -9.719 1.00 0.00 C ATOM 0 HA PRO A 13 6.180 -8.472 -8.014 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.675 -7.738 -10.541 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.503 -9.020 -10.311 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.832 -6.799 -11.642 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.671 -7.589 -10.594 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.216 -5.058 -10.131 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.600 -5.480 -9.597 1.00 0.00 H new ATOM 233 N GLU A 14 8.863 -6.663 -8.076 1.00 0.00 N ATOM 234 CA GLU A 14 10.256 -6.625 -7.532 1.00 0.00 C ATOM 235 C GLU A 14 10.229 -6.639 -6.001 1.00 0.00 C ATOM 236 O GLU A 14 11.163 -7.088 -5.362 1.00 0.00 O ATOM 237 CB GLU A 14 10.850 -5.311 -8.045 1.00 0.00 C ATOM 238 CG GLU A 14 12.347 -5.270 -7.731 1.00 0.00 C ATOM 239 CD GLU A 14 12.994 -4.102 -8.475 1.00 0.00 C ATOM 240 OE1 GLU A 14 12.462 -3.007 -8.396 1.00 0.00 O ATOM 241 OE2 GLU A 14 14.012 -4.322 -9.113 1.00 0.00 O ATOM 0 H GLU A 14 8.521 -5.778 -8.450 1.00 0.00 H new ATOM 0 HA GLU A 14 10.843 -7.488 -7.847 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.691 -5.223 -9.120 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.346 -4.465 -7.577 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.501 -5.161 -6.657 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.817 -6.208 -8.027 1.00 0.00 H new ATOM 248 N SER A 15 9.171 -6.143 -5.411 1.00 0.00 N ATOM 249 CA SER A 15 9.083 -6.115 -3.919 1.00 0.00 C ATOM 250 C SER A 15 8.756 -7.511 -3.380 1.00 0.00 C ATOM 251 O SER A 15 7.906 -8.204 -3.909 1.00 0.00 O ATOM 252 CB SER A 15 7.949 -5.139 -3.602 1.00 0.00 C ATOM 253 OG SER A 15 8.007 -4.784 -2.227 1.00 0.00 O ATOM 0 H SER A 15 8.363 -5.756 -5.899 1.00 0.00 H new ATOM 0 HA SER A 15 10.022 -5.809 -3.459 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.036 -4.248 -4.224 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.986 -5.595 -3.832 1.00 0.00 H new ATOM 0 HG SER A 15 7.177 -4.331 -1.971 1.00 0.00 H new ATOM 259 N TYR A 16 9.368 -7.891 -2.288 1.00 0.00 N ATOM 260 CA TYR A 16 9.035 -9.205 -1.651 1.00 0.00 C ATOM 261 C TYR A 16 7.549 -9.260 -1.278 1.00 0.00 C ATOM 262 O TYR A 16 6.983 -10.325 -1.120 1.00 0.00 O ATOM 263 CB TYR A 16 9.905 -9.276 -0.393 1.00 0.00 C ATOM 264 CG TYR A 16 9.719 -10.616 0.278 1.00 0.00 C ATOM 265 CD1 TYR A 16 8.576 -10.857 1.051 1.00 0.00 C ATOM 266 CD2 TYR A 16 10.686 -11.617 0.128 1.00 0.00 C ATOM 267 CE1 TYR A 16 8.401 -12.099 1.674 1.00 0.00 C ATOM 268 CE2 TYR A 16 10.511 -12.858 0.751 1.00 0.00 C ATOM 269 CZ TYR A 16 9.369 -13.099 1.523 1.00 0.00 C ATOM 270 OH TYR A 16 9.198 -14.324 2.137 1.00 0.00 O ATOM 0 H TYR A 16 10.086 -7.348 -1.807 1.00 0.00 H new ATOM 0 HA TYR A 16 9.223 -10.042 -2.324 1.00 0.00 H new ATOM 0 HB2 TYR A 16 10.953 -9.132 -0.655 1.00 0.00 H new ATOM 0 HB3 TYR A 16 9.635 -8.474 0.294 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.830 -10.085 1.167 1.00 0.00 H new ATOM 0 HD2 TYR A 16 11.567 -11.432 -0.468 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.520 -12.285 2.270 1.00 0.00 H new ATOM 0 HE2 TYR A 16 11.258 -13.630 0.636 1.00 0.00 H new ATOM 0 HH TYR A 16 9.961 -14.903 1.929 1.00 0.00 H new ATOM 280 N TRP A 17 6.931 -8.122 -1.079 1.00 0.00 N ATOM 281 CA TRP A 17 5.501 -8.106 -0.646 1.00 0.00 C ATOM 282 C TRP A 17 4.579 -7.947 -1.859 1.00 0.00 C ATOM 283 O TRP A 17 3.533 -7.330 -1.774 1.00 0.00 O ATOM 284 CB TRP A 17 5.379 -6.894 0.280 1.00 0.00 C ATOM 285 CG TRP A 17 6.255 -7.086 1.476 1.00 0.00 C ATOM 286 CD1 TRP A 17 6.146 -8.100 2.365 1.00 0.00 C ATOM 287 CD2 TRP A 17 7.368 -6.261 1.929 1.00 0.00 C ATOM 288 NE1 TRP A 17 7.122 -7.951 3.334 1.00 0.00 N ATOM 289 CE2 TRP A 17 7.900 -6.832 3.109 1.00 0.00 C ATOM 290 CE3 TRP A 17 7.962 -5.086 1.435 1.00 0.00 C ATOM 291 CZ2 TRP A 17 8.982 -6.257 3.776 1.00 0.00 C ATOM 292 CZ3 TRP A 17 9.051 -4.504 2.103 1.00 0.00 C ATOM 293 CH2 TRP A 17 9.560 -5.088 3.271 1.00 0.00 C ATOM 0 H TRP A 17 7.356 -7.203 -1.198 1.00 0.00 H new ATOM 0 HA TRP A 17 5.213 -9.032 -0.148 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.666 -5.987 -0.252 1.00 0.00 H new ATOM 0 HB3 TRP A 17 4.343 -6.765 0.593 1.00 0.00 H new ATOM 0 HD1 TRP A 17 5.417 -8.895 2.325 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.251 -8.590 4.119 1.00 0.00 H new ATOM 0 HE3 TRP A 17 7.578 -4.628 0.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 9.370 -6.711 4.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 9.499 -3.601 1.715 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.398 -4.636 3.781 1.00 0.00 H new ATOM 304 N PHE A 18 4.924 -8.558 -2.965 1.00 0.00 N ATOM 305 CA PHE A 18 4.030 -8.512 -4.162 1.00 0.00 C ATOM 306 C PHE A 18 2.803 -9.398 -3.939 1.00 0.00 C ATOM 307 O PHE A 18 2.834 -10.334 -3.163 1.00 0.00 O ATOM 308 CB PHE A 18 4.877 -9.050 -5.317 1.00 0.00 C ATOM 309 CG PHE A 18 4.132 -8.862 -6.617 1.00 0.00 C ATOM 310 CD1 PHE A 18 3.781 -7.576 -7.041 1.00 0.00 C ATOM 311 CD2 PHE A 18 3.792 -9.973 -7.397 1.00 0.00 C ATOM 312 CE1 PHE A 18 3.089 -7.400 -8.246 1.00 0.00 C ATOM 313 CE2 PHE A 18 3.101 -9.799 -8.602 1.00 0.00 C ATOM 314 CZ PHE A 18 2.749 -8.512 -9.026 1.00 0.00 C ATOM 0 H PHE A 18 5.787 -9.087 -3.090 1.00 0.00 H new ATOM 0 HA PHE A 18 3.664 -7.505 -4.363 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.833 -8.528 -5.355 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.096 -10.106 -5.160 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.044 -6.719 -6.439 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.063 -10.966 -7.069 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.818 -6.407 -8.573 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.840 -10.657 -9.204 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.215 -8.377 -9.955 1.00 0.00 H new ATOM 324 N GLN A 19 1.726 -9.126 -4.638 1.00 0.00 N ATOM 325 CA GLN A 19 0.487 -9.964 -4.504 1.00 0.00 C ATOM 326 C GLN A 19 0.067 -10.083 -3.034 1.00 0.00 C ATOM 327 O GLN A 19 -0.576 -11.038 -2.641 1.00 0.00 O ATOM 328 CB GLN A 19 0.862 -11.337 -5.070 1.00 0.00 C ATOM 329 CG GLN A 19 0.837 -11.285 -6.599 1.00 0.00 C ATOM 330 CD GLN A 19 1.673 -12.435 -7.162 1.00 0.00 C ATOM 331 OE1 GLN A 19 2.585 -12.913 -6.516 1.00 0.00 O ATOM 332 NE2 GLN A 19 1.400 -12.904 -8.349 1.00 0.00 N ATOM 0 H GLN A 19 1.650 -8.354 -5.301 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.357 -9.523 -5.034 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.853 -11.627 -4.722 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.164 -12.093 -4.710 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.189 -11.357 -6.959 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.231 -10.330 -6.948 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.635 -12.504 -8.892 1.00 0.00 H new ATOM 0 