USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 849 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 1 GLN N :NH3+ 176:sc= -14.5! (180deg=-12!) USER MOD Set 1.2: B 129 ASN : amide:sc= -6.66! C(o=-21!,f=-32!) USER MOD Set 2.1: B 116 GLN : amide:sc= -1.1 K(o=-0.52,f=-1.4) USER MOD Set 2.2: B 120 SER OG : rot -157:sc= 0.58 USER MOD Set 3.1: A 79 MET CE :methyl 166:sc= -2.5! (180deg=-3.47!) USER MOD Set 3.2: A 83 ASN : amide:sc= -3.51! C(o=-6!,f=-12!) USER MOD Set 4.1: A 50 HIS : no HD1:sc= -10.8! C(o=-12!,f=-13!) USER MOD Set 4.2: A 71 LYS NZ :NH3+ -148:sc= -1.05! (180deg=0) USER MOD Set 5.1: A 66 GLN : amide:sc= 0.00413 X(o=0.0088,f=0) USER MOD Set 5.2: A 67 SER OG : rot 180:sc= 0.00472 USER MOD Set 6.1: A 39 MET CE :methyl -166:sc= -0.606 (180deg=-1.49!) USER MOD Set 6.2: A 44 TYR OH : rot 180:sc= 0 USER MOD Set 7.1: A 26 THR OG1 : rot -111:sc= 0.614 USER MOD Set 7.2: A 28 LYS NZ :NH3+ 164:sc= 0.584 (180deg=-0.443) USER MOD Set 8.1: A 16 HIS : no HE2:sc= -7.22! C(o=-15!,f=-13!) USER MOD Set 8.2: A 21 GLN : amide:sc= -7.49! C(o=-15!,f=-7.5!) USER MOD Single : A 1 GLN : amide:sc=-0.00444 X(o=-0.0044,f=0) USER MOD Single : A 3 ASN : amide:sc= -0.592 X(o=-0.59,f=-0.18) USER MOD Single : A 4 GLN : amide:sc= -4.66! C(o=-4.7!,f=-7.6!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 145:sc= -0.0518 (180deg=-2.74) USER MOD Single : A 31 MET CE :methyl 154:sc= -9.6! (180deg=-12.1!) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 33 TYR OH : rot -172:sc= 2 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 0:sc= -0.449 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -4.07! K(o=-4.1!,f=-0.45) USER MOD Single : A 46 GLN : amide:sc= -7.01! K(o=-7!,f=-1.3) USER MOD Single : A 47 GLN : amide:sc= -6.49! C(o=-6.5!,f=-1.5!) USER MOD Single : A 49 GLN : amide:sc= 0.0614 X(o=0.061,f=-0.097) USER MOD Single : A 51 MET CE :methyl 168:sc= -1.76 (180deg=-2.52) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot 10:sc= -2.19! USER MOD Single : A 69 SER OG : rot 180:sc= 0.0543 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -124:sc= -0.251 USER MOD Single : A 82 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0286) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : B 115 SER OG : rot 180:sc= 0 USER MOD Single : B 118 THR OG1 : rot 180:sc= 0.0274 USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 1.275 1.810 -0.365 1.00 0.00 N ATOM 2 CA GLN A 1 2.000 1.384 -1.555 1.00 0.00 C ATOM 3 C GLN A 1 3.449 1.045 -1.218 1.00 0.00 C ATOM 4 O GLN A 1 4.292 0.929 -2.108 1.00 0.00 O ATOM 5 CB GLN A 1 1.955 2.476 -2.625 1.00 0.00 C ATOM 6 CG GLN A 1 0.555 3.004 -2.896 1.00 0.00 C ATOM 7 CD GLN A 1 -0.030 2.469 -4.188 1.00 0.00 C ATOM 8 OE1 GLN A 1 -0.990 1.699 -4.176 1.00 0.00 O ATOM 9 NE2 GLN A 1 0.547 2.876 -5.313 1.00 0.00 N ATOM 0 H1 GLN A 1 0.312 2.100 -0.630 1.00 0.00 H new ATOM 0 H2 GLN A 1 1.225 1.022 0.312 1.00 0.00 H new ATOM 0 H3 GLN A 1 1.769 2.613 0.074 1.00 0.00 H new ATOM 0 HA GLN A 1 1.516 0.487 -1.942 1.00 0.00 H new ATOM 0 HB2 GLN A 1 2.593 3.304 -2.315 1.00 0.00 H new ATOM 0 HB3 GLN A 1 2.372 2.082 -3.552 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -0.098 2.734 -2.066 1.00 0.00 H new ATOM 0 HG3 GLN A 1 0.583 4.093 -2.938 1.00 0.00 H new ATOM 0 HE21 GLN A 1 1.341 3.515 -5.277 1.00 0.00 H new ATOM 0 HE22 GLN A 1 0.196 2.549 -6.213 1.00 0.00 H new ATOM 18 N ILE A 2 3.730 0.889 0.071 1.00 0.00 N ATOM 19 CA ILE A 2 5.077 0.563 0.524 1.00 0.00 C ATOM 20 C ILE A 2 5.760 -0.407 -0.433 1.00 0.00 C ATOM 21 O ILE A 2 5.098 -1.166 -1.140 1.00 0.00 O ATOM 22 CB ILE A 2 5.062 -0.051 1.937 1.00 0.00 C ATOM 23 CG1 ILE A 2 4.755 1.024 2.981 1.00 0.00 C ATOM 24 CG2 ILE A 2 6.393 -0.723 2.236 1.00 0.00 C ATOM 25 CD1 ILE A 2 5.585 2.278 2.820 1.00 0.00 C ATOM 0 H ILE A 2 3.044 0.983 0.820 1.00 0.00 H new ATOM 0 HA ILE A 2 5.637 1.498 0.549 1.00 0.00 H new ATOM 0 HB ILE A 2 4.278 -0.807 1.981 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.699 1.287 2.920 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.924 0.612 3.976 1.00 0.00 H new ATOM 0 HG21 ILE A 2 6.367 -1.152 3.238 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.573 -1.513 1.507 1.00 0.00 H new ATOM 0 HG23 ILE A 2 7.194 0.014 2.178 1.00 0.00 H new ATOM 0 HD11 ILE A 2 5.314 2.996 3.594 1.00 0.00 H new ATOM 0 HD12 ILE A 2 6.642 2.029 2.911 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.398 2.715 1.839 1.00 0.00 H new ATOM 37 N ASN A 3 7.088 -0.378 -0.449 1.00 0.00 N ATOM 38 CA ASN A 3 7.862 -1.256 -1.319 1.00 0.00 C ATOM 39 C ASN A 3 9.338 -1.241 -0.933 1.00 0.00 C ATOM 40 O ASN A 3 9.737 -0.552 0.005 1.00 0.00 O ATOM 41 CB ASN A 3 7.700 -0.833 -2.780 1.00 0.00 C ATOM 42 CG ASN A 3 7.013 -1.894 -3.617 1.00 0.00 C ATOM 43 OD1 ASN A 3 6.158 -1.587 -4.449 1.00 0.00 O ATOM 44 ND2 ASN A 3 7.383 -3.150 -3.400 1.00 0.00 N ATOM 0 H ASN A 3 7.651 0.244 0.131 1.00 0.00 H new ATOM 0 HA ASN A 3 7.484 -2.271 -1.198 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.124 0.091 -2.826 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.681 -0.619 -3.204 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.955 -3.907 -3.933 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.096 -3.358 -2.701 1.00 0.00 H new ATOM 51 N GLN A 4 10.143 -2.005 -1.665 1.00 0.00 N ATOM 52 CA GLN A 4 11.575 -2.079 -1.400 1.00 0.00 C ATOM 53 C GLN A 4 12.359 -1.242 -2.405 1.00 0.00 C ATOM 54 O GLN A 4 11.877 -0.959 -3.502 1.00 0.00 O ATOM 55 CB GLN A 4 12.049 -3.532 -1.447 1.00 0.00 C ATOM 56 CG GLN A 4 11.045 -4.519 -0.875 1.00 0.00 C ATOM 57 CD GLN A 4 10.771 -4.286 0.598 1.00 0.00 C ATOM 58 OE1 GLN A 4 11.695 -4.220 1.410 1.00 0.00 O ATOM 59 NE2 GLN A 4 9.498 -4.160 0.951 1.00 0.00 N ATOM 0 H GLN A 4 9.828 -2.581 -2.446 1.00 0.00 H new ATOM 0 HA GLN A 4 11.756 -1.678 -0.403 1.00 0.00 H new ATOM 0 HB2 GLN A 4 12.263 -3.802 -2.481 1.00 0.00 H new ATOM 0 HB3 GLN A 4 12.985 -3.618 -0.895 1.00 0.00 H new ATOM 0 HG2 GLN A 4 10.110 -4.444 -1.431 1.00 0.00 H new ATOM 0 HG3 GLN A 4 11.418 -5.533 -1.015 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.764 -4.221 0.245 1.00 0.00 H new ATOM 0 HE22 GLN A 4 9.253 -4.002 1.928 1.00 0.00 H new ATOM 68 N VAL A 5 13.570 -0.850 -2.024 1.00 0.00 N ATOM 69 CA VAL A 5 14.422 -0.046 -2.893 1.00 0.00 C ATOM 70 C VAL A 5 15.882 -0.467 -2.773 1.00 0.00 C ATOM 71 O VAL A 5 16.237 -1.275 -1.915 1.00 0.00 O ATOM 72 CB VAL A 5 14.303 1.454 -2.564 1.00 0.00 C ATOM 73 CG1 VAL A 5 12.851 1.902 -2.631 1.00 0.00 C ATOM 74 CG2 VAL A 5 14.897 1.748 -1.195 1.00 0.00 C ATOM 0 H VAL A 5 13.984 -1.076 -1.119 1.00 0.00 H new ATOM 0 HA VAL A 5 14.081 -0.214 -3.914 1.00 0.00 H new ATOM 0 HB VAL A 5 14.867 2.017 -3.308 1.00 0.00 H new ATOM 0 HG11 VAL A 5 12.787 2.964 -2.396 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.463 1.729 -3.635 1.00 0.00 H new ATOM 0 HG13 VAL A 5 12.262 1.335 -1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 5 14.804 2.812 -0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 5 14.363 1.176 -0.436 1.00 0.00 H new ATOM 0 HG23 VAL A 5 15.950 1.467 -1.187 1.00 0.00 H new ATOM 84 N ARG A 6 16.725 0.087 -3.638 1.00 0.00 N ATOM 85 CA ARG A 6 18.148 -0.232 -3.630 1.00 0.00 C ATOM 86 C ARG A 6 18.985 1.012 -3.917 1.00 0.00 C ATOM 87 O ARG A 6 19.135 1.438 -5.062 1.00 0.00 O ATOM 88 CB ARG A 6 18.455 -1.316 -4.664 1.00 0.00 C ATOM 89 CG ARG A 6 18.927 -2.625 -4.052 1.00 0.00 C ATOM 90 CD ARG A 6 19.513 -3.553 -5.105 1.00 0.00 C ATOM 91 NE ARG A 6 20.655 -4.307 -4.596 1.00 0.00 N ATOM 92 CZ ARG A 6 21.499 -4.977 -5.373 1.00 0.00 C ATOM 93 NH1 ARG A 6 21.330 -4.986 -6.688 1.00 0.00 N ATOM 94 NH2 ARG A 6 22.515 -5.638 -4.835 1.00 0.00 N ATOM 0 H ARG A 6 16.447 0.759 -4.353 1.00 0.00 H new ATOM 0 HA ARG A 6 18.407 -0.602 -2.638 1.00 0.00 H new ATOM 0 HB2 ARG A 6 17.560 -1.504 -5.258 1.00 0.00 H new ATOM 0 HB3 ARG A 6 19.220 -0.948 -5.348 1.00 0.00 H new ATOM 0 HG2 ARG A 6 19.677 -2.421 -3.287 1.00 0.00 H new ATOM 0 HG3 ARG A 6 18.091 -3.118 -3.555 1.00 0.00 H new ATOM 0 HD2 ARG A 6 18.744 -4.246 -5.446 1.00 0.00 H new ATOM 0 HD3 ARG A 6 19.822 -2.969 -5.972 1.00 0.00 H new ATOM 0 HE ARG A 6 20.814 -4.320 -3.588 1.00 0.00 H new ATOM 0 HH11 ARG A 6 20.550 -4.478 -7.105 1.00 0.00 H new ATOM 0 HH12 ARG A 6 21.980 -5.501 -7.282 1.00 0.00 H new ATOM 0 HH21 ARG A 6 22.649 -5.632 -3.824 1.00 0.00 H new ATOM 0 HH22 ARG A 6 23.162 -6.152 -5.432 1.00 0.00 H new ATOM 108 N PRO A 7 19.543 1.608 -2.853 1.00 0.00 N ATOM 109 CA PRO A 7 20.374 2.810 -2.965 1.00 0.00 C ATOM 110 C PRO A 7 21.715 2.528 -3.632 1.00 0.00 C ATOM 111 O PRO A 7 22.572 1.850 -3.065 1.00 0.00 O ATOM 112 CB PRO A 7 20.580 3.235 -1.509 1.00 0.00 C ATOM 113 CG PRO A 7 20.423 1.980 -0.722 1.00 0.00 C ATOM 114 CD PRO A 7 19.405 1.154 -1.459 1.00 0.00 C ATOM 0 HA PRO A 7 19.904 3.574 -3.584 1.00 0.00 H new ATOM 0 HB2 PRO A 7 21.566 3.674 -1.361 1.00 0.00 H new ATOM 0 HB3 PRO A 7 19.848 3.985 -1.208 1.00 0.00 H new ATOM 0 HG2 PRO A 7 21.371 1.449 -0.641 1.00 0.00 H new ATOM 0 HG3 PRO A 7 20.090 2.195 0.293 1.00 0.00 H new ATOM 0 HD2 PRO A 7 19.606 0.087 -1.362 1.00 0.00 H new ATOM 0 HD3 PRO A 7 18.398 1.324 -1.079 1.00 0.00 H new ATOM 122 N LYS A 8 21.891 3.052 -4.841 1.00 0.00 N ATOM 123 CA LYS A 8 23.129 2.858 -5.586 1.00 0.00 C ATOM 124 C LYS A 8 24.288 3.587 -4.915 1.00 0.00 C ATOM 125 O LYS A 8 24.085 4.398 -4.010 1.00 0.00 O ATOM 126 CB LYS A 8 22.965 3.354 -7.025 1.00 0.00 C ATOM 127 CG LYS A 8 22.138 2.426 -7.898 1.00 0.00 C ATOM 128 CD LYS A 8 22.982 1.301 -8.472 1.00 0.00 C ATOM 129 CE LYS A 8 22.151 0.050 -8.717 1.00 0.00 C ATOM 130 NZ LYS A 8 21.832 -0.131 -10.160 1.00 0.00 N ATOM 0 H LYS A 8 21.191 3.614 -5.325 1.00 0.00 H new ATOM 0 HA LYS A 8 23.353 1.791 -5.599 1.00 0.00 H new ATOM 0 HB2 LYS A 8 22.497 4.338 -7.010 1.00 0.00 H new ATOM 0 HB3 LYS A 8 23.951 3.477 -7.473 1.00 0.00 H new ATOM 0 HG2 LYS A 8 21.321 2.006 -7.312 1.00 0.00 H new ATOM 0 HG3 LYS A 8 21.688 2.995 -8.711 1.00 0.00 H new ATOM 0 HD2 LYS A 8 23.436 1.626 -9.408 1.00 0.00 H new ATOM 0 HD3 LYS A 8 23.797 1.069 -7.786 1.00 0.00 H new ATOM 0 HE2 LYS A 8 22.693 -0.823 -8.353 1.00 0.00 H new ATOM 0 HE3 LYS A 8 21.225 0.112 -8.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.265 -0.994 -10.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 21.293 0.690 -10.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 22.715 -0.216 -10.703 1.00 0.00 H new ATOM 144 N LEU A 9 25.504 3.295 -5.364 1.00 0.00 N ATOM 145 CA LEU A 9 26.697 3.924 -4.807 1.00 0.00 C ATOM 146 C LEU A 9 26.416 5.371 -4.414 1.00 0.00 C ATOM 147 O LEU A 9 26.536 5.758 -3.251 1.00 0.00 O ATOM 148 CB LEU A 9 27.844 3.872 -5.818 1.00 0.00 C ATOM 149 CG LEU A 9 27.522 3.224 -7.165 1.00 0.00 C ATOM 150 CD1 LEU A 9 28.524 3.664 -8.222 1.00 0.00 C ATOM 151 CD2 LEU A 9 27.510 1.708 -7.038 1.00 0.00 C ATOM 0 H LEU A 9 25.690 2.627 -6.112 1.00 0.00 H new ATOM 0 HA LEU A 9 26.984 3.373 -3.912 1.00 0.00 H new ATOM 0 HB2 LEU A 9 28.188 4.890 -6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 9 28.676 3.331 -5.367 1.00 0.00 H new ATOM 0 HG LEU A 9 26.530 3.551 -7.476 1.00 0.00 H new ATOM 0 HD11 LEU A 9 28.279 3.193 -9.174 1.00 0.00 H new ATOM 0 HD12 LEU A 9 28.484 4.748 -8.332 1.00 0.00 H new ATOM 0 HD13 LEU A 9 29.528 3.367 -7.918 1.00 0.00 H new ATOM 0 HD21 LEU A 9 27.279 1.264 -8.006 1.00 0.00 H new ATOM 0 HD22 LEU A 9 28.489 1.363 -6.705 1.00 0.00 H new ATOM 0 HD23 LEU A 9 26.754 1.410 -6.312 1.00 0.00 H new ATOM 163 N PRO A 10 26.031 6.190 -5.404 1.00 0.00 N ATOM 164 CA PRO A 10 25.722 7.606 -5.185 1.00 0.00 C ATOM 165 C PRO A 10 24.435 7.802 -4.390 1.00 0.00 C ATOM 166 O PRO A 10 24.237 8.840 -3.757 1.00 0.00 O ATOM 167 CB PRO A 10 25.562 8.158 -6.604 1.00 0.00 C ATOM 168 CG PRO A 10 25.171 6.979 -7.427 1.00 0.00 C ATOM 169 CD PRO A 10 25.866 5.796 -6.813 1.00 0.00 C ATOM 0 HA PRO A 10 26.496 8.106 -4.603 1.00 0.00 H new ATOM 0 HB2 PRO A 10 24.801 8.937 -6.642 1.00 0.00 H new ATOM 0 HB3 PRO A 10 26.491 8.601 -6.963 1.00 0.00 H new ATOM 0 HG2 PRO A 10 24.090 6.842 -7.423 1.00 0.00 H new ATOM 0 HG3 PRO A 10 25.471 7.112 -8.466 1.00 0.00 H new ATOM 0 HD2 PRO A 10 25.272 4.887 -6.909 1.00 0.00 H new ATOM 0 HD3 PRO A 10 26.826 5.602 -7.291 1.00 0.00 H new ATOM 177 N LEU A 11 23.565 6.800 -4.425 1.00 0.00 N ATOM 178 CA LEU A 11 22.296 6.862 -3.706 1.00 0.00 C ATOM 179 C LEU A 11 22.461 6.382 -2.268 1.00 0.00 C ATOM 180 O LEU A 11 21.576 6.572 -1.433 1.00 0.00 O ATOM 181 CB