USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 666 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 104 LYS NZ :NH3+ 164:sc= 0.323 (180deg=0) USER MOD Set 1.2: A 105 ASN : amide:sc= 0.101 K(o=0.42,f=-3.8!) USER MOD Set 2.1: A 73 MET CE :methyl -172:sc= -0.0173 (180deg=-0.136) USER MOD Set 2.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 59 TYR OH : rot 61:sc= 0.0686 USER MOD Set 3.2: A 63 LYS NZ :NH3+ -154:sc= 1.03 (180deg=0.62) USER MOD Single : A 26 GLN : amide:sc= -0.513 X(o=-0.51,f=-0.52) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0.523 K(o=0.52,f=-2.8!) USER MOD Single : A 43 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.19) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -84:sc= 0.831 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -176:sc= -0.565 (180deg=-0.582) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 1.22 K(o=1.2,f=-0.52) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0763 X(o=-0.076,f=-0.011) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -2.62! C(o=-2.6!,f=-3.8!) USER MOD Single : A 69 GLN : amide:sc= 0.957 K(o=0.96,f=0) USER MOD Single : A 71 GLN : amide:sc= 1.14 K(o=1.1,f=-0.091) USER MOD Single : A 72 HIS : no HD1:sc= 1.07 K(o=1.1,f=-4.4!) USER MOD Single : A 76 CYS SG : rot 180:sc= -0.3 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.29 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot -55:sc= 0.00592 USER MOD Single : A 101 MET CE :methyl 178:sc= -0.883 (180deg=-0.941) USER MOD ----------------------------------------------------------------- ATOM 51 N GLN A 26 9.613 8.842 8.460 1.00 0.00 N ATOM 52 CA GLN A 26 10.010 8.276 7.164 1.00 0.00 C ATOM 53 C GLN A 26 11.473 8.636 6.809 1.00 0.00 C ATOM 54 O GLN A 26 12.187 9.224 7.621 1.00 0.00 O ATOM 55 CB GLN A 26 8.980 8.611 6.076 1.00 0.00 C ATOM 56 CG GLN A 26 8.763 7.385 5.168 1.00 0.00 C ATOM 57 CD GLN A 26 8.114 6.202 5.899 1.00 0.00 C ATOM 58 OE1 GLN A 26 7.004 6.271 6.409 1.00 0.00 O ATOM 59 NE2 GLN A 26 8.796 5.080 6.000 1.00 0.00 N ATOM 0 HA GLN A 26 10.005 7.188 7.236 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.036 8.907 6.534 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.326 9.458 5.483 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.135 7.672 4.324 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.723 7.069 4.758 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.723 5.007 5.580 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.398 4.284 6.498 1.00 0.00 H new ATOM 68 N VAL A 27 11.957 8.199 5.642 1.00 0.00 N ATOM 69 CA VAL A 27 13.375 8.252 5.232 1.00 0.00 C ATOM 70 C VAL A 27 13.698 9.354 4.217 1.00 0.00 C ATOM 71 O VAL A 27 12.803 9.855 3.533 1.00 0.00 O ATOM 72 CB VAL A 27 13.793 6.850 4.740 1.00 0.00 C ATOM 73 CG1 VAL A 27 13.246 6.508 3.349 1.00 0.00 C ATOM 74 CG2 VAL A 27 15.308 6.614 4.750 1.00 0.00 C ATOM 0 H VAL A 27 11.357 7.784 4.929 1.00 0.00 H new ATOM 0 HA VAL A 27 13.968 8.531 6.103 1.00 0.00 H new ATOM 0 HB VAL A 27 13.340 6.182 5.472 1.00 0.00 H new ATOM 0 HG11 VAL A 27 13.577 5.509 3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 27 12.157 6.537 3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.615 7.234 2.624 1.00 0.00 H new ATOM 0 HG21 VAL A 27 15.522 5.607 4.391 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.794 7.342 4.100 1.00 0.00 H new ATOM 0 HG23 VAL A 27 15.687 6.725 5.766 1.00 0.00 H new ATOM 84 N ARG A 28 14.986 9.719 4.104 1.00 0.00 N ATOM 85 CA ARG A 28 15.505 10.626 3.076 1.00 0.00 C ATOM 86 C ARG A 28 16.096 9.899 1.849 1.00 0.00 C ATOM 87 O ARG A 28 16.774 8.883 2.025 1.00 0.00 O ATOM 88 CB ARG A 28 16.469 11.648 3.706 1.00 0.00 C ATOM 89 CG ARG A 28 17.875 11.167 4.090 1.00 0.00 C ATOM 90 CD ARG A 28 18.679 12.362 4.624 1.00 0.00 C ATOM 91 NE ARG A 28 20.056 11.982 4.989 1.00 0.00 N ATOM 92 CZ ARG A 28 21.026 12.807 5.343 1.00 0.00 C ATOM 93 NH1 ARG A 28 20.864 14.099 5.411 1.00 0.00 N ATOM 94 NH2 ARG A 28 22.206 12.340 5.643 1.00 0.00 N ATOM 0 H ARG A 28 15.708 9.382 4.741 1.00 0.00 H new ATOM 0 HA ARG A 28 14.658 11.177 2.668 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.579 12.478 3.008 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.995 12.046 4.603 1.00 0.00 H new ATOM 0 HG2 ARG A 28 17.813 10.386 4.847 1.00 0.00 H new ATOM 0 HG3 ARG A 28 18.375 10.733 3.224 1.00 0.00 H new ATOM 0 HD2 ARG A 28 18.708 13.147 3.868 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.174 12.778 5.496 1.00 0.00 H new ATOM 0 HE ARG A 28 20.282 10.988 4.966 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.959 14.512 5.186 1.00 0.00 H new ATOM 0 HH12 ARG A 28 21.642 14.697 5.689 1.00 0.00 H new ATOM 0 HH21 ARG A 28 22.382 11.336 5.605 1.00 0.00 H new ATOM 0 HH22 ARG A 28 22.953 12.979 5.916 1.00 0.00 H new ATOM 108 N PRO A 29 15.880 10.405 0.616 1.00 0.00 N ATOM 109 CA PRO A 29 16.567 9.939 -0.592 1.00 0.00 C ATOM 110 C PRO A 29 18.082 10.207 -0.550 1.00 0.00 C ATOM 111 O PRO A 29 18.568 10.982 0.278 1.00 0.00 O ATOM 112 CB PRO A 29 15.936 10.714 -1.760 1.00 0.00 C ATOM 113 CG PRO A 29 14.647 11.321 -1.210 1.00 0.00 C ATOM 114 CD PRO A 29 14.920 11.442 0.282 1.00 0.00 C ATOM 0 HA PRO A 29 16.453 8.860 -0.691 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.610 11.490 -2.123 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.729 10.053 -2.601 1.00 0.00 H new ATOM 0 HG2 PRO A 29 14.437 12.291 -1.660 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.786 10.684 -1.410 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.316 12.428 0.524 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.001 11.318 0.855 1.00 0.00 H new ATOM 122 N LYS A 30 18.824 9.626 -1.505 1.00 0.00 N ATOM 123 CA LYS A 30 20.241 9.972 -1.732 1.00 0.00 C ATOM 124 C LYS A 30 20.351 11.417 -2.239 1.00 0.00 C ATOM 125 O LYS A 30 19.425 11.929 -2.865 1.00 0.00 O ATOM 126 CB LYS A 30 20.897 8.949 -2.685 1.00 0.00 C ATOM 127 CG LYS A 30 22.406 8.802 -2.418 1.00 0.00 C ATOM 128 CD LYS A 30 23.124 7.929 -3.456 1.00 0.00 C ATOM 129 CE LYS A 30 24.613 7.809 -3.091 1.00 0.00 C ATOM 130 NZ LYS A 30 25.358 6.952 -4.055 1.00 0.00 N ATOM 0 H LYS A 30 18.466 8.910 -2.137 1.00 0.00 H new ATOM 0 HA LYS A 30 20.790 9.919 -0.792 1.00 0.00 H new ATOM 0 HB2 LYS A 30 20.411 7.980 -2.568 1.00 0.00 H new ATOM 0 HB3 LYS A 30 20.740 9.262 -3.717 1.00 0.00 H new ATOM 0 HG2 LYS A 30 22.864 9.791 -2.406 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.552 8.371 -1.427 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.668 6.940 -3.492 1.00 0.00 H new ATOM 0 HD3 LYS A 30 23.017 8.365 -4.449 1.00 0.00 H new ATOM 0 HE2 LYS A 30 25.061 8.802 -3.068 1.00 0.00 H new ATOM 0 HE3 LYS A 30 24.708 7.393 -2.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 26.357 6.898 -3.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 24.947 5.996 -4.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 25.290 7.362 -5.008 1.00 0.00 H new ATOM 144 N LEU A 31 21.495 12.058 -2.021 1.00 0.00 N ATOM 145 CA LEU A 31 21.737 13.488 -2.292 1.00 0.00 C ATOM 146 C LEU A 31 21.362 13.959 -3.716 1.00 0.00 C ATOM 147 O LEU A 31 20.624 14.941 -3.807 1.00 0.00 O ATOM 148 CB LEU A 31 23.195 13.854 -1.936 1.00 0.00 C ATOM 149 CG LEU A 31 23.583 13.684 -0.452 1.00 0.00 C ATOM 150 CD1 LEU A 31 25.047 14.077 -0.259 1.00 0.00 C ATOM 151 CD2 LEU A 31 22.731 14.540 0.490 1.00 0.00 C ATOM 0 H LEU A 31 22.314 11.587 -1.637 1.00 0.00 H new ATOM 0 HA LEU A 31 21.051 14.034 -1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.863 13.239 -2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.370 14.891 -2.222 1.00 0.00 H new ATOM 0 HG LEU A 31 23.413 12.637 -0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 31 25.321 13.957 0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 31 25.680 13.438 -0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 31 25.186 15.117 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 31 23.051 14.377 1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 31 22.852 15.593 0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 31 21.683 14.260 0.388 1.00 0.00 H new ATOM 163 N PRO A 32 21.750 13.282 -4.824 1.00 0.00 N ATOM 164 CA PRO A 32 21.320 13.672 -6.178 1.00 0.00 C ATOM 165 C PRO A 32 19.815 13.611 -6.402 1.00 0.00 C ATOM 166 O PRO A 32 19.278 14.369 -7.209 1.00 0.00 O ATOM 167 CB PRO A 32 22.067 12.748 -7.147 1.00 0.00 C ATOM 168 CG PRO A 32 22.445 11.543 -6.289 1.00 0.00 C ATOM 169 CD PRO A 32 22.693 12.171 -4.922 1.00 0.00 C ATOM 0 HA PRO A 32 21.562 14.722 -6.340 1.00 0.00 H new ATOM 0 HB2 PRO A 32 21.437 12.458 -7.988 1.00 0.00 H new ATOM 0 HB3 PRO A 32 22.949 13.235 -7.563 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.646 10.803 -6.256 1.00 0.00 H new ATOM 0 HG3 PRO A 32 23.332 11.037 -6.669 1.00 0.00 H new ATOM 0 HD2 PRO A 32 22.531 11.448 -4.123 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.721 12.521 -4.832 1.00 0.00 H new ATOM 177 N LEU A 33 19.126 12.748 -5.659 1.00 0.00 N ATOM 178 CA LEU A 33 17.686 12.585 -5.761 1.00 0.00 C ATOM 179 C LEU A 33 16.949 13.612 -4.901 1.00 0.00 C ATOM 180 O LEU A 33 16.094 14.331 -5.408 1.00 0.00 O ATOM 181 CB LEU A 33 17.385 11.110 -5.454 1.00 0.00 C ATOM 182 CG LEU A 33 16.136 10.636 -6.188 1.00 0.00 C ATOM 183 CD1 LEU A 33 16.077 9.121 -6.229 1.00 0.00 C ATOM 184 CD2 LEU A 33 14.825 11.122 -5.566 1.00 0.00 C ATOM 0 H LEU A 33 19.559 12.139 -4.965 1.00 0.00 H new ATOM 0 HA LEU A 33 17.309 12.797 -6.762 1.00 0.00 H new ATOM 0 HB2 LEU A 33 18.236 10.495 -5.745 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.250 10.980 -4.380 1.00 0.00 H new ATOM 0 HG LEU A 33 16.224 11.065 -7.186 1.00 0.00 H new ATOM 0 HD11 LEU A 33 15.177 8.806 -6.758 1.00 0.00 H new ATOM 0 HD12 LEU A 33 16.956 8.737 -6.747 1.00 0.00 H new ATOM 0 HD13 LEU A 33 16.056 8.730 -5.212 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.984 10.742 -6.146 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.752 10.759 -4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.804 12.212 -5.567 1.00 0.00 H new ATOM 196 N LEU A 34 17.359 13.789 -3.644 1.00 0.00 N ATOM 197 CA LEU A 34 16.861 14.853 -2.760 1.00 0.00 C ATOM 198 C LEU A 34 17.045 16.249 -3.386 1.00 0.00 C ATOM 199 O LEU A 34 16.184 17.108 -3.207 1.00 0.00 O ATOM 200 CB LEU A 34 17.601 14.708 -1.416 1.00 0.00 C ATOM 201 CG LEU A 34 17.211 15.715 -0.317 1.00 0.00 C ATOM 202 CD1 LEU A 34 15.730 15.631 0.053 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.034 15.419 0.937 1.00 0.00 C ATOM 0 H LEU A 34 18.056 13.190 -3.202 1.00 0.00 H new ATOM 0 HA LEU A 34 15.787 14.752 -2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.428 13.701 -1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.671 14.800 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 34 17.408 16.715 -0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.507 16.361 0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.123 15.842 -0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.503 14.630 0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.767 16.126 1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 34 17.828 14.404 1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.095 15.516 0.707 1.00 0.00 H new ATOM 215 N LYS A 35 18.089 16.454 -4.207 1.00 0.00 N ATOM 216 CA LYS A 35 18.283 17.667 -5.015 1.00 0.00 C ATOM 217 C LYS A 35 17.080 18.015 -5.893 1.00 0.00 C ATOM 218 O LYS A 35 16.737 19.185 -5.983 1.00 0.00 O ATOM 219 CB LYS A 35 19.551 17.524 -5.886 1.00 0.00 C ATOM 220 CG LYS A 35 20.317 18.851 -5.980 1.00 0.00 C ATOM 221 CD LYS A 35 21.091 19.158 -4.681 1.00 0.00 C ATOM 222 CE LYS A 35 22.402 18.365 -4.522 1.00 0.00 C ATOM 223 NZ LYS A 35 23.481 18.856 -5.428 1.00 0.00 N ATOM 0 H LYS A 35 18.834 15.768 -4.329 1.00 0.00 H new ATOM 0 HA LYS A 35 18.400 18.492 -4.312 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.200 16.756 -5.464 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.272 17.191 -6.886 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.014 18.810 -6.817 1.00 0.00 H new ATOM 0 HG3 LYS A 35 19.617 19.661 -6.187 1.00 0.00 H new ATOM 0 HD2 LYS A 35 21.319 20.224 -4.651 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.446 18.945 -3.829 1.00 0.00 H new ATOM 0 HE2 LYS A 35 22.741 18.433 -3.488 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.212 17.311 -4.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 24.341 18.290 -5.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.171 18.767 -6.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.684 19.854 -5.217 1.00 0.00 H new ATOM 237 N ILE A 36 16.398 17.028 -6.480 1.00 0.00 N ATOM 238 CA ILE A 36 15.178 17.232 -7.286 1.00 0.00 C ATOM 239 C ILE A 36 14.048 17.794 -6.409 1.00 0.00 C ATOM 240 O ILE A 36 13.416 18.793 -6.742 1.00 0.00 O ATOM 241 CB ILE A 36 14.725 15.905 -7.923 1.00 0.00 C ATOM 242 CG1 ILE A 36 15.845 15.244 -8.742 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.466 16.116 -8.775 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.536 16.136 -9.771 1.00 0.00 C ATOM 0 H ILE A 36 16.677 16.049 -6.412 1.00 0.00 H new ATOM 0 HA ILE A 36 15.407 17.946 -8.077 1.00 0.00 H new ATOM 0 HB ILE A 36 14.481 15.220 -7.111 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.600 14.868 -8.051 1.00 0.00 H new ATOM 0 HG13 ILE A 36 15.428 14.380 -9.260 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.162 15.167 -9.216 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.661 16.498 -8.147 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.679 16.833 -9.568 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.307 15.565 -10.288 1.00 0.00 H new ATOM 0 HD12 ILE A 36 15.803 16.493 -10.494 1.00 0.00 H new ATOM 0 HD13 ILE A 36 16.992 16.988 -9.266 1.00 0.00 H new ATOM 256 N LEU A 37 13.818 17.157 -5.257 1.00 0.00 N ATOM 257 CA LEU A 37 12.752 17.501 -4.311 1.00 0.00 C ATOM 258 C LEU A 37 12.975 18.914 -3.751 1.00 0.00 C ATOM 259 O LEU A 37 12.052 19.721 -3.679 1.00 0.00 O ATOM 260 CB LEU A 37 12.732 16.455 -3.175 1.00 0.00 C ATOM 261 CG LEU A 37 12.151 15.066 -3.496 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.809 14.300 -4.639 1.00 0.00 C ATOM 263 CD2 LEU A 37 12.280 14.210 -2.245 1.00 0.00 C ATOM 0 H LEU A 37 14.384 16.366 -4.948 1.00 0.00 H new ATOM 0 HA LEU A 37 11.789 17.492 -4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.755 16.319 -2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.164 16.873 -2.343 1.00 0.00 H new ATOM 0 HG LEU A 37 11.127 15.252 -3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.311 13.339 -4.767 1.00 0.00 H new ATOM 0 HD12 LEU A 37 12.725 14.877 -5.560 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.862 14.136 -4.408 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.876 13.217 -2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.331 14.126 -1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.726 14.673 -1.429 1.00 0.00 H new ATOM 275 N HIS A 38 14.223 19.243 -3.413 1.00 0.00 N ATOM 276 CA HIS A 38 14.627 20.562 -2.916 1.00 0.00 C ATOM 277 C HIS A 38 14.597 21.630 -4.015 1.00 0.00 C ATOM 278 O HIS A 38 14.072 22.715 -3.770 1.00 0.00 O ATOM 279 CB HIS A 38 15.992 20.424 -2.224 1.00 0.00 C ATOM 280 CG HIS A 38 15.906 19.851 -0.820 1.00 0.00 C ATOM 281 ND1 HIS A 38 16.909 19.934 0.153 1.00 0.00 N ATOM 282 CD2 HIS A 38 14.811 19.253 -0.260 1.00 0.00 C ATOM 283 CE1 HIS A 38 16.390 19.388 1.270 1.00 0.00 C ATOM 284 NE2 HIS A 38 15.128 18.978 1.051 1.00 0.00 N ATOM 0 H HIS A 38 15.000 18.585 -3.478 1.00 0.00 H new ATOM 0 HA HIS A 38 13.906 20.918 -2.180 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.634 19.785 -2.830 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.468 21.403 -2.179 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.875 19.037 -0.753 1.00 0.00 H new ATOM 0 HE1 HIS A 38 16.914 19.293 2.210 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.513 18.540 1.737 1.00 0.00 H new ATOM 292 N ALA A 39 15.000 21.300 -5.248 1.00 0.00 N ATOM 293 CA ALA A 39 14.857 22.157 -6.428 1.00 0.00 C ATOM 294 C ALA A 39 13.387 22.514 -6.708 1.00 0.00 C ATOM 295 O ALA A 39 13.101 23.582 -7.254 1.00 0.00 O ATOM 296 CB ALA A 39 15.510 21.457 -7.629 1.00 0.00 C ATOM 0 H ALA A 39 15.446 20.407 -5.456 1.00 0.00 H new ATOM 0 HA ALA A 39 15.364 23.104 -6.242 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.410 22.085 -8.514 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.567 21.288 -7.421 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.017 20.501 -7.805 1.00 0.00 H new ATOM 302 N ALA A 40 12.456 21.655 -6.277 1.00 0.00 N ATOM 303 CA ALA A 40 11.029 21.934 -6.300 1.00 0.00 C ATOM 304 C ALA A 40 10.510 22.720 -5.077 1.00 0.00 C ATOM 305 O ALA A 40 9.455 23.347 -5.181 1.00 0.00 O ATOM 306 CB ALA A 40 10.282 20.608 -6.447 1.00 0.00 C ATOM 0 H ALA A 40 12.684 20.736 -5.898 1.00 0.00 H new ATOM 0 HA ALA A 40 10.842 22.590 -7.150 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.208 20.795 -6.466 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.582 20.122 -7.375 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.522 19.960 -5.604 1.00 0.00 H new ATOM 312 N GLY A 41 11.199 22.673 -3.928 1.00 0.00 N ATOM 313 CA GLY A 41 10.729 23.204 -2.640 1.00 0.00 C ATOM 314 C GLY A 41 9.940 22.176 -1.815 1.00 0.00 C ATOM 315 O GLY A 41 8.711 22.245 -1.736 1.00 0.00 O ATOM 0 H GLY A 41 12.126 22.252 -3.867 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.587 23.545 -2.060 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.100 24.075 -2.821 1.00 0.00 H new ATOM 319 N ALA A 42 10.648 21.219 -1.201 1.00 0.00 N ATOM 320 CA ALA A 42 10.077 20.200 -0.309 1.00 0.00 C ATOM 321 C ALA A 42 9.835 20.712 1.128 1.00 0.00 C ATOM 322 O ALA A 42 10.305 21.786 1.512 1.00 0.00 O ATOM 323 CB ALA A 42 10.976 18.960 -0.330 1.00 0.00 C ATOM 0 H ALA A 42 11.658 21.129 -1.313 1.00 0.00 H new ATOM 0 HA ALA A 42 9.087 19.940 -0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.560 18.198 0.329 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.033 18.569 -1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.975 19.229 0.012 1.00 0.00 H new ATOM 329 N GLN A 43 9.129 19.912 1.940 1.00 0.00 N ATOM 330 CA GLN A 43 8.741 20.242 3.324 1.00 0.00 C ATOM 331 C GLN A 43 9.629 19.553 4.388 1.00 0.00 C ATOM 332 O GLN A 43 9.195 19.279 5.509 1.00 0.00 O ATOM 333 CB GLN A 43 7.226 19.992 3.482 1.00 0.00 C ATOM 334 CG GLN A 43 6.550 20.801 4.604 1.00 0.00 C ATOM 335 CD GLN A 43 6.603 22.312 4.371 1.00 0.00 C ATOM 336 OE1 GLN A 43 7.418 23.030 4.938 1.00 0.00 O ATOM 337 NE2 GLN A 43 5.751 22.857 3.526 1.00 0.00 N ATOM 0 H GLN A 43 8.802 18.992 1.646 1.00 0.00 H new ATOM 0 HA GLN A 43 8.925 21.300 3.513 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.733 20.225 2.538 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.065 18.931 3.671 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.509 20.489 4.692 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.033 20.569 5.553 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.066 22.274 3.045 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.777 23.862 3.353 1.00 0.00 H new ATOM 346 N GLY A 44 10.880 19.245 4.028 1.00 0.00 N ATOM 347 CA GLY A 44 11.855 18.554 4.884 1.00 0.00 C ATOM 348 C GLY A 44 12.869 17.709 4.108 1.00 0.00 C ATOM 349 O GLY A 44 13.119 17.932 2.922 1.00 0.00 O ATOM 0 H GLY A 44 11.254 19.475 3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.392 19.294 5.478 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.320 17.911 5.583 1.00 0.00 H new ATOM 353 N GLU A 45 13.440 16.717 4.794 1.00 0.00 N ATOM 354 CA GLU A 45 14.274 15.655 4.205 1.00 0.00 C ATOM 355 C GLU A 45 13.627 14.261 4.284 1.00 0.00 C ATOM 356 O GLU A 45 14.025 13.377 3.535 1.00 0.00 O ATOM 357 CB GLU A 45 15.644 15.610 4.902 1.00 0.00 C ATOM 358 CG GLU A 45 16.517 16.839 4.629 1.00 0.00 C ATOM 359 CD GLU A 45 17.898 16.691 5.302 1.00 0.00 C ATOM 360 OE1 GLU A 45 18.644 15.731 4.981 1.00 0.00 O ATOM 361 OE2 GLU A 45 18.252 17.538 6.160 1.00 0.00 O ATOM 0 H GLU A 45 13.335 16.623 5.804 1.00 0.00 H new ATOM 0 HA GLU A 45 14.386 15.905 3.150 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.491 15.516 5.977 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.178 14.717 4.576 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.643 16.969 3.554 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.020 