HE22 GLN A 19 1.952 -13.671 -8.734 1.00 0.00 H new ATOM 341 N ASP A 20 0.407 -9.107 -2.231 1.00 0.00 N ATOM 342 CA ASP A 20 0.006 -9.139 -0.792 1.00 0.00 C ATOM 343 C ASP A 20 -0.816 -7.897 -0.443 1.00 0.00 C ATOM 344 O ASP A 20 -1.012 -7.021 -1.267 1.00 0.00 O ATOM 345 CB ASP A 20 1.324 -9.147 -0.015 1.00 0.00 C ATOM 346 CG ASP A 20 1.807 -10.588 0.157 1.00 0.00 C ATOM 347 OD1 ASP A 20 1.962 -11.264 -0.846 1.00 0.00 O ATOM 348 OD2 ASP A 20 2.013 -10.991 1.289 1.00 0.00 O ATOM 0 H ASP A 20 0.946 -8.288 -2.511 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.613 -10.004 -0.555 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.075 -8.562 -0.546 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.186 -8.680 0.960 1.00 0.00 H new ATOM 353 N VAL A 21 -1.278 -7.804 0.778 1.00 0.00 N ATOM 354 CA VAL A 21 -2.069 -6.608 1.198 1.00 0.00 C ATOM 355 C VAL A 21 -1.424 -5.960 2.428 1.00 0.00 C ATOM 356 O VAL A 21 -1.562 -6.442 3.537 1.00 0.00 O ATOM 357 CB VAL A 21 -3.463 -7.148 1.537 1.00 0.00 C ATOM 358 CG1 VAL A 21 -4.370 -5.995 1.977 1.00 0.00 C ATOM 359 CG2 VAL A 21 -4.069 -7.821 0.302 1.00 0.00 C ATOM 0 H VAL A 21 -1.141 -8.507 1.504 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.112 -5.845 0.421 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.377 -7.875 2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.360 -6.382 2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.945 -5.514 2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.451 -5.267 1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.060 -8.204 0.546 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.150 -7.094 -0.506 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.429 -8.645 -0.014 1.00 0.00 H new ATOM 369 N GLY A 22 -0.751 -4.854 2.241 1.00 0.00 N ATOM 370 CA GLY A 22 -0.129 -4.144 3.397 1.00 0.00 C ATOM 371 C GLY A 22 -0.982 -2.932 3.774 1.00 0.00 C ATOM 372 O GLY A 22 -1.919 -2.584 3.080 1.00 0.00 O ATOM 0 H GLY A 22 -0.605 -4.411 1.334 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.043 -4.820 4.248 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.881 -3.825 3.140 1.00 0.00 H new ATOM 376 N THR A 23 -0.646 -2.273 4.853 1.00 0.00 N ATOM 377 CA THR A 23 -1.414 -1.061 5.267 1.00 0.00 C ATOM 378 C THR A 23 -0.634 0.207 4.911 1.00 0.00 C ATOM 379 O THR A 23 0.579 0.243 4.999 1.00 0.00 O ATOM 380 CB THR A 23 -1.569 -1.188 6.783 1.00 0.00 C ATOM 381 OG1 THR A 23 -1.980 -2.509 7.106 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.616 -0.190 7.277 1.00 0.00 C ATOM 0 H THR A 23 0.129 -2.523 5.467 1.00 0.00 H new ATOM 0 HA THR A 23 -2.378 -0.992 4.764 1.00 0.00 H new ATOM 0 HB THR A 23 -0.615 -0.976 7.265 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.078 -2.593 8.077 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.725 -0.282 8.358 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.299 0.823 7.029 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.572 -0.398 6.797 1.00 0.00 H new ATOM 390 N VAL A 24 -1.325 1.253 4.536 1.00 0.00 N ATOM 391 CA VAL A 24 -0.633 2.536 4.203 1.00 0.00 C ATOM 392 C VAL A 24 -0.292 3.295 5.489 1.00 0.00 C ATOM 393 O VAL A 24 -1.124 3.464 6.360 1.00 0.00 O ATOM 394 CB VAL A 24 -1.638 3.326 3.357 1.00 0.00 C ATOM 395 CG1 VAL A 24 -1.025 4.668 2.947 1.00 0.00 C ATOM 396 CG2 VAL A 24 -1.989 2.528 2.098 1.00 0.00 C ATOM 0 H VAL A 24 -2.341 1.274 4.446 1.00 0.00 H new ATOM 0 HA VAL A 24 0.304 2.376 3.669 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.540 3.501 3.944 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.742 5.227 2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.775 5.241 3.839 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.121 4.492 2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.704 3.091 1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.085 2.352 1.515 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.429 1.572 2.384 1.00 0.00 H new ATOM 406 N ALA A 25 0.920 3.779 5.597 1.00 0.00 N ATOM 407 CA ALA A 25 1.315 4.562 6.806 1.00 0.00 C ATOM 408 C ALA A 25 0.891 6.025 6.653 1.00 0.00 C ATOM 409 O ALA A 25 0.111 6.538 7.433 1.00 0.00 O ATOM 410 CB ALA A 25 2.839 4.449 6.870 1.00 0.00 C ATOM 0 H ALA A 25 1.654 3.665 4.898 1.00 0.00 H new ATOM 0 HA ALA A 25 0.839 4.188 7.713 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.209 5.000 7.735 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.123 3.400 6.960 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.273 4.866 5.961 1.00 0.00 H new ATOM 416 N SER A 26 1.375 6.687 5.633 1.00 0.00 N ATOM 417 CA SER A 26 0.981 8.108 5.399 1.00 0.00 C ATOM 418 C SER A 26 1.430 8.560 4.006 1.00 0.00 C ATOM 419 O SER A 26 1.993 7.792 3.249 1.00 0.00 O ATOM 420 CB SER A 26 1.708 8.905 6.481 1.00 0.00 C ATOM 421 OG SER A 26 3.087 8.562 6.468 1.00 0.00 O ATOM 0 H SER A 26 2.028 6.303 4.950 1.00 0.00 H new ATOM 0 HA SER A 26 -0.099 8.249 5.446 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.585 9.974 6.306 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.277 8.690 7.459 1.00 0.00 H new ATOM 0 HG SER A 26 3.558 9.072 7.160 1.00 0.00 H new ATOM 427 N VAL A 27 1.218 9.810 3.681 1.00 0.00 N ATOM 428 CA VAL A 27 1.666 10.332 2.355 1.00 0.00 C ATOM 429 C VAL A 27 2.697 11.449 2.556 1.00 0.00 C ATOM 430 O VAL A 27 2.410 12.469 3.152 1.00 0.00 O ATOM 431 CB VAL A 27 0.398 10.879 1.690 1.00 0.00 C ATOM 432 CG1 VAL A 27 0.741 11.437 0.306 1.00 0.00 C ATOM 433 CG2 VAL A 27 -0.628 9.752 1.537 1.00 0.00 C ATOM 0 H VAL A 27 0.753 10.493 4.279 1.00 0.00 H new ATOM 0 HA VAL A 27 2.141 9.564 1.745 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.018 11.673 2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.163 11.825 -0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.471 12.240 0.408 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.160 10.643 -0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.529 10.142 1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.208 8.959 0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.878 9.352 2.520 1.00 0.00 H new ATOM 443 N ASP A 28 3.888 11.264 2.045 1.00 0.00 N ATOM 444 CA ASP A 28 4.940 12.317 2.185 1.00 0.00 C ATOM 445 C ASP A 28 5.037 13.141 0.898 1.00 0.00 C ATOM 446 O ASP A 28 5.712 12.763 -0.041 1.00 0.00 O ATOM 447 CB ASP A 28 6.239 11.548 2.428 1.00 0.00 C ATOM 448 CG ASP A 28 7.267 12.475 3.080 1.00 0.00 C ATOM 449 OD1 ASP A 28 7.341 13.623 2.675 1.00 0.00 O ATOM 450 OD2 ASP A 28 7.962 12.020 3.975 1.00 0.00 O ATOM 0 H ASP A 28 4.178 10.429 1.536 1.00 0.00 H new ATOM 0 HA ASP A 28 4.722 13.015 2.993 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.050 10.688 3.070 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.628 11.162 1.485 1.00 0.00 H new ATOM 455 N GLN A 29 4.392 14.279 0.864 1.00 0.00 N ATOM 456 CA GLN