LEU A 11 21.241 6.016 -4.421 1.00 0.00 C ATOM 182 CG LEU A 11 20.098 6.788 -5.082 1.00 0.00 C ATOM 183 CD1 LEU A 11 18.972 7.030 -4.088 1.00 0.00 C ATOM 184 CD2 LEU A 11 20.603 8.106 -5.651 1.00 0.00 C ATOM 0 H LEU A 11 23.714 5.934 -4.943 1.00 0.00 H new ATOM 0 HA LEU A 11 21.967 7.901 -3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 11 21.739 5.419 -5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 11 20.813 5.319 -3.700 1.00 0.00 H new ATOM 0 HG LEU A 11 19.707 6.187 -5.903 1.00 0.00 H new ATOM 0 HD11 LEU A 11 18.168 7.580 -4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 11 18.591 6.074 -3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 11 19.349 7.610 -3.245 1.00 0.00 H new ATOM 0 HD21 LEU A 11 19.776 8.642 -6.117 1.00 0.00 H new ATOM 0 HD22 LEU A 11 21.021 8.713 -4.848 1.00 0.00 H new ATOM 0 HD23 LEU A 11 21.374 7.909 -6.396 1.00 0.00 H new ATOM 196 N LEU A 12 23.600 5.759 -1.985 1.00 0.00 N ATOM 197 CA LEU A 12 23.883 5.253 -0.646 1.00 0.00 C ATOM 198 C LEU A 12 24.284 6.388 0.292 1.00 0.00 C ATOM 199 O LEU A 12 23.691 6.567 1.356 1.00 0.00 O ATOM 200 CB LEU A 12 24.995 4.204 -0.700 1.00 0.00 C ATOM 201 CG LEU A 12 25.197 3.374 0.568 1.00 0.00 C ATOM 202 CD1 LEU A 12 23.869 3.147 1.274 1.00 0.00 C ATOM 203 CD2 LEU A 12 25.860 2.045 0.235 1.00 0.00 C ATOM 0 H LEU A 12 24.342 5.592 -2.664 1.00 0.00 H new ATOM 0 HA LEU A 12 22.974 4.791 -0.260 1.00 0.00 H new ATOM 0 HB2 LEU A 12 24.786 3.524 -1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 12 25.932 4.709 -0.933 1.00 0.00 H new ATOM 0 HG LEU A 12 25.853 3.926 1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 12 24.032 2.554 2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 12 23.433 4.108 1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 12 23.189 2.616 0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.996 1.467 1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 12 25.229 1.487 -0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 12 26.830 2.228 -0.226 1.00 0.00 H new ATOM 215 N LYS A 13 25.293 7.153 -0.111 1.00 0.00 N ATOM 216 CA LYS A 13 25.772 8.273 0.690 1.00 0.00 C ATOM 217 C LYS A 13 24.620 9.189 1.087 1.00 0.00 C ATOM 218 O LYS A 13 24.644 9.806 2.153 1.00 0.00 O ATOM 219 CB LYS A 13 26.826 9.067 -0.085 1.00 0.00 C ATOM 220 CG LYS A 13 26.236 10.033 -1.098 1.00 0.00 C ATOM 221 CD LYS A 13 26.188 11.451 -0.554 1.00 0.00 C ATOM 222 CE LYS A 13 27.155 12.364 -1.293 1.00 0.00 C ATOM 223 NZ LYS A 13 27.637 13.477 -0.429 1.00 0.00 N ATOM 0 H LYS A 13 25.795 7.017 -0.988 1.00 0.00 H new ATOM 0 HA LYS A 13 26.223 7.872 1.598 1.00 0.00 H new ATOM 0 HB2 LYS A 13 27.441 9.625 0.621 1.00 0.00 H new ATOM 0 HB3 LYS A 13 27.486 8.370 -0.601 1.00 0.00 H new ATOM 0 HG2 LYS A 13 26.831 10.013 -2.011 1.00 0.00 H new ATOM 0 HG3 LYS A 13 25.230 9.711 -1.366 1.00 0.00 H new ATOM 0 HD2 LYS A 13 25.175 11.843 -0.645 1.00 0.00 H new ATOM 0 HD3 LYS A 13 26.433 11.443 0.508 1.00 0.00 H new ATOM 0 HE2 LYS A 13 28.007 11.782 -1.645 1.00 0.00 H new ATOM 0 HE3 LYS A 13 26.664 12.775 -2.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 28.293 14.076 -0.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 26.827 14.048 -0.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 28.128 13.085 0.400 1.00 0.00 H new ATOM 237 N ILE A 14 23.612 9.274 0.225 1.00 0.00 N ATOM 238 CA ILE A 14 22.450 10.113 0.488 1.00 0.00 C ATOM 239 C ILE A 14 21.737 9.680 1.765 1.00 0.00 C ATOM 240 O ILE A 14 21.521 10.485 2.672 1.00 0.00 O ATOM 241 CB ILE A 14 21.451 10.075 -0.683 1.00 0.00 C ATOM 242 CG1 ILE A 14 22.174 10.328 -2.007 1.00 0.00 C ATOM 243 CG2 ILE A 14 20.347 11.101 -0.472 1.00 0.00 C ATOM 244 CD1 ILE A 14 21.261 10.812 -3.112 1.00 0.00 C ATOM 0 H ILE A 14 23.577 8.772 -0.662 1.00 0.00 H new ATOM 0 HA ILE A 14 22.817 11.132 0.608 1.00 0.00 H new ATOM 0 HB ILE A 14 20.997 9.085 -0.722 1.00 0.00 H new ATOM 0 HG12 ILE A 14 22.960 11.066 -1.847 1.00 0.00 H new ATOM 0 HG13 ILE A 14 22.662 9.407 -2.327 1.00 0.00 H new ATOM 0 HG21 ILE A 14 19.649 11.062 -1.308 1.00 0.00 H new ATOM 0 HG22 ILE A 14 19.817 10.879 0.454 1.00 0.00 H new ATOM 0 HG23 ILE A 14 20.784 12.098 -0.410 1.00 0.00 H new ATOM 0 HD11 ILE A 14 21.842 10.970 -4.021 1.00 0.00 H new ATOM 0 HD12 ILE A 14 20.490 10.065 -3.300 1.00 0.00 H new ATOM 0 HD13 ILE A 14 20.793 11.750 -2.813 1.00 0.00 H new ATOM 256 N LEU A 15 21.375 8.404 1.830 1.00 0.00 N ATOM 257 CA LEU A 15 20.687 7.862 2.996 1.00 0.00 C ATOM 258 C LEU A 15 21.623 7.799 4.200 1.00 0.00 C ATOM 259 O LEU A 15 21.228 8.114 5.323 1.00 0.00 O ATOM 260 CB LEU A 15 20.141 6.467 2.688 1.00 0.00 C ATOM 261 CG LEU A 15 19.415 6.310 1.352 1.00 0.00 C ATOM 262 CD1 LEU A 15 18.834 4.911 1.220 1.00 0.00 C ATOM 263 CD2 LEU A 15 18.320 7.359 1.213 1.00 0.00 C ATOM 0 H LEU A 15 21.547 7.725 1.089 1.00 0.00 H new ATOM 0 HA LEU A 15 19.857 8.525 3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 15 20.971 5.760 2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 15 19.456 6.182 3.487 1.00 0.00 H new ATOM 0 HG LEU A 15 20.137 6.458 0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 15 18.321 4.819 0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 15 19.638 4.177 1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 15 18.126 4.733 2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 15 17.814 7.232 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 15 17.600 7.243 2.023 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.762 8.354 1.261 1.00 0.00 H new ATOM 275 N HIS A 16 22.865 7.393 3.956 1.00 0.00 N ATOM 276 CA HIS A 16 23.858 7.293 5.020 1.00 0.00 C ATOM 277 C HIS A 16 23.973 8.609 5.782 1.00 0.00 C ATOM 278 O HIS A 16 23.966 8.628 7.013 1.00 0.00 O ATOM 279 CB HIS A 16 25.219 6.905 4.441 1.00 0.00 C ATOM 280 CG HIS A 16 25.396 5.428 4.264 1.00 0.00 C ATOM 281 ND1 HIS A 16 26.631 4.827 4.140 1.00 0.00 N ATOM 282 CD2 HIS A 16 24.484 4.430 4.192 1.00 0.00 C ATOM 283 CE1 HIS A 16 26.471 3.524 3.997 1.00 0.00 C ATOM 284 NE2 HIS A 16 25.178 3.256 4.026 1.00 0.00 N ATOM 0 H HIS A 16 23.208 7.128 3.032 1.00 0.00 H new ATOM 0 HA HIS A 16 23.533 6.519 5.715 1.00 0.00 H new ATOM 0 HB2 HIS A 16 25.348 7.396 3.476 1.00 0.00 H new ATOM 0 HB3 HIS A 16 26.004 7.281 5.097 1.00 0.00 H new ATOM 0 HD1 HIS A 16 27.528 5.313 4.156 1.00 0.00 H new ATOM 0 HD2 HIS A 16 23.411 4.537 4.254 1.00 0.00 H new ATOM 0 HE1 HIS A 16 27.263 2.800 3.877 1.00 0.00 H new ATOM 292 N ALA A 17 24.080 9.708 5.043 1.00 0.00 N ATOM 293 CA ALA A 17 24.196 11.029 5.649 1.00 0.00 C ATOM 294 C ALA A 17 22.979 11.344 6.512 1.00 0.00 C ATOM 295 O ALA A 17 23.018 12.245 7.350 1.00 0.00 O ATOM 296 CB ALA A 17 24.372 12.090 4.573 1.00 0.00 C ATOM 0 H ALA A 17 24.089 9.710 4.023 1.00 0.00 H new ATOM 0 HA ALA A 17 25.076 11.031 6.292 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.457 13.071 5.040 1.00 0.00 H new ATOM 0 HB2 ALA A 17 25.276 11.881 4.000 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.509 12.079 3.907 1.00 0.00 H new ATOM 302 N ALA A 18 21.900 10.598 6.302 1.00 0.00 N ATOM 303 CA ALA A 18 20.672 10.798 7.062 1.00 0.00 C ATOM 304 C ALA A 18 20.569 9.800 8.210 1.00 0.00 C ATOM 305 O ALA A 18 19.484 9.553 8.735 1.00 0.00 O ATOM 306 CB ALA A 18 19.461 10.682 6.148 1.00 0.00 C ATOM 0 H ALA A 18 21.851 9.849 5.611 1.00 0.00 H new ATOM 0 HA ALA A 18 20.696 11.801 7.488 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.551 10.833 6.729 1.00 0.00 H new ATOM 0 HB2 ALA A 18 19.522 11.438 5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 18 19.441 9.691 5.694 1.00 0.00 H new ATOM 312 N GLY A 19 21.706 9.229 8.596 1.00 0.00 N ATOM 313 CA GLY A 19 21.721 8.264 9.680 1.00 0.00 C ATOM 314 C GLY A 19 21.457 6.850 9.201 1.00 0.00 C ATOM 315 O GLY A 19 21.345 5.926 10.005 1.00 0.00 O ATOM 0 H GLY A 19 22.617 9.417 8.177 1.00 0.00 H new ATOM 0 HA2 GLY A 19 22.688 8.300 10.181 1.00 0.00 H new ATOM 0 HA3 GLY A 19 20.969 8.540 10.419 1.00 0.00 H new ATOM 319 N ALA A 20 21.357 6.682 7.886 1.00 0.00 N ATOM 320 CA ALA A 20 21.105 5.371 7.301 1.00 0.00 C ATOM 321 C ALA A 20 22.363 4.509 7.324 1.00 0.00 C ATOM 322 O ALA A 20 23.400 4.922 7.842 1.00 0.00 O ATOM 323 CB ALA A 20 20.590 5.519 5.877 1.00 0.00 C ATOM 0 H ALA A 20 21.447 7.437 7.206 1.00 0.00 H new ATOM 0 HA ALA A 20 20.344 4.873 7.901 1.00 0.00 H new ATOM 0 HB1 ALA A 20 20.406 4.532 5.452 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.662 6.090 5.883 1.00 0.00 H new ATOM 0 HB3 ALA A 20 21.333 6.041 5.274 1.00 0.00 H new ATOM 329 N GLN A 21 22.263 3.310 6.760 1.00 0.00 N ATOM 330 CA GLN A 21 23.393 2.389 6.717 1.00 0.00 C ATOM 331 C GLN A 21 22.963 1.022 6.196 1.00 0.00 C ATOM 332 O GLN A 21 22.239 0.290 6.870 1.00 0.00 O ATOM 333 CB GLN A 21 24.014 2.246 8.108 1.00 0.00 C ATOM 334 CG GLN A 21 25.509 2.521 8.139 1.00 0.00 C ATOM 335 CD GLN A 21 25.828 4.002 8.193 1.00 0.00 C ATOM 336 OE1 GLN A 21 26.141 4.543 9.254 1.00 0.00 O ATOM 337 NE2 GLN A 21 25.753 4.666 7.046 1.00 0.00 N ATOM 0 H GLN A 21 21.411 2.953 6.326 1.00 0.00 H new ATOM 0 HA GLN A 21 24.137 2.799 6.034 1.00 0.00 H new ATOM 0 HB2 GLN A 21 23.513 2.931 8.792 1.00 0.00 H new ATOM 0 HB3 GLN A 21 23.831 1.237 8.476 1.00 0.00 H new ATOM 0 HG2 GLN A 21 25.948 2.027 9.006 1.00 0.00 H new ATOM 0 HG3 GLN A 21 25.973 2.085 7.254 1.00 0.00 H new ATOM 0 HE21 GLN A 21 25.490 4.178 6.190 1.00 0.00 H new ATOM 0 HE22 GLN A 21 25.959 5.665 7.020 1.00 0.00 H new ATOM 346 N GLY A 22 23.413 0.685 4.991 1.00 0.00 N ATOM 347 CA GLY A 22 23.064 -0.594 4.400 1.00 0.00 C ATOM 348 C GLY A 22 22.948 -0.522 2.891 1.00 0.00 C ATOM 349 O GLY A 22 23.299 0.488 2.283 1.00 0.00 O ATOM 0 H GLY A 22 24.013 1.275 4.414 1.00 0.00 H new ATOM 0 HA2 GLY A 22 23.819 -1.333 4.669 1.00 0.00 H new ATOM 0 HA3 GLY A 22 22.118 -0.938 4.818 1.00 0.00 H new ATOM 353 N GLU A 23 22.455 -1.598 2.285 1.00 0.00 N ATOM 354 CA GLU A 23 22.297 -1.653 0.836 1.00 0.00 C ATOM 355 C GLU A 23 20.839 -1.895 0.457 1.00 0.00 C ATOM 356 O GLU A 23 20.474 -1.839 -0.717 1.00 0.00 O ATOM 357 CB GLU A 23 23.179 -2.755 0.246 1.00 0.00 C ATOM 358 CG GLU A 23 24.631 -2.673 0.685 1.00 0.00 C ATOM 359 CD GLU A 23 25.589 -3.204 -0.364 1.00 0.00 C ATOM 360 OE1 GLU A 23 25.159 -4.027 -1.198 1.00 0.00 O ATOM 361 OE2 GLU A 23 26.769 -2.794 -0.350 1.00 0.00 O ATOM 0 H GLU A 23 22.158 -2.442 2.774 1.00 0.00 H new ATOM 0 HA GLU A 23 22.606 -0.692 0.425 1.00 0.00 H new ATOM 0 HB2 GLU A 23 22.775 -3.725 0.535 1.00 0.00 H new ATOM 0 HB3 GLU A 23 23.134 -2.702 -0.842 1.00 0.00 H new ATOM 0 HG2 GLU A 23 24.881 -1.636 0.908 1.00 0.00 H new ATOM 0 HG3 GLU A 23 24.760 -3.238 1.608 1.00 0.00 H new ATOM 368 N MET A 24 20.010 -2.166 1.460 1.00 0.00 N ATOM 369 CA MET A 24 18.592 -2.417 1.232 1.00 0.00 C ATOM 370 C MET A 24 17.732 -1.548 2.145 1.00 0.00 C ATOM 371 O MET A 24 18.072 -1.326 3.308 1.00 0.00 O ATOM 372 CB MET A 24 18.269 -3.894 1.464 1.00 0.00 C ATOM 373 CG MET A 24 19.351 -4.838 0.963 1.00 0.00 C ATOM 374 SD MET A 24 19.317 -5.045 -0.828 1.00 0.00 S ATOM 375 CE MET A 24 21.054 -5.321 -1.169 1.00 0.00 C ATOM 0 H MET A 24 20.296 -2.217 2.438 1.00 0.00 H new ATOM 0 HA MET A 24 18.366 -2.161 0.197 1.00 0.00 H new ATOM 0 HB2 MET A 24 18.117 -4.061 2.530 1.00 0.00 H new ATOM 0 HB3 MET A 24 17.329 -4.135 0.967 1.00 0.00 H new ATOM 0 HG2 MET A 24 20.327 -4.457 1.262 1.00 0.00 H new ATOM 0 HG3 MET A 24 19.229 -5.811 1.440 1.00 0.00 H new ATOM 0 HE1 MET A 24 21.155 -6.031 -1.990 1.00 0.00 H new ATOM 0 HE2 MET A 24 21.525 -4.377 -1.444 1.00 0.00 H new ATOM 0 HE3 MET A 24 21.540 -5.723 -0.280 1.00 0.00 H new ATOM 385 N PHE A 25 16.618 -1.059 1.612 1.00 0.00 N ATOM 386 CA PHE A 25 15.711 -0.213 2.379 1.00 0.00 C ATOM 387 C PHE A 25 14.335 -0.154 1.722 1.00 0.00 C ATOM 388 O PHE A 25 14.208 -0.297 0.505 1.00 0.00 O ATOM 389 CB PHE A 25 16.286 1.199 2.512 1.00 0.00 C ATOM 390 CG PHE A 25 17.675 1.229 3.082 1.00 0.00 C ATOM 391 CD1 PHE A 25 18.781 1.153 2.250 1.00 0.00 C ATOM 392 CD2 PHE A 25 17.875 1.334 4.449 1.00 0.00 C ATOM 393 CE1 PHE A 25 20.061 1.181 2.771 1.00 0.00 C ATOM 394 CE2 PHE A 25 19.153 1.363 4.975 1.00 0.00 C ATOM 395 CZ PHE A 25 20.247 1.285 4.136 1.00 0.00 C ATOM 0 H PHE A 25 16.321 -1.234 0.652 1.00 0.00 H new ATOM 0 HA PHE A 25 15.601 -0.648 3.372 1.00 0.00 H new ATOM 0 HB2 PHE A 25 16.294 1.673 1.531 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.628 1.792 3.147 1.00 0.00 H new ATOM 0 HD1 PHE A 25 18.641 1.071 1.182 1.00 0.00 H new ATOM 0 HD2 