17.734 5.002 1.00 0.00 H new ATOM 368 N MET A 46 12.653 14.039 5.176 1.00 0.00 N ATOM 369 CA MET A 46 12.027 12.726 5.416 1.00 0.00 C ATOM 370 C MET A 46 10.624 12.631 4.795 1.00 0.00 C ATOM 371 O MET A 46 9.750 13.432 5.126 1.00 0.00 O ATOM 372 CB MET A 46 12.013 12.367 6.904 1.00 0.00 C ATOM 373 CG MET A 46 11.501 13.464 7.811 1.00 0.00 C ATOM 374 SD MET A 46 11.175 12.856 9.483 1.00 0.00 S ATOM 375 CE MET A 46 11.454 14.403 10.365 1.00 0.00 C ATOM 0 H MET A 46 12.269 14.779 5.764 1.00 0.00 H new ATOM 0 HA MET A 46 12.647 11.985 4.911 1.00 0.00 H new ATOM 0 HB2 MET A 46 11.396 11.480 7.045 1.00 0.00 H new ATOM 0 HB3 MET A 46 13.025 12.103 7.210 1.00 0.00 H new ATOM 0 HG2 MET A 46 12.232 14.271 7.854 1.00 0.00 H new ATOM 0 HG3 MET A 46 10.587 13.884 7.392 1.00 0.00 H new ATOM 0 HE1 MET A 46 11.302 14.246 11.433 1.00 0.00 H new ATOM 0 HE2 MET A 46 12.475 14.742 10.190 1.00 0.00 H new ATOM 0 HE3 MET A 46 10.754 15.158 10.006 1.00 0.00 H new ATOM 385 N PHE A 47 10.391 11.647 3.917 1.00 0.00 N ATOM 386 CA PHE A 47 9.086 11.437 3.262 1.00 0.00 C ATOM 387 C PHE A 47 8.891 10.006 2.724 1.00 0.00 C ATOM 388 O PHE A 47 9.847 9.267 2.485 1.00 0.00 O ATOM 389 CB PHE A 47 8.853 12.460 2.126 1.00 0.00 C ATOM 390 CG PHE A 47 9.984 13.422 1.820 1.00 0.00 C ATOM 391 CD1 PHE A 47 11.239 12.923 1.429 1.00 0.00 C ATOM 392 CD2 PHE A 47 9.797 14.808 1.972 1.00 0.00 C ATOM 393 CE1 PHE A 47 12.282 13.814 1.151 1.00 0.00 C ATOM 394 CE2 PHE A 47 10.842 15.700 1.675 1.00 0.00 C ATOM 395 CZ PHE A 47 12.084 15.201 1.248 1.00 0.00 C ATOM 0 H PHE A 47 11.102 10.971 3.638 1.00 0.00 H new ATOM 0 HA PHE A 47 8.343 11.589 4.045 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.623 11.907 1.215 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.968 13.046 2.375 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.397 11.858 1.344 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.847 15.188 2.318 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.249 13.431 0.859 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.691 16.765 1.775 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.884 15.882 0.995 1.00 0.00 H new ATOM 405 N THR A 48 7.631 9.623 2.515 1.00 0.00 N ATOM 406 CA THR A 48 7.197 8.377 1.841 1.00 0.00 C ATOM 407 C THR A 48 7.277 8.481 0.315 1.00 0.00 C ATOM 408 O THR A 48 7.356 9.578 -0.223 1.00 0.00 O ATOM 409 CB THR A 48 5.752 8.024 2.239 1.00 0.00 C ATOM 410 OG1 THR A 48 4.911 9.126 2.037 1.00 0.00 O ATOM 411 CG2 THR A 48 5.600 7.581 3.686 1.00 0.00 C ATOM 0 H THR A 48 6.842 10.192 2.821 1.00 0.00 H new ATOM 0 HA THR A 48 7.881 7.593 2.167 1.00 0.00 H new ATOM 0 HB THR A 48 5.476 7.183 1.602 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.961 9.722 2.813 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.554 7.350 3.888 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.208 6.693 3.860 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.929 8.382 4.348 1.00 0.00 H new ATOM 419 N VAL A 49 7.171 7.350 -0.400 1.00 0.00 N ATOM 420 CA VAL A 49 7.145 7.230 -1.877 1.00 0.00 C ATOM 421 C VAL A 49 6.106 8.194 -2.473 1.00 0.00 C ATOM 422 O VAL A 49 6.384 8.944 -3.414 1.00 0.00 O ATOM 423 CB VAL A 49 6.851 5.772 -2.294 1.00 0.00 C ATOM 424 CG1 VAL A 49 6.675 5.607 -3.810 1.00 0.00 C ATOM 425 CG2 VAL A 49 8.008 4.854 -1.873 1.00 0.00 C ATOM 0 H VAL A 49 7.097 6.441 0.057 1.00 0.00 H new ATOM 0 HA VAL A 49 8.125 7.503 -2.269 1.00 0.00 H new ATOM 0 HB VAL A 49 5.919 5.504 -1.796 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.471 4.561 -4.041 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.842 6.223 -4.149 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.587 5.919 -4.318 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.787 3.830 -2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.928 5.183 -2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.131 4.897 -0.791 1.00 0.00 H new ATOM 435 N LYS A 50 4.923 8.226 -1.844 1.00 0.00 N ATOM 436 CA LYS A 50 3.768 9.007 -2.270 1.00 0.00 C ATOM 437 C LYS A 50 3.939 10.516 -2.042 1.00 0.00 C ATOM 438 O LYS A 50 3.436 11.321 -2.824 1.00 0.00 O ATOM 439 CB LYS A 50 2.545 8.374 -1.592 1.00 0.00 C ATOM 440 CG LYS A 50 2.402 8.693 -0.099 1.00 0.00 C ATOM 441 CD LYS A 50 1.230 7.949 0.550 1.00 0.00 C ATOM 442 CE LYS A 50 1.150 8.323 2.037 1.00 0.00 C ATOM 443 NZ LYS A 50 0.044 7.603 2.726 1.00 0.00 N ATOM 0 H LYS A 50 4.744 7.688 -0.996 1.00 0.00 H new ATOM 0 HA LYS A 50 3.637 8.965 -3.351 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.646 8.710 -2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.598 7.292 -1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.326 8.429 0.416 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.262 9.766 0.028 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.298 8.208 0.048 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.363 6.873 0.441 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.097 8.087 2.523 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.001 9.398 2.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.020 7.880 3.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.862 7.848 2.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.200 6.577 2.654 1.00 0.00 H new ATOM 457 N GLU A 51 4.702 10.902 -1.016 1.00 0.00 N ATOM 458 CA GLU A 51 5.128 12.286 -0.778 1.00 0.00 C ATOM 459 C GLU A 51 6.284 12.695 -1.706 1.00 0.00 C ATOM 460 O GLU A 51 6.211 13.753 -2.329 1.00 0.00 O ATOM 461 CB GLU A 51 5.540 12.457 0.690 1.00 0.00 C ATOM 462 CG GLU A 51 4.355 12.347 1.657 1.00 0.00 C ATOM 463 CD GLU A 51 4.846 12.288 3.116 1.00 0.00 C ATOM 464 OE1 GLU A 51 5.516 11.289 3.481 1.00 0.00 O ATOM 465 OE2 GLU A 51 4.547 13.224 3.898 1.00 0.00 O ATOM 0 H GLU A 51 5.048 10.249 -0.313 1.00 0.00 H new ATOM 0 HA GLU A 51 4.284 12.940 -0.999 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.282 11.700 0.945 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.018 13.428 0.818 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.692 13.202 1.526 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.774 11.454 1.427 1.00 0.00 H new ATOM 472 N VAL A 52 7.323 11.860 -1.869 1.00 0.00 N ATOM 473 CA VAL A 52 8.480 12.192 -2.714 1.00 0.00 C ATOM 474 C VAL A 52 8.089 12.417 -4.169 1.00 0.00 C ATOM 475 O VAL A 52 8.482 13.414 -4.775 1.00 0.00 O ATOM 476 CB VAL A 52 9.629 11.176 -2.640 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.314 11.196 -1.275 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.328 9.739 -3.008 1.00 0.00 C ATOM 0 H VAL A 52 7.384 10.945 -1.423 1.00 0.00 H new ATOM 0 HA VAL A 52 8.853 13.126 -2.294 1.00 0.00 H new ATOM 0 HB VAL A 52 10.285 11.537 -3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.121 10.464 -1.262 1.00 0.00 H new ATOM 0 HG12 VAL A 52 10.722 12.189 -1.087 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.588 10.950 -0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.234 9.141 -2.908 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.559 9.347 -2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.975 9.694 -4.038 1.00 0.00 H new ATOM 488 N MET A 53 7.267 11.520 -4.712 1.00 0.00 N ATOM 489 CA MET A 53 6.756 11.661 -6.081 1.00 0.00 C ATOM 490 C MET A 53 5.889 12.919 -6.294 1.00 0.00 C ATOM 491 O MET A 53 5.886 13.462 -7.395 1.00 0.00 O ATOM 492 CB MET A 53 6.060 10.375 -6.552 1.00 0.00 C ATOM 493 CG MET A 53 4.656 10.185 -5.963 1.00 0.00 C ATOM 494 SD MET A 53 3.858 8.604 -6.356 1.00 0.00 S ATOM 495 CE MET A 53 3.807 8.703 -8.166 1.00 0.00 C ATOM 0 H MET A 53 6.938 10.685 -4.226 1.00 0.00 H new ATOM 0 HA MET A 53 7.627 11.815 -6.718 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.990 10.387 -7.640 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.677 9.518 -6.282 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.718 10.282 -4.879 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.018 10.994 -6.319 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.279 7.836 -8.563 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.287 9.613 -8.466 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.824 8.720 -8.558 1.00 0.00 H new ATOM 505 N HIS A 54 5.219 13.456 -5.264 1.00 0.00 N ATOM 506 CA HIS A 54 4.446 14.705 -5.389 1.00 0.00 C ATOM 507 C HIS A 54 5.345 15.910 -5.703 1.00 0.00 C ATOM 508 O HIS A 54 4.991 16.755 -6.528 1.00 0.00 O ATOM 509 CB HIS A 54 3.631 14.953 -4.113 1.00 0.00 C ATOM 510 CG HIS A 54 2.700 16.135 -4.235 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.461 16.130 -4.884 1.00 0.00 N ATOM 512 CD2 HIS A 54 2.948 17.392 -3.764 1.00 0.00 C ATOM 513 CE1 HIS A 54 0.991 17.387 -4.786 1.00 0.00 C ATOM 514 NE2 HIS A 54 1.863 18.164 -4.118 1.00 0.00 N ATOM 0 H HIS A 54 5.196 13.045 -4.331 1.00 0.00 H new ATOM 0 HA HIS A 54 3.763 14.588 -6.230 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.050 14.061 -3.879 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.312 15.117 -3.278 1.00 0.00 H new ATOM 0 HD2 HIS A 54 3.823 17.717 -3.221 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.047 17.725 -5.187 1.00 0.00 H new ATOM 0 HE2 HIS A 54 1.742 19.155 -3.909 1.00 0.00 H new ATOM 522 N TYR A 55 6.551 15.950 -5.125 1.00 0.00 N ATOM 523 CA TYR A 55 7.552 16.967 -5.461 1.00 0.00 C ATOM 524 C TYR A 55 8.057 16.847 -6.905 1.00 0.00 C ATOM 525 O TYR A 55 8.428 17.864 -7.478 1.00 0.00 O ATOM 526 CB TYR A 55 8.722 16.957 -4.469 1.00 0.00 C ATOM 527 CG TYR A 55 8.311 17.096 -3.016 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.618 18.240 -2.578 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.582 16.058 -2.110 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.130 18.313 -1.258 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.111 16.130 -0.787 1.00 0.00 C ATOM 532 CZ TYR A 55 7.373 17.252 -0.358 1.00 0.00 C ATOM 533 OH TYR A 55 6.911 17.310 0.922 1.00 0.00 O ATOM 0 H TYR A 55 6.858 15.284 -4.417 1.00 0.00 H new ATOM 0 HA TYR A 55 7.046 17.929 -5.380 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.277 16.027 -4.590 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.403 17.770 -4.721 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.460 