A 29 4.470 15.155 -0.343 1.00 0.00 C ATOM 457 C GLN A 29 5.726 16.029 -0.282 1.00 0.00 C ATOM 458 O GLN A 29 5.667 17.188 0.086 1.00 0.00 O ATOM 459 CB GLN A 29 3.210 16.021 -0.287 1.00 0.00 C ATOM 460 CG GLN A 29 2.719 16.301 -1.708 1.00 0.00 C ATOM 461 CD GLN A 29 1.677 15.254 -2.104 1.00 0.00 C ATOM 462 OE1 GLN A 29 2.008 14.110 -2.343 1.00 0.00 O ATOM 463 NE2 GLN A 29 0.420 15.599 -2.182 1.00 0.00 N ATOM 0 H GLN A 29 3.813 14.640 1.622 1.00 0.00 H new ATOM 0 HA GLN A 29 4.528 14.580 -1.267 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.433 15.514 0.284 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.423 16.958 0.227 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.286 17.300 -1.764 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.557 16.277 -2.405 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.141 16.559 -1.981 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.283 14.908 -2.443 1.00 0.00 H new ATOM 472 N SER A 30 6.856 15.486 -0.658 1.00 0.00 N ATOM 473 CA SER A 30 8.119 16.283 -0.644 1.00 0.00 C ATOM 474 C SER A 30 8.904 16.051 -1.939 1.00 0.00 C ATOM 475 O SER A 30 8.969 16.912 -2.796 1.00 0.00 O ATOM 476 CB SER A 30 8.903 15.762 0.559 1.00 0.00 C ATOM 477 OG SER A 30 8.950 14.342 0.509 1.00 0.00 O ATOM 0 H SER A 30 6.958 14.522 -0.975 1.00 0.00 H new ATOM 0 HA SER A 30 7.931 17.354 -0.574 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.913 16.171 0.554 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.431 16.089 1.485 1.00 0.00 H new ATOM 0 HG SER A 30 8.411 13.971 1.238 1.00 0.00 H new ATOM 483 N GLY A 31 9.481 14.886 -2.091 1.00 0.00 N ATOM 484 CA GLY A 31 10.242 14.579 -3.338 1.00 0.00 C ATOM 485 C GLY A 31 10.698 13.120 -3.312 1.00 0.00 C ATOM 486 O GLY A 31 11.877 12.829 -3.382 1.00 0.00 O ATOM 0 H GLY A 31 9.457 14.133 -1.403 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.616 14.760 -4.212 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.105 15.239 -3.422 1.00 0.00 H new ATOM 490 N ILE A 32 9.767 12.200 -3.255 1.00 0.00 N ATOM 491 CA ILE A 32 10.134 10.752 -3.275 1.00 0.00 C ATOM 492 C ILE A 32 9.493 10.058 -4.481 1.00 0.00 C ATOM 493 O ILE A 32 8.399 10.400 -4.895 1.00 0.00 O ATOM 494 CB ILE A 32 9.588 10.178 -1.962 1.00 0.00 C ATOM 495 CG1 ILE A 32 8.073 10.399 -1.883 1.00 0.00 C ATOM 496 CG2 ILE A 32 10.262 10.878 -0.781 1.00 0.00 C ATOM 497 CD1 ILE A 32 7.511 9.663 -0.665 1.00 0.00 C ATOM 0 H ILE A 32 8.767 12.391 -3.195 1.00 0.00 H new ATOM 0 HA ILE A 32 11.210 10.602 -3.362 1.00 0.00 H new ATOM 0 HB ILE A 32 9.798 9.109 -1.926 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.854 11.464 -1.810 1.00 0.00 H new ATOM 0 HG13 ILE A 32 7.594 10.037 -2.793 1.00 0.00 H new ATOM 0 HG21 ILE A 32 9.874 10.471 0.153 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.339 10.716 -0.828 1.00 0.00 H new ATOM 0 HG23 ILE A 32 10.054 11.947 -0.825 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.434 9.821 -0.610 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.717 8.597 -0.757 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.981 10.047 0.241 1.00 0.00 H new ATOM 509 N LYS A 33 10.169 9.093 -5.050 1.00 0.00 N ATOM 510 CA LYS A 33 9.608 8.377 -6.238 1.00 0.00 C ATOM 511 C LYS A 33 8.330 7.623 -5.852 1.00 0.00 C ATOM 512 O LYS A 33 7.424 7.477 -6.651 1.00 0.00 O ATOM 513 CB LYS A 33 10.704 7.399 -6.682 1.00 0.00 C ATOM 514 CG LYS A 33 11.044 6.435 -5.539 1.00 0.00 C ATOM 515 CD LYS A 33 12.551 6.167 -5.524 1.00 0.00 C ATOM 516 CE LYS A 33 12.933 5.321 -6.741 1.00 0.00 C ATOM 517 NZ LYS A 33 14.250 5.855 -7.183 1.00 0.00 N ATOM 0 H LYS A 33 11.086 8.769 -4.744 1.00 0.00 H new ATOM 0 HA LYS A 33 9.337 9.066 -7.039 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.370 6.838 -7.554 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.596 7.951 -6.980 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.731 6.861 -4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.499 5.499 -5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 33 13.099 7.109 -5.537 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.830 5.649 -4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.002 4.265 -6.481 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.187 5.407 -7.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.578 5.324 -8.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.152 6.860 -7.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.942 5.754 -6.413 1.00 0.00 H new ATOM 531 N TYR A 34 8.214 7.230 -4.607 1.00 0.00 N ATOM 532 CA TYR A 34 6.953 6.587 -4.135 1.00 0.00 C ATOM 533 C TYR A 34 6.247 7.490 -3.110 1.00 0.00 C ATOM 534 O TYR A 34 6.527 7.408 -1.930 1.00 0.00 O ATOM 535 CB TYR A 34 7.394 5.276 -3.480 1.00 0.00 C ATOM 536 CG TYR A 34 8.019 4.371 -4.518 1.00 0.00 C ATOM 537 CD1 TYR A 34 7.327 4.071 -5.699 1.00 0.00 C ATOM 538 CD2 TYR A 34 9.291 3.831 -4.297 1.00 0.00 C ATOM 539 CE1 TYR A 34 7.907 3.232 -6.657 1.00 0.00 C ATOM 540 CE2 TYR A 34 9.872 2.992 -5.255 1.00 0.00 C ATOM 541 CZ TYR A 34 9.180 2.693 -6.435 1.00 0.00 C ATOM 542 OH TYR A 34 9.752 1.865 -7.380 1.00 0.00 O ATOM 0 H TYR A 34 8.941 7.328 -3.898 1.00 0.00 H new ATOM 0 HA TYR A 34 6.248 6.418 -4.949 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.109 5.479 -2.683 1.00 0.00 H new ATOM 0 HB3 TYR A 34 6.538 4.782 -3.021 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.345 4.488 -5.870 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.825 4.062 -3.387 1.00 0.00 H new ATOM 0 HE1 TYR A 34 7.373 3.000 -7.567 1.00 0.00 H new ATOM 0 HE2 TYR A 34 10.854 2.575 -5.084 1.00 0.00 H new ATOM 0 HH TYR A 34 10.637 1.578 -7.071 1.00 0.00 H new ATOM 552 N PRO A 35 5.350 8.331 -3.588 1.00 0.00 N ATOM 553 CA PRO A 35 4.608 9.253 -2.680 1.00 0.00 C ATOM 554 C PRO A 35 3.946 8.482 -1.529 1.00 0.00 C ATOM 555 O PRO A 35 3.773 9.005 -0.445 1.00 0.00 O ATOM 556 CB PRO A 35 3.547 9.874 -3.586 1.00 0.00 C ATOM 557 CG PRO A 35 4.107 9.764 -4.966 1.00 0.00 C ATOM 558 CD PRO A 35 4.941 8.511 -4.992 1.00 0.00 C ATOM 0 HA PRO A 35 5.259 9.992 -2.212 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.597 9.346 -3.502 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.358 10.914 -3.318 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.308 9.713 -5.706 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.712 10.637 -5.210 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.369 7.657 -5.354 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.804 8.618 -5.649 1.00 0.00 H new ATOM 566 N VAL A 36 3.464 7.294 -1.799 1.00 0.00 N ATOM 567 CA VAL A 36 2.681 6.547 -0.768 1.00 0.00 C ATOM 568 C VAL A 36 3.586 5.538 -0.053 1.00 0.00 C ATOM 569 O VAL A 36 4.249 4.733 -0.680 1.00 0.00 O ATOM 570 CB VAL A 36 1.574 5.825 -1.547 1.00 0.00 C ATOM 571 CG1 VAL A 36 0.680 5.048 -0.575 1.00 