PHE A 25 17.023 1.394 5.111 1.00 0.00 H new ATOM 0 HE1 PHE A 25 20.915 1.122 2.112 1.00 0.00 H new ATOM 0 HE2 PHE A 25 19.296 1.447 6.042 1.00 0.00 H new ATOM 0 HZ PHE A 25 21.246 1.305 4.546 1.00 0.00 H new ATOM 405 N THR A 26 13.305 0.057 2.535 1.00 0.00 N ATOM 406 CA THR A 26 11.939 0.133 2.035 1.00 0.00 C ATOM 407 C THR A 26 11.514 1.580 1.813 1.00 0.00 C ATOM 408 O THR A 26 12.230 2.511 2.181 1.00 0.00 O ATOM 409 CB THR A 26 10.947 -0.539 3.004 1.00 0.00 C ATOM 410 OG1 THR A 26 11.349 -0.301 4.358 1.00 0.00 O ATOM 411 CG2 THR A 26 10.870 -2.036 2.747 1.00 0.00 C ATOM 0 H THR A 26 13.392 0.178 3.544 1.00 0.00 H new ATOM 0 HA THR A 26 11.921 -0.398 1.083 1.00 0.00 H new ATOM 0 HB THR A 26 9.960 -0.107 2.837 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.653 -1.141 4.761 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.164 -2.489 3.443 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.536 -2.213 1.725 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.855 -2.481 2.889 1.00 0.00 H new ATOM 419 N VAL A 27 10.343 1.762 1.211 1.00 0.00 N ATOM 420 CA VAL A 27 9.822 3.097 0.942 1.00 0.00 C ATOM 421 C VAL A 27 9.837 3.957 2.200 1.00 0.00 C ATOM 422 O VAL A 27 10.229 5.124 2.164 1.00 0.00 O ATOM 423 CB VAL A 27 8.384 3.038 0.391 1.00 0.00 C ATOM 424 CG1 VAL A 27 7.851 4.440 0.137 1.00 0.00 C ATOM 425 CG2 VAL A 27 8.335 2.202 -0.879 1.00 0.00 C ATOM 0 H VAL A 27 9.737 1.002 0.900 1.00 0.00 H new ATOM 0 HA VAL A 27 10.473 3.545 0.191 1.00 0.00 H new ATOM 0 HB VAL A 27 7.747 2.563 1.137 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.835 4.378 -0.252 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.849 5.003 1.070 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.487 4.945 -0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.312 2.171 -1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.985 2.647 -1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.673 1.189 -0.661 1.00 0.00 H new ATOM 435 N LYS A 28 9.408 3.373 3.314 1.00 0.00 N ATOM 436 CA LYS A 28 9.374 4.084 4.587 1.00 0.00 C ATOM 437 C LYS A 28 10.783 4.440 5.049 1.00 0.00 C ATOM 438 O LYS A 28 11.022 5.539 5.549 1.00 0.00 O ATOM 439 CB LYS A 28 8.676 3.233 5.651 1.00 0.00 C ATOM 440 CG LYS A 28 9.065 1.766 5.607 1.00 0.00 C ATOM 441 CD LYS A 28 7.885 0.888 5.226 1.00 0.00 C ATOM 442 CE LYS A 28 8.275 -0.582 5.179 1.00 0.00 C ATOM 443 NZ LYS A 28 9.298 -0.917 6.208 1.00 0.00 N ATOM 0 H LYS A 28 9.079 2.409 3.361 1.00 0.00 H new ATOM 0 HA LYS A 28 8.814 5.008 4.444 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.912 3.633 6.637 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.597 3.318 5.522 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.872 1.624 4.889 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.448 1.461 6.581 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.078 1.029 5.946 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.501 1.195 4.253 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.389 -1.198 5.333 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.663 -0.824 4.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.341 -1.949 6.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.228 -0.566 5.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.041 -0.470 7.111 1.00 0.00 H new ATOM 457 N GLU A 29 11.711 3.505 4.879 1.00 0.00 N ATOM 458 CA GLU A 29 13.097 3.722 5.279 1.00 0.00 C ATOM 459 C GLU A 29 13.729 4.844 4.461 1.00 0.00 C ATOM 460 O GLU A 29 14.492 5.656 4.985 1.00 0.00 O ATOM 461 CB GLU A 29 13.907 2.435 5.112 1.00 0.00 C ATOM 462 CG GLU A 29 13.663 1.415 6.211 1.00 0.00 C ATOM 463 CD GLU A 29 14.661 0.274 6.180 1.00 0.00 C ATOM 464 OE1 GLU A 29 14.426 -0.700 5.435 1.00 0.00 O ATOM 465 OE2 GLU A 29 15.677 0.355 6.901 1.00 0.00 O ATOM 0 H GLU A 29 11.529 2.590 4.467 1.00 0.00 H new ATOM 0 HA GLU A 29 13.104 4.013 6.329 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.663 1.985 4.150 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.968 2.684 5.088 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.714 1.911 7.180 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.655 1.013 6.111 1.00 0.00 H new ATOM 472 N VAL A 30 13.407 4.883 3.171 1.00 0.00 N ATOM 473 CA VAL A 30 13.943 5.905 2.280 1.00 0.00 C ATOM 474 C VAL A 30 13.395 7.284 2.633 1.00 0.00 C ATOM 475 O VAL A 30 14.147 8.252 2.740 1.00 0.00 O ATOM 476 CB VAL A 30 13.612 5.595 0.808 1.00 0.00 C ATOM 477 CG1 VAL A 30 14.385 6.520 -0.119 1.00 0.00 C ATOM 478 CG2 VAL A 30 13.911 4.138 0.491 1.00 0.00 C ATOM 0 H VAL A 30 12.778 4.219 2.720 1.00 0.00 H new ATOM 0 HA VAL A 30 15.025 5.903 2.410 1.00 0.00 H new ATOM 0 HB VAL A 30 12.547 5.767 0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 30 14.138 6.286 -1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 30 14.117 7.555 0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 30 15.455 6.383 0.039 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.671 3.936 -0.553 1.00 0.00 H new ATOM 0 HG22 VAL A 30 14.968 3.937 0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.308 3.495 1.132 1.00 0.00 H new ATOM 488 N MET A 31 12.081 7.364 2.813 1.00 0.00 N ATOM 489 CA MET A 31 11.433 8.625 3.156 1.00 0.00 C ATOM 490 C MET A 31 11.991 9.186 4.460 1.00 0.00 C ATOM 491 O MET A 31 12.102 10.401 4.627 1.00 0.00 O ATOM 492 CB MET A 31 9.921 8.429 3.277 1.00 0.00 C ATOM 493 CG MET A 31 9.402 8.562 4.699 1.00 0.00 C ATOM 494 SD MET A 31 9.353 10.274 5.263 1.00 0.00 S ATOM 495 CE MET A 31 8.560 11.068 3.866 1.00 0.00 C ATOM 0 H MET A 31 11.444 6.572 2.727 1.00 0.00 H new ATOM 0 HA MET A 31 11.637 9.339 2.358 1.00 0.00 H new ATOM 0 HB2 MET A 31 9.417 9.160 2.645 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.659 7.443 2.894 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.401 8.135 4.758 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.036 7.981 5.369 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.049 11.970 4.202 1.00 0.00 H new ATOM 0 HE2 MET A 31 9.312 11.333 3.123 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.836 10.385 3.422 1.00 0.00 H new ATOM 505 N HIS A 32 12.340 8.294 5.382 1.00 0.00 N ATOM 506 CA HIS A 32 12.886 8.701 6.671 1.00 0.00 C ATOM 507 C HIS A 32 14.276 9.308 6.505 1.00 0.00 C ATOM 508 O HIS A 32 14.664 10.209 7.249 1.00 0.00 O ATOM 509 CB HIS A 32 12.950 7.505 7.622 1.00 0.00 C ATOM 510 CG HIS A 32 12.894 7.887 9.069 1.00 0.00 C ATOM 511 ND1 HIS A 32 11.915 7.437 9.929 1.00 0.00 N ATOM 512 CD2 HIS A 32 13.705 8.681 9.807 1.00 0.00 C ATOM 513 CE1 HIS A 32 12.125 7.938 11.133 1.00 0.00 C ATOM 514 NE2 HIS A 32 13.205 8.696 11.086 1.00 0.00 N ATOM 0 H HIS A 32 12.254 7.285 5.260 1.00 0.00 H new ATOM 0 HA HIS A 32 12.226 9.458 7.095 1.00 0.00 H new ATOM 0 HB2 HIS A 32 12.123 6.830 7.400 1.00 0.00 H new ATOM 0 HB3 HIS A 32 13.871 6.952 7.436 1.00 0.00 H new ATOM 0 HD2 HIS A 32 14.582 9.205 9.456 1.00 0.00 H new ATOM 0 HE1 HIS A 32 11.517 7.758 12.007 1.00 0.00 H new ATOM 0 HE2 HIS A 32 13.603 9.209 11.872 1.00 0.00 H new ATOM 522 N TYR A 33 15.021 8.809 5.525 1.00 0.00 N ATOM 523 CA TYR A 33 16.369 9.300 5.263 1.00 0.00 C ATOM 524 C TYR A 33 16.328 10.663 4.579 1.00 0.00 C ATOM 525 O TYR A 33 17.130 11.547 4.883 1.00 0.00 O ATOM 526 CB TYR A 33 17.138 8.303 4.395 1.00 0.00 C ATOM 527 CG TYR A 33 17.339 6.956 5.053 1.00 0.00 C ATOM 528 CD1 TYR A 33 17.717 6.863 6.387 1.00 0.00 C ATOM 529 CD2 TYR A 33 17.153 5.778 4.341 1.00 0.00 C ATOM 530 CE1 TYR A 33 17.903 5.635 6.993 1.00 0.00 C ATOM 531 CE2 TYR A 33 17.335 4.546 4.938 1.00 0.00 C ATOM 532 CZ TYR A 33 17.710 4.479 6.264 1.00 0.00 C ATOM 533 OH TYR A 33 17.894 3.254 6.862 1.00 0.00 O ATOM 0 H TYR A 33 14.714 8.065 4.899 1.00 0.00 H new ATOM 0 HA TYR A 33 16.881 9.409 6.219 1.00 0.00 H new ATOM 0 HB2 TYR A 33 16.602 8.163 3.456 1.00 0.00 H new ATOM 0 HB3 TYR A 33 18.112 8.726 4.147 1.00 0.00 H new ATOM 0 HD1 TYR A 33 17.868 7.766 6.960 1.00 0.00 H new ATOM 0 HD2 TYR A 33 16.861 5.826 3.302 1.00 0.00 H new ATOM 0 HE1 TYR A 33 18.198 5.580 8.031 1.00 0.00 H new ATOM 0 HE2 TYR A 33 17.185 3.640 4.370 1.00 0.00 H new ATOM 0 HH TYR A 33 17.844 2.548 6.184 1.00 0.00 H new ATOM 543 N LEU A 34 15.390 10.824 3.653 1.00 0.00 N ATOM 544 CA LEU A 34 15.242 12.079 2.924 1.00 0.00 C ATOM 545 C LEU A 34 15.185 13.263 3.884 1.00 0.00 C ATOM 546 O LEU A 34 16.014 14.170 3.819 1.00 0.00 O ATOM 547 CB LEU A 34 13.980 12.046 2.061 1.00 0.00 C ATOM 548 CG LEU A 34 14.200 11.904 0.554 1.00 0.00 C ATOM 549 CD1 LEU A 34 15.112 13.008 0.042 1.00 0.00 C ATOM 550 CD2 LEU A 34 14.779 10.536 0.226 1.00 0.00 C ATOM 0 H LEU A 34 14.720 10.101 3.389 1.00 0.00 H new ATOM 0 HA LEU A 34 16.112 12.200 2.279 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.356 11.217 2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.417 12.962 2.241 1.00 0.00 H new ATOM 0 HG LEU A 34 13.235 11.997 0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.257 12.891 -1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 34 14.657 13.978 0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 34 16.076 12.947 0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.929 10.453 -0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 34 15.735 10.414 0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.089 9.760 0.557 1.00 0.00 H new ATOM 562 N GLY A 35 14.200 13.247 4.777 1.00 0.00 N ATOM 563 CA GLY A 35 14.053 14.324 5.739 1.00 0.00 C ATOM 564 C GLY A 35 15.323 14.572 6.529 1.00 0.00 C ATOM 565 O GLY A 35 15.759 15.714 6.670 1.00 0.00 O ATOM 0 H GLY A 35 13.501 12.508 4.851 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.769 15.238 5.217 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.242 14.085 6.427 1.00 0.00 H new ATOM 569 N GLN A 36 15.916 13.501 7.046 1.00 0.00 N ATOM 570 CA GLN A 36 17.142 13.610 7.827 1.00 0.00 C ATOM 571 C GLN A 36 18.267 14.215 6.994 1.00 0.00 C ATOM 572 O GLN A 36 19.055 15.021 7.489 1.00 0.00 O ATOM 573 CB GLN A 36 17.562 12.235 8.350 1.00 0.00 C ATOM 574 CG GLN A 36 16.599 11.653 9.372 1.00 0.00 C ATOM 575 CD GLN A 36 17.301 11.170 10.626 1.00 0.00 C ATOM 576 OE1 GLN A 36 17.455 9.967 10.841 1.00 0.00 O ATOM 577 NE2 GLN A 36 17.732 12.107 11.462 1.00 0.00 N ATOM 0 H GLN A 36 15.567 12.548 6.938 1.00 0.00 H new ATOM 0 HA GLN A 36 16.946 14.269 8.673 1.00 0.00 H new ATOM 0 HB2 GLN A 36 17.647 11.546 7.510 1.00 0.00 H new ATOM 0 HB3 GLN A 36 18.552 12.313 8.799 1.00 0.00 H new ATOM 0 HG2 GLN A 36 15.861 12.408 9.641 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.055 10.822 8.922 1.00 0.00 H new ATOM 0 HE21 GLN A 36 17.583 13.092 11.244 1.00 0.00 H new ATOM 0 HE22 GLN A 36 18.212 11.842 12.322 1.00 0.00 H new ATOM 586 N TYR A 37 18.335 13.822 5.727 1.00 0.00 N ATOM 587 CA TYR A 37 19.366 14.324 4.826 1.00 0.00 C ATOM 588 C TYR A 37 19.238 15.832 4.638 1.00 0.00 C ATOM 589 O TYR A 37 20.222 16.566 4.730 1.00 0.00 O ATOM 590 CB TYR A 37 19.274 13.620 3.471 1.00 0.00 C ATOM 591 CG TYR A 37 20.256 14.146 2.448 1.00 0.00 C ATOM 592 CD1 TYR A 37 21.613 13.863 2.549 1.00 0.00 C ATOM 593 CD2 TYR A 37 19.827 14.926 1.381 1.00 0.00 C ATOM 594 CE1 TYR A 37 22.514 14.341 1.618 1.00 0.00 C ATOM 595 CE2 TYR A 37 20.721 15.407 0.444 1.00 0.00 C ATOM 596 CZ TYR A 37 22.063 15.113 0.567 1.00 0.00 C ATOM 597 OH TYR A 37 22.956 15.591 -0.364 1.00 0.00 O ATOM 0 H TYR A 37 17.689 13.158 5.301 1.00 0.00 H new ATOM 0 HA TYR A 37 20.338 14.113 5.273 1.00 0.00 H new ATOM 0 HB2 TYR A 37 19.446 12.553 3.613 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.262 13.730 3.081 1.00 0.00 H new ATOM 0 HD1 TYR A 37 21.969 13.259 3.370 1.00 0.00 H new ATOM 0 HD2 TYR A 37 18.777 15.160 1.283 1.00 0.00 H new ATOM 0 HE1 TYR A 37 23.565 14.112 1.712 1.00 0.00 H new ATOM 0 HE2 TYR A 37 20.371 16.010 -0.381 1.00 0.00 H new ATOM 0 HH TYR A 37 23.861 15.293 -0.133 1.00 0.00 H new ATOM 607 N ILE A 38 18.017 16.287 4.374 1.00 0.00 N ATOM 608 CA ILE A 38 17.759 17.708 4.175 1.00 0.00 C ATOM 609 C ILE A 38 18.122 18.512 5.418 1.00 0.00 C ATOM 610 O ILE A 38 18.781 19.548 5.329 1.00 0.00 O ATOM 611 CB ILE A 38 16.282 17.968 3.823 1.00 0.00 C ATOM 612 CG1 ILE A 38 15.872 17.137 2.604 1.00 0.00 C ATOM 613 CG2 ILE A 38 16.052 19.449 3.563 1.00 0.00 C ATOM 614 CD1 ILE A 38 14.394 17.212 2.292 1.00 0.00 C ATOM 0 H ILE A 38 17.192 15.693 4.293 1.00 0.00 H new ATOM 0 HA ILE A 38 18.385 18.029 3.342 1.00 0.00 H new ATOM 0 HB ILE A 38 15.664 17.668 4.669 1.00 0.00 H new ATOM 