19.065 -3.256 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.155 15.200 -2.431 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.571 19.179 -0.935 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.315 15.324 -0.098 1.00 0.00 H new ATOM 0 HH TYR A 55 7.169 16.494 1.400 1.00 0.00 H new ATOM 543 N LEU A 56 8.031 15.661 -7.532 1.00 0.00 N ATOM 544 CA LEU A 56 8.298 15.534 -8.976 1.00 0.00 C ATOM 545 C LEU A 56 7.207 16.239 -9.787 1.00 0.00 C ATOM 546 O LEU A 56 7.519 17.043 -10.660 1.00 0.00 O ATOM 547 CB LEU A 56 8.374 14.065 -9.427 1.00 0.00 C ATOM 548 CG LEU A 56 9.302 13.151 -8.625 1.00 0.00 C ATOM 549 CD1 LEU A 56 9.117 11.715 -9.108 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.767 13.552 -8.755 1.00 0.00 C ATOM 0 H LEU A 56 7.828 14.777 -7.065 1.00 0.00 H new ATOM 0 HA LEU A 56 9.266 16.002 -9.156 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.369 13.645 -9.392 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.692 14.044 -10.469 1.00 0.00 H new ATOM 0 HG LEU A 56 9.037 13.242 -7.572 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.774 11.054 -8.543 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.081 11.411 -8.958 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.364 11.653 -10.168 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.384 12.872 -8.167 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.067 13.501 -9.802 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.899 14.570 -8.389 1.00 0.00 H new ATOM 562 N GLY A 57 5.933 16.000 -9.460 1.00 0.00 N ATOM 563 CA GLY A 57 4.804 16.668 -10.111 1.00 0.00 C ATOM 564 C GLY A 57 4.903 18.192 -10.019 1.00 0.00 C ATOM 565 O GLY A 57 4.852 18.883 -11.040 1.00 0.00 O ATOM 0 H GLY A 57 5.656 15.337 -8.736 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.763 16.371 -11.159 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.873 16.338 -9.650 1.00 0.00 H new ATOM 569 N GLN A 58 5.190 18.721 -8.822 1.00 0.00 N ATOM 570 CA GLN A 58 5.389 20.163 -8.643 1.00 0.00 C ATOM 571 C GLN A 58 6.678 20.672 -9.310 1.00 0.00 C ATOM 572 O GLN A 58 6.666 21.781 -9.837 1.00 0.00 O ATOM 573 CB GLN A 58 5.262 20.567 -7.161 1.00 0.00 C ATOM 574 CG GLN A 58 6.598 20.780 -6.428 1.00 0.00 C ATOM 575 CD GLN A 58 6.419 21.034 -4.927 1.00 0.00 C ATOM 576 OE1 GLN A 58 5.522 20.522 -4.271 1.00 0.00 O ATOM 577 NE2 GLN A 58 7.293 21.799 -4.313 1.00 0.00 N ATOM 0 H GLN A 58 5.289 18.173 -7.967 1.00 0.00 H new ATOM 0 HA GLN A 58 4.582 20.671 -9.171 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.680 21.487 -7.099 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.696 19.796 -6.637 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.229 19.903 -6.571 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.121 21.625 -6.875 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.049 22.235 -4.841 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.216 21.956 -3.308 1.00 0.00 H new ATOM 586 N TYR A 59 7.766 19.882 -9.341 1.00 0.00 N ATOM 587 CA TYR A 59 9.004 20.229 -10.043 1.00 0.00 C ATOM 588 C TYR A 59 8.700 20.424 -11.529 1.00 0.00 C ATOM 589 O TYR A 59 9.011 21.462 -12.095 1.00 0.00 O ATOM 590 CB TYR A 59 10.065 19.125 -9.864 1.00 0.00 C ATOM 591 CG TYR A 59 11.388 19.318 -10.589 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.479 19.016 -11.962 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.546 19.698 -9.882 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.723 19.046 -12.620 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.798 19.696 -10.531 1.00 0.00 C ATOM 596 CZ TYR A 59 13.894 19.345 -11.894 1.00 0.00 C ATOM 597 OH TYR A 59 15.113 19.286 -12.501 1.00 0.00 O ATOM 0 H TYR A 59 7.806 18.977 -8.873 1.00 0.00 H new ATOM 0 HA TYR A 59 9.402 21.152 -9.622 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.273 19.024 -8.799 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.632 18.181 -10.195 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.587 18.759 -12.514 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.475 19.990 -8.845 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.780 18.840 -13.679 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.688 19.965 -9.982 1.00 0.00 H new ATOM 0 HH TYR A 59 15.141 19.927 -13.242 1.00 0.00 H new ATOM 607 N ILE A 60 8.028 19.460 -12.162 1.00 0.00 N ATOM 608 CA ILE A 60 7.676 19.513 -13.587 1.00 0.00 C ATOM 609 C ILE A 60 6.753 20.708 -13.861 1.00 0.00 C ATOM 610 O ILE A 60 6.962 21.434 -14.831 1.00 0.00 O ATOM 611 CB ILE A 60 7.025 18.177 -14.002 1.00 0.00 C ATOM 612 CG1 ILE A 60 7.976 16.972 -13.821 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.560 18.227 -15.464 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.179 15.689 -13.566 1.00 0.00 C ATOM 0 H ILE A 60 7.708 18.610 -11.697 1.00 0.00 H new ATOM 0 HA ILE A 60 8.575 19.654 -14.187 1.00 0.00 H new ATOM 0 HB ILE A 60 6.169 18.038 -13.342 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.593 16.852 -14.711 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.653 17.158 -12.987 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.104 17.274 -15.734 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.829 19.026 -15.586 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.416 18.416 -16.112 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.866 14.852 -13.441 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.581 15.806 -12.662 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.521 15.495 -14.413 1.00 0.00 H new ATOM 626 N MET A 61 5.782 20.957 -12.979 1.00 0.00 N ATOM 627 CA MET A 61 4.872 22.103 -13.052 1.00 0.00 C ATOM 628 C MET A 61 5.639 23.443 -13.019 1.00 0.00 C ATOM 629 O MET A 61 5.487 24.248 -13.939 1.00 0.00 O ATOM 630 CB MET A 61 3.829 21.947 -11.930 1.00 0.00 C ATOM 631 CG MET A 61 2.603 22.857 -12.061 1.00 0.00 C ATOM 632 SD MET A 61 2.885 24.620 -11.732 1.00 0.00 S ATOM 633 CE MET A 61 2.361 25.304 -13.327 1.00 0.00 C ATOM 0 H MET A 61 5.602 20.354 -12.176 1.00 0.00 H new ATOM 0 HA MET A 61 4.346 22.122 -14.007 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.494 20.910 -11.907 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.312 22.147 -10.974 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.205 22.755 -13.071 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.834 22.498 -11.377 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.466 26.389 -13.310 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.983 24.891 -14.122 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.318 25.044 -13.510 1.00 0.00 H new ATOM 643 N VAL A 62 6.530 23.660 -12.039 1.00 0.00 N ATOM 644 CA VAL A 62 7.312 24.911 -11.912 1.00 0.00 C ATOM 645 C VAL A 62 8.385 25.063 -12.996 1.00 0.00 C ATOM 646 O VAL A 62 8.596 26.161 -13.513 1.00 0.00 O ATOM 647 CB VAL A 62 7.894 25.058 -10.489 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.050 24.117 -10.139 1.00 0.00 C ATOM 649 CG2 VAL A 62 8.417 26.470 -10.247 1.00 0.00 C ATOM 0 H VAL A 62 6.732 22.976 -11.310 1.00 0.00 H new ATOM 0 HA VAL A 62 6.617 25.735 -12.075 1.00 0.00 H new ATOM 0 HB VAL A 62 7.042 24.803 -9.858 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.379 24.309 -9.118 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.716 23.083 -10.225 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.879 24.289 -10.825 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.820 26.541 -9.237 1.00 0.00 H new ATOM 0 HG22 VAL A 62 9.203 26.695 -10.968 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.602 27.185 -10.363 1.00 0.00 H new ATOM 659 N LYS A 63 9.026 23.955 -13.383 1.00 0.00 N ATOM 660 CA LYS A 63 9.994 23.870 -14.491 1.00 0.00 C ATOM 661 C LYS A 63 9.356 23.849 -15.892 1.00 0.00 C ATOM 662 O LYS A 63 10.091 24.013 -16.862 1.00 0.00 O ATOM 663 CB LYS A 63 10.882 22.628 -14.317 1.00 0.00 C ATOM 664 CG LYS A 63 11.785 22.618 -13.079 1.00 0.00 C ATOM 665 CD LYS A 63 12.799 23.766 -13.020 1.00 0.00 C ATOM 666 CE LYS A 63 13.892 23.402 -12.004 1.00 0.00 C ATOM 667 NZ LYS A 63 15.111 22.868 -12.678 1.00 0.00 N ATOM 0 H LYS A 63 8.882 23.058 -12.919 1.00 0.00 H new ATOM 0 HA LYS A 63 10.584 24.785 -14.437 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.240 21.748 -14.281 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.510 22.528 -15.202 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.158 22.658 -12.188 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.325 21.672 -13.047 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.238 23.934 -14.004 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.305 24.693 -12.728 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.155 24.284 -11.420 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.507 22.660 -11.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.625 22.245 -12.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.833 22.328 -13.