0.00 C ATOM 572 CG2 VAL A 36 0.722 6.851 -2.300 1.00 0.00 C ATOM 0 H VAL A 36 3.579 6.810 -2.689 1.00 0.00 H new ATOM 0 HA VAL A 36 2.270 7.206 -0.003 1.00 0.00 H new ATOM 0 HB VAL A 36 2.030 5.134 -2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.105 4.537 -1.132 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.280 4.314 -0.036 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.228 5.740 0.136 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.064 6.336 -2.853 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.271 7.542 -1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.351 7.406 -2.996 1.00 0.00 H new ATOM 582 N ILE A 37 3.546 5.520 1.255 1.00 0.00 N ATOM 583 CA ILE A 37 4.326 4.500 2.021 1.00 0.00 C ATOM 584 C ILE A 37 3.409 3.339 2.422 1.00 0.00 C ATOM 585 O ILE A 37 2.201 3.477 2.462 1.00 0.00 O ATOM 586 CB ILE A 37 4.843 5.239 3.261 1.00 0.00 C ATOM 587 CG1 ILE A 37 5.735 6.409 2.828 1.00 0.00 C ATOM 588 CG2 ILE A 37 5.659 4.279 4.132 1.00 0.00 C ATOM 589 CD1 ILE A 37 5.524 7.591 3.776 1.00 0.00 C ATOM 0 H ILE A 37 3.006 6.169 1.827 1.00 0.00 H new ATOM 0 HA ILE A 37 5.143 4.075 1.438 1.00 0.00 H new ATOM 0 HB ILE A 37 3.994 5.617 3.831 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.782 6.105 2.837 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.497 6.702 1.806 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.025 4.808 5.012 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.029 3.446 4.445 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.505 3.899 3.560 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.158 8.422 3.468 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.479 7.901 3.745 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.784 7.294 4.792 1.00 0.00 H new ATOM 601 N VAL A 38 3.980 2.203 2.736 1.00 0.00 N ATOM 602 CA VAL A 38 3.150 1.031 3.155 1.00 0.00 C ATOM 603 C VAL A 38 3.848 0.275 4.290 1.00 0.00 C ATOM 604 O VAL A 38 5.042 0.399 4.488 1.00 0.00 O ATOM 605 CB VAL A 38 3.038 0.152 1.904 1.00 0.00 C ATOM 606 CG1 VAL A 38 2.189 -1.084 2.218 1.00 0.00 C ATOM 607 CG2 VAL A 38 2.372 0.945 0.775 1.00 0.00 C ATOM 0 H VAL A 38 4.986 2.036 2.720 1.00 0.00 H new ATOM 0 HA VAL A 38 2.169 1.328 3.527 1.00 0.00 H new ATOM 0 HB VAL A 38 4.036 -0.158 1.594 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.111 -1.707 1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.659 -1.654 3.020 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.193 -0.771 2.531 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.294 0.318 -0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.376 1.257 1.088 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.972 1.825 0.546 1.00 0.00 H new ATOM 617 N ARG A 39 3.114 -0.534 5.011 1.00 0.00 N ATOM 618 CA ARG A 39 3.732 -1.335 6.112 1.00 0.00 C ATOM 619 C ARG A 39 3.477 -2.827 5.886 1.00 0.00 C ATOM 620 O ARG A 39 2.488 -3.212 5.290 1.00 0.00 O ATOM 621 CB ARG A 39 3.035 -0.857 7.387 1.00 0.00 C ATOM 622 CG ARG A 39 3.650 -1.558 8.600 1.00 0.00 C ATOM 623 CD ARG A 39 2.741 -1.367 9.817 1.00 0.00 C ATOM 624 NE ARG A 39 3.187 -0.080 10.437 1.00 0.00 N ATOM 625 CZ ARG A 39 2.398 0.605 11.240 1.00 0.00 C ATOM 626 NH1 ARG A 39 1.203 0.169 11.568 1.00 0.00 N ATOM 627 NH2 ARG A 39 2.814 1.744 11.723 1.00 0.00 N ATOM 0 H ARG A 39 2.112 -0.675 4.885 1.00 0.00 H new ATOM 0 HA ARG A 39 4.813 -1.203 6.165 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.139 0.223 7.487 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.968 -1.071 7.333 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.779 -2.620 8.393 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.640 -1.151 8.805 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.692 -1.321 9.523 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.839 -2.197 10.517 1.00 0.00 H new ATOM 0 HE ARG A 39 4.122 0.275 10.234 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.865 -0.720 11.199 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.613 0.719 12.192 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.740 2.094 11.478 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.213 2.284 12.346 1.00 0.00 H new ATOM 641 N PHE A 40 4.352 -3.667 6.377 1.00 0.00 N ATOM 642 CA PHE A 40 4.159 -5.140 6.215 1.00 0.00 C ATOM 643 C PHE A 40 4.478 -5.864 7.524 1.00 0.00 C ATOM 644 O PHE A 40 5.136 -5.325 8.395 1.00 0.00 O ATOM 645 CB PHE A 40 5.145 -5.551 5.121 1.00 0.00 C ATOM 646 CG PHE A 40 4.781 -4.863 3.827 1.00 0.00 C ATOM 647 CD1 PHE A 40 3.496 -5.013 3.292 1.00 0.00 C ATOM 648 CD2 PHE A 40 5.728 -4.074 3.163 1.00 0.00 C ATOM 649 CE1 PHE A 40 3.159 -4.376 2.092 1.00 0.00 C ATOM 650 CE2 PHE A 40 5.391 -3.437 1.963 1.00 0.00 C ATOM 651 CZ PHE A 40 4.107 -3.588 1.427 1.00 0.00 C ATOM 0 H PHE A 40 5.194 -3.396 6.885 1.00 0.00 H new ATOM 0 HA PHE A 40 3.132 -5.395 5.955 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.160 -5.284 5.414 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.126 -6.633 4.988 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.765 -5.620 3.805 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.719 -3.957 3.577 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.168 -4.492 1.679 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.122 -2.829 1.451 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.847 -3.097 0.501 1.00 0.00 H new ATOM 661 N GLU A 41 4.070 -7.102 7.642 1.00 0.00 N ATOM 662 CA GLU A 41 4.404 -7.896 8.862 1.00 0.00 C ATOM 663 C GLU A 41 5.420 -8.990 8.522 1.00 0.00 C ATOM 664 O GLU A 41 6.218 -9.385 9.349 1.00 0.00 O ATOM 665 CB GLU A 41 3.079 -8.514 9.307 1.00 0.00 C ATOM 666 CG GLU A 41 2.186 -7.428 9.912 1.00 0.00 C ATOM 667 CD GLU A 41 0.720 -7.851 9.797 1.00 0.00 C ATOM 668 OE1 GLU A 41 0.451 -9.031 9.948 1.00 0.00 O ATOM 669 OE2 GLU A 41 -0.108 -6.987 9.562 1.00 0.00 O ATOM 0 H GLU A 41 3.518 -7.598 6.943 1.00 0.00 H new ATOM 0 HA GLU A 41 4.851 -7.282 9.644 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.579 -8.979 8.457 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.260 -9.300 10.040 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.448 -7.267 10.958 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.344 -6.482 9.395 1.00 0.00 H new ATOM 676 N LYS A 42 5.404 -9.466 7.302 1.00 0.00 N ATOM 677 CA LYS A 42 6.378 -10.520 6.890 1.00 0.00 C ATOM 678 C LYS A 42 7.712 -9.883 6.491 1.00 0.00 C ATOM 679 O LYS A 42 7.776 -9.086 5.574 1.00 0.00 O ATOM 680 CB LYS A 42 5.732 -11.207 5.687 1.00 0.00 C ATOM 681 CG LYS A 42 6.241 -12.646 5.585 1.00 0.00 C ATOM 682 CD LYS A 42 7.696 -12.641 5.111 1.00 0.00 C ATOM 683 CE LYS A 42 8.128 -14.069 4.770 1.00 0.00 C ATOM 684 NZ LYS A 42 9.614 -14.010 4.681 1.00 0.00 N ATOM 0 H LYS A 42 4.756 -9.168 6.573 1.00 0.00 H new ATOM 0 HA LYS A 42 6.591 -11.222 7.696 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.647 -11.201 5.791 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.968 -10.661 4.773 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.165 -13.139 6.554 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.623 -13.213 4.889 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.802 -11.999 4.236 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.341 -12.231 5.888 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.806 -14.773 5.537 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.689 -14.400 3.