0 HG12 ILE A 38 16.436 17.477 1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 38 16.147 16.096 2.775 1.00 0.00 H new ATOM 0 HG21 ILE A 38 15.004 19.616 3.316 1.00 0.00 H new ATOM 0 HG22 ILE A 38 16.310 20.019 4.455 1.00 0.00 H new ATOM 0 HG23 ILE A 38 16.677 19.774 2.731 1.00 0.00 H new ATOM 0 HD11 ILE A 38 14.175 16.600 1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.823 16.844 3.144 1.00 0.00 H new ATOM 0 HD13 ILE A 38 14.117 18.247 2.089 1.00 0.00 H new ATOM 626 N MET A 39 17.690 18.027 6.577 1.00 0.00 N ATOM 627 CA MET A 39 17.973 18.700 7.840 1.00 0.00 C ATOM 628 C MET A 39 19.469 18.691 8.138 1.00 0.00 C ATOM 629 O MET A 39 20.002 19.637 8.718 1.00 0.00 O ATOM 630 CB MET A 39 17.210 18.027 8.983 1.00 0.00 C ATOM 631 CG MET A 39 18.114 17.366 10.010 1.00 0.00 C ATOM 632 SD MET A 39 17.206 16.755 11.443 1.00 0.00 S ATOM 633 CE MET A 39 16.074 18.113 11.731 1.00 0.00 C ATOM 0 H MET A 39 17.143 17.171 6.668 1.00 0.00 H new ATOM 0 HA MET A 39 17.644 19.736 7.753 1.00 0.00 H new ATOM 0 HB2 MET A 39 16.590 18.771 9.482 1.00 0.00 H new ATOM 0 HB3 MET A 39 16.537 17.277 8.568 1.00 0.00 H new ATOM 0 HG2 MET A 39 18.645 16.538 9.541 1.00 0.00 H new ATOM 0 HG3 MET A 39 18.867 18.082 10.340 1.00 0.00 H new ATOM 0 HE1 MET A 39 15.621 18.006 12.716 1.00 0.00 H new ATOM 0 HE2 MET A 39 16.618 19.056 11.682 1.00 0.00 H new ATOM 0 HE3 MET A 39 15.294 18.104 10.970 1.00 0.00 H new ATOM 643 N VAL A 40 20.142 17.617 7.737 1.00 0.00 N ATOM 644 CA VAL A 40 21.577 17.486 7.960 1.00 0.00 C ATOM 645 C VAL A 40 22.359 18.471 7.098 1.00 0.00 C ATOM 646 O VAL A 40 23.352 19.049 7.542 1.00 0.00 O ATOM 647 CB VAL A 40 22.063 16.056 7.656 1.00 0.00 C ATOM 648 CG1 VAL A 40 22.861 16.027 6.361 1.00 0.00 C ATOM 649 CG2 VAL A 40 22.891 15.519 8.814 1.00 0.00 C ATOM 0 H VAL A 40 19.716 16.825 7.256 1.00 0.00 H new ATOM 0 HA VAL A 40 21.756 17.707 9.012 1.00 0.00 H new ATOM 0 HB VAL A 40 21.192 15.413 7.532 1.00 0.00 H new ATOM 0 HG11 VAL A 40 23.196 15.009 6.163 1.00 0.00 H new ATOM 0 HG12 VAL A 40 22.233 16.369 5.539 1.00 0.00 H new ATOM 0 HG13 VAL A 40 23.727 16.682 6.453 1.00 0.00 H new ATOM 0 HG21 VAL A 40 23.227 14.508 8.583 1.00 0.00 H new ATOM 0 HG22 VAL A 40 23.757 16.162 8.971 1.00 0.00 H new ATOM 0 HG23 VAL A 40 22.283 15.502 9.719 1.00 0.00 H new ATOM 659 N LYS A 41 21.905 18.659 5.864 1.00 0.00 N ATOM 660 CA LYS A 41 22.560 19.576 4.939 1.00 0.00 C ATOM 661 C LYS A 41 22.026 20.995 5.109 1.00 0.00 C ATOM 662 O LYS A 41 22.625 21.955 4.625 1.00 0.00 O ATOM 663 CB LYS A 41 22.353 19.112 3.495 1.00 0.00 C ATOM 664 CG LYS A 41 23.345 18.051 3.050 1.00 0.00 C ATOM 665 CD LYS A 41 24.777 18.544 3.165 1.00 0.00 C ATOM 666 CE LYS A 41 24.903 19.998 2.737 1.00 0.00 C ATOM 667 NZ LYS A 41 26.318 20.462 2.758 1.00 0.00 N ATOM 0 H LYS A 41 21.085 18.188 5.481 1.00 0.00 H new ATOM 0 HA LYS A 41 23.626 19.578 5.164 1.00 0.00 H new ATOM 0 HB2 LYS A 41 21.342 18.719 3.390 1.00 0.00 H new ATOM 0 HB3 LYS A 41 22.431 19.973 2.831 1.00 0.00 H new ATOM 0 HG2 LYS A 41 23.218 17.155 3.657 1.00 0.00 H new ATOM 0 HG3 LYS A 41 23.138 17.768 2.018 1.00 0.00 H new ATOM 0 HD2 LYS A 41 25.118 18.436 4.195 1.00 0.00 H new ATOM 0 HD3 LYS A 41 25.427 17.924 2.547 1.00 0.00 H new ATOM 0 HE2 LYS A 41 24.497 20.117 1.733 1.00 0.00 H new ATOM 0 HE3 LYS A 41 24.306 20.625 3.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 26.361 21.457 2.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 26.699 20.372 3.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 26.884 19.881 2.107 1.00 0.00 H new ATOM 681 N GLN A 42 20.897 21.118 5.800 1.00 0.00 N ATOM 682 CA GLN A 42 20.284 22.420 6.034 1.00 0.00 C ATOM 683 C GLN A 42 19.823 23.048 4.722 1.00 0.00 C ATOM 684 O GLN A 42 20.202 24.173 4.394 1.00 0.00 O ATOM 685 CB GLN A 42 21.269 23.352 6.741 1.00 0.00 C ATOM 686 CG GLN A 42 21.125 23.355 8.254 1.00 0.00 C ATOM 687 CD GLN A 42 22.168 22.495 8.941 1.00 0.00 C ATOM 688 OE1 GLN A 42 22.705 22.865 9.985 1.00 0.00 O ATOM 689 NE2 GLN A 42 22.461 21.339 8.356 1.00 0.00 N ATOM 0 H GLN A 42 20.389 20.333 6.207 1.00 0.00 H new ATOM 0 HA GLN A 42 19.412 22.274 6.672 1.00 0.00 H new ATOM 0 HB2 GLN A 42 22.286 23.057 6.482 1.00 0.00 H new ATOM 0 HB3 GLN A 42 21.127 24.367 6.369 1.00 0.00 H new ATOM 0 HG2 GLN A 42 21.204 24.378 8.621 1.00 0.00 H new ATOM 0 HG3 GLN A 42 20.131 22.997 8.521 1.00 0.00 H new ATOM 0 HE21 GLN A 42 21.991 21.072 7.491 1.00 0.00 H new ATOM 0 HE22 GLN A 42 23.156 20.719 8.772 1.00 0.00 H new ATOM 698 N LEU A 43 19.004 22.315 3.977 1.00 0.00 N ATOM 699 CA LEU A 43 18.491 22.800 2.700 1.00 0.00 C ATOM 700 C LEU A 43 16.994 23.079 2.785 1.00 0.00 C ATOM 701 O LEU A 43 16.236 22.740 1.876 1.00 0.00 O ATOM 702 CB LEU A 43 18.769 21.779 1.595 1.00 0.00 C ATOM 703 CG LEU A 43 18.703 22.307 0.162 1.00 0.00 C ATOM 704 CD1 LEU A 43 19.220 23.736 0.095 1.00 0.00 C ATOM 705 CD2 LEU A 43 19.496 21.407 -0.775 1.00 0.00 C ATOM 0 H LEU A 43 18.681 21.383 4.235 1.00 0.00 H new ATOM 0 HA LEU A 43 19.003 23.732 2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 43 19.760 21.356 1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 43 18.053 20.963 1.694 1.00 0.00 H new ATOM 0 HG LEU A 43 17.661 22.304 -0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 43 19.165 24.095 -0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 43 18.610 24.374 0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 43 20.255 23.765 0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 43 19.438 21.798 -1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 43 20.538 21.378 -0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 43 19.081 20.400 -0.750 1.00 0.00 H new ATOM 717 N TYR A 44 16.575 23.701 3.882 1.00 0.00 N ATOM 718 CA TYR A 44 15.168 24.026 4.086 1.00 0.00 C ATOM 719 C TYR A 44 15.018 25.312 4.894 1.00 0.00 C ATOM 720 O TYR A 44 15.981 25.805 5.481 1.00 0.00 O ATOM 721 CB TYR A 44 14.456 22.876 4.800 1.00 0.00 C ATOM 722 CG TYR A 44 14.995 22.596 6.184 1.00 0.00 C ATOM 723 CD1 TYR A 44 16.323 22.235 6.374 1.00 0.00 C ATOM 724 CD2 TYR A 44 14.176 22.691 7.303 1.00 0.00 C ATOM 725 CE1 TYR A 44 16.820 21.977 7.637 1.00 0.00 C ATOM 726 CE2 TYR A 44 14.664 22.436 8.570 1.00 0.00 C ATOM 727 CZ TYR A 44 15.987 22.080 8.732 1.00 0.00 C ATOM 728 OH TYR A 44 16.477 21.824 9.992 1.00 0.00 O ATOM 0 H TYR A 44 17.189 23.990 4.643 1.00 0.00 H new ATOM 0 HA TYR A 44 14.710 24.177 3.108 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.393 23.107 4.873 1.00 0.00 H new ATOM 0 HB3 TYR A 44 14.545 21.974 4.195 1.00 0.00 H new ATOM 0 HD1 TYR A 44 16.978 22.155 5.519 1.00 0.00 H new ATOM 0 HD2 TYR A 44 13.140 22.969 7.180 1.00 0.00 H new ATOM 0 HE1 TYR A 44 17.855 21.696 7.766 1.00 0.00 H new ATOM 0 HE2 TYR A 44 14.014 22.515 9.429 1.00 0.00 H new ATOM 0 HH TYR A 44 15.762 21.942 10.651 1.00 0.00 H new ATOM 738 N ASP A 45 13.803 25.848 4.919 1.00 0.00 N ATOM 739 CA ASP A 45 13.524 27.075 5.656 1.00 0.00 C ATOM 740 C ASP A 45 13.154 26.768 7.103 1.00 0.00 C ATOM 741 O ASP A 45 12.229 25.999 7.367 1.00 0.00 O ATOM 742 CB ASP A 45 12.393 27.854 4.981 1.00 0.00 C ATOM 743 CG ASP A 45 12.895 29.077 4.240 1.00 0.00 C ATOM 744 OD1 ASP A 45 13.894 28.955 3.501 1.00 0.00 O ATOM 745 OD2 ASP A 45 12.289 30.158 4.399 1.00 0.00 O ATOM 0 H ASP A 45 12.996 25.452 4.438 1.00 0.00 H new ATOM 0 HA ASP A 45 14.427 27.685 5.653 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.871 27.199 4.284 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.667 28.161 5.734 1.00 0.00 H new ATOM 750 N GLN A 46 13.882 27.372 8.036 1.00 0.00 N ATOM 751 CA GLN A 46 13.631 27.161 9.457 1.00 0.00 C ATOM 752 C GLN A 46 12.234 27.640 9.840 1.00 0.00 C ATOM 753 O GLN A 46 11.563 27.024 10.667 1.00 0.00 O ATOM 754 CB GLN A 46 14.681 27.891 10.296 1.00 0.00 C ATOM 755 CG GLN A 46 16.088 27.796 9.728 1.00 0.00 C ATOM 756 CD GLN A 46 16.521 26.364 9.481 1.00 0.00 C ATOM 757 OE1 GLN A 46 17.410 25.847 10.158 1.00 0.00 O ATOM 758 NE2 GLN A 46 15.894 25.715 8.507 1.00 0.00 N ATOM 0 H GLN A 46 14.651 28.011 7.834 1.00 0.00 H new ATOM 0 HA GLN A 46 13.696 26.091 9.657 1.00 0.00 H new ATOM 0 HB2 GLN A 46 14.402 28.941 10.379 1.00 0.00 H new ATOM 0 HB3 GLN A 46 14.677 27.480 11.305 1.00 0.00 H new ATOM 0 HG2 GLN A 46 16.137 28.353 8.792 1.00 0.00 H new ATOM 0 HG3 GLN A 46 16.787 28.269 10.417 1.00 0.00 H new ATOM 0 HE21 GLN A 46 15.163 26.182 7.971 1.00 0.00 H new ATOM 0 HE22 GLN A 46 16.143 24.749 8.295 1.00 0.00 H new ATOM 767 N GLN A 47 11.804 28.741 9.232 1.00 0.00 N ATOM 768 CA GLN A 47 10.487 29.302 9.511 1.00 0.00 C ATOM 769 C GLN A 47 9.388 28.292 9.197 1.00 0.00 C ATOM 770 O GLN A 47 8.315 28.323 9.799 1.00 0.00 O ATOM 771 CB GLN A 47 10.271 30.579 8.698 1.00 0.00 C ATOM 772 CG GLN A 47 10.835 30.505 7.288 1.00 0.00 C ATOM 773 CD GLN A 47 12.250 31.043 7.196 1.00 0.00 C ATOM 774 OE1 GLN A 47 12.483 32.240 7.363 1.00 0.00 O ATOM 775 NE2 GLN A 47 13.203 30.158 6.930 1.00 0.00 N ATOM 0 H GLN A 47 12.348 29.262 8.544 1.00 0.00 H new ATOM 0 HA GLN A 47 10.440 29.544 10.573 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.203 30.788 8.643 1.00 0.00 H new ATOM 0 HB3 GLN A 47 10.733 31.416 9.222 1.00 0.00 H new ATOM 0 HG2 GLN A 47 10.822 29.469 6.949 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.191 31.069 6.613 1.00 0.00 H new ATOM 0 HE21 GLN A 47 12.964 29.175 6.799 1.00 0.00 H new ATOM 0 HE22 GLN A 47 14.174 30.461 6.857 1.00 0.00 H new ATOM 784 N GLU A 48 9.663 27.400 8.251 1.00 0.00 N ATOM 785 CA GLU A 48 8.696 26.382 7.858 1.00 0.00 C ATOM 786 C GLU A 48 9.393 25.062 7.541 1.00 0.00 C ATOM 787 O GLU A 48 9.880 24.857 6.430 1.00 0.00 O ATOM 788 CB GLU A 48 7.895 26.852 6.642 1.00 0.00 C ATOM 789 CG GLU A 48 6.551 27.466 6.999 1.00 0.00 C ATOM 790 CD GLU A 48 5.764 26.617 7.978 1.00 0.00 C ATOM 791 OE1 GLU A 48 6.069 25.413 8.099 1.00 0.00 O ATOM 792 OE2 GLU A 48 4.842 27.159 8.624 1.00 0.00 O ATOM 0 H GLU A 48 10.547 27.362 7.743 1.00 0.00 H new ATOM 0 HA GLU A 48 8.015 26.222 8.694 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.484 27.584 6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.733 26.005 5.975 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.710 28.455 7.428 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.965 27.603 6.090 1.00 0.00 H new ATOM 799 N GLN A 49 9.438 24.172 8.527 1.00 0.00 N ATOM 800 CA GLN A 49 10.076 22.873 8.355 1.00 0.00 C ATOM 801 C GLN A 49 9.456 22.112 7.188 1.00 0.00 C ATOM 802 O GLN A 49 10.090 21.237 6.596 1.00 0.00 O ATOM 803 CB GLN A 49 9.958 22.048 9.638 1.00 0.00 C ATOM 804 CG GLN A 49 10.867 22.529 10.757 1.00 0.00 C ATOM 805 CD GLN A 49 10.139 23.385 11.774 1.00 0.00 C ATOM 806 OE1 GLN A 49 9.160 22.950 12.381 1.00 0.00 O ATOM 807 NE2 GLN A 49 10.614 24.610 11.965 1.00 0.00 N ATOM 0 H GLN A 49 9.040 24.327 9.453 1.00 0.00 H new ATOM 0 HA GLN A 49 11.130 23.041 8.136 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.925 22.075 9.984 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.192 21.007 9.414 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.304 21.667 11.260 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.691 23.101 10.330 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.428 24.929 11.440 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.165 25.232 12.637 1.00 0.00 H new ATOM 816 N HIS A 50 8.212 22.450 6.861 1.00 0.00 N ATOM 817 CA HIS A 50 7.506 21.798 5.764 1.00 0.00 C ATOM 818 C HIS A 50 7.837 22.466 4.433 1.00 0.00 C ATOM 819 O HIS A 50 7.209 22.183 3.413 1.00 0.00 O ATOM 820 CB HIS A 50 5.997 21.838 6.007 1.00 0.00 C ATOM 821 CG HIS A 50 5.401 23.203 5.852 1.00 0.00 C ATOM 822 ND1 HIS A 50 4.598 23.787 6.809 1.00 0.00 N ATOM 823 CD2 HIS A 50 5.495 24.101 4.843 1.00 0.00 C ATOM 824 CE1 HIS A 50 4.224 24.985 6.395 1.00 0.00 C ATOM 825 NE2 HIS A 50 4.755 25.200 5.205 1.00 0.00 N ATOM 0 H HIS A 50 7.673 23.171 7.340 1.00 0.00 H new ATOM 0 HA HIS A 50 7.832 20.759 5.720 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.507 21.156 5.312 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.789 21.472 7.013 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.049 23.976 3.924 1.00 0.00 H new ATOM 0 HE1 HIS A 50 3.591 25.672 6.938 1.00 0.00 H new ATOM 0 HE2 HIS A 50 4.635 26.045 4.646 1.00 0.00 H new ATOM 833 N MET A 51 8.826 23.353 4.451 1.00 0.00 N ATOM 834 CA MET A 51 9.240 24.060 3.244 1.00 0.00 C ATOM 835 C MET A 51 10.685 23.726 2.887 1.00 0.00 C ATOM 