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.726 23.658 -12.960 1.00 0.00 H new ATOM 681 N GLN A 64 8.034 23.646 -15.999 1.00 0.00 N ATOM 682 CA GLN A 64 7.203 23.385 -17.180 1.00 0.00 C ATOM 683 C GLN A 64 7.878 22.421 -18.159 1.00 0.00 C ATOM 684 O GLN A 64 8.147 22.746 -19.317 1.00 0.00 O ATOM 685 CB GLN A 64 6.571 24.652 -17.776 1.00 0.00 C ATOM 686 CG GLN A 64 7.615 25.707 -18.124 1.00 0.00 C ATOM 687 CD GLN A 64 7.731 26.809 -17.070 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.796 27.550 -16.790 1.00 0.00 O ATOM 689 NE2 GLN A 64 8.875 26.960 -16.438 1.00 0.00 N ATOM 0 H GLN A 64 7.456 23.663 -15.159 1.00 0.00 H new ATOM 0 HA GLN A 64 6.322 22.834 -16.851 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.010 24.389 -18.673 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.858 25.069 -17.065 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.585 25.224 -18.244 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.362 26.156 -19.084 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.664 26.352 -16.659 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.973 27.685 -15.727 1.00 0.00 H new ATOM 698 N LEU A 65 8.144 21.207 -17.661 1.00 0.00 N ATOM 699 CA LEU A 65 8.762 20.127 -18.419 1.00 0.00 C ATOM 700 C LEU A 65 7.664 19.214 -18.971 1.00 0.00 C ATOM 701 O LEU A 65 7.775 18.002 -18.879 1.00 0.00 O ATOM 702 CB LEU A 65 9.841 19.374 -17.598 1.00 0.00 C ATOM 703 CG LEU A 65 10.963 20.235 -17.004 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.958 19.381 -16.228 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.721 21.050 -18.050 1.00 0.00 C ATOM 0 H LEU A 65 7.928 20.949 -16.698 1.00 0.00 H new ATOM 0 HA LEU A 65 9.309 20.545 -19.264 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.345 18.847 -16.783 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.293 18.617 -18.239 1.00 0.00 H new ATOM 0 HG LEU A 65 10.465 20.936 -16.334 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.742 20.018 -15.818 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.443 18.871 -15.414 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.402 18.643 -16.896 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.500 21.635 -17.561 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.176 20.377 -18.777 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.029 21.721 -18.560 1.00 0.00 H new ATOM 717 N TYR A 66 6.564 19.778 -19.469 1.00 0.00 N ATOM 718 CA TYR A 66 5.480 19.034 -20.120 1.00 0.00 C ATOM 719 C TYR A 66 5.071 19.658 -21.467 1.00 0.00 C ATOM 720 O TYR A 66 5.305 20.846 -21.706 1.00 0.00 O ATOM 721 CB TYR A 66 4.272 18.865 -19.187 1.00 0.00 C ATOM 722 CG TYR A 66 3.697 20.175 -18.690 1.00 0.00 C ATOM 723 CD1 TYR A 66 4.278 20.782 -17.566 1.00 0.00 C ATOM 724 CD2 TYR A 66 2.646 20.815 -19.375 1.00 0.00 C ATOM 725 CE1 TYR A 66 3.823 22.040 -17.123 1.00 0.00 C ATOM 726 CE2 TYR A 66 2.235 22.101 -18.978 1.00 0.00 C ATOM 727 CZ TYR A 66 2.813 22.714 -17.846 1.00 0.00 C ATOM 728 OH TYR A 66 2.396 23.955 -17.468 1.00 0.00 O ATOM 0 H TYR A 66 6.396 20.783 -19.432 1.00 0.00 H new ATOM 0 HA TYR A 66 5.868 18.039 -20.339 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.493 18.313 -19.713 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.568 18.260 -18.330 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.077 20.283 -17.038 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.157 20.321 -20.202 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.244 22.487 -16.235 1.00 0.00 H new ATOM 0 HE2 TYR A 66 1.474 22.621 -19.542 1.00 0.00 H new ATOM 0 HH TYR A 66 1.697 24.266 -18.080 1.00 0.00 H new ATOM 738 N ASP A 67 4.462 18.871 -22.361 1.00 0.00 N ATOM 739 CA ASP A 67 4.063 19.351 -23.693 1.00 0.00 C ATOM 740 C ASP A 67 2.754 20.147 -23.672 1.00 0.00 C ATOM 741 O ASP A 67 1.752 19.692 -23.126 1.00 0.00 O ATOM 742 CB ASP A 67 3.893 18.192 -24.675 1.00 0.00 C ATOM 743 CG ASP A 67 4.010 18.683 -26.130 1.00 0.00 C ATOM 744 OD1 ASP A 67 3.063 19.338 -26.625 1.00 0.00 O ATOM 745 OD2 ASP A 67 5.059 18.441 -26.773 1.00 0.00 O ATOM 0 H ASP A 67 4.233 17.893 -22.186 1.00 0.00 H new ATOM 0 HA ASP A 67 4.871 20.008 -24.015 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.650 17.432 -24.481 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.922 17.721 -24.523 1.00 0.00 H new ATOM 750 N GLN A 68 2.732 21.278 -24.375 1.00 0.00 N ATOM 751 CA GLN A 68 1.571 22.141 -24.635 1.00 0.00 C ATOM 752 C GLN A 68 0.318 21.353 -25.069 1.00 0.00 C ATOM 753 O GLN A 68 -0.797 21.594 -24.604 1.00 0.00 O ATOM 754 CB GLN A 68 1.880 23.106 -25.804 1.00 0.00 C ATOM 755 CG GLN A 68 3.290 23.695 -25.911 1.00 0.00 C ATOM 756 CD GLN A 68 4.379 22.704 -26.311 1.00 0.00 C ATOM 757 OE1 GLN A 68 5.228 22.321 -25.519 1.00 0.00 O ATOM 758 NE2 GLN A 68 4.352 22.193 -27.518 1.00 0.00 N ATOM 0 H GLN A 68 3.579 21.644 -24.809 1.00 0.00 H new ATOM 0 HA GLN A 68 1.377 22.659 -23.696 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.670 22.578 -26.734 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.177 23.937 -25.743 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.274 24.506 -26.639 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.557 24.135 -24.950 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.649 22.504 -28.188 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.034 21.484 -27.787 1.00 0.00 H new ATOM 767 N GLN A 69 0.536 20.421 -25.998 1.00 0.00 N ATOM 768 CA GLN A 69 -0.487 19.624 -26.688 1.00 0.00 C ATOM 769 C GLN A 69 -0.877 18.342 -25.927 1.00 0.00 C ATOM 770 O GLN A 69 -1.999 17.852 -26.072 1.00 0.00 O ATOM 771 CB GLN A 69 0.039 19.268 -28.089 1.00 0.00 C ATOM 772 CG GLN A 69 0.300 20.504 -28.973 1.00 0.00 C ATOM 773 CD GLN A 69 1.531 20.364 -29.867 1.00 0.00 C ATOM 774 OE1 GLN A 69 1.464 20.466 -31.087 1.00 0.00 O ATOM 775 NE2 GLN A 69 2.708 20.176 -29.305 1.00 0.00 N ATOM 0 H GLN A 69 1.479 20.187 -26.308 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.394 20.225 -26.749 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.963 18.699 -27.989 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.682 18.619 -28.587 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.574 20.685 -29.598 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.422 21.379 -28.334 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.781 20.089 -28.291 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.546 20.117 -29.884 1.00 0.00 H new ATOM 784 N GLU A 70 0.028 17.809 -25.100 1.00 0.00 N ATOM 785 CA GLU A 70 -0.179 16.632 -24.244 1.00 0.00 C ATOM 786 C GLU A 70 0.392 16.892 -22.843 1.00 0.00 C ATOM 787 O GLU A 70 1.517 16.520 -22.517 1.00 0.00 O ATOM 788 CB GLU A 70 0.432 15.368 -24.876 1.00 0.00 C ATOM 789 CG GLU A 70 -0.415 14.814 -26.028 1.00 0.00 C ATOM 790 CD GLU A 70 -0.046 13.346 -26.317 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.514 12.450 -25.570 1.00 0.00 O ATOM 792 OE2 GLU A 70 0.697 13.079 -27.293 1.00 0.00 O ATOM 0 H GLU A 70 0.965 18.201 -25.003 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.251 16.456 -24.150 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.432 15.598 -25.244 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.542 14.601 -24.110 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.473 14.885 -25.775 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.260 15.416 -26.923 1.00 0.00 H new ATOM 799 N GLN A 71 -0.403 17.549 -21.998 1.00 0.00 N ATOM 800 CA GLN A 71 0.021 18.062 -20.688 1.00 0.00 C ATOM 801 C GLN A 71 0.481 16.973 -19.697 1.00 0.00 C ATOM 802 O GLN A 71 1.250 17.247 -18.776 1.00 0.00 O ATOM 803 CB GLN A 71 -1.168 18.813 -20.088 1.00 0.00 C ATOM 804 CG GLN A 71 -1.660 20.040 -20.873 1.00 0.00 C ATOM 805 CD GLN A 71 -0.773 21.275 -20.807 1.00 0.00 C ATOM 806 OE1 GLN A 71 -1.028 22.211 -20.060 1.00 0.00 O ATOM 807 NE2 GLN A 71 0.273 21.361 -21.596 1.00 0.00 N ATOM 0 H GLN A 71 -1.382 17.745 -22.207 1.00 0.00 H new ATOM 0 HA GLN A 71 0.890 18.700 -20.850 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.999 18.115 -19.987 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.898 19.135 -19.082 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.775 19.755 -21.919 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.650 20.308 -20.505 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.502 20.592 -22.225 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.857 22.197 -21.580 1.00 0.00 H new ATOM 816 N HIS A 72 0.016 15.736 -19.882 1.00 0.00 N ATOM 817 CA HIS A 72 0.416 14.539 -19.132 1.00 0.00 C ATOM 818 C HIS A 72 1.746 13.921 -19.610 1.00 0.00 C ATOM 819 O HIS A 72 2.344 13.127 -18.885 1.00 0.00 O ATOM 820 CB HIS A 72 -0.720 13.509 -19.247 1.00 0.00 C ATOM 821 CG HIS A 72 -1.200 13.341 -20.663 1.00 0.00 C ATOM 822 ND1 HIS A 72 -2.133 14.164 -21.292 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.620 12.533 -21.592 1.00 0.00 C ATOM 824 CE1 HIS A 72 -2.098 13.838 -22.591 1.00 0.00 C ATOM 825 NE2 HIS A 72 -1.207 12.851 -22.802 1.00 0.00 N ATOM 0 H HIS A 72 -0.685 15.529 -20.594 1.00 0.00 H new ATOM 0 HA HIS A 72 0.588 14.834 -18.097 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.375 12.548 -18.867 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.554 13.820 -18.618 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.146 11.792 -21.418 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.699 14.301 -23.360 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -1.001 12.413 -23.700 1.00 0.00 H new ATOM 833 N MET A 73 2.218 14.271 -20.810 1.00 0.00 N ATOM 834 CA MET A 73 3.532 13.876 -21.327 1.00 0.00 C ATOM 835 C MET A 73 4.606 14.830 -20.801 1.00 0.00 C ATOM 836 O MET A 73 4.580 16.036 -21.060 1.00 0.00 O ATOM 837 CB MET A 73 3.567 13.846 -22.863 1.00 0.00 C ATOM 838 CG MET A 73 2.710 12.738 -23.483 1.00 0.00 C ATOM 839 SD MET A 73 3.147 11.031 -23.041 1.00 0.00 S ATOM 840 CE MET A 73 4.877 10.939 -23.587 1.00 0.00 C ATOM 0 H MET A 73 1.687 14.848 -21.462 1.00 0.00 H new ATOM 0 HA MET A 73 3.731 12.863 -20.976 1.00 0.00 H new ATOM 0 HB2 MET A 73 3.228 14.810 -23.243 1.00 0.00 H new ATOM 0 HB3 MET A 73 4.599 13.720 -23.191 1.00 0.00 H new ATOM 0 HG2 MET A 73 1.672 12.909 -23.197 1.00 0.00 H new ATOM 0 HG3 MET A 73 2.762 12.833 -24.568 1.00 0.00 H new ATOM 0 HE1 MET A 73 5.229 9.910 -23.509 1.00 0.00 H new ATOM 0 HE2 MET A 73 4.950 11.270 -24.623 1.00 0.00 H new ATOM 0 HE3 MET A 73 5.492 11.582 -22.957 1.00 0.00 H new ATOM 850 N VAL A 74 5.565 14.268 -20.072 1.00 0.00 N ATOM 851 CA VAL A 74 6.676 14.979 -19.432 1.00 0.00 C ATOM 852 C VAL A 74 7.919 14.871 -20.333 1.00 0.00 C ATOM 853 O VAL A 74 8.198 13.808 -20.890 1.00 0.00 O ATOM 854 CB VAL A 74 6.940 14.372 -18.038 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.029 15.153 -17.304 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.679 14.373 -17.160 1.00 0.00 C ATOM 0 H VAL A 74 5.594 13.263 -19.902 1.00 0.00 H new ATOM 0 HA VAL A 74 6.431 16.033 -19.300 1.00 0.00 H new ATOM 0 HB VAL A 74 7.257 13.343 -18.207 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.198 14.707 -16.324 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.953 15.120 -17.882 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.714 16.189 -17.182 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.912 13.937 -16.189 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.331 15.397 -17.024 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.898 13.786 -17.644 1.00 0.00 