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.899 -13.923 3.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.961 -13.187 5.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.021 -14.879 5.083 1.00 0.00 H new ATOM 698 N VAL A 43 8.786 -10.298 7.115 1.00 0.00 N ATOM 699 CA VAL A 43 10.135 -9.796 6.705 1.00 0.00 C ATOM 700 C VAL A 43 10.459 -10.255 5.280 1.00 0.00 C ATOM 701 O VAL A 43 9.601 -10.740 4.566 1.00 0.00 O ATOM 702 CB VAL A 43 11.121 -10.405 7.711 1.00 0.00 C ATOM 703 CG1 VAL A 43 10.790 -9.900 9.116 1.00 0.00 C ATOM 704 CG2 VAL A 43 11.021 -11.935 7.687 1.00 0.00 C ATOM 0 H VAL A 43 8.788 -10.962 7.890 1.00 0.00 H new ATOM 0 HA VAL A 43 10.185 -8.707 6.706 1.00 0.00 H new ATOM 0 HB VAL A 43 12.134 -10.108 7.440 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.489 -10.332 9.832 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.870 -8.813 9.140 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.774 -10.195 9.379 1.00 0.00 H new ATOM 0 HG21 VAL A 43 11.725 -12.357 8.404 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.008 -12.238 7.952 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.259 -12.300 6.688 1.00 0.00 H new ATOM 714 N ASN A 44 11.703 -10.156 4.884 1.00 0.00 N ATOM 715 CA ASN A 44 12.104 -10.642 3.529 1.00 0.00 C ATOM 716 C ASN A 44 13.593 -11.006 3.513 1.00 0.00 C ATOM 717 O ASN A 44 14.200 -11.209 4.548 1.00 0.00 O ATOM 718 CB ASN A 44 11.819 -9.470 2.580 1.00 0.00 C ATOM 719 CG ASN A 44 12.623 -8.234 3.002 1.00 0.00 C ATOM 720 OD1 ASN A 44 13.178 -8.190 4.083 1.00 0.00 O ATOM 721 ND2 ASN A 44 12.710 -7.221 2.185 1.00 0.00 N ATOM 0 H ASN A 44 12.459 -9.759 5.442 1.00 0.00 H new ATOM 0 HA ASN A 44 11.559 -11.539 3.236 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.078 -9.749 1.559 1.00 0.00 H new ATOM 0 HB3 ASN A 44 10.754 -9.239 2.587 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.243 -6.394 2.453 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.245 -7.256 1.278 1.00 0.00 H new ATOM 728 N TYR A 45 14.160 -11.158 2.343 1.00 0.00 N ATOM 729 CA TYR A 45 15.589 -11.592 2.248 1.00 0.00 C ATOM 730 C TYR A 45 16.501 -10.566 2.928 1.00 0.00 C ATOM 731 O TYR A 45 17.539 -10.907 3.464 1.00 0.00 O ATOM 732 CB TYR A 45 15.891 -11.665 0.751 1.00 0.00 C ATOM 733 CG TYR A 45 15.008 -12.708 0.109 1.00 0.00 C ATOM 734 CD1 TYR A 45 15.083 -14.043 0.526 1.00 0.00 C ATOM 735 CD2 TYR A 45 14.112 -12.341 -0.903 1.00 0.00 C ATOM 736 CE1 TYR A 45 14.264 -15.010 -0.069 1.00 0.00 C ATOM 737 CE2 TYR A 45 13.292 -13.308 -1.498 1.00 0.00 C ATOM 738 CZ TYR A 45 13.369 -14.643 -1.081 1.00 0.00 C ATOM 739 OH TYR A 45 12.561 -15.596 -1.667 1.00 0.00 O ATOM 0 H TYR A 45 13.696 -11.000 1.449 1.00 0.00 H new ATOM 0 HA TYR A 45 15.759 -12.548 2.743 1.00 0.00 H new ATOM 0 HB2 TYR A 45 15.721 -10.693 0.287 1.00 0.00 H new ATOM 0 HB3 TYR A 45 16.940 -11.914 0.593 1.00 0.00 H new ATOM 0 HD1 TYR A 45 15.773 -14.327 1.307 1.00 0.00 H new ATOM 0 HD2 TYR A 45 14.053 -11.312 -1.225 1.00 0.00 H new ATOM 0 HE1 TYR A 45 14.323 -16.039 0.253 1.00 0.00 H new ATOM 0 HE2 TYR A 45 12.601 -13.025 -2.278 1.00 0.00 H new ATOM 0 HH TYR A 45 11.999 -15.173 -2.350 1.00 0.00 H new ATOM 749 N SER A 46 16.128 -9.312 2.891 1.00 0.00 N ATOM 750 CA SER A 46 16.978 -8.253 3.513 1.00 0.00 C ATOM 751 C SER A 46 16.641 -8.105 4.999 1.00 0.00 C ATOM 752 O SER A 46 17.469 -7.703 5.794 1.00 0.00 O ATOM 753 CB SER A 46 16.632 -6.973 2.754 1.00 0.00 C ATOM 754 OG SER A 46 17.486 -6.851 1.624 1.00 0.00 O ATOM 0 H SER A 46 15.269 -8.976 2.456 1.00 0.00 H new ATOM 0 HA SER A 46 18.040 -8.489 3.453 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.590 -6.996 2.436 1.00 0.00 H new ATOM 0 HB3 SER A 46 16.747 -6.107 3.406 1.00 0.00 H new ATOM 0 HG SER A 46 17.265 -6.031 1.134 1.00 0.00 H new ATOM 760 N GLY A 47 15.420 -8.399 5.370 1.00 0.00 N ATOM 761 CA GLY A 47 15.008 -8.247 6.797 1.00 0.00 C ATOM 762 C GLY A 47 14.370 -6.872 7.001 1.00 0.00 C ATOM 763 O GLY A 47 14.644 -6.189 7.970 1.00 0.00 O ATOM 0 H GLY A 47 14.690 -8.738 4.744 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.301 -9.031 7.068 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.873 -8.358 7.450 1.00 0.00 H new ATOM 767 N ILE A 55 13.530 -6.459 6.086 1.00 0.00 N ATOM 768 CA ILE A 55 12.878 -5.119 6.210 1.00 0.00 C ATOM 769 C ILE A 55 11.455 -5.278 6.757 1.00 0.00 C ATOM 770 O ILE A 55 10.908 -6.364 6.776 1.00 0.00 O ATOM 771 CB ILE A 55 12.851 -4.554 4.785 1.00 0.00 C ATOM 772 CG1 ILE A 55 14.281 -4.442 4.248 1.00 0.00 C ATOM 773 CG2 ILE A 55 12.208 -3.164 4.794 1.00 0.00 C ATOM 774 CD1 ILE A 55 14.241 -4.092 2.760 1.00 0.00 C ATOM 0 H ILE A 55 13.267 -6.992 5.257 1.00 0.00 H new ATOM 0 HA ILE A 55 13.411 -4.459 6.895 1.00 0.00 H new ATOM 0 HB ILE A 55 12.271 -5.222 4.147 1.00 0.00 H new ATOM 0 HG12 ILE A 55 14.828 -3.676 4.798 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.812 -5.382 4.397 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.190 -2.765 3.780 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.189 -3.237 5.173 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.787 -2.499 5.435 1.00 0.00 H new ATOM 0 HD11 ILE A 55 15.259 -4.012 2.378 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.709 -4.873 2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 55 13.727 -3.141 2.624 1.00 0.00 H new ATOM 786 N ASN A 56 10.847 -4.195 7.170 1.00 0.00 N ATOM 787 CA ASN A 56 9.445 -4.265 7.683 1.00 0.00 C ATOM 788 C ASN A 56 8.533 -3.338 6.872 1.00 0.00 C ATOM 789 O ASN A 56 7.400 -3.670 6.580 1.00 0.00 O ATOM 790 CB ASN A 56 9.525 -3.809 9.145 1.00 0.00 C ATOM 791 CG ASN A 56 10.106 -2.393 9.221 1.00 0.00 C ATOM 792 OD1 ASN A 56 11.288 -2.195 9.013 1.00 0.00 O ATOM 793 ND2 ASN A 56 9.321 -1.393 9.516 1.00 0.00 N ATOM 0 H ASN A 56 11.262 -3.263 7.174 1.00 0.00 H new ATOM 0 HA ASN A 56 9.027 -5.268 7.597 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.533 -3.828 9.595 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.148 -4.498 9.716 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.699 -0.447 9.572 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.330 -1.557 9.691 1.00 0.00 H new ATOM 800 N THR A 57 9.018 -2.174 6.518 1.00 0.00 N ATOM 801 CA THR A 57 