836 O MET A 51 11.620 24.336 3.407 1.00 0.00 O ATOM 837 CB MET A 51 9.085 25.570 3.434 1.00 0.00 C ATOM 838 CG MET A 51 7.859 26.146 2.744 1.00 0.00 C ATOM 839 SD MET A 51 8.232 26.823 1.115 1.00 0.00 S ATOM 840 CE MET A 51 9.308 25.551 0.458 1.00 0.00 C ATOM 0 H MET A 51 9.356 23.600 5.287 1.00 0.00 H new ATOM 0 HA MET A 51 8.598 23.736 2.425 1.00 0.00 H new ATOM 0 HB2 MET A 51 9.029 25.790 4.500 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.975 26.069 3.052 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.103 25.367 2.645 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.430 26.929 3.369 1.00 0.00 H new ATOM 0 HE1 MET A 51 9.453 25.713 -0.610 1.00 0.00 H new ATOM 0 HE2 MET A 51 10.272 25.592 0.965 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.855 24.573 0.619 1.00 0.00 H new ATOM 850 N VAL A 52 10.861 22.755 1.997 1.00 0.00 N ATOM 851 CA VAL A 52 12.192 22.341 1.571 1.00 0.00 C ATOM 852 C VAL A 52 12.677 23.178 0.392 1.00 0.00 C ATOM 853 O VAL A 52 11.959 23.358 -0.592 1.00 0.00 O ATOM 854 CB VAL A 52 12.217 20.853 1.174 1.00 0.00 C ATOM 855 CG1 VAL A 52 13.522 20.509 0.472 1.00 0.00 C ATOM 856 CG2 VAL A 52 12.012 19.972 2.397 1.00 0.00 C ATOM 0 H VAL A 52 10.098 22.240 1.557 1.00 0.00 H new ATOM 0 HA VAL A 52 12.858 22.494 2.420 1.00 0.00 H new ATOM 0 HB VAL A 52 11.398 20.667 0.479 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.521 19.454 0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.622 21.116 -0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.359 20.710 1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.032 18.924 2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.808 20.159 3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 52 11.049 20.201 2.853 1.00 0.00 H new ATOM 866 N TYR A 53 13.899 23.687 0.498 1.00 0.00 N ATOM 867 CA TYR A 53 14.479 24.508 -0.558 1.00 0.00 C ATOM 868 C TYR A 53 15.686 23.815 -1.185 1.00 0.00 C ATOM 869 O TYR A 53 16.831 24.189 -0.931 1.00 0.00 O ATOM 870 CB TYR A 53 14.892 25.873 -0.004 1.00 0.00 C ATOM 871 CG TYR A 53 13.779 26.896 -0.026 1.00 0.00 C ATOM 872 CD1 TYR A 53 13.190 27.286 -1.222 1.00 0.00 C ATOM 873 CD2 TYR A 53 13.316 27.473 1.150 1.00 0.00 C ATOM 874 CE1 TYR A 53 12.174 28.221 -1.247 1.00 0.00 C ATOM 875 CE2 TYR A 53 12.300 28.408 1.136 1.00 0.00 C ATOM 876 CZ TYR A 53 11.732 28.779 -0.066 1.00 0.00 C ATOM 877 OH TYR A 53 10.719 29.710 -0.086 1.00 0.00 O ATOM 0 H TYR A 53 14.507 23.546 1.304 1.00 0.00 H new ATOM 0 HA TYR A 53 13.722 24.651 -1.329 1.00 0.00 H new ATOM 0 HB2 TYR A 53 15.241 25.749 1.021 1.00 0.00 H new ATOM 0 HB3 TYR A 53 15.734 26.252 -0.584 1.00 0.00 H new ATOM 0 HD1 TYR A 53 13.533 26.850 -2.149 1.00 0.00 H new ATOM 0 HD2 TYR A 53 13.759 27.185 2.092 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.728 28.514 -2.186 1.00 0.00 H new ATOM 0 HE2 TYR A 53 11.952 28.846 2.060 1.00 0.00 H new ATOM 0 HH TYR A 53 10.526 30.003 0.829 1.00 0.00 H new ATOM 887 N CYS A 54 15.419 22.805 -2.005 1.00 0.00 N ATOM 888 CA CYS A 54 16.482 22.059 -2.669 1.00 0.00 C ATOM 889 C CYS A 54 17.410 22.998 -3.433 1.00 0.00 C ATOM 890 O CYS A 54 18.609 22.747 -3.544 1.00 0.00 O ATOM 891 CB CYS A 54 15.886 21.023 -3.624 1.00 0.00 C ATOM 892 SG CYS A 54 14.440 21.607 -4.538 1.00 0.00 S ATOM 0 H CYS A 54 14.476 22.484 -2.226 1.00 0.00 H new ATOM 0 HA CYS A 54 17.064 21.545 -1.904 1.00 0.00 H new ATOM 0 HB2 CYS A 54 16.653 20.717 -4.336 1.00 0.00 H new ATOM 0 HB3 CYS A 54 15.608 20.136 -3.054 1.00 0.00 H new ATOM 0 HG CYS A 54 14.307 22.889 -4.367 1.00 0.00 H new ATOM 898 N GLY A 55 16.845 24.080 -3.961 1.00 0.00 N ATOM 899 CA GLY A 55 17.636 25.039 -4.710 1.00 0.00 C ATOM 900 C GLY A 55 18.323 24.414 -5.908 1.00 0.00 C ATOM 901 O GLY A 55 17.841 24.523 -7.035 1.00 0.00 O ATOM 0 H GLY A 55 15.854 24.309 -3.883 1.00 0.00 H new ATOM 0 HA2 GLY A 55 16.993 25.852 -5.047 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.387 25.478 -4.053 1.00 0.00 H new ATOM 905 N GLY A 56 19.454 23.759 -5.665 1.00 0.00 N ATOM 906 CA GLY A 56 20.190 23.126 -6.744 1.00 0.00 C ATOM 907 C GLY A 56 21.144 22.058 -6.246 1.00 0.00 C ATOM 908 O GLY A 56 22.120 21.726 -6.918 1.00 0.00 O ATOM 0 H GLY A 56 19.874 23.655 -4.741 1.00 0.00 H new ATOM 0 HA2 GLY A 56 19.486 22.681 -7.448 1.00 0.00 H new ATOM 0 HA3 GLY A 56 20.751 23.884 -7.291 1.00 0.00 H new ATOM 912 N ASP A 57 20.863 21.521 -5.064 1.00 0.00 N ATOM 913 CA ASP A 57 21.704 20.485 -4.476 1.00 0.00 C ATOM 914 C ASP A 57 21.420 19.128 -5.113 1.00 0.00 C ATOM 915 O ASP A 57 20.668 19.031 -6.084 1.00 0.00 O ATOM 916 CB ASP A 57 21.476 20.410 -2.965 1.00 0.00 C ATOM 917 CG ASP A 57 22.763 20.184 -2.196 1.00 0.00 C ATOM 918 OD1 ASP A 57 23.743 19.710 -2.807 1.00 0.00 O ATOM 919 OD2 ASP A 57 22.790 20.480 -0.983 1.00 0.00 O ATOM 0 H ASP A 57 20.059 21.786 -4.494 1.00 0.00 H new ATOM 0 HA ASP A 57 22.745 20.745 -4.667 1.00 0.00 H new ATOM 0 HB2 ASP A 57 21.010 21.335 -2.624 1.00 0.00 H new ATOM 0 HB3 ASP A 57 20.778 19.602 -2.745 1.00 0.00 H new ATOM 924 N LEU A 58 22.028 18.083 -4.562 1.00 0.00 N ATOM 925 CA LEU A 58 21.842 16.731 -5.077 1.00 0.00 C ATOM 926 C LEU A 58 20.365 16.439 -5.321 1.00 0.00 C ATOM 927 O LEU A 58 19.967 16.077 -6.429 1.00 0.00 O ATOM 928 CB LEU A 58 22.421 15.707 -4.099 1.00 0.00 C ATOM 929 CG LEU A 58 23.923 15.446 -4.212 1.00 0.00 C ATOM 930 CD1 LEU A 58 24.584 16.500 -5.087 1.00 0.00 C ATOM 931 CD2 LEU A 58 24.565 15.416 -2.833 1.00 0.00 C ATOM 0 H LEU A 58 22.654 18.146 -3.759 1.00 0.00 H new ATOM 0 HA LEU A 58 22.370 16.656 -6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 58 22.206 16.042 -3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 58 21.897 14.762 -4.241 1.00 0.00 H new ATOM 0 HG LEU A 58 24.068 14.472 -4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 58 25.653 16.298 -5.156 1.00 0.00 H new ATOM 0 HD12 LEU A 58 24.145 16.473 -6.084 1.00 0.00 H new ATOM 0 HD13 LEU A 58 24.429 17.486 -4.649 1.00 0.00 H new ATOM 0 HD21 LEU A 58 25.634 15.229 -2.933 1.00 0.00 H new ATOM 0 HD22 LEU A 58 24.409 16.375 -2.338 1.00 0.00 H new ATOM 0 HD23 LEU A 58 24.112 14.623 -2.238 1.00 0.00 H new ATOM 943 N LEU A 59 19.556 16.601 -4.280 1.00 0.00 N ATOM 944 CA LEU A 59 18.121 16.357 -4.381 1.00 0.00 C ATOM 945 C LEU A 59 17.479 17.300 -5.394 1.00 0.00 C ATOM 946 O LEU A 59 16.622 16.894 -6.179 1.00 0.00 O ATOM 947 CB LEU A 59 17.457 16.531 -3.014 1.00 0.00 C ATOM 948 CG LEU A 59 16.918 17.927 -2.701 1.00 0.00 C ATOM 949 CD1 LEU A 59 15.978 17.882 -1.506 1.00 0.00 C ATOM 950 CD2 LEU A 59 18.064 18.895 -2.444 1.00 0.00 C ATOM 0 H LEU A 59 19.869 16.900 -3.356 1.00 0.00 H new ATOM 0 HA LEU A 59 17.974 15.332 -4.722 1.00 0.00 H new ATOM 0 HB2 LEU A 59 16.634 15.821 -2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 59 18.181 16.262 -2.244 1.00 0.00 H new ATOM 0 HG LEU A 59 16.356 18.281 -3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.605 18.885 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 59 15.140 17.221 -1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 59 16.515 17.507 -0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 59 17.662 19.884 -2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 59 18.653 18.545 -1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 59 18.699 18.951 -3.329 1.00 0.00 H new ATOM 962 N GLY A 60 17.900 18.561 -5.372 1.00 0.00 N ATOM 963 CA GLY A 60 17.357 19.541 -6.294 1.00 0.00 C ATOM 964 C GLY A 60 17.592 19.165 -7.744 1.00 0.00 C ATOM 965 O GLY A 60 16.709 19.330 -8.585 1.00 0.00 O ATOM 0 H GLY A 60 18.608 18.921 -4.732 1.00 0.00 H new ATOM 0 HA2 GLY A 60 16.286 19.647 -6.118 1.00 0.00 H new ATOM 0 HA3 GLY A 60 17.810 20.512 -6.096 1.00 0.00 H new ATOM 969 N GLU A 61 18.786 18.659 -8.037 1.00 0.00 N ATOM 970 CA GLU A 61 19.134 18.261 -9.396 1.00 0.00 C ATOM 971 C GLU A 61 18.406 16.980 -9.791 1.00 0.00 C ATOM 972 O GLU A 61 17.969 16.827 -10.933 1.00 0.00 O ATOM 973 CB GLU A 61 20.645 18.062 -9.521 1.00 0.00 C ATOM 974 CG GLU A 61 21.061 16.603 -9.613 1.00 0.00 C ATOM 975 CD GLU A 61 20.737 15.987 -10.960 1.00 0.00 C ATOM 976 OE1 GLU A 61 20.596 16.746 -11.942 1.00 0.00 O ATOM 977 OE2 GLU A 61 20.624 14.746 -11.033 1.00 0.00 O ATOM 0 H GLU A 61 19.528 18.515 -7.352 1.00 0.00 H new ATOM 0 HA GLU A 61 18.823 19.058 -10.072 1.00 0.00 H new ATOM 0 HB2 GLU A 61 21.000 18.589 -10.406 1.00 0.00 H new ATOM 0 HB3 GLU A 61 21.135 18.517 -8.661 1.00 0.00 H new ATOM 0 HG2 GLU A 61 22.132 16.522 -9.429 1.00 0.00 H new ATOM 0 HG3 GLU A 61 20.560 16.036 -8.829 1.00 0.00 H new ATOM 984 N LEU A 62 18.280 16.061 -8.840 1.00 0.00 N ATOM 985 CA LEU A 62 17.605 14.791 -9.088 1.00 0.00 C ATOM 986 C LEU A 62 16.147 15.015 -9.474 1.00 0.00 C ATOM 987 O LEU A 62 15.637 14.389 -10.405 1.00 0.00 O ATOM 988 CB LEU A 62 17.684 13.899 -7.847 1.00 0.00 C ATOM 989 CG LEU A 62 18.173 12.469 -8.080 1.00 0.00 C ATOM 990 CD1 LEU A 62 17.330 11.783 -9.144 1.00 0.00 C ATOM 991 CD2 LEU A 62 19.642 12.464 -8.476 1.00 0.00 C ATOM 0 H LEU A 62 18.636 16.171 -7.891 1.00 0.00 H new ATOM 0 HA LEU A 62 18.109 14.296 -9.918 1.00 0.00 H new ATOM 0 HB2 LEU A 62 18.346 14.375 -7.123 1.00 0.00 H new ATOM 0 HB3 LEU A 62 16.694 13.854 -7.393 1.00 0.00 H new ATOM 0 HG LEU A 62 18.067 11.914 -7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 62 17.693 10.766 -9.296 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.290 11.752 -8.820 1.00 0.00 H new ATOM 0 HD13 LEU A 62 17.402 12.338 -10.079 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.972 11.438 -8.637 1.00 0.00 H new ATOM 0 HD22 LEU A 62 19.773 13.036 -9.394 1.00 0.00 H new ATOM 0 HD23 LEU A 62 20.235 12.915 -7.680 1.00 0.00 H new ATOM 1003 N LEU A 63 15.481 15.913 -8.757 1.00 0.00 N ATOM 1004 CA LEU A 63 14.081 16.223 -9.026 1.00 0.00 C ATOM 1005 C LEU A 63 13.944 17.069 -10.287 1.00 0.00 C ATOM 1006 O LEU A 63 13.120 16.780 -11.154 1.00 0.00 O ATOM 1007 CB LEU A 63 13.463 16.957 -7.835 1.00 0.00 C ATOM 1008 CG LEU A 63 12.519 16.136 -6.957 1.00 0.00 C ATOM 1009 CD1 LEU A 63 12.700 16.501 -5.491 1.00 0.00 C ATOM 1010 CD2 LEU A 63 11.074 16.346 -7.385 1.00 0.00 C ATOM 0 H LEU A 63 15.888 16.440 -7.984 1.00 0.00 H new ATOM 0 HA LEU A 63 13.549 15.284 -9.181 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.271 17.337 -7.209 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.917 17.822 -8.211 1.00 0.00 H new ATOM 0 HG LEU A 63 12.765 15.081 -7.081 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.020 15.906 -4.881 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.728 16.299 -5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.482 17.560 -5.350 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.416 15.754 -6.749 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.816 17.401 -7.291 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.953 16.034 -8.422 1.00 0.00 H new ATOM 1022 N GLY A 64 14.759 18.115 -10.384 1.00 0.00 N ATOM 1023 CA GLY A 64 14.713 18.986 -11.544 1.00 0.00 C ATOM 1024 C GLY A 64 13.864 20.220 -11.310 1.00 0.00 C ATOM 1025 O GLY A 64 13.361 20.824 -12.258 1.00 0.00 O ATOM 0 H GLY A 64 15.450 18.375 -9.680 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.726 19.290 -11.806 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.316 18.432 -12.395 1.00 0.00 H new ATOM 1029 N ARG A 65 13.702 20.594 -10.045 1.00 0.00 N ATOM 1030 CA ARG A 65 12.905 21.761 -9.690 1.00 0.00 C ATOM 1031 C ARG A 65 13.729 22.755 -8.876 1.00 0.00 C ATOM 1032 O ARG A 65 14.955 22.793 -8.983 1.00 0.00 O ATOM 1033 CB ARG A 65 11.668 21.338 -8.896 1.00 0.00 C ATOM 1034 CG ARG A 65 10.993 20.089 -9.440 1.00 0.00 C ATOM 1035 CD ARG A 65 9.778 20.436 -10.287 1.00 0.00 C ATOM 1036 NE ARG A 65 10.029 20.236 -11.712 1.00 0.00 N ATOM 1037 CZ ARG A 65 9.136 20.500 -12.659 1.00 0.00 C ATOM 1038 NH1 ARG A 65 7.940 20.971 -12.335 1.00 0.00 N ATOM 1039 NH2 ARG A 65 9.439 20.292 -13.934 1.00 0.00 N ATOM 0 H ARG A 65 14.112 20.105 -9.249 1.00 0.00 H new ATOM 0 HA ARG A 65 12.588 22.247 -10.613 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.954 21.164 -7.859 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.950 22.158 -8.895 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.705 19.521 -10.039 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.690 19.448 -8.612 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.933 19.821 -9.978 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.498 21.474 -10.111 1.00 0.00 H new ATOM 