H new ATOM 866 N TYR A 75 8.672 15.964 -20.457 1.00 0.00 N ATOM 867 CA TYR A 75 9.838 16.163 -21.320 1.00 0.00 C ATOM 868 C TYR A 75 10.982 16.843 -20.536 1.00 0.00 C ATOM 869 O TYR A 75 11.170 18.059 -20.591 1.00 0.00 O ATOM 870 CB TYR A 75 9.408 16.961 -22.561 1.00 0.00 C ATOM 871 CG TYR A 75 8.688 16.082 -23.560 1.00 0.00 C ATOM 872 CD1 TYR A 75 9.438 15.138 -24.285 1.00 0.00 C ATOM 873 CD2 TYR A 75 7.289 16.142 -23.710 1.00 0.00 C ATOM 874 CE1 TYR A 75 8.792 14.240 -25.150 1.00 0.00 C ATOM 875 CE2 TYR A 75 6.642 15.257 -24.597 1.00 0.00 C ATOM 876 CZ TYR A 75 7.392 14.299 -25.317 1.00 0.00 C ATOM 877 OH TYR A 75 6.778 13.429 -26.167 1.00 0.00 O ATOM 0 H TYR A 75 8.466 16.801 -19.912 1.00 0.00 H new ATOM 0 HA TYR A 75 10.229 15.203 -21.657 1.00 0.00 H new ATOM 0 HB2 TYR A 75 8.757 17.782 -22.260 1.00 0.00 H new ATOM 0 HB3 TYR A 75 10.285 17.406 -23.031 1.00 0.00 H new ATOM 0 HD1 TYR A 75 10.512 15.104 -24.176 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.714 16.863 -23.148 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.368 13.502 -25.689 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.571 15.311 -24.727 1.00 0.00 H new ATOM 0 HH TYR A 75 5.813 13.599 -26.168 1.00 0.00 H new ATOM 887 N CYS A 76 11.744 16.041 -19.786 1.00 0.00 N ATOM 888 CA CYS A 76 12.832 16.452 -18.890 1.00 0.00 C ATOM 889 C CYS A 76 14.231 16.548 -19.524 1.00 0.00 C ATOM 890 O CYS A 76 15.207 16.763 -18.802 1.00 0.00 O ATOM 891 CB CYS A 76 12.838 15.546 -17.648 1.00 0.00 C ATOM 892 SG CYS A 76 11.357 15.838 -16.641 1.00 0.00 S ATOM 0 H CYS A 76 11.611 15.030 -19.787 1.00 0.00 H new ATOM 0 HA CYS A 76 12.612 17.484 -18.616 1.00 0.00 H new ATOM 0 HB2 CYS A 76 12.877 14.500 -17.954 1.00 0.00 H new ATOM 0 HB3 CYS A 76 13.732 15.738 -17.055 1.00 0.00 H new ATOM 0 HG CYS A 76 11.381 15.061 -15.599 1.00 0.00 H new ATOM 898 N GLY A 77 14.362 16.391 -20.845 1.00 0.00 N ATOM 899 CA GLY A 77 15.656 16.469 -21.535 1.00 0.00 C ATOM 900 C GLY A 77 16.404 17.780 -21.238 1.00 0.00 C ATOM 901 O GLY A 77 15.894 18.870 -21.512 1.00 0.00 O ATOM 0 H GLY A 77 13.575 16.206 -21.467 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.276 15.625 -21.234 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.497 16.381 -22.610 1.00 0.00 H new ATOM 905 N GLY A 78 17.605 17.668 -20.661 1.00 0.00 N ATOM 906 CA GLY A 78 18.454 18.796 -20.252 1.00 0.00 C ATOM 907 C GLY A 78 18.270 19.293 -18.806 1.00 0.00 C ATOM 908 O GLY A 78 19.041 20.155 -18.374 1.00 0.00 O ATOM 0 H GLY A 78 18.028 16.762 -20.459 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.496 18.507 -20.385 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.266 19.630 -20.928 1.00 0.00 H new ATOM 912 N ASP A 79 17.312 18.762 -18.034 1.00 0.00 N ATOM 913 CA ASP A 79 17.134 19.055 -16.603 1.00 0.00 C ATOM 914 C ASP A 79 17.678 17.926 -15.706 1.00 0.00 C ATOM 915 O ASP A 79 17.805 16.775 -16.137 1.00 0.00 O ATOM 916 CB ASP A 79 15.653 19.355 -16.312 1.00 0.00 C ATOM 917 CG ASP A 79 15.406 20.868 -16.161 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.362 21.586 -17.188 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.284 21.349 -15.008 1.00 0.00 O ATOM 0 H ASP A 79 16.623 18.102 -18.394 1.00 0.00 H new ATOM 0 HA ASP A 79 17.721 19.941 -16.361 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.035 18.963 -17.120 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.349 18.842 -15.400 1.00 0.00 H new ATOM 924 N LEU A 80 17.971 18.240 -14.434 1.00 0.00 N ATOM 925 CA LEU A 80 18.557 17.283 -13.480 1.00 0.00 C ATOM 926 C LEU A 80 17.668 16.049 -13.306 1.00 0.00 C ATOM 927 O LEU A 80 18.163 14.924 -13.351 1.00 0.00 O ATOM 928 CB LEU A 80 18.774 17.963 -12.111 1.00 0.00 C ATOM 929 CG LEU A 80 20.065 17.581 -11.354 1.00 0.00 C ATOM 930 CD1 LEU A 80 20.253 16.084 -11.109 1.00 0.00 C ATOM 931 CD2 LEU A 80 21.309 18.118 -12.061 1.00 0.00 C ATOM 0 H LEU A 80 17.808 19.165 -14.037 1.00 0.00 H new ATOM 0 HA LEU A 80 19.516 16.958 -13.884 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.772 19.043 -12.261 1.00 0.00 H new ATOM 0 HB3 LEU A 80 17.922 17.728 -11.474 1.00 0.00 H new ATOM 0 HG LEU A 80 19.940 18.050 -10.378 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.187 15.918 -10.572 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.421 15.705 -10.516 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.286 15.560 -12.064 1.00 0.00 H new ATOM 0 HD21 LEU A 80 22.199 17.830 -11.501 1.00 0.00 H new ATOM 0 HD22 LEU A 80 21.364 17.702 -13.067 1.00 0.00 H new ATOM 0 HD23 LEU A 80 21.253 19.205 -12.120 1.00 0.00 H new ATOM 943 N LEU A 81 16.349 16.250 -13.166 1.00 0.00 N ATOM 944 CA LEU A 81 15.396 15.142 -13.100 1.00 0.00 C ATOM 945 C LEU A 81 15.508 14.208 -14.325 1.00 0.00 C ATOM 946 O LEU A 81 15.495 12.993 -14.164 1.00 0.00 O ATOM 947 CB LEU A 81 13.974 15.716 -12.918 1.00 0.00 C ATOM 948 CG LEU A 81 12.817 14.696 -12.966 1.00 0.00 C ATOM 949 CD1 LEU A 81 12.981 13.527 -11.992 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.499 15.401 -12.644 1.00 0.00 C ATOM 0 H LEU A 81 15.921 17.173 -13.097 1.00 0.00 H new ATOM 0 HA LEU A 81 15.631 14.516 -12.239 1.00 0.00 H new ATOM 0 HB2 LEU A 81 13.934 16.235 -11.960 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.804 16.463 -13.693 1.00 0.00 H new ATOM 0 HG LEU A 81 12.823 14.284 -13.975 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.129 12.854 -12.085 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.898 12.986 -12.224 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.033 13.908 -10.972 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.683 14.680 -12.678 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.555 15.839 -11.647 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.319 16.188 -13.377 1.00 0.00 H new ATOM 962 N GLY A 82 15.684 14.746 -15.537 1.00 0.00 N ATOM 963 CA GLY A 82 15.885 13.951 -16.759 1.00 0.00 C ATOM 964 C GLY A 82 17.207 13.179 -16.762 1.00 0.00 C ATOM 965 O GLY A 82 17.237 11.985 -17.073 1.00 0.00 O ATOM 0 H GLY A 82 15.691 15.753 -15.701 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.060 13.247 -16.867 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.855 14.613 -17.625 1.00 0.00 H new ATOM 969 N GLU A 83 18.294 13.827 -16.333 1.00 0.00 N ATOM 970 CA GLU A 83 19.611 13.190 -16.206 1.00 0.00 C ATOM 971 C GLU A 83 19.587 12.039 -15.179 1.00 0.00 C ATOM 972 O GLU A 83 20.201 10.993 -15.401 1.00 0.00 O ATOM 973 CB GLU A 83 20.687 14.268 -15.948 1.00 0.00 C ATOM 974 CG GLU A 83 21.497 14.119 -14.653 1.00 0.00 C ATOM 975 CD GLU A 83 22.651 15.140 -14.534 1.00 0.00 C ATOM 976 OE1 GLU A 83 22.601 16.238 -15.142 1.00 0.00 O ATOM 977 OE2 GLU A 83 23.642 14.841 -13.822 1.00 0.00 O ATOM 0 H GLU A 83 18.287 14.811 -16.063 1.00 0.00 H new ATOM 0 HA GLU A 83 19.882 12.705 -17.144 1.00 0.00 H new ATOM 0 HB2 GLU A 83 21.381 14.268 -16.788 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.200 15.243 -15.937 1.00 0.00 H new ATOM 0 HG2 GLU A 83 20.829 14.235 -13.799 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.907 13.110 -14.603 1.00 0.00 H new ATOM 984 N LEU A 84 18.821 12.202 -14.093 1.00 0.00 N ATOM 985 CA LEU A 84 18.647 11.198 -13.043 1.00 0.00 C ATOM 986 C LEU A 84 17.657 10.079 -13.421 1.00 0.00 C ATOM 987 O LEU A 84 17.847 8.929 -13.021 1.00 0.00 O ATOM 988 CB LEU A 84 18.248 11.939 -11.760 1.00 0.00 C ATOM 989 CG LEU A 84 18.239 11.063 -10.499 1.00 0.00 C ATOM 990 CD1 LEU A 84 19.596 10.417 -10.199 1.00 0.00 C ATOM 991 CD2 LEU A 84 17.887 11.953 -9.318 1.00 0.00 C ATOM 0 H LEU A 84 18.293 13.057 -13.919 1.00 0.00 H new ATOM 0 HA LEU A 84 19.587 10.667 -12.891 1.00 0.00 H new ATOM 0 HB2 LEU A 84 18.936 12.770 -11.606 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.256 12.368 -11.897 1.00 0.00 H new ATOM 0 HG LEU A 84 17.519 10.261 -10.664 1.00 0.00 H new ATOM 0 HD11 LEU A 84 19.519 9.812 -9.296 1.00 0.00 H new ATOM 0 HD12 LEU A 84 19.890 9.784 -11.036 1.00 0.00 H new ATOM 0 HD13 LEU A 84 20.345 11.195 -10.052 1.00 0.00 H new ATOM 0 HD21 LEU A 84 17.873 11.357 -8.405 1.00 0.00 H new ATOM 0 HD22 LEU A 84 18.631 12.744 -9.224 1.00 0.00 H new ATOM 0 HD23 LEU A 84 16.904 12.397 -9.477 1.00 0.00 H new ATOM 1003 N LEU A 85 16.630 10.393 -14.220 1.00 0.00 N ATOM 1004 CA LEU A 85 15.738 9.407 -14.847 1.00 0.00 C ATOM 1005 C LEU A 85 16.521 8.514 -15.821 1.00 0.00 C ATOM 1006 O LEU A 85 16.246 7.317 -15.905 1.00 0.00 O ATOM 1007 CB LEU A 85 14.582 10.125 -15.584 1.00 0.00 C ATOM 1008 CG LEU A 85 13.436 10.562 -14.658 1.00 0.00 C ATOM 1009 CD1 LEU A 85 12.606 11.648 -15.332 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.491 9.397 -14.359 1.00 0.00 C ATOM 0 H LEU A 85 16.390 11.356 -14.454 1.00 0.00 H new ATOM 0 HA LEU A 85 15.316 8.775 -14.066 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.978 11.002 -16.096 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.184 9.461 -16.351 1.00 0.00 H new ATOM 0 HG LEU A 85 13.889 10.924 -13.735 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.796 11.951 -14.668 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.239 12.508 -15.549 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.188 11.262 -16.262 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.691 9.737 -13.702 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.063 9.027 -15.291 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.045 8.595 -13.871 1.00 0.00 H new ATOM 1022 N GLY A 86 17.471 9.094 -16.565 1.00 0.00 N ATOM 1023 CA GLY A 86 18.210 8.426 -17.648 1.00 0.00 C ATOM 1024 C GLY A 86 17.457 8.410 -18.989 1.00 0.00 C ATOM 1025 O GLY A 86 17.914 7.795 -19.955 1.00 0.00 O ATOM 0 H GLY A 86 17.755 10.064 -16.429 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.168 8.927 -17.785 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.426 7.400 -17.350 1.00 0.00 H new ATOM 1029 N ARG A 87 16.299 9.084 -19.041 1.00 0.00 N ATOM 1030 CA ARG A 87 15.425 9.278 -20.205 1.00 0.00 C ATOM 1031 C ARG A 87 14.797 10.672 -20.152 1.00 0.00 C ATOM 1032 O ARG A 87 14.397 11.148 -19.091 1.00 0.00 O ATOM 1033 CB ARG A 87 14.383 8.139 -20.343 1.00 0.00 C ATOM 1034 CG ARG A 87 13.430 7.898 -19.154 1.00 0.00 C ATOM 