8.182 -1.213 5.738 1.00 0.00 C ATOM 802 C THR A 57 8.951 -0.716 4.511 1.00 0.00 C ATOM 803 O THR A 57 10.168 -0.742 4.480 1.00 0.00 O ATOM 804 CB THR A 57 7.903 -0.058 6.701 1.00 0.00 C ATOM 805 OG1 THR A 57 9.130 0.401 7.254 1.00 0.00 O ATOM 806 CG2 THR A 57 6.983 -0.535 7.824 1.00 0.00 C ATOM 0 H THR A 57 9.959 -1.848 6.737 1.00 0.00 H new ATOM 0 HA THR A 57 7.262 -1.669 5.372 1.00 0.00 H new ATOM 0 HB THR A 57 7.419 0.756 6.161 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.954 1.142 7.870 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.786 0.290 8.508 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.043 -0.886 7.399 1.00 0.00 H new ATOM 0 HG23 THR A 57 7.463 -1.350 8.366 1.00 0.00 H new ATOM 814 N ASN A 58 8.253 -0.191 3.536 1.00 0.00 N ATOM 815 CA ASN A 58 8.939 0.394 2.346 1.00 0.00 C ATOM 816 C ASN A 58 8.116 1.554 1.779 1.00 0.00 C ATOM 817 O ASN A 58 7.250 2.093 2.443 1.00 0.00 O ATOM 818 CB ASN A 58 9.024 -0.751 1.334 1.00 0.00 C ATOM 819 CG ASN A 58 10.382 -0.715 0.629 1.00 0.00 C ATOM 820 OD1 ASN A 58 11.010 0.321 0.546 1.00 0.00 O ATOM 821 ND2 ASN A 58 10.865 -1.813 0.115 1.00 0.00 N ATOM 0 H ASN A 58 7.234 -0.143 3.514 1.00 0.00 H new ATOM 0 HA ASN A 58 9.923 0.794 2.591 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.891 -1.707 1.840 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.221 -0.663 0.602 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.770 -1.801 -0.356 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.338 -2.684 0.184 1.00 0.00 H new ATOM 828 N ASN A 59 8.337 1.898 0.536 1.00 0.00 N ATOM 829 CA ASN A 59 7.524 2.972 -0.107 1.00 0.00 C ATOM 830 C ASN A 59 6.996 2.496 -1.462 1.00 0.00 C ATOM 831 O ASN A 59 7.641 1.729 -2.153 1.00 0.00 O ATOM 832 CB ASN A 59 8.489 4.145 -0.289 1.00 0.00 C ATOM 833 CG ASN A 59 8.983 4.618 1.080 1.00 0.00 C ATOM 834 OD1 ASN A 59 9.599 3.867 1.809 1.00 0.00 O ATOM 835 ND2 ASN A 59 8.736 5.841 1.462 1.00 0.00 N ATOM 0 H ASN A 59 9.049 1.479 -0.063 1.00 0.00 H new ATOM 0 HA ASN A 59 6.656 3.248 0.492 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.334 3.842 -0.907 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.990 4.962 -0.810 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.060 6.166 2.373 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.219 6.472 0.850 1.00 0.00 H new ATOM 842 N PHE A 60 5.810 2.913 -1.827 1.00 0.00 N ATOM 843 CA PHE A 60 5.211 2.450 -3.115 1.00 0.00 C ATOM 844 C PHE A 60 4.467 3.603 -3.798 1.00 0.00 C ATOM 845 O PHE A 60 3.980 4.509 -3.148 1.00 0.00 O ATOM 846 CB PHE A 60 4.233 1.340 -2.724 1.00 0.00 C ATOM 847 CG PHE A 60 4.988 0.206 -2.072 1.00 0.00 C ATOM 848 CD1 PHE A 60 5.530 -0.818 -2.858 1.00 0.00 C ATOM 849 CD2 PHE A 60 5.145 0.179 -0.681 1.00 0.00 C ATOM 850 CE1 PHE A 60 6.231 -1.869 -2.252 1.00 0.00 C ATOM 851 CE2 PHE A 60 5.845 -0.871 -0.076 1.00 0.00 C ATOM 852 CZ PHE A 60 6.387 -1.895 -0.861 1.00 0.00 C ATOM 0 H PHE A 60 5.230 3.555 -1.287 1.00 0.00 H new ATOM 0 HA PHE A 60 5.967 2.098 -3.817 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.480 1.730 -2.039 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.705 0.979 -3.607 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.408 -0.798 -3.931 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.726 0.969 -0.075 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.651 -2.659 -2.858 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.967 -0.891 0.997 1.00 0.00 H new ATOM 0 HZ PHE A 60 6.926 -2.706 -0.393 1.00 0.00 H new ATOM 862 N ALA A 61 4.339 3.548 -5.099 1.00 0.00 N ATOM 863 CA ALA A 61 3.581 4.608 -5.829 1.00 0.00 C ATOM 864 C ALA A 61 2.075 4.350 -5.723 1.00 0.00 C ATOM 865 O ALA A 61 1.632 3.216 -5.724 1.00 0.00 O ATOM 866 CB ALA A 61 4.043 4.499 -7.282 1.00 0.00 C ATOM 0 H ALA A 61 4.728 2.812 -5.689 1.00 0.00 H new ATOM 0 HA ALA A 61 3.763 5.601 -5.418 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.529 5.248 -7.884 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.119 4.666 -7.335 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.811 3.505 -7.664 1.00 0.00 H new ATOM 872 N GLU A 62 1.291 5.393 -5.614 1.00 0.00 N ATOM 873 CA GLU A 62 -0.190 5.214 -5.487 1.00 0.00 C ATOM 874 C GLU A 62 -0.746 4.472 -6.708 1.00 0.00 C ATOM 875 O GLU A 62 -1.699 3.723 -6.607 1.00 0.00 O ATOM 876 CB GLU A 62 -0.768 6.633 -5.403 1.00 0.00 C ATOM 877 CG GLU A 62 -0.394 7.432 -6.656 1.00 0.00 C ATOM 878 CD GLU A 62 -1.171 8.749 -6.674 1.00 0.00 C ATOM 879 OE1 GLU A 62 -2.383 8.697 -6.801 1.00 0.00 O ATOM 880 OE2 GLU A 62 -0.541 9.788 -6.559 1.00 0.00 O ATOM 0 H GLU A 62 1.611 6.361 -5.607 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.455 4.621 -4.612 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.852 6.586 -5.303 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.387 7.137 -4.515 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.678 7.630 -6.667 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.620 6.852 -7.551 1.00 0.00 H new ATOM 887 N ASP A 63 -0.095 4.602 -7.838 1.00 0.00 N ATOM 888 CA ASP A 63 -0.515 3.822 -9.044 1.00 0.00 C ATOM 889 C ASP A 63 -0.195 2.333 -8.859 1.00 0.00 C ATOM 890 O ASP A 63 -0.800 1.481 -9.483 1.00 0.00 O ATOM 891 CB ASP A 63 0.289 4.412 -10.210 1.00 0.00 C ATOM 892 CG ASP A 63 1.790 4.278 -9.936 1.00 0.00 C ATOM 893 OD1 ASP A 63 2.347 5.186 -9.340 1.00 0.00 O ATOM 894 OD2 ASP A 63 2.357 3.270 -10.325 1.00 0.00 O ATOM 0 H ASP A 63 0.709 5.214 -7.977 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.588 3.891 -9.220 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.033 3.897 -11.136 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.029 5.462 -10.347 1.00 0.00 H new ATOM 899 N GLU A 64 0.758 2.017 -8.016 1.00 0.00 N ATOM 900 CA GLU A 64 1.128 0.586 -7.798 1.00 0.00 C ATOM 901 C GLU A 64 0.409 0.031 -6.565 1.00 0.00 C ATOM 902 O GLU A 64 0.878 -0.895 -5.930 1.00 0.00 O ATOM 903 CB GLU A 64 2.640 0.599 -7.572 1.00 0.00 C ATOM 904 CG GLU A 64 3.360 0.712 -8.920 1.00 0.00 C ATOM 905 CD GLU A 64 4.607 1.587 -8.766 1.00 0.00 C ATOM 906 OE1 GLU A 64 5.210 1.544 -7.707 1.00 0.00 O ATOM 907 OE2 GLU A 64 4.935 2.287 -9.709 1.00 0.00 O ATOM 0 H GLU A 64 1.295 2.690 -7.470 1.00 0.00 H new ATOM 0 HA GLU A 64 0.844 -0.045 -8.641 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.915 1.436 -6.930 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.949 -0.311 -7.058 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.641 -0.279 -9.278 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.691 1.142 -9.666 1.00 0.00 H new ATOM 914 N LEU A 65 -0.740 0.570 -6.241 1.00 0.00 N ATOM 915 CA LEU A 65 -1.512 0.055 -5.071 1.00 0.00 C ATOM 916 C LEU A 65 -3.004 -0.007 -5.406 1.00 0.00 C ATOM 917 O LEU A 65 -3.599 0.976 -5.804 1.00 0.00 O ATOM 918 CB LEU A 65 -1.256 1.066 -3.951 1.00 0.00 C ATOM 919 CG LEU A 65 0.197 0.961 -3.486 1.00 0.00 C ATOM 920 CD1 LEU A 65 0.490 2.067 -2.471 1.00 0.00 C ATOM 921 CD2 LEU A 65 0.424 -0.403 -2.830 1.00 0.00 C ATOM 0 H LEU A 65 -1.177 1.346 -6.738 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.208 -0.953 -4.788 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.463 2.076 -4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.930 0.877 -3.116 1.00 0.00 H new ATOM 0 HG LEU A 65 0.861 1.069 -4.344 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.526 1.992 -2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.327 3.040 -2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.174 1.959 -1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.459 -0.479 -2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.241 -0.510 -1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.215 -1.193 -3.551 1.00 0.00 H new ATOM 933 N VAL A 66 -3.626 -1.133 -5.163 1.00 0.00 N ATOM 934 CA VAL A 66 -5.102 -1.240 -5.371 1.00 0.00 C ATOM 935 C VAL A 66 -5.817 -1.291 -4.017 1.00 0.00 C ATOM 936 O VAL A 66 -5.282 -1.784 -3.042 1.00 0.00 O ATOM 937 CB VAL A 66 -5.305 -2.548 -6.142 1.00 0.00 C ATOM 938 CG1 VAL A 66 -6.797 -2.757 -6.423 1.00 0.00 C ATOM 939 CG2 VAL A 66 -4.549 -2.484 -7.473 1.00 0.00 C ATOM 0 H VAL A 66 -3.174 -1.984 -4.829 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.508 -0.387 -5.915 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.926 -3.376 -5.543 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.937 -3.688 -6.972 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.341 -2.806 -5.480 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.175 -1.925 -7.018 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.695 -3.416 -8.020 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.927 -1.652 -8.067 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.486 -2.339 -7.281 1.00 0.00 H new ATOM 949 N GLU A 67 -7.024 -0.787 -3.955 1.00 0.00 N ATOM 950 CA GLU A 67 -7.784 -0.803 -2.668 1.00 0.00 C ATOM 951 C GLU A 67 -8.434 -2.173 -2.455 1.00 0.00 C ATOM 952 O GLU A 67 -9.130 -2.679 -3.315 1.00 0.00 O ATOM 953 CB GLU A 67 -8.852 0.279 -2.823 1.00 0.00 C ATOM 954 CG GLU A 67 -9.095 0.954 -1.471 1.00 0.00 C ATOM 955 CD GLU A 67 -10.127 2.072 -1.637 1.00 0.00 C ATOM 956 OE1 GLU A 67 -10.063 2.767 -2.638 1.00 0.00 O ATOM 957 OE2 GLU A 67 -10.962 2.214 -0.759 1.00 0.00 O ATOM 0 H GLU A 67 -7.517 -0.364 -4.742 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.141 -0.619 -1.807 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.532 1.018 -3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.778 -0.160 -3.194 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.450 0.222 -0.746 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.161 1.361 -1.083 1.00 0.00 H new ATOM 964 N VAL A 68 -8.227 -2.764 -1.305 1.00 0.00 N ATOM 965 CA VAL A 68 -8.849 -4.093 -1.016 1.00 0.00 C ATOM 966 C VAL A 68 -9.238 -4.186 0.463 1.00 0.00 C ATOM 967 O VAL A 68 -9.281 -5.259 1.035 1.00 0.00 O ATOM 968 CB VAL A 68 -7.772 -5.128 -1.361 1.00 0.00 C ATOM 969 CG1 VAL A 68 -7.438 -5.036 -2.851 1.00 0.00 C ATOM 970 CG2 VAL A 68 -6.503 -4.865 -0.540 1.00 0.00 C ATOM 0 H VAL A 68 -7.653 -2.383 -0.553 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.760 -4.254 -1.592 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.149 -6.124 -1.126 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.672 -5.771 -3.098 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.335 -5.235 -3.438 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.069 -4.036 -3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.745 -5.606 -0.794 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.124 -3.868 -0.765 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.736 -4.934 0.523 1.00 0.00 H new ATOM 980 N GLU A 69 -9.539 -3.070 1.077 1.00 0.00 N ATOM 981 CA GLU A 69 -9.945 -3.084 2.514 1.00 0.00 C ATOM 982 C GLU A 69 -11.445 -3.367 2.637 1.00 0.00 C ATOM 983 O GLU A 69 -11.898 -3.942 3.609 1.00 0.00 O ATOM 984 CB GLU A 69 -9.619 -1.683 3.032 1.00 0.00 C ATOM 985 CG GLU A 69 -9.915 -1.611 4.531 1.00 0.00 C ATOM 986 CD GLU A 69 -10.397 -0.204 4.890 1.00 0.00 C ATOM 987 OE1 GLU A 69 -9.562 0.680 4.988 1.00 0.00 O ATOM 988 OE2 GLU A 69 -11.594 -0.035 5.061 1.00 0.00 O ATOM 0 H GLU A 69 -9.521 -2.147 0.643 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.428 -3.858 3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.571 -1.450 2.846 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.210 -0.940 2.498 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.674 -2.346 4.798 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.019 -1.856 5.101 1.00 0.00 H new ATOM 995 N ALA A 70 -12.212 -2.986 1.647 1.00 0.00 N ATOM 996 CA ALA A 70 -13.682 -3.252 1.686 1.00 0.00 C ATOM 997 C ALA A 70 -13.972 -4.698 1.256 1.00 0.00 C ATOM 998 O ALA A 70 -13.060 -5.435 0.937 1.00 0.00 O ATOM 999 CB ALA A 70 -14.291 -2.263 0.690 1.00 0.00 C ATOM 0 H ALA A 70 -11.883 -2.501 0.812 1.00 0.00 H new ATOM 0 HA ALA A 70 -14.097 -3.130 2.686 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -15.372 -2.396 0.661 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.059 -1.244 1.001 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -13.876 -2.443 -0.302 1.00 0.00 H new ATOM 1005 N PRO A 71 -15.239 -5.069 1.258 1.00 0.00 N ATOM 1006 CA PRO A 71 -15.630 -6.451 0.858 1.00 0.00 C ATOM 1007 C PRO A 71 -15.048 -6.811 -0.516 1.00 0.00 C ATOM 1008 O PRO A 71 -14.334 -6.033 -1.119 1.00 0.00 O ATOM 1009 CB PRO A 71 -17.155 -6.389 0.794 1.00 0.00 C ATOM 1010 CG PRO A 71 -17.532 -5.265 1.701 1.00 0.00 C ATOM 1011 CD PRO A 71 -16.414 -4.260 1.631 1.00 0.00 C ATOM 0 HA PRO A 71 -15.261 -7.209 1.549 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -17.501 -6.208 -0.224 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -17.603 -7.328 1.121 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -18.476 -4.817 1.390 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -17.669 -5.621 2.722 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -16.618 -3.485 0.892 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -16.267 -3.757 2.587 1.00 0.00 H new ATOM 1019 N LYS A 72 -15.383 -7.969 -1.026 1.00 0.00 N ATOM 1020 CA LYS A 72 -14.891 -8.370 -2.378 1.00 0.00 C ATOM 1021 C LYS A 72 -15.747 -7.719 -3.467 1.00 0.00 C ATOM 1022 O LYS A 72 -16.557 -6.852 -3.195 1.00 0.00 O ATOM 1023 CB LYS A 72 -15.037 -9.892 -2.418 1.00 0.00 C ATOM 1024 CG LYS A 72 -13.717 -10.543 -1.998 1.00 0.00 C ATOM 1025 CD LYS A 72 -13.728 -12.021 -2.392 1.00 0.00 C ATOM 1026 CE LYS A 72 -12.358 -12.638 -2.102 1.00 0.00 C ATOM 1027 NZ LYS A 72 -12.449 -14.034 -2.611 1.00 0.00 N ATOM 0 H LYS A 72 -15.978 -8.656 -0.562 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.862 -8.055 -2.553 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.839 -10.209 -1.751 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.311 -10.215 -3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.880 -10.034 -2.477 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.577 -10.444 -0.922 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.502 -12.550 -1.836 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.968 -12.124 -3.450 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.563 -12.086 -2.603 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.135 -12.621 -1.