0 HE ARG A 65 10.940 19.874 -11.995 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.703 21.132 -11.356 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.256 21.173 -13.065 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.358 19.929 -14.187 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.753 20.495 -14.661 1.00 0.00 H new ATOM 1053 N GLN A 66 13.048 23.555 -8.063 1.00 0.00 N ATOM 1054 CA GLN A 66 13.717 24.549 -7.232 1.00 0.00 C ATOM 1055 C GLN A 66 13.433 24.303 -5.754 1.00 0.00 C ATOM 1056 O GLN A 66 14.334 24.378 -4.918 1.00 0.00 O ATOM 1057 CB GLN A 66 13.266 25.958 -7.622 1.00 0.00 C ATOM 1058 CG GLN A 66 11.849 26.014 -8.169 1.00 0.00 C ATOM 1059 CD GLN A 66 11.275 27.417 -8.160 1.00 0.00 C ATOM 1060 OE1 GLN A 66 11.340 28.133 -9.159 1.00 0.00 O ATOM 1061 NE2 GLN A 66 10.708 27.818 -7.027 1.00 0.00 N ATOM 0 H GLN A 66 12.033 23.535 -7.962 1.00 0.00 H new ATOM 0 HA GLN A 66 14.791 24.460 -7.397 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.335 26.607 -6.749 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.951 26.356 -8.370 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.842 25.629 -9.189 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.209 25.360 -7.577 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.676 27.191 -6.223 1.00 0.00 H new ATOM 0 HE22 GLN A 66 10.305 28.753 -6.961 1.00 0.00 H new ATOM 1070 N SER A 67 12.176 24.009 -5.438 1.00 0.00 N ATOM 1071 CA SER A 67 11.773 23.756 -4.060 1.00 0.00 C ATOM 1072 C SER A 67 10.494 22.925 -4.012 1.00 0.00 C ATOM 1073 O SER A 67 9.694 22.942 -4.947 1.00 0.00 O ATOM 1074 CB SER A 67 11.564 25.077 -3.317 1.00 0.00 C ATOM 1075 OG SER A 67 11.394 26.152 -4.224 1.00 0.00 O ATOM 0 H SER A 67 11.419 23.940 -6.118 1.00 0.00 H new ATOM 0 HA SER A 67 12.569 23.194 -3.572 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.689 25.000 -2.672 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.420 25.274 -2.671 1.00 0.00 H new ATOM 0 HG SER A 67 11.261 26.984 -3.724 1.00 0.00 H new ATOM 1081 N PHE A 68 10.310 22.198 -2.915 1.00 0.00 N ATOM 1082 CA PHE A 68 9.130 21.359 -2.744 1.00 0.00 C ATOM 1083 C PHE A 68 8.696 21.322 -1.281 1.00 0.00 C ATOM 1084 O PHE A 68 9.519 21.448 -0.375 1.00 0.00 O ATOM 1085 CB PHE A 68 9.411 19.939 -3.239 1.00 0.00 C ATOM 1086 CG PHE A 68 10.549 19.268 -2.523 1.00 0.00 C ATOM 1087 CD1 PHE A 68 10.407 18.847 -1.211 1.00 0.00 C ATOM 1088 CD2 PHE A 68 11.760 19.060 -3.162 1.00 0.00 C ATOM 1089 CE1 PHE A 68 11.451 18.230 -0.549 1.00 0.00 C ATOM 1090 CE2 PHE A 68 12.808 18.443 -2.506 1.00 0.00 C ATOM 1091 CZ PHE A 68 12.654 18.028 -1.197 1.00 0.00 C ATOM 0 H PHE A 68 10.963 22.173 -2.132 1.00 0.00 H new ATOM 0 HA PHE A 68 8.321 21.789 -3.335 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.511 19.336 -3.119 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.632 19.972 -4.306 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.469 19.003 -0.699 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.887 19.384 -4.185 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.327 17.906 0.474 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.747 18.285 -3.016 1.00 0.00 H new ATOM 0 HZ PHE A 68 13.472 17.547 -0.682 1.00 0.00 H new ATOM 1101 N SER A 69 7.396 21.150 -1.060 1.00 0.00 N ATOM 1102 CA SER A 69 6.851 21.102 0.292 1.00 0.00 C ATOM 1103 C SER A 69 6.869 19.676 0.834 1.00 0.00 C ATOM 1104 O SER A 69 6.532 18.726 0.126 1.00 0.00 O ATOM 1105 CB SER A 69 5.422 21.648 0.308 1.00 0.00 C ATOM 1106 OG SER A 69 4.947 21.872 -1.008 1.00 0.00 O ATOM 0 H SER A 69 6.701 21.042 -1.799 1.00 0.00 H new ATOM 0 HA SER A 69 7.477 21.724 0.932 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.766 20.944 0.820 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.392 22.580 0.872 1.00 0.00 H new ATOM 0 HG SER A 69 4.031 22.219 -0.971 1.00 0.00 H new ATOM 1112 N VAL A 70 7.264 19.534 2.095 1.00 0.00 N ATOM 1113 CA VAL A 70 7.325 18.224 2.734 1.00 0.00 C ATOM 1114 C VAL A 70 5.932 17.731 3.110 1.00 0.00 C ATOM 1115 O VAL A 70 5.637 16.539 3.014 1.00 0.00 O ATOM 1116 CB VAL A 70 8.204 18.257 3.998 1.00 0.00 C ATOM 1117 CG1 VAL A 70 9.266 19.341 3.882 1.00 0.00 C ATOM 1118 CG2 VAL A 70 7.348 18.469 5.237 1.00 0.00 C ATOM 0 H VAL A 70 7.547 20.309 2.694 1.00 0.00 H new ATOM 0 HA VAL A 70 7.767 17.539 2.011 1.00 0.00 H new ATOM 0 HB VAL A 70 8.709 17.296 4.093 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.877 19.349 4.784 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.898 19.140 3.017 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.784 20.311 3.761 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.986 18.490 6.121 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.814 19.415 5.153 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.630 17.654 5.327 1.00 0.00 H new ATOM 1128 N LYS A 71 5.079 18.655 3.538 1.00 0.00 N ATOM 1129 CA LYS A 71 3.715 18.316 3.927 1.00 0.00 C ATOM 1130 C LYS A 71 2.891 17.898 2.713 1.00 0.00 C ATOM 1131 O LYS A 71 1.867 17.227 2.848 1.00 0.00 O ATOM 1132 CB LYS A 71 3.050 19.506 4.622 1.00 0.00 C ATOM 1133 CG LYS A 71 2.318 19.133 5.899 1.00 0.00 C ATOM 1134 CD LYS A 71 1.519 20.304 6.447 1.00 0.00 C ATOM 1135 CE LYS A 71 2.420 21.479 6.794 1.00 0.00 C ATOM 1136 NZ LYS A 71 2.145 22.662 5.932 1.00 0.00 N ATOM 0 H LYS A 71 5.308 19.645 3.624 1.00 0.00 H new ATOM 0 HA LYS A 71 3.760 17.476 4.621 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.810 20.252 4.854 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.346 19.972 3.932 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.649 18.295 5.704 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.037 18.800 6.647 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.778 20.617 5.711 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.972 19.989 7.335 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.276 21.750 7.840 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.463 21.183 6.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.025 23.197 5.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.776 22.344 5.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.442 23.273 6.395 1.00 0.00 H new ATOM 1150 N ASP A 72 3.345 18.296 1.530 1.00 0.00 N ATOM 1151 CA ASP A 72 2.651 17.960 0.293 1.00 0.00 C ATOM 1152 C ASP A 72 3.486 17.007 -0.557 1.00 0.00 C ATOM 1153 O ASP A 72 4.294 17.423 -1.388 1.00 0.00 O ATOM 1154 CB ASP A 72 2.336 19.229 -0.501 1.00 0.00 C ATOM 1155 CG ASP A 72 1.495 18.948 -1.731 1.00 0.00 C ATOM 1156 OD1 ASP A 72 0.560 18.125 -1.636 1.00 0.00 O ATOM 1157 OD2 ASP A 72 1.770 19.553 -2.788 1.00 0.00 O ATOM 0 H ASP A 72 4.191 18.852 1.402 1.00 0.00 H new ATOM 0 HA ASP A 72 1.717 17.462 0.553 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.810 19.935 0.142 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.268 19.706 -0.803 1.00 0.00 H new ATOM 1162 N PRO A 73 3.288 15.697 -0.346 1.00 0.00 N ATOM 1163 CA PRO A 73 4.014 14.658 -1.083 1.00 0.00 C ATOM 1164 C PRO A 73 3.594 14.585 -2.547 1.00 0.00 C ATOM 1165 O PRO A 73 3.084 13.564 -3.006 1.00 0.00 O ATOM 1166 CB PRO A 73 3.629 13.370 -0.351 1.00 0.00 C ATOM 1167 CG PRO A 73 2.309 13.669 0.273 1.00 0.00 C ATOM 1168 CD PRO A 73 2.341 15.130 0.628 1.00 0.00 C ATOM 0 HA PRO A 73 5.087 14.848 -1.105 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.560 12.529 -1.040 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.372 13.105 0.402 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.493 13.453 -0.417 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.148 13.055 1.159 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.355 15.586 0.542 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.677 15.287 1.653 1.00 0.00 H new ATOM 1176 N SER A 74 3.813 15.675 -3.276 1.00 0.00 N ATOM 1177 CA SER A 74 3.454 15.736 -4.688 1.00 0.00 C ATOM 1178 C SER A 74 4.661 15.426 -5.569 1.00 0.00 C ATOM 1179 O SER A 74 4.741 14.377 -6.209 1.00 0.00 O ATOM 1180 CB SER A 74 2.896 17.117 -5.035 1.00 0.00 C ATOM 1181 OG SER A 74 1.479 17.105 -5.055 1.00 0.00 O ATOM 0 H SER A 74 4.237 16.528 -2.912 1.00 0.00 H new ATOM 0 HA SER A 74 2.687 14.985 -4.875 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.246 17.848 -4.306 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.274 17.431 -6.008 1.00 0.00 H new ATOM 0 HG SER A 74 1.147 18.000 -5.278 1.00 0.00 H new ATOM 1187 N PRO A 75 5.623 16.359 -5.602 1.00 0.00 N ATOM 1188 CA PRO A 75 6.844 16.209 -6.400 1.00 0.00 C ATOM 1189 C PRO A 75 7.771 15.133 -5.845 1.00 0.00 C ATOM 1190 O PRO A 75 8.549 14.529 -6.583 1.00 0.00 O ATOM 1191 CB PRO A 75 7.504 17.587 -6.301 1.00 0.00 C ATOM 1192 CG PRO A 75 6.993 18.161 -5.024 1.00 0.00 C ATOM 1193 CD PRO A 75 5.594 17.633 -4.864 1.00 0.00 C ATOM 0 HA PRO A 75 6.627 15.897 -7.422 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.591 17.506 -6.292 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.239 18.215 -7.151 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.621 17.864 -4.184 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.998 19.251 -5.056 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.338 17.484 -3.815 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.856 18.320 -5.277 1.00 0.00 H new ATOM 1201 N LEU A 76 7.682 14.899 -4.540 1.00 0.00 N ATOM 1202 CA LEU A 76 8.513 13.895 -3.885 1.00 0.00 C ATOM 1203 C LEU A 76 8.291 12.517 -4.502 1.00 0.00 C ATOM 1204 O LEU A 76 9.244 11.825 -4.859 1.00 0.00 O ATOM 1205 CB LEU A 76 8.208 13.850 -2.387 1.00 0.00 C ATOM 1206 CG LEU A 76 9.091 12.924 -1.550 1.00 0.00 C ATOM 1207 CD1 LEU A 76 10.353 13.647 -1.106 1.00 0.00 C ATOM 1208 CD2 LEU A 76 8.323 12.399 -0.345 1.00 0.00 C ATOM 0 H LEU A 76 7.043 15.391 -3.915 1.00 0.00 H new ATOM 0 HA LEU A 76 9.557 14.174 -4.029 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.295 14.861 -1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 76 7.170 13.545 -2.257 1.00 0.00 H new ATOM 0 HG LEU A 76 9.382 12.075 -2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.969 12.972 -0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.913 13.972 -1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.083 14.515 -0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.967 11.742 0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.002 13.236 0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.449 11.843 -0.685 1.00 0.00 H new ATOM 1220 N TYR A 77 7.027 12.128 -4.627 1.00 0.00 N ATOM 1221 CA TYR A 77 6.680 10.834 -5.201 1.00 0.00 C ATOM 1222 C TYR A 77 6.999 10.796 -6.693 1.00 0.00 C ATOM 1223 O TYR A 77 7.492 9.792 -7.208 1.00 0.00 O ATOM 1224 CB TYR A 77 5.196 10.535 -4.978 1.00 0.00 C ATOM 1225 CG TYR A 77 4.901 9.901 -3.637 1.00 0.00 C ATOM 1226 CD1 TYR A 77 5.148 8.551 -3.416 1.00 0.00 C ATOM 1227 CD2 TYR A 77 4.376 10.651 -2.592 1.00 0.00 C ATOM 1228 CE1 TYR A 77 4.879 7.967 -2.193 1.00 0.00 C ATOM 1229 CE2 TYR A 77 4.106 10.076 -1.366 1.00 0.00 C ATOM 1230 CZ TYR A 77 4.359 8.734 -1.171 1.00 0.00 C ATOM 1231 OH TYR A 77 4.090 8.157 0.049 1.00 0.00 O ATOM 0 H TYR A 77 6.226 12.690 -4.339 1.00 0.00 H new ATOM 0 HA TYR A 77 7.277 10.072 -4.701 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.630 11.463 -5.064 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.845 9.872 -5.769 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.557 7.949 -4.214 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.176 11.702 -2.741 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.075 6.916 -2.038 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.699 10.674 -0.564 1.00 0.00 H new ATOM 0 HH TYR A 77 3.150 8.309 0.283 1.00 0.00 H new ATOM 1241 N ASP A 78 6.714 11.896 -7.380 1.00 0.00 N ATOM 1242 CA ASP A 78 6.971 11.992 -8.812 1.00 0.00 C ATOM 1243 C ASP A 78 8.438 11.708 -9.121 1.00 0.00 C ATOM 1244 O ASP A 78 8.759 11.056 -10.114 1.00 0.00 O ATOM 1245 CB ASP A 78 6.588 13.379 -9.330 1.00 0.00 C ATOM 1246 CG ASP A 78 5.803 13.316 -10.625 1.00 0.00 C ATOM 1247 OD1 ASP A 78 6.082 12.417 -11.445 1.00 0.00 O ATOM 1248 OD2 ASP A 78 4.910 14.167 -10.820 1.00 0.00 O ATOM 0 H ASP A 78 6.305 12.735 -6.968 1.00 0.00 H new ATOM 0 HA ASP A 78 6.360 11.243 -9.316 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.996 13.895 -8.574 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.492 13.968 -9.485 1.00 0.00 H new ATOM 1253 N MET A 79 9.324 12.203 -8.263 1.00 0.00 N ATOM 1254 CA MET A 79 10.757 