1035 CD ARG A 87 14.039 7.005 -18.062 1.00 0.00 C ATOM 1036 NE ARG A 87 13.822 5.562 -18.294 1.00 0.00 N ATOM 1037 CZ ARG A 87 14.233 4.587 -17.498 1.00 0.00 C ATOM 1038 NH1 ARG A 87 14.963 4.800 -16.444 1.00 0.00 N ATOM 1039 NH2 ARG A 87 13.911 3.349 -17.730 1.00 0.00 N ATOM 0 H ARG A 87 15.922 9.540 -18.210 1.00 0.00 H new ATOM 0 HA ARG A 87 16.025 9.224 -21.113 1.00 0.00 H new ATOM 0 HB2 ARG A 87 13.776 8.344 -21.225 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.922 7.211 -20.535 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.154 8.858 -18.717 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.512 7.439 -19.520 1.00 0.00 H new ATOM 0 HD2 ARG A 87 15.110 7.198 -18.001 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.610 7.279 -17.098 1.00 0.00 H new ATOM 0 HE ARG A 87 13.314 5.295 -19.137 1.00 0.00 H new ATOM 0 HH11 ARG A 87 15.243 5.750 -16.201 1.00 0.00 H new ATOM 0 HH12 ARG A 87 15.256 4.017 -15.860 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.332 3.115 -18.537 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.237 2.612 -17.105 1.00 0.00 H new ATOM 1053 N GLN A 88 14.707 11.311 -21.314 1.00 0.00 N ATOM 1054 CA GLN A 88 14.136 12.654 -21.490 1.00 0.00 C ATOM 1055 C GLN A 88 12.616 12.698 -21.369 1.00 0.00 C ATOM 1056 O GLN A 88 12.071 13.785 -21.238 1.00 0.00 O ATOM 1057 CB GLN A 88 14.579 13.207 -22.853 1.00 0.00 C ATOM 1058 CG GLN A 88 14.069 12.426 -24.080 1.00 0.00 C ATOM 1059 CD GLN A 88 14.635 12.990 -25.384 1.00 0.00 C ATOM 1060 OE1 GLN A 88 15.604 12.489 -25.941 1.00 0.00 O ATOM 1061 NE2 GLN A 88 14.074 14.057 -25.917 1.00 0.00 N ATOM 0 H GLN A 88 15.037 10.902 -22.188 1.00 0.00 H new ATOM 0 HA GLN A 88 14.514 13.274 -20.677 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.241 14.240 -22.934 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.668 13.225 -22.882 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.349 11.377 -23.986 1.00 0.00 H new ATOM 0 HG3 GLN A 88 12.980 12.464 -24.109 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.266 14.487 -25.467 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.448 14.452 -26.780 1.00 0.00 H new ATOM 1070 N SER A 89 11.920 11.565 -21.432 1.00 0.00 N ATOM 1071 CA SER A 89 10.447 11.558 -21.388 1.00 0.00 C ATOM 1072 C SER A 89 9.788 10.330 -20.753 1.00 0.00 C ATOM 1073 O SER A 89 10.335 9.224 -20.736 1.00 0.00 O ATOM 1074 CB SER A 89 9.877 11.786 -22.796 1.00 0.00 C ATOM 1075 OG SER A 89 10.287 10.755 -23.686 1.00 0.00 O ATOM 0 H SER A 89 12.343 10.641 -21.513 1.00 0.00 H new ATOM 0 HA SER A 89 10.196 12.378 -20.715 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.788 11.820 -22.750 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.210 12.752 -23.175 1.00 0.00 H new ATOM 0 HG SER A 89 9.910 10.921 -24.575 1.00 0.00 H new ATOM 1081 N PHE A 90 8.591 10.575 -20.210 1.00 0.00 N ATOM 1082 CA PHE A 90 7.661 9.623 -19.587 1.00 0.00 C ATOM 1083 C PHE A 90 6.257 10.271 -19.489 1.00 0.00 C ATOM 1084 O PHE A 90 6.056 11.400 -19.946 1.00 0.00 O ATOM 1085 CB PHE A 90 8.200 9.195 -18.207 1.00 0.00 C ATOM 1086 CG PHE A 90 8.290 10.296 -17.171 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.380 11.187 -17.180 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.283 10.433 -16.198 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.444 12.228 -16.241 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.365 11.456 -15.240 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.450 12.351 -15.252 1.00 0.00 C ATOM 0 H PHE A 90 8.215 11.523 -20.193 1.00 0.00 H new ATOM 0 HA PHE A 90 7.574 8.723 -20.196 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.560 8.404 -17.816 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.192 8.765 -18.342 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.167 11.069 -17.910 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.446 9.750 -16.188 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.258 12.937 -16.277 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.593 11.556 -14.492 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.520 13.129 -14.506 1.00 0.00 H new ATOM 1101 N SER A 91 5.277 9.579 -18.899 1.00 0.00 N ATOM 1102 CA SER A 91 3.902 10.080 -18.724 1.00 0.00 C ATOM 1103 C SER A 91 3.371 9.844 -17.312 1.00 0.00 C ATOM 1104 O SER A 91 3.723 8.852 -16.673 1.00 0.00 O ATOM 1105 CB SER A 91 2.980 9.389 -19.732 1.00 0.00 C ATOM 1106 OG SER A 91 1.643 9.844 -19.584 1.00 0.00 O ATOM 0 H SER A 91 5.415 8.641 -18.523 1.00 0.00 H new ATOM 0 HA SER A 91 3.921 11.157 -18.892 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.327 9.588 -20.746 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.020 8.309 -19.588 1.00 0.00 H new ATOM 0 HG SER A 91 1.069 9.392 -20.238 1.00 0.00 H new ATOM 1112 N VAL A 92 2.441 10.684 -16.842 1.00 0.00 N ATOM 1113 CA VAL A 92 1.686 10.443 -15.605 1.00 0.00 C ATOM 1114 C VAL A 92 0.846 9.151 -15.687 1.00 0.00 C ATOM 1115 O VAL A 92 0.478 8.575 -14.663 1.00 0.00 O ATOM 1116 CB VAL A 92 0.808 11.663 -15.255 1.00 0.00 C ATOM 1117 CG1 VAL A 92 1.500 13.004 -15.521 1.00 0.00 C ATOM 1118 CG2 VAL A 92 -0.550 11.674 -15.965 1.00 0.00 C ATOM 0 H VAL A 92 2.189 11.554 -17.311 1.00 0.00 H new ATOM 0 HA VAL A 92 2.408 10.302 -14.800 1.00 0.00 H new ATOM 0 HB VAL A 92 0.641 11.549 -14.184 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.828 13.820 -15.254 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.408 13.070 -14.921 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.757 13.077 -16.578 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.109 12.562 -15.668 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.396 11.686 -17.044 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.112 10.782 -15.689 1.00 0.00 H new ATOM 1128 N LYS A 93 0.569 8.683 -16.918 1.00 0.00 N ATOM 1129 CA LYS A 93 -0.153 7.442 -17.254 1.00 0.00 C ATOM 1130 C LYS A 93 0.768 6.208 -17.339 1.00 0.00 C ATOM 1131 O LYS A 93 0.282 5.086 -17.474 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.916 7.653 -18.580 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.885 8.852 -18.551 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.488 9.141 -19.934 1.00 0.00 C ATOM 1135 CE LYS A 93 -3.373 10.396 -19.860 1.00 0.00 C ATOM 1136 NZ LYS A 93 -3.853 10.820 -21.205 1.00 0.00 N ATOM 0 H LYS A 93 0.860 9.191 -17.753 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.852 7.232 -16.445 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.195 7.798 -19.385 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.477 6.749 -18.814 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.687 8.652 -17.841 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.357 9.736 -18.194 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.693 9.287 -20.665 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.077 8.288 -20.270 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.229 10.198 -19.215 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.811 11.210 -19.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.446 11.669 -21.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.037 11.034 -21.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.412 10.054 -21.632 1.00 0.00 H new ATOM 1150 N ASP A 94 2.088 6.409 -17.267 1.00 0.00 N ATOM 1151 CA ASP A 94 3.132 5.377 -17.361 1.00 0.00 C ATOM 1152 C ASP A 94 4.299 5.708 -16.395 1.00 0.00 C ATOM 1153 O ASP A 94 5.362 6.164 -16.830 1.00 0.00 O ATOM 1154 CB ASP A 94 3.583 5.263 -18.829 1.00 0.00 C ATOM 1155 CG ASP A 94 4.635 4.160 -19.046 1.00 0.00 C ATOM 1156 OD1 ASP A 94 4.556 3.097 -18.383 1.00 0.00 O ATOM 1157 OD2 ASP A 94 5.521 4.331 -19.919 1.00 0.00 O ATOM 0 H ASP A 94 2.479 7.342 -17.135 1.00 0.00 H new ATOM 0 HA ASP A 94 2.744 4.406 -17.053 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.715 5.059 -19.456 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.994 6.219 -19.154 1.00 0.00 H new ATOM 1162 N PRO A 95 4.103 5.528 -15.070 1.00 0.00 N ATOM 1163 CA PRO A 95 5.023 6.008 -14.032 1.00 0.00 C ATOM 1164 C PRO A 95 6.318 5.200 -13.859 1.00 0.00 C ATOM 1165 O PRO A 95 7.228 5.667 -13.176 1.00 0.00 O ATOM 1166 CB PRO A 95 4.193 5.989 -12.745 1.00 0.00 C ATOM 1167 CG PRO A 95 3.223 4.833 -12.966 1.00 0.00 C ATOM 1168 CD PRO A 95 2.909 4.960 -14.455 1.00 0.00 C ATOM 0 HA PRO A 95 5.394 6.994 -14.312 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.818 5.827 -11.867 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.667 6.931 -12.592 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.674 3.870 -12.725 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.328 4.928 -12.351 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.672 3.988 -14.888 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.043 5.602 -14.618 1.00 0.00 H new ATOM 1176 N SER A 96 6.441 4.009 -14.453 1.00 0.00 N ATOM 1177 CA SER A 96 7.575 3.083 -14.254 1.00 0.00 C ATOM 1178 C SER A 96 8.992 3.701 -14.330 1.00 0.00 C ATOM 1179 O SER A 96 9.840 3.281 -13.542 1.00 0.00 O ATOM 1180 CB SER A 96 7.472 1.914 -15.245 1.00 0.00 C ATOM 1181 OG SER A 96 6.213 1.262 -15.131 1.00 0.00 O ATOM 0 H SER A 96 5.742 3.648 -15.102 1.00 0.00 H new ATOM 0 HA SER A 96 7.474 2.753 -13.220 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.605 2.282 -16.262 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.274 1.200 -15.057 1.00 0.00 H new ATOM 0 HG SER A 96 6.168 0.522 -15.772 1.00 0.00 H new ATOM 1187 N PRO A 97 9.292 4.720 -15.167 1.00 0.00 N ATOM 1188 CA PRO A 97 10.613 5.368 -15.208 1.00 0.00 C ATOM 1189 C PRO A 97 10.957 6.140 -13.934 1.00 0.00 C ATOM 1190 O PRO A 97 12.098 6.114 -13.477 1.00 0.00 O ATOM 1191 CB PRO A 97 10.570 6.322 -16.406 1.00 0.00 C ATOM 1192 CG PRO A 97 9.486 5.708 -17.274 1.00 0.00 C ATOM 1193 CD PRO A 97 8.478 5.222 -16.260 1.00 0.00 C ATOM 0 HA PRO A 97 11.388 4.607 -15.296 1.00 0.00 H new ATOM 0 HB2 PRO A 97 10.322 7.340 -16.106 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.528 6.367 -16.924 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.052 6.439 -17.957 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.871 4.891 -17.884 1.00 0.00 H new ATOM 0 HD2 PRO