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.546 -14.523 -2.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.210 -14.537 -2.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.655 -14.019 -3.630 1.00 0.00 H new ATOM 1041 N ALA A 73 -15.597 -8.157 -4.691 1.00 0.00 N ATOM 1042 CA ALA A 73 -16.426 -7.595 -5.800 1.00 0.00 C ATOM 1043 C ALA A 73 -17.818 -8.233 -5.795 1.00 0.00 C ATOM 1044 O ALA A 73 -17.974 -9.401 -5.499 1.00 0.00 O ATOM 1045 CB ALA A 73 -15.675 -7.959 -7.082 1.00 0.00 C ATOM 0 H ALA A 73 -14.935 -8.881 -4.971 1.00 0.00 H new ATOM 0 HA ALA A 73 -16.569 -6.519 -5.703 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -16.223 -7.580 -7.945 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -14.680 -7.514 -7.060 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -15.586 -9.043 -7.157 1.00 0.00 H new ATOM 1051 N LYS A 74 -18.833 -7.470 -6.130 1.00 0.00 N ATOM 1052 CA LYS A 74 -20.231 -8.016 -6.158 1.00 0.00 C ATOM 1053 C LYS A 74 -20.577 -8.700 -4.822 1.00 0.00 C ATOM 1054 O LYS A 74 -20.500 -9.908 -4.716 1.00 0.00 O ATOM 1055 CB LYS A 74 -20.245 -9.034 -7.304 1.00 0.00 C ATOM 1056 CG LYS A 74 -21.637 -9.068 -7.939 1.00 0.00 C ATOM 1057 CD LYS A 74 -21.527 -9.557 -9.384 1.00 0.00 C ATOM 1058 CE LYS A 74 -21.335 -11.075 -9.398 1.00 0.00 C ATOM 1059 NZ LYS A 74 -21.778 -11.506 -10.754 1.00 0.00 N ATOM 0 H LYS A 74 -18.753 -6.486 -6.387 1.00 0.00 H new ATOM 0 HA LYS A 74 -20.970 -7.228 -6.305 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -19.499 -8.766 -8.052 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -19.980 -10.023 -6.930 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -22.292 -9.727 -7.370 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -22.084 -8.074 -7.913 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -22.426 -9.289 -9.939 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -20.688 -9.069 -9.881 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -20.294 -11.343 -9.219 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -21.926 -11.555 -8.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -21.676 -12.537 -10.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -22.775 -11.244 -10.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -21.193 -11.038 -11.475 1.00 0.00 H new ATOM 1073 N PRO A 75 -20.952 -7.905 -3.837 1.00 0.00 N ATOM 1074 CA PRO A 75 -21.311 -8.464 -2.502 1.00 0.00 C ATOM 1075 C PRO A 75 -22.371 -9.566 -2.634 1.00 0.00 C ATOM 1076 O PRO A 75 -22.143 -10.703 -2.263 1.00 0.00 O ATOM 1077 CB PRO A 75 -21.881 -7.263 -1.751 1.00 0.00 C ATOM 1078 CG PRO A 75 -21.273 -6.071 -2.414 1.00 0.00 C ATOM 1079 CD PRO A 75 -21.075 -6.437 -3.860 1.00 0.00 C ATOM 0 HA PRO A 75 -20.461 -8.922 -1.997 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -22.969 -7.238 -1.814 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -21.624 -7.300 -0.693 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -21.924 -5.202 -2.320 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -20.323 -5.810 -1.947 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -21.917 -6.116 -4.473 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -20.182 -5.967 -4.273 1.00 0.00 H new ATOM 1087 N LYS A 76 -23.514 -9.239 -3.177 1.00 0.00 N ATOM 1088 CA LYS A 76 -24.585 -10.264 -3.361 1.00 0.00 C ATOM 1089 C LYS A 76 -24.338 -11.062 -4.645 1.00 0.00 C ATOM 1090 O LYS A 76 -23.981 -10.510 -5.668 1.00 0.00 O ATOM 1091 CB LYS A 76 -25.884 -9.466 -3.467 1.00 0.00 C ATOM 1092 CG LYS A 76 -26.436 -9.200 -2.065 1.00 0.00 C ATOM 1093 CD LYS A 76 -27.672 -8.303 -2.162 1.00 0.00 C ATOM 1094 CE LYS A 76 -28.544 -8.496 -0.920 1.00 0.00 C ATOM 1095 NZ LYS A 76 -29.945 -8.438 -1.421 1.00 0.00 N ATOM 0 H LYS A 76 -23.753 -8.302 -3.502 1.00 0.00 H new ATOM 0 HA LYS A 76 -24.614 -10.982 -2.542 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -25.703 -8.523 -3.983 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -26.615 -10.018 -4.058 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -26.695 -10.141 -1.580 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -25.675 -8.722 -1.448 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -27.370 -7.259 -2.249 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -28.241 -8.546 -3.060 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -28.337 -9.451 -0.437 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -28.356 -7.717 -0.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -30.604 -8.563 -0.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -30.115 -7.516 -1.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -30.096 -9.195 -2.118 1.00 0.00 H new ATOM 1109 N LYS A 77 -24.550 -12.352 -4.601 1.00 0.00 N ATOM 1110 CA LYS A 77 -24.357 -13.192 -5.822 1.00 0.00 C ATOM 1111 C LYS A 77 -25.151 -14.497 -5.700 1.00 0.00 C ATOM 1112 O LYS A 77 -25.626 -14.780 -4.612 1.00 0.00 O ATOM 1113 CB LYS A 77 -22.851 -13.476 -5.883 1.00 0.00 C ATOM 1114 CG LYS A 77 -22.397 -14.187 -4.604 1.00 0.00 C ATOM 1115 CD LYS A 77 -20.869 -14.278 -4.585 1.00 0.00 C ATOM 1116 CE LYS A 77 -20.426 -15.569 -5.275 1.00 0.00 C ATOM 1117 NZ LYS A 77 -20.416 -16.598 -4.199 1.00 0.00 N ATOM 1118 OXT LYS A 77 -25.271 -15.190 -6.697 1.00 0.00 O ATOM 0 H LYS A 77 -24.849 -12.862 -3.770 1.00 0.00 H new ATOM 0 HA LYS A 77 -24.709 -12.692 -6.724 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -22.625 -14.094 -6.752 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -22.302 -12.542 -6.004 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -22.750 -13.643 -3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -22.832 -15.185 -4.556 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.436 -13.415 -5.092 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.506 -14.259 -3.557 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -21.112 -15.843 -6.077 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -19.439 -15.458 -5.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -20.121 -17.513 -4.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -19.749 -16.314 -3.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -21.370 -16.687 -3.795 1.00 0.00 H new TER 1132 LYS A 77