12.002 -8.444 1.00 0.00 C ATOM 1255 C MET A 79 11.163 10.586 -8.047 1.00 0.00 C ATOM 1256 O MET A 79 11.881 9.906 -8.781 1.00 0.00 O ATOM 1257 CB MET A 79 11.545 13.021 -7.619 1.00 0.00 C ATOM 1258 CG MET A 79 13.046 12.781 -7.629 1.00 0.00 C ATOM 1259 SD MET A 79 13.788 12.954 -5.995 1.00 0.00 S ATOM 1260 CE MET A 79 12.695 11.927 -5.016 1.00 0.00 C ATOM 0 H MET A 79 9.075 12.746 -7.436 1.00 0.00 H new ATOM 0 HA MET A 79 10.987 12.144 -9.500 1.00 0.00 H new ATOM 0 HB2 MET A 79 11.343 14.021 -8.003 1.00 0.00 H new ATOM 0 HB3 MET A 79 11.188 12.996 -6.589 1.00 0.00 H new ATOM 0 HG2 MET A 79 13.247 11.780 -8.011 1.00 0.00 H new ATOM 0 HG3 MET A 79 13.518 13.485 -8.314 1.00 0.00 H new ATOM 0 HE1 MET A 79 13.153 11.729 -4.047 1.00 0.00 H new ATOM 0 HE2 MET A 79 11.745 12.442 -4.870 1.00 0.00 H new ATOM 0 HE3 MET A 79 12.521 10.984 -5.534 1.00 0.00 H new ATOM 1270 N LEU A 80 10.698 10.148 -6.882 1.00 0.00 N ATOM 1271 CA LEU A 80 11.013 8.812 -6.387 1.00 0.00 C ATOM 1272 C LEU A 80 10.661 7.750 -7.424 1.00 0.00 C ATOM 1273 O LEU A 80 11.371 6.755 -7.574 1.00 0.00 O ATOM 1274 CB LEU A 80 10.259 8.539 -5.084 1.00 0.00 C ATOM 1275 CG LEU A 80 10.716 9.338 -3.864 1.00 0.00 C ATOM 1276 CD1 LEU A 80 9.750 9.145 -2.706 1.00 0.00 C ATOM 1277 CD2 LEU A 80 12.126 8.932 -3.458 1.00 0.00 C ATOM 0 H LEU A 80 10.102 10.698 -6.263 1.00 0.00 H new ATOM 0 HA LEU A 80 12.085 8.765 -6.196 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.201 8.742 -5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.347 7.478 -4.852 1.00 0.00 H new ATOM 0 HG LEU A 80 10.726 10.395 -4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.092 9.722 -1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.757 9.486 -3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.707 8.089 -2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 80 12.435 9.511 -2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 80 12.142 7.870 -3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 80 12.812 9.124 -4.283 1.00 0.00 H new ATOM 1289 N ARG A 81 9.562 7.969 -8.138 1.00 0.00 N ATOM 1290 CA ARG A 81 9.116 7.031 -9.161 1.00 0.00 C ATOM 1291 C ARG A 81 10.307 6.392 -9.869 1.00 0.00 C ATOM 1292 O ARG A 81 10.453 5.170 -9.881 1.00 0.00 O ATOM 1293 CB ARG A 81 8.225 7.743 -10.181 1.00 0.00 C ATOM 1294 CG ARG A 81 6.781 7.891 -9.730 1.00 0.00 C ATOM 1295 CD ARG A 81 6.120 9.104 -10.366 1.00 0.00 C ATOM 1296 NE ARG A 81 5.392 8.756 -11.583 1.00 0.00 N ATOM 1297 CZ ARG A 81 4.349 7.934 -11.606 1.00 0.00 C ATOM 1298 NH1 ARG A 81 3.913 7.379 -10.483 1.00 0.00 N ATOM 1299 NH2 ARG A 81 3.739 7.666 -12.753 1.00 0.00 N ATOM 0 H ARG A 81 8.964 8.788 -8.027 1.00 0.00 H new ATOM 0 HA ARG A 81 8.541 6.244 -8.672 1.00 0.00 H new ATOM 0 HB2 ARG A 81 8.637 8.732 -10.383 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.249 7.190 -11.120 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.223 6.992 -9.992 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.745 7.983 -8.644 1.00 0.00 H new ATOM 0 HD2 ARG A 81 5.434 9.559 -9.651 1.00 0.00 H new ATOM 0 HD3 ARG A 81 6.880 9.850 -10.599 1.00 0.00 H new ATOM 0 HE ARG A 81 5.701 9.167 -12.464 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.379 7.583 -9.599 1.00 0.00 H new ATOM 0 HH12 ARG A 81 3.112 6.748 -10.504 1.00 0.00 H new ATOM 0 HH21 ARG A 81 4.071 8.091 -13.619 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.938 7.035 -12.769 1.00 0.00 H new ATOM 1313 N LYS A 82 11.157 7.227 -10.458 1.00 0.00 N ATOM 1314 CA LYS A 82 12.336 6.746 -11.167 1.00 0.00 C ATOM 1315 C LYS A 82 13.608 7.072 -10.391 1.00 0.00 C ATOM 1316 O LYS A 82 14.710 6.726 -10.815 1.00 0.00 O ATOM 1317 CB LYS A 82 12.405 7.366 -12.564 1.00 0.00 C ATOM 1318 CG LYS A 82 13.232 8.638 -12.625 1.00 0.00 C ATOM 1319 CD LYS A 82 12.667 9.715 -11.714 1.00 0.00 C ATOM 1320 CE LYS A 82 11.256 10.107 -12.122 1.00 0.00 C ATOM 1321 NZ LYS A 82 11.148 11.562 -12.418 1.00 0.00 N ATOM 0 H LYS A 82 11.050 8.241 -10.458 1.00 0.00 H new ATOM 0 HA LYS A 82 12.256 5.663 -11.261 1.00 0.00 H new ATOM 0 HB2 LYS A 82 12.825 6.636 -13.256 1.00 0.00 H new ATOM 0 HB3 LYS A 82 11.393 7.584 -12.906 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.260 8.419 -12.337 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.260 9.006 -13.651 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.663 9.357 -10.685 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.312 10.593 -11.743 1.00 0.00 H new ATOM 0 HE2 LYS A 82 10.960 9.535 -13.001 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.561 9.846 -11.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.153 11.808 -12.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.502 12.108 -11.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.714 11.788 -13.261 1.00 0.00 H new ATOM 1335 N ASN A 83 13.448 7.738 -9.252 1.00 0.00 N ATOM 1336 CA ASN A 83 14.584 8.109 -8.417 1.00 0.00 C ATOM 1337 C ASN A 83 14.851 7.045 -7.357 1.00 0.00 C ATOM 1338 O ASN A 83 15.978 6.571 -7.208 1.00 0.00 O ATOM 1339 CB ASN A 83 14.330 9.461 -7.747 1.00 0.00 C ATOM 1340 CG ASN A 83 15.320 9.749 -6.634 1.00 0.00 C ATOM 1341 OD1 ASN A 83 16.340 10.404 -6.850 1.00 0.00 O ATOM 1342 ND2 ASN A 83 15.023 9.259 -5.436 1.00 0.00 N ATOM 0 H ASN A 83 12.542 8.032 -8.886 1.00 0.00 H new ATOM 0 HA ASN A 83 15.463 8.187 -9.056 1.00 0.00 H new ATOM 0 HB2 ASN A 83 14.389 10.251 -8.495 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.318 9.479 -7.343 1.00 0.00 H new ATOM 0 HD21 ASN A 83 15.652 9.420 -4.649 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.166 8.722 -5.303 1.00 0.00 H new ATOM 1349 N LEU A 84 13.807 6.674 -6.624 1.00 0.00 N ATOM 1350 CA LEU A 84 13.928 5.664 -5.577 1.00 0.00 C ATOM 1351 C LEU A 84 14.054 4.268 -6.179 1.00 0.00 C ATOM 1352 O LEU A 84 13.053 3.628 -6.503 1.00 0.00 O ATOM 1353 CB LEU A 84 12.718 5.723 -4.643 1.00 0.00 C ATOM 1354 CG LEU A 84 13.021 5.982 -3.167 1.00 0.00 C ATOM 1355 CD1 LEU A 84 11.734 6.039 -2.360 1.00 0.00 C ATOM 1356 CD2 LEU A 84 13.952 4.911 -2.617 1.00 0.00 C ATOM 0 H LEU A 84 12.868 7.057 -6.735 1.00 0.00 H new ATOM 0 HA LEU A 84 14.831 5.875 -5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 84 12.048 6.506 -4.998 1.00 0.00 H new ATOM 0 HB3 LEU A 84 12.177 4.780 -4.722 1.00 0.00 H new ATOM 0 HG LEU A 84 13.521 6.947 -3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 84 11.970 6.224 -1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 84 11.103 6.844 -2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 84 11.205 5.090 -2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.157 5.112 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 84 13.480 3.933 -2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 84 14.887 4.920 -3.177 1.00 0.00 H new ATOM 1368 N VAL A 85 15.289 3.801 -6.324 1.00 0.00 N ATOM 1369 CA VAL A 85 15.546 2.479 -6.884 1.00 0.00 C ATOM 1370 C VAL A 85 14.497 1.474 -6.423 1.00 0.00 C ATOM 1371 O VAL A 85 14.038 1.518 -5.281 1.00 0.00 O ATOM 1372 CB VAL A 85 16.943 1.964 -6.489 1.00 0.00 C ATOM 1373 CG1 VAL A 85 17.050 0.467 -6.736 1.00 0.00 C ATOM 1374 CG2 VAL A 85 18.023 2.717 -7.250 1.00 0.00 C ATOM 0 H VAL A 85 16.128 4.318 -6.062 1.00 0.00 H new ATOM 0 HA VAL A 85 15.497 2.579 -7.968 1.00 0.00 H new ATOM 0 HB VAL A 85 17.089 2.143 -5.424 1.00 0.00 H new ATOM 0 HG11 VAL A 85 18.044 0.121 -6.451 1.00 0.00 H new ATOM 0 HG12 VAL A 85 16.300 -0.054 -6.141 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.883 0.260 -7.793 1.00 0.00 H new ATOM 0 HG21 VAL A 85 19.003 2.340 -6.959 1.00 0.00 H new ATOM 0 HG22 VAL A 85 17.882 2.572 -8.321 1.00 0.00 H new ATOM 0 HG23 VAL A 85 17.959 3.780 -7.017 1.00 0.00 H new ATOM 1384 N THR A 86 14.120 0.567 -7.319 1.00 0.00 N ATOM 1385 CA THR A 86 13.124 -0.449 -7.006 1.00 0.00 C ATOM 1386 C THR A 86 13.512 -1.800 -7.596 1.00 0.00 C ATOM 1387 O THR A 86 14.215 -1.869 -8.605 1.00 0.00 O ATOM 1388 CB THR A 86 11.731 -0.053 -7.532 1.00 0.00 C ATOM 1389 OG1 THR A 86 11.831 0.401 -8.887 1.00 0.00 O ATOM 1390 CG2 THR A 86 11.118 1.040 -6.670 1.00 0.00 C ATOM 0 H THR A 86 14.490 0.516 -8.268 1.00 0.00 H new ATOM 0 HA THR A 86 13.085 -0.528 -5.920 1.00 0.00 H new ATOM 0 HB THR A 86 11.087 -0.931 -7.489 1.00 0.00 H new ATOM 0 HG1 THR A 86 10.942 0.649 -9.215 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.135 1.303 -7.061 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.017 0.682 -5.645 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.762 1.919 -6.685 1.00 0.00 H new ATOM 1398 N LEU A 87 13.050 -2.872 -6.962 1.00 0.00 N ATOM 1399 CA LEU A 87 13.349 -4.223 -7.425 1.00 0.00 C ATOM 1400 C LEU A 87 12.068 -4.972 -7.781 1.00 0.00 C ATOM 1401 O LEU A 87 12.028 -5.725 -8.753 1.00 0.00 O ATOM 1402 CB LEU A 87 14.122 -4.992 -6.352 1.00 0.00 C ATOM 1403 CG LEU A 87 14.545 -4.187 -5.123 1.00 0.00 C ATOM 1404 CD1 LEU A 87 15.164 -5.099 -4.075 1.00 0.00 C ATOM 1405 CD2 LEU A 87 15.518 -3.085 -5.516 1.00 0.00 C ATOM 0 H LEU A 87 12.467 -2.832 -6.126 1.00 0.00 H new ATOM 0 HA LEU A 87 13.964 -4.146 -8.321 1.00 0.00 H new ATOM 0 HB2 LEU A 87 13.508 -5.829 -6.020 1.00 0.00 H new ATOM 0 HB3 LEU A 87 15.016 -5.415 -6.810 1.00 0.00 H new ATOM 0 HG LEU A 87 13.657 -3.723 -4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.459 -4.509 -3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 87 14.436 -5.851 -3.771 1.00 0.00 H new ATOM 0 HD13 LEU A 87 16.041 -5.592 -4.494 1.00 0.00 H new ATOM 0 HD21 LEU A 87 15.808 -2.522 -4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 87 16.404 -3.527 -5.971 1.00 0.00 H new ATOM 0 HD23 LEU A 87 15.040 -2.415 -6.230 1.00 0.00 H new ATOM 1417 N ALA A 88 11.024 -4.757 -6.987 1.00 0.00 N ATOM 1418 CA ALA A 88 9.741 -5.409 -7.221 1.00 0.00 C ATOM 1419 C ALA A 88 8.812 -4.516 -8.037 1.00 0.00 C ATOM 1420 O ALA A 88 8.659 -3.329 -7.745 1.00 0.00 O ATOM 1421 CB ALA A 88 9.090 -5.782 -5.897 1.00 0.00 C ATOM 0 H ALA A 88 11.041 -4.137 -6.177 1.00 0.00 H new ATOM 0 HA ALA A 88 9.922 -6.319 -7.793 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.133 -6.268 -6.086 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.741 -6.464 -5.351 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.929 -4.881 -5.304 1.00 0.00 H new ATOM 1427 N THR A 89 8.193 -5.093 -9.062 1.00 0.00 N ATOM 1428 CA THR A 89 7.281 -4.349 -9.921 1.00 0.00 C ATOM 1429 C THR A 89 7.793 -2.936 -10.173 1.00 0.00 C ATOM 1430 O THR A 89 8.873 -2.779 -10.740 1.00 0.00 O ATOM 1431 CB THR A 89 5.870 -4.271 -9.308 1.00 0.00 C ATOM 1432 OG1 THR A 89 5.551 -5.503 -8.653 1.00 0.00 O ATOM 1433 CG2 THR A 89 4.830 -3.976 -10.379 1.00 0.00 C ATOM 0 H THR A 89 8.307 -6.074 -9.317 1.00 0.00 H new ATOM 0 HA THR A 89 7.228 -4.887 -10.868 1.00 0.00 H new ATOM 0 HB THR A 89 5.859 -3.460 -8.580 1.00 0.00 H new ATOM 0 HG1 THR A 89 4.653 -5.444 -8.265 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.842 -3.926 -9.922 1.00 0.00 H new ATOM 0 HG22 THR A 89 5.059 -3.023 -10.855 1.00 0.00 H new ATOM 0 HG23 THR A 89 4.844 -4.768 -11.128 1.00 0.00 H new TER 1441 THR A 89 ATOM 1442 N SER B 115 6.247 11.847 20.060 1.00 0.00 N ATOM 1443 CA SER B 115 6.374 13.137 20.729 1.00 0.00 C ATOM 1444 C SER B 115 7.468 13.979 20.080 1.00 0.00 C ATOM 1445 O SER B 115 8.389 14.443 20.752 1.00 0.00 O ATOM 1446 CB SER B 115 6.682 12.937 22.214 1.00 0.00 C ATOM 1447 OG SER B 115 5.541 12.470 22.913 1.00 0.00 O ATOM 0 HA SER B 115 5.426 13.665 20.630 1.00 0.00 H new ATOM 0 HB2 SER B 115 7.498 12.224 22.326 1.00 0.00 H new ATOM 0 HB3 SER B 115 7.019 13.878 22.649 1.00 0.00 H new ATOM 0 HG SER B 115 5.764 12.348 23.859 1.00 0.00 H new ATOM 1453 N GLN B 116 7.358 14.173 18.770 1.00 0.00 N ATOM 1454 CA GLN B 116 8.338 14.959 18.029 1.00 0.00 C ATOM 1455 C GLN B 116 7.888 16.411 17.904 1.00 0.00 C ATOM 1456 O GLN B 116 6.924 16.828 18.543 1.00 0.00 O ATOM 1457 CB GLN B 116 8.560 14.359 16.640 1.00 0.00 C ATOM 1458 CG GLN B 116 8.894 12.876 16.663 1.00 0.00 C ATOM 1459 CD GLN B 116 10.377 12.610 16.495 1.00 0.00 C ATOM 1460 OE1 GLN B 116 10.776 11.668 15.810 1.00 0.00 O ATOM 1461 NE2 GLN B 116 11.203 13.441 17.120 1.00 0.00 N ATOM 0 H GLN B 116 6.600 13.797 18.200 1.00 0.00 H new ATOM 0 HA GLN B 116 9.278 14.935 18.580 1.00 0.00 H new ATOM 0 HB2 GLN B 116 7.663 14.511 16.040 1.00 0.00 H new ATOM 0 HB3 GLN B 116 9.369 14.897 16.146 1.00 0.00 H new ATOM 0 HG2 GLN B 116 8.556 12.446 17.606 1.00 0.00 H new ATOM 0 HG3 GLN B 116 8.346 12.371 15.868 1.00 0.00 H new