A 97 7.822 6.028 -15.931 1.00 0.00 H new ATOM 0 HD3 PRO A 97 7.840 4.441 -16.674 1.00 0.00 H new ATOM 1201 N LEU A 98 9.960 6.784 -13.318 1.00 0.00 N ATOM 1202 CA LEU A 98 10.120 7.417 -12.002 1.00 0.00 C ATOM 1203 C LEU A 98 10.435 6.343 -10.945 1.00 0.00 C ATOM 1204 O LEU A 98 11.335 6.487 -10.113 1.00 0.00 O ATOM 1205 CB LEU A 98 8.888 8.312 -11.700 1.00 0.00 C ATOM 1206 CG LEU A 98 7.768 7.792 -10.775 1.00 0.00 C ATOM 1207 CD1 LEU A 98 8.083 7.953 -9.285 1.00 0.00 C ATOM 1208 CD2 LEU A 98 6.469 8.548 -11.056 1.00 0.00 C ATOM 0 H LEU A 98 9.025 6.882 -13.713 1.00 0.00 H new ATOM 0 HA LEU A 98 10.975 8.093 -11.984 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.260 9.241 -11.269 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.429 8.565 -12.655 1.00 0.00 H new ATOM 0 HG LEU A 98 7.675 6.728 -10.991 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.253 7.567 -8.694 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.990 7.399 -9.043 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.231 9.008 -9.056 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.682 8.176 -10.400 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.621 9.612 -10.874 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.177 8.396 -12.095 1.00 0.00 H new ATOM 1220 N TYR A 99 9.767 5.196 -11.047 1.00 0.00 N ATOM 1221 CA TYR A 99 10.011 4.109 -10.101 1.00 0.00 C ATOM 1222 C TYR A 99 11.406 3.508 -10.296 1.00 0.00 C ATOM 1223 O TYR A 99 12.091 3.250 -9.313 1.00 0.00 O ATOM 1224 CB TYR A 99 8.872 3.085 -10.154 1.00 0.00 C ATOM 1225 CG TYR A 99 7.682 3.532 -9.326 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.736 4.415 -9.876 1.00 0.00 C ATOM 1227 CD2 TYR A 99 7.575 3.145 -7.976 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.713 4.956 -9.076 1.00 0.00 C ATOM 1229 CE2 TYR A 99 6.524 3.644 -7.182 1.00 0.00 C ATOM 1230 CZ TYR A 99 5.594 4.556 -7.725 1.00 0.00 C ATOM 1231 OH TYR A 99 4.590 5.036 -6.939 1.00 0.00 O ATOM 0 H TYR A 99 9.066 4.997 -11.760 1.00 0.00 H new ATOM 0 HA TYR A 99 10.010 4.506 -9.086 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.562 2.938 -11.189 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.230 2.122 -9.788 1.00 0.00 H new ATOM 0 HD1 TYR A 99 6.795 4.680 -10.921 1.00 0.00 H new ATOM 0 HD2 TYR A 99 8.299 2.466 -7.550 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.022 5.674 -9.492 1.00 0.00 H new ATOM 0 HE2 TYR A 99 6.430 3.327 -6.154 1.00 0.00 H new ATOM 0 HH TYR A 99 4.607 6.016 -6.948 1.00 0.00 H new ATOM 1241 N ASP A 100 11.903 3.422 -11.531 1.00 0.00 N ATOM 1242 CA ASP A 100 13.291 3.049 -11.834 1.00 0.00 C ATOM 1243 C ASP A 100 14.325 4.044 -11.287 1.00 0.00 C ATOM 1244 O ASP A 100 15.401 3.653 -10.840 1.00 0.00 O ATOM 1245 CB ASP A 100 13.452 2.955 -13.348 1.00 0.00 C ATOM 1246 CG ASP A 100 14.708 2.183 -13.791 1.00 0.00 C ATOM 1247 OD1 ASP A 100 15.136 1.234 -13.091 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.258 2.531 -14.865 1.00 0.00 O ATOM 0 H ASP A 100 11.346 3.612 -12.364 1.00 0.00 H new ATOM 0 HA ASP A 100 13.480 2.093 -11.345 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.571 2.470 -13.769 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.490 3.962 -13.763 1.00 0.00 H new ATOM 1253 N MET A 101 13.988 5.336 -11.278 1.00 0.00 N ATOM 1254 CA MET A 101 14.827 6.376 -10.659 1.00 0.00 C ATOM 1255 C MET A 101 14.787 6.367 -9.120 1.00 0.00 C ATOM 1256 O MET A 101 15.770 6.745 -8.489 1.00 0.00 O ATOM 1257 CB MET A 101 14.767 7.742 -11.364 1.00 0.00 C ATOM 1258 CG MET A 101 13.633 8.685 -10.984 1.00 0.00 C ATOM 1259 SD MET A 101 13.745 9.460 -9.355 1.00 0.00 S ATOM 1260 CE MET A 101 12.013 9.954 -9.198 1.00 0.00 C ATOM 0 H MET A 101 13.130 5.694 -11.697 1.00 0.00 H new ATOM 0 HA MET A 101 15.860 6.090 -10.856 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.709 8.258 -11.177 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.709 7.563 -12.438 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.578 9.474 -11.735 1.00 0.00 H new ATOM 0 HG3 MET A 101 12.696 8.131 -11.035 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.856 10.428 -8.229 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.762 10.658 -9.991 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.375 9.074 -9.279 1.00 0.00 H new ATOM 1270 N LEU A 102 13.689 5.927 -8.495 1.00 0.00 N ATOM 1271 CA LEU A 102 13.598 5.772 -7.045 1.00 0.00 C ATOM 1272 C LEU A 102 14.266 4.473 -6.588 1.00 0.00 C ATOM 1273 O LEU A 102 15.220 4.538 -5.830 1.00 0.00 O ATOM 1274 CB LEU A 102 12.129 5.813 -6.560 1.00 0.00 C ATOM 1275 CG LEU A 102 11.361 7.133 -6.753 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.966 7.015 -6.138 1.00 0.00 C ATOM 1277 CD2 LEU A 102 12.060 8.336 -6.122 1.00 0.00 C ATOM 0 H LEU A 102 12.834 5.668 -8.988 1.00 0.00 H new ATOM 0 HA LEU A 102 14.127 6.613 -6.598 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.581 5.025 -7.076 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.117 5.567 -5.498 1.00 0.00 H new ATOM 0 HG LEU A 102 11.310 7.301 -7.829 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.427 7.952 -6.277 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.421 6.206 -6.625 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.055 6.802 -5.073 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.466 9.234 -6.295 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.168 8.173 -5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.045 8.461 -6.571 1.00 0.00 H new ATOM 1289 N ARG A 103 13.866 3.315 -7.125 1.00 0.00 N ATOM 1290 CA ARG A 103 14.180 1.955 -6.639 1.00 0.00 C ATOM 1291 C ARG A 103 15.622 1.633 -6.221 1.00 0.00 C ATOM 1292 O ARG A 103 15.837 0.849 -5.298 1.00 0.00 O ATOM 1293 CB ARG A 103 13.599 0.939 -7.645 1.00 0.00 C ATOM 1294 CG ARG A 103 14.234 0.885 -9.041 1.00 0.00 C ATOM 1295 CD ARG A 103 15.430 -0.055 -9.198 1.00 0.00 C ATOM 1296 NE ARG A 103 15.945 0.012 -10.579 1.00 0.00 N ATOM 1297 CZ ARG A 103 16.966 -0.636 -11.101 1.00 0.00 C ATOM 1298 NH1 ARG A 103 17.715 -1.453 -10.416 1.00 0.00 N ATOM 1299 NH2 ARG A 103 17.231 -0.448 -12.357 1.00 0.00 N ATOM 0 H ARG A 103 13.280 3.294 -7.960 1.00 0.00 H new ATOM 0 HA ARG A 103 13.698 1.883 -5.664 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.674 -0.054 -7.202 1.00 0.00 H new ATOM 0 HB3 ARG A 103 12.537 1.154 -7.766 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.467 0.587 -9.756 1.00 0.00 H new ATOM 0 HG3 ARG A 103 14.550 1.892 -9.314 1.00 0.00 H new ATOM 0 HD2 ARG A 103 16.215 0.221 -8.494 1.00 0.00 H new ATOM 0 HD3 ARG A 103 15.134 -1.077 -8.960 1.00 0.00 H new ATOM 0 HE ARG A 103 15.447 0.640 -11.210 1.00 0.00 H new ATOM 0 HH11 ARG A 103 17.522 -1.615 -9.428 1.00 0.00 H new ATOM 0 HH12 ARG A 103 18.495 -1.931 -10.868 1.00 0.00 H new ATOM 0 HH21 ARG A 103 16.655 0.187 -12.910 1.00 0.00 H new ATOM 0 HH22 ARG A 103 18.015 -0.935 -12.791 1.00 0.00 H new ATOM 1313 N LYS A 104 16.598 2.238 -6.900 1.00 0.00 N ATOM 1314 CA LYS A 104 18.050 2.098 -6.681 1.00 0.00 C ATOM 1315 C LYS A 104 18.709 3.198 -5.814 1.00 0.00 C ATOM 1316 O LYS A 104 19.824 3.008 -5.333 1.00 0.00 O ATOM 1317 CB LYS A 104 18.729 1.940 -8.060 1.00 0.00 C ATOM 1318 CG LYS A 104 18.278 2.869 -9.209 1.00 0.00 C ATOM 1319 CD LYS A 104 18.090 4.326 -8.762 1.00 0.00 C ATOM 1320 CE LYS A 104 18.114 5.385 -9.849 1.00 0.00 C ATOM 1321 NZ LYS A 104 19.482 5.665 -10.377 1.00 0.00 N ATOM 0 H LYS A 104 16.390 2.879 -7.665 1.00 0.00 H new ATOM 0 HA LYS A 104 18.201 1.207 -6.072 1.00 0.00 H new ATOM 0 HB2 LYS A 104 19.801 2.080 -7.921 1.00 0.00 H new ATOM 0 HB3 LYS A 104 18.582 0.911 -8.387 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.017 2.833 -10.010 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.341 2.498 -9.623 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.138 4.400 -8.237 1.00 0.00 H new ATOM 0 HD3 LYS A 104 18.871 4.563 -8.040 1.00 0.00 H new ATOM 0 HE2 LYS A 104 17.474 5.065 -10.671 1.00 0.00 H new ATOM 0 HE3 LYS A 104 17.689 6.308 -9.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 19.408 6.179 -11.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 20.007 6.244 -9.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.985 4.768 -10.530 1.00 0.00 H new ATOM 1335 N ASN A 105 18.050 4.351 -5.636 1.00 0.00 N ATOM 1336 CA ASN A 105 18.556 5.534 -4.906 1.00 0.00 C ATOM 1337 C ASN A 105 17.818 5.718 -3.583 1.00 0.00 C ATOM 1338 O ASN A 105 18.425 5.958 -2.542 1.00 0.00 O ATOM 1339 CB ASN A 105 18.376 6.790 -5.770 1.00 0.00 C ATOM 1340 CG ASN A 105 19.594 7.078 -6.627 1.00 0.00 C ATOM 1341 OD1 ASN A 105 19.552 7.106 -7.844 1.00 0.00 O ATOM 1342 ND2 ASN A 105 20.737 7.261 -6.013 1.00 0.00 N ATOM 0 H ASN A 105 17.112 4.497 -6.009 1.00 0.00 H new ATOM 0 HA ASN A 105 19.614 5.378 -4.694 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.504 6.665 -6.412 1.00 0.00 H new ATOM 0 HB3 ASN A 105 18.177 7.646 -5.126 1.00 0.00 H new ATOM 0 HD21 ASN A 105 21.586 7.426 -6.554 1.00 0.00 H new ATOM 0 HD22 ASN A 105 20.778 7.239 -4.994 1.00 0.00 H new ATOM 1349 N LEU A 106 16.494 5.619 -3.663 1.00 0.00 N ATOM 1350 CA LEU A 106 15.579 5.654 -2.534 1.00 0.00 C ATOM 1351 C LEU A 106 14.993 4.256 -2.276 1.00 0.00 C ATOM 1352 O LEU A 106 14.388 3.642 -3.154 1.00 0.00 O ATOM 1353 CB LEU A 106 14.509 6.713 -2.840 1.00 0.00 C ATOM 1354 CG LEU A 106 13.362 6.724 -1.828 1.00 0.00 C ATOM 1355 CD1 LEU A 106 13.796 7.139 -0.420 1.00 0.00 C ATOM 1356 CD2 LEU A 106 12.264 7.684 -2.257 1.00 0.00 C ATOM 0 H LEU A 106 16.013 5.508 -4.555 1.00 0.00 H new ATOM 0 HA LEU A 106 16.090 5.932 -1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.977 7.697 -2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.104 6.533 -3.836 1.00 0.00 H new ATOM 0 HG LEU A 106 13.004 5.695 -1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.933 7.125 0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.550 6.443 -0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.215 8.145 -0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.461 7.672 -1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.671 8.692 -2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.871 7.377 -3.226 1.00 0.00 H new