ATOM 0 HE21 GLN B 116 10.829 14.209 17.677 1.00 0.00 H new ATOM 0 HE22 GLN B 116 12.212 13.311 17.043 1.00 0.00 H new ATOM 1470 N GLU B 117 8.594 17.174 17.076 1.00 0.00 N ATOM 1471 CA GLU B 117 8.267 18.580 16.868 1.00 0.00 C ATOM 1472 C GLU B 117 8.929 19.111 15.600 1.00 0.00 C ATOM 1473 O GLU B 117 8.327 19.875 14.844 1.00 0.00 O ATOM 1474 CB GLU B 117 8.709 19.413 18.073 1.00 0.00 C ATOM 1475 CG GLU B 117 8.084 20.797 18.118 1.00 0.00 C ATOM 1476 CD GLU B 117 8.973 21.858 17.500 1.00 0.00 C ATOM 1477 OE1 GLU B 117 10.048 21.499 16.975 1.00 0.00 O ATOM 1478 OE2 GLU B 117 8.594 23.048 17.540 1.00 0.00 O ATOM 0 H GLU B 117 9.395 16.843 16.539 1.00 0.00 H new ATOM 0 HA GLU B 117 7.186 18.662 16.755 1.00 0.00 H new ATOM 0 HB2 GLU B 117 8.453 18.878 18.987 1.00 0.00 H new ATOM 0 HB3 GLU B 117 9.794 19.514 18.056 1.00 0.00 H new ATOM 0 HG2 GLU B 117 7.129 20.778 17.593 1.00 0.00 H new ATOM 0 HG3 GLU B 117 7.873 21.063 19.154 1.00 0.00 H new ATOM 1485 N THR B 118 10.173 18.701 15.372 1.00 0.00 N ATOM 1486 CA THR B 118 10.918 19.135 14.197 1.00 0.00 C ATOM 1487 C THR B 118 10.416 18.438 12.938 1.00 0.00 C ATOM 1488 O THR B 118 9.258 18.025 12.865 1.00 0.00 O ATOM 1489 CB THR B 118 12.426 18.861 14.355 1.00 0.00 C ATOM 1490 OG1 THR B 118 12.764 18.767 15.743 1.00 0.00 O ATOM 1491 CG2 THR B 118 13.247 19.962 13.701 1.00 0.00 C ATOM 0 H THR B 118 10.686 18.069 15.986 1.00 0.00 H new ATOM 0 HA THR B 118 10.759 20.209 14.102 1.00 0.00 H new ATOM 0 HB THR B 118 12.655 17.917 13.861 1.00 0.00 H new ATOM 0 HG1 THR B 118 13.724 18.591 15.835 1.00 0.00 H new ATOM 0 HG21 THR B 118 14.308 19.747 13.825 1.00 0.00 H new ATOM 0 HG22 THR B 118 13.009 20.011 12.639 1.00 0.00 H new ATOM 0 HG23 THR B 118 13.013 20.918 14.170 1.00 0.00 H new ATOM 1499 N PHE B 119 11.293 18.308 11.949 1.00 0.00 N ATOM 1500 CA PHE B 119 10.938 17.660 10.692 1.00 0.00 C ATOM 1501 C PHE B 119 10.079 16.424 10.941 1.00 0.00 C ATOM 1502 O PHE B 119 9.096 16.186 10.240 1.00 0.00 O ATOM 1503 CB PHE B 119 12.200 17.272 9.919 1.00 0.00 C ATOM 1504 CG PHE B 119 12.059 17.413 8.430 1.00 0.00 C ATOM 1505 CD1 PHE B 119 10.806 17.495 7.845 1.00 0.00 C ATOM 1506 CD2 PHE B 119 13.179 17.462 7.617 1.00 0.00 C ATOM 1507 CE1 PHE B 119 10.673 17.625 6.475 1.00 0.00 C ATOM 1508 CE2 PHE B 119 13.052 17.592 6.246 1.00 0.00 C ATOM 1509 CZ PHE B 119 11.797 17.673 5.675 1.00 0.00 C ATOM 0 H PHE B 119 12.255 18.643 11.993 1.00 0.00 H new ATOM 0 HA PHE B 119 10.360 18.368 10.098 1.00 0.00 H new ATOM 0 HB2 PHE B 119 13.029 17.893 10.258 1.00 0.00 H new ATOM 0 HB3 PHE B 119 12.458 16.240 10.155 1.00 0.00 H new ATOM 0 HD1 PHE B 119 9.923 17.457 8.466 1.00 0.00 H new ATOM 0 HD2 PHE B 119 14.163 17.398 8.058 1.00 0.00 H new ATOM 0 HE1 PHE B 119 9.691 17.689 6.031 1.00 0.00 H new ATOM 0 HE2 PHE B 119 13.933 17.630 5.623 1.00 0.00 H new ATOM 0 HZ PHE B 119 11.695 17.774 4.605 1.00 0.00 H new ATOM 1519 N SER B 120 10.460 15.639 11.944 1.00 0.00 N ATOM 1520 CA SER B 120 9.729 14.424 12.284 1.00 0.00 C ATOM 1521 C SER B 120 8.237 14.710 12.427 1.00 0.00 C ATOM 1522 O SER B 120 7.397 13.911 12.012 1.00 0.00 O ATOM 1523 CB SER B 120 10.271 13.823 13.582 1.00 0.00 C ATOM 1524 OG SER B 120 11.360 12.953 13.325 1.00 0.00 O ATOM 0 H SER B 120 11.271 15.823 12.535 1.00 0.00 H new ATOM 0 HA SER B 120 9.868 13.707 11.475 1.00 0.00 H new ATOM 0 HB2 SER B 120 10.590 14.622 14.251 1.00 0.00 H new ATOM 0 HB3 SER B 120 9.478 13.277 14.093 1.00 0.00 H new ATOM 0 HG SER B 120 11.451 12.316 14.064 1.00 0.00 H new ATOM 1530 N ASP B 121 7.915 15.856 13.018 1.00 0.00 N ATOM 1531 CA ASP B 121 6.525 16.249 13.216 1.00 0.00 C ATOM 1532 C ASP B 121 5.744 16.164 11.909 1.00 0.00 C ATOM 1533 O ASP B 121 4.829 15.352 11.771 1.00 0.00 O ATOM 1534 CB ASP B 121 6.450 17.670 13.778 1.00 0.00 C ATOM 1535 CG ASP B 121 5.033 18.081 14.127 1.00 0.00 C ATOM 1536 OD1 ASP B 121 4.510 17.596 15.152 1.00 0.00 O ATOM 1537 OD2 ASP B 121 4.448 18.888 13.376 1.00 0.00 O ATOM 0 H ASP B 121 8.598 16.528 13.368 1.00 0.00 H new ATOM 0 HA ASP B 121 6.077 15.559 13.931 1.00 0.00 H new ATOM 0 HB2 ASP B 121 7.075 17.739 14.669 1.00 0.00 H new ATOM 0 HB3 ASP B 121 6.858 18.368 13.047 1.00 0.00 H new ATOM 1542 N LEU B 122 6.111 17.009 10.951 1.00 0.00 N ATOM 1543 CA LEU B 122 5.444 17.030 9.653 1.00 0.00 C ATOM 1544 C LEU B 122 5.936 15.889 8.769 1.00 0.00 C ATOM 1545 O LEU B 122 5.141 15.110 8.244 1.00 0.00 O ATOM 1546 CB LEU B 122 5.684 18.370 8.956 1.00 0.00 C ATOM 1547 CG LEU B 122 5.650 19.609 9.853 1.00 0.00 C ATOM 1548 CD1 LEU B 122 6.937 20.405 9.712 1.00 0.00 C ATOM 1549 CD2 LEU B 122 4.444 20.476 9.518 1.00 0.00 C ATOM 0 H LEU B 122 6.866 17.688 11.048 1.00 0.00 H new ATOM 0 HA LEU B 122 4.375 16.900 9.820 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.654 18.331 8.461 1.00 0.00 H new ATOM 0 HB3 LEU B 122 4.933 18.490 8.175 1.00 0.00 H new ATOM 0 HG LEU B 122 5.561 19.282 10.889 1.00 0.00 H new ATOM 0 HD11 LEU B 122 6.895 21.282 10.357 1.00 0.00 H new ATOM 0 HD12 LEU B 122 7.784 19.782 10.001 1.00 0.00 H new ATOM 0 HD13 LEU B 122 7.057 20.722 8.676 1.00 0.00 H new ATOM 0 HD21 LEU B 122 4.435 21.353 10.165 1.00 0.00 H new ATOM 0 HD22 LEU B 122 4.502 20.794 8.477 1.00 0.00 H new ATOM 0 HD23 LEU B 122 3.530 19.903 9.671 1.00 0.00 H new ATOM 1561 N TRP B 123 7.252 15.796 8.611 1.00 0.00 N ATOM 1562 CA TRP B 123 7.850 14.748 7.792 1.00 0.00 C ATOM 1563 C TRP B 123 7.061 13.449 7.907 1.00 0.00 C ATOM 1564 O TRP B 123 6.597 12.901 6.907 1.00 0.00 O ATOM 1565 CB TRP B 123 9.304 14.514 8.208 1.00 0.00 C ATOM 1566 CG TRP B 123 10.088 13.721 7.207 1.00 0.00 C ATOM 1567 CD1 TRP B 123 10.735 12.539 7.424 1.00 0.00 C ATOM 1568 CD2 TRP B 123 10.309 14.056 5.832 1.00 0.00 C ATOM 1569 NE1 TRP B 123 11.346 12.117 6.267 1.00 0.00 N ATOM 1570 CE2 TRP B 123 11.099 13.030 5.276 1.00 0.00 C ATOM 1571 CE3 TRP B 123 9.916 15.120 5.017 1.00 0.00 C ATOM 1572 CZ2 TRP B 123 11.501 13.041 3.943 1.00 0.00 C ATOM 1573 CZ3 TRP B 123 10.317 15.130 3.695 1.00 0.00 C ATOM 1574 CH2 TRP B 123 11.102 14.096 3.168 1.00 0.00 C ATOM 0 H TRP B 123 7.924 16.433 9.039 1.00 0.00 H new ATOM 0 HA TRP B 123 7.824 15.076 6.753 1.00 0.00 H new ATOM 0 HB2 TRP B 123 9.791 15.478 8.359 1.00 0.00 H new ATOM 0 HB3 TRP B 123 9.321 13.995 9.166 1.00 0.00 H new ATOM 0 HD1 TRP B 123 10.763 12.012 8.366 1.00 0.00 H new ATOM 0 HE1 TRP B 123 11.894 11.263 6.163 1.00 0.00 H new ATOM 0 HE3 TRP B 123 9.309 15.921 5.413 1.00 0.00 H new ATOM 0 HZ2 TRP B 123 12.106 12.245 3.535 1.00 0.00 H new ATOM 0 HZ3 TRP B 123 10.020 15.949 3.057 1.00 0.00 H new ATOM 0 HH2 TRP B 123 11.398 14.132 2.130 1.00 0.00 H new ATOM 1585 N LYS B 124 6.911 12.960 9.134 1.00 0.00 N ATOM 1586 CA LYS B 124 6.175 11.725 9.381 1.00 0.00 C ATOM 1587 C LYS B 124 4.849 11.721 8.627 1.00 0.00 C ATOM 1588 O LYS B 124 4.462 10.712 8.036 1.00 0.00 O ATOM 1589 CB LYS B 124 5.923 11.549 10.880 1.00 0.00 C ATOM 1590 CG LYS B 124 5.384 10.178 11.249 1.00 0.00 C ATOM 1591 CD LYS B 124 5.135 10.060 12.744 1.00 0.00 C ATOM 1592 CE LYS B 124 6.440 10.004 13.523 1.00 0.00 C ATOM 1593 NZ LYS B 124 6.222 9.616 14.944 1.00 0.00 N ATOM 0 H LYS B 124 7.289 13.400 9.973 1.00 0.00 H new ATOM 0 HA LYS B 124 6.779 10.893 9.020 1.00 0.00 H new ATOM 0 HB2 LYS B 124 6.855 11.721 11.419 1.00 0.00 H new ATOM 0 HB3 LYS B 124 5.217 12.310 11.213 1.00 0.00 H new ATOM 0 HG2 LYS B 124 4.455 9.994 10.709 1.00 0.00 H new ATOM 0 HG3 LYS B 124 6.092 9.411 10.936 1.00 0.00 H new ATOM 0 HD2 LYS B 124 4.543 10.910 13.084 1.00 0.00 H new ATOM 0 HD3 LYS B 124 4.550 9.163 12.947 1.00 0.00 H new ATOM 0 HE2 LYS B 124 7.114 9.289 13.051 1.00 0.00 H new ATOM 0 HE3 LYS B 124 6.929 10.978 13.483 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 7.135 9.589 15.441 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 5.599 10.311 15.402 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 5.779 8.676 14.983 1.00 0.00 H new ATOM 1607 N LEU B 125 4.157 12.855 8.651 1.00 0.00 N ATOM 1608 CA LEU B 125 2.875 12.983 7.968 1.00 0.00 C ATOM 1609 C LEU B 125 2.917 12.311 6.599 1.00 0.00 C ATOM 1610 O LEU B 125 2.018 11.548 6.242 1.00 0.00 O ATOM 1611 CB LEU B 125 2.502 14.458 7.813 1.00 0.00 C ATOM 1612 CG LEU B 125 1.036 14.750 7.489 1.00 0.00 C ATOM 1613 CD1 LEU B 125 0.175 14.603 8.733 1.00 0.00 C ATOM 1614 CD2 LEU B 125 0.888 16.144 6.897 1.00 0.00 C ATOM 0 H LEU B 125 4.462 13.699 9.136 1.00 0.00 H new ATOM 0 HA LEU B 125 2.118 12.485 8.574 1.00 0.00 H new ATOM 0 HB2 LEU B 125 2.759 14.976 8.737 1.00 0.00 H new ATOM 0 HB3 LEU B 125 3.120 14.887 7.024 1.00 0.00 H new ATOM 0 HG LEU B 125 0.696 14.025 6.749 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -0.865 14.815 8.483 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.257 13.585 9.114 1.00 0.00 H new ATOM 0 HD13 LEU B 125 0.515 15.304 9.496 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -0.162 16.334 6.673 1.00 0.00 H new ATOM 0 HD22 LEU B 125 1.246 16.883 7.613 1.00 0.00 H new ATOM 0 HD23 LEU B 125 1.473 16.214 5.980 1.00 0.00 H new ATOM 1626 N LEU B 126 3.967 12.597 5.838 1.00 0.00 N ATOM 1627 CA LEU B 126 4.129 12.019 4.508 1.00 0.00 C ATOM 1628 C LEU B 126 3.759 10.539 4.510 1.00 0.00 C ATOM 1629 O LEU B 126 4.525 9.683 4.951 1.00 0.00 O ATOM 1630 CB LEU B 126 5.569 12.196 4.025 1.00 0.00 C ATOM 1631 CG LEU B 126 5.743 12.891 2.674 1.00 0.00 C ATOM 1632 CD1 LEU B 126 4.798 14.076 2.558 1.00 0.00 C ATOM 1633 CD2 LEU B 126 7.186 13.336 2.486 1.00 0.00 C ATOM 0 H LEU B 126 4.719 13.226 6.119 1.00 0.00 H new ATOM 0 HA LEU B 126 3.458 12.542 3.827 1.00 0.00 H new ATOM 0 HB2 LEU B 126 6.116 12.765 4.777 1.00 0.00 H new ATOM 0 HB3 LEU B 126 6.035 11.212 3.968 1.00 0.00 H new ATOM 0 HG LEU B 126 5.498 12.179 1.886 1.00 0.00 H new ATOM 0 HD11 LEU B 126 4.936 14.558 1.590 1.00 0.00 H new ATOM 0 HD12 LEU B 126 3.768 13.730 2.648 1.00 0.00 H new ATOM 0 HD13 LEU B 126 5.011 14.791 3.353 1.00 0.00 H new ATOM 0 HD21 LEU B 126 7.292 13.829 1.519 1.00 0.00 H new ATOM 0 HD22 LEU B 126 7.459 14.032 3.280 1.00 0.00 H new ATOM 0 HD23 LEU B 126 7.843 12.467 2.524 1.00 0.00 H new ATOM 1645 N PRO B 127 2.557 10.229 4.001 1.00 0.00 N ATOM 1646 CA PRO B 127 2.059 8.852 3.930 1.00 0.00 C ATOM 1647 C PRO B 127 2.817 8.014 2.906 1.00 0.00 C ATOM 1648 O PRO B 127 2.390 7.884 1.760 1.00 0.00 O ATOM 1649 CB PRO B 127 0.599 9.024 3.504 1.00 0.00 C ATOM 1650 CG PRO B 127 0.565 10.328 2.785 1.00 0.00 C ATOM 1651 CD PRO B 127 1.591 11.199 3.457 1.00 0.00 C ATOM 0 HA PRO B 127 2.182 8.325 4.876 1.00 0.00 H new ATOM 0 HB2 PRO B 127 0.276 8.207 2.858 1.00 0.00 H new ATOM 0 HB3 PRO B 127 -0.067 9.030 4.367 1.00 0.00 H new ATOM 0 HG2 PRO B 127 0.797 10.197 1.728 1.00 0.00 H new ATOM 0 HG3 PRO B 127 -0.426 10.779 2.841 1.00 0.00 H new ATOM 0 HD2 PRO B 127 2.062 11.883 2.751 1.00 0.00 H new ATOM 0 HD3 PRO B 127 1.147 11.809 4.244 1.00 0.00 H new ATOM 1659 N GLU B 128 3.943 7.447 3.329 1.00 0.00 N ATOM 1660 CA GLU B 128 4.760 6.622 2.447 1.00 0.00 C ATOM 1661 C GLU B 128 3.896 5.624 1.682 1.00 0.00 C ATOM 1662 O GLU B 128 4.269 5.163 0.604 1.00 0.00 O ATOM 1663 CB GLU B 128 5.826 5.877 3.253 1.00 0.00 C ATOM 1664 CG GLU B 128 6.385 6.682 4.414 1.00 0.00 C ATOM 1665 CD GLU B 128 5.652 6.415 5.714 1.00 0.00 C ATOM 1666 OE1 GLU B 128 5.482 5.230 6.068 1.00 0.00 O ATOM 1667 OE2 GLU B 128 5.248 7.393 6.378 1.00 0.00 O ATOM 0 H GLU B 128 4.310 7.544 4.276 1.00 0.00 H new ATOM 0 HA GLU B 128 5.250 7.278 1.728 1.00 0.00 H new ATOM 0 HB2 GLU B 128 5.398 4.951 3.637 1.00 0.00 H new ATOM 0 HB3 GLU B 128 6.644 5.599 2.588 1.00 0.00 H new ATOM 0 HG2 GLU B 128 7.441 6.444 4.541 1.00 0.00 H new ATOM 0 HG3 GLU B 128 6.323 7.744 4.178 1.00 0.00 H new ATOM 1674 N ASN B 129 2.739 5.294 2.248 1.00 0.00 N ATOM 1675 CA ASN B 129 1.822 4.350 1.620 1.00 0.00 C ATOM 1676 C ASN B 129 2.248 2.912 1.897 1.00 0.00 C ATOM 1677 O ASN B 129 1.441 2.088 2.328 1.00 0.00 O ATOM 1678 CB ASN B 129 1.761 4.594 0.111 1.00 0.00 C ATOM 1679 CG ASN B 129 0.344 4.537 -0.427 1.00 0.00 C ATOM 1680 OD1 ASN B 129 -0.420 3.629 -0.099 1.00 0.00 O ATOM 1681 ND2 ASN B 129 -0.013 5.509 -1.259 1.00 0.00 N ATOM 0 H ASN B 129 2.415 5.667 3.140 1.00 0.00 H new ATOM 0 HA ASN B 129 0.831 4.505 2.047 1.00 0.00 H new ATOM 0 HB2 ASN B 129 2.193 5.569 -0.114 1.00 0.00 H new ATOM 0 HB3 ASN B 129 2.371 3.849 -0.400 1.00 0.00 H new ATOM 0 HD21 ASN B 129 -0.953 5.523 -1.654 1.00 0.00 H new ATOM 0 HD22 ASN B 129 0.653 6.242 -1.503 1.00 0.00 H new TER 1688 ASN B 129